diff --git a/biobb_wf_md_setup/python/workflow.py b/biobb_wf_md_setup/python/workflow.py index 49d1aa1..9a7959d 100644 --- a/biobb_wf_md_setup/python/workflow.py +++ b/biobb_wf_md_setup/python/workflow.py @@ -25,7 +25,6 @@ def main(config, system=None): start_time = time.time() conf = settings.ConfReader(config, system) - print(conf.properties) global_log, _ = fu.get_logs(path=conf.get_working_dir_path(), light_format=True) global_prop = conf.get_prop_dic(global_log=global_log) global_paths = conf.get_paths_dic() @@ -105,7 +104,7 @@ def main(config, system=None): global_log.info("step23_rmsd_exp: Generate RMSd (against exp.) plot for the resulting setup trajectory from the free md step") gmx_rms(**global_paths["step23_rmsd_exp"], properties=global_prop["step23_rmsd_exp"]) - if conf.properties['run_md']: + if conf.properties['global_properties']['run_md']: global_log.info("step24_grompp_md: Preprocess long MD simulation after setup") grompp(**global_paths["step24_grompp_md"], properties=global_prop["step24_grompp_md"]) diff --git a/biobb_wf_md_setup/tests/python/ions.pdb b/biobb_wf_md_setup/tests/python/ions.pdb new file mode 100644 index 0000000..a6fc82e --- /dev/null +++ b/biobb_wf_md_setup/tests/python/ions.pdb @@ -0,0 +1 @@ +TER \ No newline at end of file diff --git a/biobb_wf_md_setup/tests/python/reference/step00_cat_pdb/protein.ions.pdb b/biobb_wf_md_setup/tests/python/reference/step00_cat_pdb/protein.ions.pdb new file mode 100644 index 0000000..93c655c --- /dev/null +++ b/biobb_wf_md_setup/tests/python/reference/step00_cat_pdb/protein.ions.pdb @@ -0,0 +1,1003 @@ +ATOM 1 N LYS A 1 35.365 22.342 -11.980 1.00 22.28 N +ATOM 2 CA LYS A 1 35.892 21.073 -11.427 1.00 21.12 C +ATOM 3 C LYS A 1 34.741 20.264 -10.844 1.00 16.85 C +ATOM 4 O LYS A 1 33.945 20.813 -10.081 1.00 18.94 O +ATOM 5 CB LYS A 1 36.872 21.435 -10.306 1.00 20.78 C +ATOM 6 CG LYS A 1 37.453 20.248 -9.565 1.00 18.47 C +ATOM 7 CD LYS A 1 38.688 20.649 -8.775 1.00 20.32 C +ATOM 8 CE LYS A 1 39.057 19.508 -7.837 1.00 24.76 C +ATOM 9 NZ LYS A 1 40.423 19.771 -7.299 1.00 28.27 N +ATOM 10 N VAL A 2 34.739 18.961 -11.042 1.00 19.96 N +ATOM 11 CA VAL A 2 33.903 17.998 -10.333 1.00 18.10 C +ATOM 12 C VAL A 2 34.800 17.312 -9.294 1.00 19.39 C +ATOM 13 O VAL A 2 35.759 16.605 -9.665 1.00 22.14 O +ATOM 14 CB VAL A 2 33.140 17.034 -11.232 1.00 16.81 C +ATOM 15 CG1 VAL A 2 32.251 16.084 -10.434 1.00 21.92 C +ATOM 16 CG2 VAL A 2 32.294 17.714 -12.290 1.00 19.46 C +ATOM 17 N PHE A 3 34.491 17.546 -8.038 1.00 19.89 N +ATOM 18 CA PHE A 3 35.185 16.903 -6.918 1.00 17.43 C +ATOM 19 C PHE A 3 34.742 15.441 -6.771 1.00 15.70 C +ATOM 20 O PHE A 3 33.525 15.162 -6.862 1.00 18.52 O +ATOM 21 CB PHE A 3 34.967 17.632 -5.594 1.00 17.94 C +ATOM 22 CG PHE A 3 35.944 18.737 -5.375 1.00 16.78 C +ATOM 23 CD1 PHE A 3 35.666 20.050 -5.798 1.00 15.97 C +ATOM 24 CD2 PHE A 3 37.000 18.557 -4.473 1.00 19.95 C +ATOM 25 CE1 PHE A 3 36.577 21.076 -5.568 1.00 17.32 C +ATOM 26 CE2 PHE A 3 37.869 19.589 -4.157 1.00 17.65 C +ATOM 27 CZ PHE A 3 37.636 20.873 -4.666 1.00 17.91 C +ATOM 28 N GLY A 4 35.724 14.639 -6.331 1.00 16.79 N +ATOM 29 CA GLY A 4 35.366 13.280 -5.870 1.00 16.34 C +ATOM 30 C GLY A 4 34.924 13.420 -4.415 1.00 11.91 C +ATOM 31 O GLY A 4 35.303 14.403 -3.781 1.00 16.23 O +ATOM 32 N ARG A 5 34.053 12.538 -3.973 1.00 14.65 N +ATOM 33 CA ARG A 5 33.565 12.538 -2.588 1.00 15.91 C +ATOM 34 C ARG A 5 34.665 12.734 -1.556 1.00 15.38 C +ATOM 35 O ARG A 5 34.669 13.651 -0.704 1.00 13.15 O +ATOM 36 CB ARG A 5 32.765 11.262 -2.331 1.00 17.38 C +ATOM 37 CG ARG A 5 32.213 11.203 -0.920 1.00 13.79 C +ATOM 38 CD ARG A 5 31.375 10.001 -0.722 1.00 15.84 C +ATOM 39 NE ARG A 5 32.059 8.749 -0.958 1.00 18.74 N +ATOM 40 CZ ARG A 5 32.733 8.011 -0.097 1.00 15.19 C +ATOM 41 NH1 ARG A 5 32.836 8.332 1.187 1.00 17.50 N +ATOM 42 NH2 ARG A 5 33.245 6.836 -0.526 1.00 23.44 N +ATOM 43 N CYS A 6 35.674 11.853 -1.612 1.00 14.07 N +ATOM 44 CA CYS A 6 36.781 11.870 -0.654 1.00 14.62 C +ATOM 45 C CYS A 6 37.747 13.050 -0.777 1.00 10.99 C +ATOM 46 O CYS A 6 38.148 13.609 0.264 1.00 16.34 O +ATOM 47 CB CYS A 6 37.491 10.532 -0.621 1.00 16.90 C +ATOM 48 SG CYS A 6 36.540 9.205 0.140 1.00 18.61 S +ATOM 49 N GLU A 7 37.861 13.481 -2.019 1.00 14.24 N +ATOM 50 CA GLU A 7 38.685 14.686 -2.311 1.00 13.83 C +ATOM 51 C GLU A 7 38.049 15.926 -1.658 1.00 14.86 C +ATOM 52 O GLU A 7 38.744 16.729 -1.011 1.00 15.01 O +ATOM 53 CB GLU A 7 38.784 14.846 -3.818 1.00 14.85 C +ATOM 54 CG GLU A 7 39.540 16.051 -4.379 1.00 18.50 C +ATOM 55 CD GLU A 7 39.576 16.242 -5.870 1.00 20.16 C +ATOM 56 OE1 GLU A 7 38.672 15.644 -6.491 1.00 26.20 O +ATOM 57 OE2 GLU A 7 40.415 16.953 -6.381 1.00 25.49 O +ATOM 58 N LEU A 8 36.743 16.049 -1.819 1.00 15.18 N +ATOM 59 CA LEU A 8 35.964 17.158 -1.255 1.00 12.72 C +ATOM 60 C LEU A 8 36.051 17.132 0.266 1.00 9.45 C +ATOM 61 O LEU A 8 36.159 18.166 0.920 1.00 13.45 O +ATOM 62 CB LEU A 8 34.528 17.172 -1.811 1.00 14.31 C +ATOM 63 CG LEU A 8 33.718 18.354 -1.305 1.00 15.95 C +ATOM 64 CD1 LEU A 8 34.297 19.656 -1.841 1.00 16.56 C +ATOM 65 CD2 LEU A 8 32.246 18.143 -1.596 1.00 15.88 C +ATOM 66 N ALA A 9 35.754 15.980 0.828 1.00 14.24 N +ATOM 67 CA ALA A 9 35.838 15.757 2.284 1.00 13.25 C +ATOM 68 C ALA A 9 37.144 16.314 2.840 1.00 12.89 C +ATOM 69 O ALA A 9 37.151 16.978 3.897 1.00 14.78 O +ATOM 70 CB ALA A 9 35.656 14.287 2.623 1.00 13.89 C +ATOM 71 N ALA A 10 38.272 15.983 2.204 1.00 12.54 N +ATOM 72 CA ALA A 10 39.610 16.431 2.616 1.00 16.58 C +ATOM 73 C ALA A 10 39.736 17.944 2.459 1.00 15.35 C +ATOM 74 O ALA A 10 40.193 18.499 3.469 1.00 17.40 O +ATOM 75 CB ALA A 10 40.708 15.706 1.842 1.00 15.49 C +ATOM 76 N ALA A 11 39.227 18.519 1.385 1.00 13.54 N +ATOM 77 CA ALA A 11 39.264 19.982 1.223 1.00 15.23 C +ATOM 78 C ALA A 11 38.491 20.702 2.321 1.00 15.68 C +ATOM 79 O ALA A 11 38.946 21.658 2.953 1.00 16.87 O +ATOM 80 CB ALA A 11 38.869 20.421 -0.175 1.00 14.12 C +ATOM 81 N MET A 12 37.288 20.214 2.590 1.00 15.47 N +ATOM 82 CA MET A 12 36.398 20.781 3.612 1.00 13.69 C +ATOM 83 C MET A 12 36.990 20.715 5.007 1.00 12.55 C +ATOM 84 O MET A 12 36.906 21.637 5.840 1.00 17.69 O +ATOM 85 CB MET A 12 34.993 20.213 3.515 1.00 11.18 C +ATOM 86 CG MET A 12 34.320 20.724 2.265 1.00 15.06 C +ATOM 87 SD MET A 12 32.634 19.986 2.235 1.00 17.81 S +ATOM 88 CE MET A 12 31.788 21.135 1.138 1.00 18.08 C +ATOM 89 N LYS A 13 37.688 19.628 5.314 1.00 12.42 N +ATOM 90 CA LYS A 13 38.387 19.385 6.579 1.00 14.58 C +ATOM 91 C LYS A 13 39.460 20.467 6.731 1.00 14.55 C +ATOM 92 O LYS A 13 39.507 21.137 7.776 1.00 16.49 O +ATOM 93 CB LYS A 13 38.934 17.952 6.572 1.00 15.36 C +ATOM 94 CG LYS A 13 39.742 17.555 7.798 1.00 20.46 C +ATOM 95 CD LYS A 13 38.973 16.777 8.834 1.00 23.53 C +ATOM 96 CE LYS A 13 39.293 15.305 8.751 1.00 26.37 C +ATOM 97 NZ LYS A 13 38.077 14.461 8.946 1.00 30.88 N +ATOM 98 N ARG A 14 40.267 20.629 5.688 1.00 18.91 N +ATOM 99 CA ARG A 14 41.387 21.577 5.713 1.00 17.66 C +ATOM 100 C ARG A 14 40.927 23.017 5.881 1.00 16.78 C +ATOM 101 O ARG A 14 41.557 23.834 6.584 1.00 20.06 O +ATOM 102 CB ARG A 14 42.388 21.351 4.601 1.00 20.89 C +ATOM 103 CG ARG A 14 42.173 22.079 3.289 1.00 25.07 C +ATOM 104 CD ARG A 14 43.444 22.075 2.490 1.00 23.98 C +ATOM 105 NE ARG A 14 43.687 20.710 2.012 1.00 31.92 N +ATOM 106 CZ ARG A 14 43.098 20.255 0.892 1.00 26.04 C +ATOM 107 NH1 ARG A 14 42.695 21.186 0.018 1.00 33.46 N +ATOM 108 NH2 ARG A 14 42.949 18.957 0.689 1.00 25.91 N +ATOM 109 N HIS A 15 39.681 23.247 5.463 1.00 17.84 N +ATOM 110 CA HIS A 15 39.075 24.591 5.526 1.00 15.99 C +ATOM 111 C HIS A 15 38.310 24.861 6.814 1.00 17.70 C +ATOM 112 O HIS A 15 37.608 25.875 6.952 1.00 22.68 O +ATOM 113 CB HIS A 15 38.223 24.918 4.285 1.00 19.19 C +ATOM 114 CG HIS A 15 39.085 25.388 3.171 1.00 20.14 C +ATOM 115 ND1 HIS A 15 39.457 24.635 2.091 1.00 24.53 N +ATOM 116 CD2 HIS A 15 39.739 26.570 2.993 1.00 24.44 C +ATOM 117 CE1 HIS A 15 40.211 25.312 1.258 1.00 20.68 C +ATOM 118 NE2 HIS A 15 40.524 26.419 1.889 1.00 27.34 N +ATOM 119 N GLY A 16 38.296 23.927 7.720 1.00 17.50 N +ATOM 120 CA GLY A 16 37.765 24.025 9.072 1.00 18.71 C +ATOM 121 C GLY A 16 36.264 23.799 9.210 1.00 18.40 C +ATOM 122 O GLY A 16 35.646 24.400 10.127 1.00 21.57 O +ATOM 123 N LEU A 17 35.665 23.073 8.274 1.00 17.56 N +ATOM 124 CA LEU A 17 34.238 22.795 8.298 1.00 15.38 C +ATOM 125 C LEU A 17 33.845 21.682 9.266 1.00 18.28 C +ATOM 126 O LEU A 17 32.643 21.594 9.552 1.00 18.24 O +ATOM 127 CB LEU A 17 33.648 22.647 6.901 1.00 15.02 C +ATOM 128 CG LEU A 17 33.451 23.889 6.060 1.00 16.08 C +ATOM 129 CD1 LEU A 17 32.933 23.420 4.705 1.00 13.83 C +ATOM 130 CD2 LEU A 17 32.556 24.946 6.679 1.00 18.60 C +ATOM 131 N ASP A 18 34.785 20.814 9.605 1.00 16.36 N +ATOM 132 CA ASP A 18 34.492 19.722 10.526 1.00 16.25 C +ATOM 133 C ASP A 18 34.015 20.222 11.901 1.00 17.32 C +ATOM 134 O ASP A 18 34.826 20.778 12.658 1.00 20.27 O +ATOM 135 CB ASP A 18 35.557 18.633 10.598 1.00 19.37 C +ATOM 136 CG ASP A 18 35.017 17.408 11.311 1.00 20.25 C +ATOM 137 OD1 ASP A 18 33.805 17.154 11.455 1.00 21.00 O +ATOM 138 OD2 ASP A 18 35.925 16.603 11.662 1.00 27.06 O +ATOM 139 N ASN A 19 32.746 19.990 12.205 1.00 18.55 N +ATOM 140 CA ASN A 19 32.123 20.431 13.448 1.00 17.19 C +ATOM 141 C ASN A 19 31.854 21.941 13.497 1.00 16.61 C +ATOM 142 O ASN A 19 31.426 22.398 14.573 1.00 18.56 O +ATOM 143 CB ASN A 19 32.767 20.004 14.770 1.00 18.92 C +ATOM 144 CG ASN A 19 32.162 20.512 16.064 1.00 24.64 C +ATOM 145 OD1 ASN A 19 30.967 20.273 16.355 1.00 32.53 O +ATOM 146 ND2 ASN A 19 32.847 21.361 16.852 1.00 24.14 N +ATOM 147 N TYR A 20 31.969 22.650 12.406 1.00 16.84 N +ATOM 148 CA TYR A 20 31.707 24.099 12.411 1.00 15.54 C +ATOM 149 C TYR A 20 30.231 24.343 12.759 1.00 15.81 C +ATOM 150 O TYR A 20 29.288 23.874 12.118 1.00 16.89 O +ATOM 151 CB TYR A 20 32.070 24.736 11.066 1.00 18.16 C +ATOM 152 CG TYR A 20 32.061 26.250 11.144 1.00 20.28 C +ATOM 153 CD1 TYR A 20 33.141 26.886 11.760 1.00 21.42 C +ATOM 154 CD2 TYR A 20 30.979 27.004 10.691 1.00 20.44 C +ATOM 155 CE1 TYR A 20 33.206 28.277 11.794 1.00 22.24 C +ATOM 156 CE2 TYR A 20 31.018 28.399 10.779 1.00 21.36 C +ATOM 157 CZ TYR A 20 32.102 29.017 11.383 1.00 19.38 C +ATOM 158 OH TYR A 20 32.136 30.371 11.525 1.00 26.77 O +ATOM 159 N ARG A 21 30.088 25.142 13.803 1.00 18.43 N +ATOM 160 CA ARG A 21 28.774 25.553 14.319 1.00 15.68 C +ATOM 161 C ARG A 21 27.964 24.312 14.623 1.00 15.17 C +ATOM 162 O ARG A 21 26.733 24.333 14.606 1.00 18.36 O +ATOM 163 CB ARG A 21 28.014 26.565 13.453 1.00 19.21 C +ATOM 164 CG ARG A 21 28.507 27.995 13.535 1.00 21.50 C +ATOM 165 CD ARG A 21 28.110 28.755 14.765 1.00 25.00 C +ATOM 166 NE ARG A 21 29.319 29.321 15.324 1.00 30.37 N +ATOM 167 CZ ARG A 21 30.215 30.234 14.978 1.00 29.02 C +ATOM 168 NH1 ARG A 21 31.501 29.856 14.846 1.00 29.04 N +ATOM 169 NH2 ARG A 21 29.938 31.437 14.495 1.00 31.89 N +ATOM 170 N GLY A 22 28.689 23.250 14.998 1.00 17.81 N +ATOM 171 CA GLY A 22 28.103 22.021 15.519 1.00 17.72 C +ATOM 172 C GLY A 22 27.748 21.018 14.436 1.00 18.89 C +ATOM 173 O GLY A 22 27.085 20.022 14.784 1.00 23.26 O +ATOM 174 N TYR A 23 28.209 21.230 13.216 1.00 18.20 N +ATOM 175 CA TYR A 23 27.887 20.318 12.111 1.00 15.42 C +ATOM 176 C TYR A 23 29.124 19.533 11.628 1.00 16.30 C +ATOM 177 O TYR A 23 30.045 20.191 11.139 1.00 16.66 O +ATOM 178 CB TYR A 23 27.351 21.107 10.913 1.00 15.82 C +ATOM 179 CG TYR A 23 26.001 21.745 11.127 1.00 15.96 C +ATOM 180 CD1 TYR A 23 24.846 20.962 11.139 1.00 14.81 C +ATOM 181 CD2 TYR A 23 25.897 23.096 11.458 1.00 16.60 C +ATOM 182 CE1 TYR A 23 23.600 21.518 11.422 1.00 17.08 C +ATOM 183 CE2 TYR A 23 24.647 23.673 11.726 1.00 19.34 C +ATOM 184 CZ TYR A 23 23.518 22.881 11.701 1.00 19.21 C +ATOM 185 OH TYR A 23 22.289 23.438 11.912 1.00 25.61 O +ATOM 186 N SER A 24 29.029 18.223 11.810 1.00 15.35 N +ATOM 187 CA SER A 24 30.143 17.347 11.414 1.00 16.89 C +ATOM 188 C SER A 24 30.359 17.379 9.895 1.00 15.61 C +ATOM 189 O SER A 24 29.442 17.687 9.139 1.00 13.88 O +ATOM 190 CB SER A 24 29.922 15.934 11.907 1.00 17.54 C +ATOM 191 OG SER A 24 28.799 15.336 11.308 1.00 19.85 O +ATOM 192 N LEU A 25 31.593 17.028 9.540 1.00 16.08 N +ATOM 193 CA LEU A 25 32.035 17.092 8.138 1.00 13.16 C +ATOM 194 C LEU A 25 31.030 16.437 7.183 1.00 13.39 C +ATOM 195 O LEU A 25 30.874 16.924 6.056 1.00 15.34 O +ATOM 196 CB LEU A 25 33.410 16.409 8.084 1.00 13.47 C +ATOM 197 CG LEU A 25 34.015 16.477 6.689 1.00 12.91 C +ATOM 198 CD1 LEU A 25 34.174 17.929 6.289 1.00 13.04 C +ATOM 199 CD2 LEU A 25 35.398 15.810 6.752 1.00 14.54 C +ATOM 200 N GLY A 26 30.501 15.280 7.576 1.00 13.10 N +ATOM 201 CA GLY A 26 29.539 14.561 6.756 1.00 13.88 C +ATOM 202 C GLY A 26 28.338 15.378 6.277 1.00 12.12 C +ATOM 203 O GLY A 26 27.886 15.250 5.120 1.00 13.13 O +ATOM 204 N ASN A 27 27.905 16.281 7.161 1.00 12.16 N +ATOM 205 CA ASN A 27 26.827 17.227 6.857 1.00 14.74 C +ATOM 206 C ASN A 27 27.164 18.015 5.597 1.00 15.43 C +ATOM 207 O ASN A 27 26.317 18.208 4.720 1.00 15.27 O +ATOM 208 CB ASN A 27 26.484 18.126 8.054 1.00 12.34 C +ATOM 209 CG ASN A 27 25.681 17.267 9.048 1.00 12.22 C +ATOM 210 OD1 ASN A 27 24.511 16.933 8.820 1.00 17.40 O +ATOM 211 ND2 ASN A 27 26.348 17.052 10.169 1.00 18.27 N +ATOM 212 N TRP A 28 28.344 18.591 5.583 1.00 16.78 N +ATOM 213 CA TRP A 28 28.831 19.475 4.513 1.00 16.49 C +ATOM 214 C TRP A 28 28.940 18.741 3.183 1.00 12.99 C +ATOM 215 O TRP A 28 28.742 19.321 2.090 1.00 13.97 O +ATOM 216 CB TRP A 28 30.104 20.145 5.023 1.00 14.55 C +ATOM 217 CG TRP A 28 29.941 20.978 6.251 1.00 11.93 C +ATOM 218 CD1 TRP A 28 30.176 20.624 7.546 1.00 14.42 C +ATOM 219 CD2 TRP A 28 29.319 22.284 6.287 1.00 13.11 C +ATOM 220 NE1 TRP A 28 29.924 21.690 8.365 1.00 16.94 N +ATOM 221 CE2 TRP A 28 29.337 22.679 7.641 1.00 14.07 C +ATOM 222 CE3 TRP A 28 28.894 23.168 5.295 1.00 15.97 C +ATOM 223 CZ2 TRP A 28 28.913 23.943 8.038 1.00 18.07 C +ATOM 224 CZ3 TRP A 28 28.398 24.404 5.682 1.00 18.26 C +ATOM 225 CH2 TRP A 28 28.431 24.766 7.025 1.00 17.18 C +ATOM 226 N VAL A 29 29.572 17.543 3.261 1.00 13.00 N +ATOM 227 CA VAL A 29 29.729 16.711 2.047 1.00 14.15 C +ATOM 228 C VAL A 29 28.379 16.340 1.429 1.00 10.43 C +ATOM 229 O VAL A 29 28.166 16.496 0.228 1.00 13.40 O +ATOM 230 CB VAL A 29 30.649 15.492 2.359 1.00 12.76 C +ATOM 231 CG1 VAL A 29 30.782 14.596 1.136 1.00 15.37 C +ATOM 232 CG2 VAL A 29 32.010 16.050 2.772 1.00 14.18 C +ATOM 233 N CYS A 30 27.501 15.906 2.299 1.00 15.32 N +ATOM 234 CA CYS A 30 26.115 15.567 1.991 1.00 15.59 C +ATOM 235 C CYS A 30 25.388 16.723 1.302 1.00 12.37 C +ATOM 236 O CYS A 30 24.894 16.516 0.172 1.00 14.44 O +ATOM 237 CB CYS A 30 25.343 15.046 3.172 1.00 14.99 C +ATOM 238 SG CYS A 30 23.719 14.376 2.695 1.00 17.71 S +ATOM 239 N ALA A 31 25.533 17.913 1.870 1.00 16.06 N +ATOM 240 CA ALA A 31 24.949 19.130 1.305 1.00 15.82 C +ATOM 241 C ALA A 31 25.487 19.354 -0.115 1.00 15.34 C +ATOM 242 O ALA A 31 24.675 19.686 -0.998 1.00 16.00 O +ATOM 243 CB ALA A 31 25.167 20.335 2.200 1.00 14.90 C +ATOM 244 N ALA A 32 26.807 19.354 -0.286 1.00 11.93 N +ATOM 245 CA ALA A 32 27.461 19.536 -1.579 1.00 13.08 C +ATOM 246 C ALA A 32 26.943 18.538 -2.620 1.00 12.38 C +ATOM 247 O ALA A 32 26.767 18.857 -3.789 1.00 13.89 O +ATOM 248 CB ALA A 32 28.982 19.476 -1.398 1.00 14.17 C +ATOM 249 N LYS A 33 26.731 17.303 -2.193 1.00 15.16 N +ATOM 250 CA LYS A 33 26.261 16.216 -3.037 1.00 16.16 C +ATOM 251 C LYS A 33 24.903 16.555 -3.658 1.00 15.04 C +ATOM 252 O LYS A 33 24.806 16.511 -4.890 1.00 15.00 O +ATOM 253 CB LYS A 33 26.221 14.860 -2.351 1.00 16.71 C +ATOM 254 CG LYS A 33 25.697 13.696 -3.185 1.00 19.51 C +ATOM 255 CD LYS A 33 26.498 13.400 -4.446 1.00 17.12 C +ATOM 256 CE LYS A 33 25.686 12.464 -5.331 1.00 24.06 C +ATOM 257 NZ LYS A 33 26.423 11.979 -6.525 1.00 26.78 N +ATOM 258 N PHE A 34 23.972 16.946 -2.817 1.00 16.81 N +ATOM 259 CA PHE A 34 22.569 17.125 -3.247 1.00 17.51 C +ATOM 260 C PHE A 34 22.346 18.506 -3.836 1.00 18.19 C +ATOM 261 O PHE A 34 21.504 18.692 -4.759 1.00 20.21 O +ATOM 262 CB PHE A 34 21.626 16.673 -2.130 1.00 18.58 C +ATOM 263 CG PHE A 34 21.644 15.172 -1.965 1.00 22.22 C +ATOM 264 CD1 PHE A 34 21.209 14.353 -3.007 1.00 20.24 C +ATOM 265 CD2 PHE A 34 22.272 14.627 -0.851 1.00 20.00 C +ATOM 266 CE1 PHE A 34 21.372 12.961 -2.910 1.00 22.03 C +ATOM 267 CE2 PHE A 34 22.443 13.245 -0.743 1.00 21.96 C +ATOM 268 CZ PHE A 34 21.923 12.406 -1.737 1.00 20.77 C +ATOM 269 N GLU A 35 23.251 19.415 -3.451 1.00 15.27 N +ATOM 270 CA GLU A 35 23.178 20.789 -3.996 1.00 15.45 C +ATOM 271 C GLU A 35 23.661 20.944 -5.423 1.00 17.45 C +ATOM 272 O GLU A 35 23.014 21.514 -6.310 1.00 17.91 O +ATOM 273 CB GLU A 35 23.698 21.892 -3.107 1.00 14.42 C +ATOM 274 CG GLU A 35 22.994 22.212 -1.809 1.00 11.08 C +ATOM 275 CD GLU A 35 21.631 22.846 -1.864 1.00 13.55 C +ATOM 276 OE1 GLU A 35 21.408 23.360 -2.981 1.00 20.77 O +ATOM 277 OE2 GLU A 35 20.947 23.032 -0.874 1.00 22.72 O +ATOM 278 N SER A 36 24.867 20.483 -5.674 1.00 15.66 N +ATOM 279 CA SER A 36 25.626 20.615 -6.903 1.00 17.79 C +ATOM 280 C SER A 36 26.139 19.341 -7.569 1.00 16.97 C +ATOM 281 O SER A 36 26.750 19.464 -8.642 1.00 21.78 O +ATOM 282 CB SER A 36 26.830 21.528 -6.654 1.00 18.12 C +ATOM 283 OG SER A 36 27.747 20.951 -5.748 1.00 15.16 O +ATOM 284 N ASN A 37 25.957 18.222 -6.927 1.00 20.15 N +ATOM 285 CA ASN A 37 26.628 16.968 -7.297 1.00 20.85 C +ATOM 286 C ASN A 37 28.149 17.091 -7.302 1.00 19.72 C +ATOM 287 O ASN A 37 28.813 16.627 -8.254 1.00 20.79 O +ATOM 288 CB ASN A 37 26.028 16.490 -8.617 1.00 20.82 C +ATOM 289 CG ASN A 37 26.156 14.980 -8.782 1.00 23.63 C +ATOM 290 OD1 ASN A 37 26.640 14.266 -7.885 1.00 28.05 O +ATOM 291 ND2 ASN A 37 25.867 14.506 -9.990 1.00 29.61 N +ATOM 292 N PHE A 38 28.691 17.882 -6.383 1.00 16.12 N +ATOM 293 CA PHE A 38 30.129 18.115 -6.279 1.00 14.75 C +ATOM 294 C PHE A 38 30.717 18.903 -7.448 1.00 13.86 C +ATOM 295 O PHE A 38 31.923 18.794 -7.702 1.00 16.66 O +ATOM 296 CB PHE A 38 30.914 16.823 -6.047 1.00 17.09 C +ATOM 297 CG PHE A 38 30.487 16.006 -4.863 1.00 15.96 C +ATOM 298 CD1 PHE A 38 30.100 16.572 -3.655 1.00 15.43 C +ATOM 299 CD2 PHE A 38 30.507 14.603 -4.993 1.00 17.66 C +ATOM 300 CE1 PHE A 38 29.766 15.808 -2.558 1.00 16.83 C +ATOM 301 CE2 PHE A 38 30.136 13.814 -3.891 1.00 15.86 C +ATOM 302 CZ PHE A 38 29.835 14.410 -2.646 1.00 18.90 C +ATOM 303 N ASN A 39 29.936 19.792 -8.033 1.00 17.63 N +ATOM 304 CA ASN A 39 30.341 20.573 -9.199 1.00 16.77 C +ATOM 305 C ASN A 39 30.543 22.034 -8.823 1.00 17.13 C +ATOM 306 O ASN A 39 29.544 22.649 -8.423 1.00 17.24 O +ATOM 307 CB ASN A 39 29.406 20.300 -10.366 1.00 17.40 C +ATOM 308 CG ASN A 39 29.876 20.771 -11.716 1.00 16.96 C +ATOM 309 OD1 ASN A 39 30.579 21.750 -11.956 1.00 23.22 O +ATOM 310 ND2 ASN A 39 29.578 19.864 -12.653 1.00 26.35 N +ATOM 311 N THR A 40 31.766 22.492 -8.928 1.00 14.88 N +ATOM 312 CA THR A 40 32.139 23.869 -8.657 1.00 16.08 C +ATOM 313 C THR A 40 31.504 24.890 -9.589 1.00 16.31 C +ATOM 314 O THR A 40 31.316 26.054 -9.213 1.00 17.50 O +ATOM 315 CB THR A 40 33.684 24.103 -8.422 1.00 17.07 C +ATOM 316 OG1 THR A 40 34.270 24.156 -9.775 1.00 23.76 O +ATOM 317 CG2 THR A 40 34.414 23.119 -7.491 1.00 16.46 C +ATOM 318 N GLN A 41 31.001 24.430 -10.706 1.00 16.39 N +ATOM 319 CA GLN A 41 30.524 25.291 -11.812 1.00 16.67 C +ATOM 320 C GLN A 41 28.993 25.381 -11.874 1.00 15.44 C +ATOM 321 O GLN A 41 28.504 26.019 -12.837 1.00 18.55 O +ATOM 322 CB GLN A 41 31.047 24.817 -13.168 1.00 19.65 C +ATOM 323 CG GLN A 41 32.549 25.004 -13.279 1.00 21.26 C +ATOM 324 CD GLN A 41 32.763 26.236 -14.129 1.00 26.23 C +ATOM 325 OE1 GLN A 41 32.356 26.308 -15.291 1.00 24.68 O +ATOM 326 NE2 GLN A 41 33.276 27.231 -13.420 1.00 25.96 N +ATOM 327 N ALA A 42 28.329 24.640 -11.012 1.00 15.95 N +ATOM 328 CA ALA A 42 26.859 24.579 -11.061 1.00 17.42 C +ATOM 329 C ALA A 42 26.257 25.969 -10.807 1.00 18.93 C +ATOM 330 O ALA A 42 26.645 26.686 -9.884 1.00 17.00 O +ATOM 331 CB ALA A 42 26.355 23.604 -9.998 1.00 22.79 C +ATOM 332 N THR A 43 25.276 26.293 -11.643 1.00 18.30 N +ATOM 333 CA THR A 43 24.441 27.490 -11.476 1.00 17.73 C +ATOM 334 C THR A 43 22.976 27.112 -11.714 1.00 19.61 C +ATOM 335 O THR A 43 22.715 26.271 -12.594 1.00 22.06 O +ATOM 336 CB THR A 43 24.814 28.728 -12.375 1.00 17.58 C +ATOM 337 OG1 THR A 43 24.555 28.321 -13.756 1.00 20.94 O +ATOM 338 CG2 THR A 43 26.247 29.213 -12.184 1.00 18.26 C +ATOM 339 N ASN A 44 22.088 27.742 -10.971 1.00 19.77 N +ATOM 340 CA ASN A 44 20.640 27.497 -11.108 1.00 19.51 C +ATOM 341 C ASN A 44 19.903 28.842 -10.963 1.00 14.85 C +ATOM 342 O ASN A 44 20.169 29.600 -10.033 1.00 19.43 O +ATOM 343 CB ASN A 44 20.155 26.480 -10.080 1.00 19.93 C +ATOM 344 CG ASN A 44 18.646 26.315 -10.115 1.00 22.01 C +ATOM 345 OD1 ASN A 44 18.128 25.720 -11.078 1.00 29.53 O +ATOM 346 ND2 ASN A 44 17.906 26.927 -9.188 1.00 22.94 N +ATOM 347 N ARG A 45 19.058 29.117 -11.924 1.00 16.90 N +ATOM 348 CA ARG A 45 18.303 30.363 -12.015 1.00 18.37 C +ATOM 349 C ARG A 45 16.955 30.163 -11.326 1.00 18.76 C +ATOM 350 O ARG A 45 16.396 29.062 -11.425 1.00 20.87 O +ATOM 351 CB ARG A 45 18.143 30.836 -13.462 1.00 19.30 C +ATOM 352 CG ARG A 45 17.012 31.859 -13.557 1.00 23.98 C +ATOM 353 CD ARG A 45 17.502 33.134 -12.930 1.00 23.36 C +ATOM 354 NE ARG A 45 18.311 33.758 -13.981 1.00 29.56 N +ATOM 355 CZ ARG A 45 17.620 34.271 -15.020 1.00 27.18 C +ATOM 356 NH1 ARG A 45 16.287 34.331 -15.098 1.00 31.99 N +ATOM 357 NH2 ARG A 45 18.374 34.698 -16.030 1.00 32.43 N +ATOM 358 N ASN A 46 16.553 31.171 -10.554 1.00 18.13 N +ATOM 359 CA ASN A 46 15.304 31.071 -9.782 1.00 20.10 C +ATOM 360 C ASN A 46 14.261 32.063 -10.313 1.00 17.35 C +ATOM 361 O ASN A 46 14.617 33.104 -10.880 1.00 19.15 O +ATOM 362 CB ASN A 46 15.576 31.229 -8.295 1.00 20.05 C +ATOM 363 CG ASN A 46 16.543 30.240 -7.679 1.00 20.12 C +ATOM 364 OD1 ASN A 46 17.659 30.661 -7.346 1.00 21.21 O +ATOM 365 ND2 ASN A 46 16.125 28.975 -7.600 1.00 19.44 N +ATOM 366 N THR A 47 13.027 31.834 -9.887 1.00 19.96 N +ATOM 367 CA THR A 47 11.871 32.654 -10.246 1.00 19.12 C +ATOM 368 C THR A 47 12.001 34.107 -9.810 1.00 19.44 C +ATOM 369 O THR A 47 11.600 34.969 -10.606 1.00 23.16 O +ATOM 370 CB THR A 47 10.499 32.017 -9.789 1.00 17.70 C +ATOM 371 OG1 THR A 47 10.507 32.195 -8.342 1.00 23.76 O +ATOM 372 CG2 THR A 47 10.331 30.554 -10.188 1.00 22.66 C +ATOM 373 N ASP A 48 12.625 34.377 -8.683 1.00 19.25 N +ATOM 374 CA ASP A 48 12.885 35.716 -8.168 1.00 17.33 C +ATOM 375 C ASP A 48 14.010 36.505 -8.823 1.00 17.71 C +ATOM 376 O ASP A 48 14.246 37.621 -8.309 1.00 23.04 O +ATOM 377 CB ASP A 48 13.023 35.735 -6.640 1.00 18.02 C +ATOM 378 CG ASP A 48 14.367 35.174 -6.168 1.00 17.88 C +ATOM 379 OD1 ASP A 48 15.104 34.602 -6.991 1.00 18.55 O +ATOM 380 OD2 ASP A 48 14.750 35.442 -5.013 1.00 22.86 O +ATOM 381 N GLY A 49 14.650 36.018 -9.862 1.00 17.62 N +ATOM 382 CA GLY A 49 15.744 36.702 -10.546 1.00 17.27 C +ATOM 383 C GLY A 49 17.147 36.315 -10.096 1.00 16.80 C +ATOM 384 O GLY A 49 18.168 36.688 -10.694 1.00 20.27 O +ATOM 385 N SER A 50 17.173 35.661 -8.930 1.00 19.61 N +ATOM 386 CA SER A 50 18.435 35.225 -8.279 1.00 14.28 C +ATOM 387 C SER A 50 18.977 33.963 -8.941 1.00 18.09 C +ATOM 388 O SER A 50 18.273 33.255 -9.697 1.00 16.76 O +ATOM 389 CB SER A 50 18.272 35.089 -6.781 1.00 17.64 C +ATOM 390 OG SER A 50 17.530 33.930 -6.463 1.00 17.54 O +ATOM 391 N THR A 51 20.271 33.766 -8.734 1.00 16.00 N +ATOM 392 CA THR A 51 20.970 32.557 -9.202 1.00 13.82 C +ATOM 393 C THR A 51 21.718 31.969 -8.000 1.00 14.58 C +ATOM 394 O THR A 51 22.160 32.712 -7.119 1.00 13.28 O +ATOM 395 CB THR A 51 21.904 32.908 -10.419 1.00 12.66 C +ATOM 396 OG1 THR A 51 21.099 33.576 -11.407 1.00 17.65 O +ATOM 397 CG2 THR A 51 22.686 31.699 -10.952 1.00 14.39 C +ATOM 398 N ASP A 52 21.708 30.650 -7.927 1.00 14.66 N +ATOM 399 CA ASP A 52 22.528 29.900 -6.959 1.00 13.43 C +ATOM 400 C ASP A 52 23.843 29.488 -7.635 1.00 12.35 C +ATOM 401 O ASP A 52 23.847 29.066 -8.805 1.00 15.18 O +ATOM 402 CB ASP A 52 21.765 28.649 -6.554 1.00 14.12 C +ATOM 403 CG ASP A 52 20.396 28.991 -6.002 1.00 20.03 C +ATOM 404 OD1 ASP A 52 20.220 29.928 -5.237 1.00 21.30 O +ATOM 405 OD2 ASP A 52 19.517 28.144 -6.222 1.00 20.92 O +ATOM 406 N TYR A 53 24.924 29.734 -6.905 1.00 14.56 N +ATOM 407 CA TYR A 53 26.278 29.604 -7.450 1.00 13.61 C +ATOM 408 C TYR A 53 27.161 28.595 -6.708 1.00 12.70 C +ATOM 409 O TYR A 53 27.289 28.606 -5.486 1.00 13.36 O +ATOM 410 CB TYR A 53 26.993 30.972 -7.489 1.00 12.10 C +ATOM 411 CG TYR A 53 26.437 31.959 -8.487 1.00 11.48 C +ATOM 412 CD1 TYR A 53 26.843 32.003 -9.821 1.00 17.21 C +ATOM 413 CD2 TYR A 53 25.510 32.907 -8.050 1.00 14.42 C +ATOM 414 CE1 TYR A 53 26.291 32.922 -10.717 1.00 17.40 C +ATOM 415 CE2 TYR A 53 24.907 33.803 -8.932 1.00 12.97 C +ATOM 416 CZ TYR A 53 25.357 33.847 -10.252 1.00 15.91 C +ATOM 417 OH TYR A 53 24.864 34.804 -11.094 1.00 19.31 O +ATOM 418 N GLY A 54 27.751 27.721 -7.493 1.00 16.54 N +ATOM 419 CA GLY A 54 28.845 26.832 -7.121 1.00 15.67 C +ATOM 420 C GLY A 54 28.499 25.601 -6.290 1.00 10.78 C +ATOM 421 O GLY A 54 27.339 25.155 -6.255 1.00 13.16 O +ATOM 422 N ILE A 55 29.560 25.088 -5.684 1.00 15.43 N +ATOM 423 CA ILE A 55 29.452 23.795 -4.994 1.00 14.01 C +ATOM 424 C ILE A 55 28.424 23.748 -3.872 1.00 12.26 C +ATOM 425 O ILE A 55 27.770 22.697 -3.693 1.00 16.92 O +ATOM 426 CB ILE A 55 30.891 23.340 -4.563 1.00 16.64 C +ATOM 427 CG1 ILE A 55 30.785 21.812 -4.319 1.00 17.00 C +ATOM 428 CG2 ILE A 55 31.396 24.210 -3.390 1.00 18.87 C +ATOM 429 CD1 ILE A 55 32.101 21.018 -4.339 1.00 20.60 C +ATOM 430 N LEU A 56 28.216 24.881 -3.236 1.00 12.85 N +ATOM 431 CA LEU A 56 27.173 24.998 -2.203 1.00 14.96 C +ATOM 432 C LEU A 56 25.981 25.838 -2.659 1.00 11.08 C +ATOM 433 O LEU A 56 25.161 26.111 -1.774 1.00 16.40 O +ATOM 434 CB LEU A 56 27.816 25.424 -0.877 1.00 14.44 C +ATOM 435 CG LEU A 56 28.692 24.348 -0.204 1.00 14.92 C +ATOM 436 CD1 LEU A 56 29.331 24.997 1.008 1.00 18.78 C +ATOM 437 CD2 LEU A 56 27.808 23.177 0.192 1.00 19.47 C +ATOM 438 N GLN A 57 25.865 26.104 -3.946 1.00 14.17 N +ATOM 439 CA GLN A 57 24.668 26.785 -4.465 1.00 11.55 C +ATOM 440 C GLN A 57 24.277 27.940 -3.558 1.00 15.09 C +ATOM 441 O GLN A 57 23.116 28.031 -3.094 1.00 15.28 O +ATOM 442 CB GLN A 57 23.521 25.765 -4.549 1.00 13.56 C +ATOM 443 CG GLN A 57 23.733 24.790 -5.699 1.00 12.45 C +ATOM 444 CD GLN A 57 23.684 25.440 -7.069 1.00 14.21 C +ATOM 445 OE1 GLN A 57 22.574 25.602 -7.591 1.00 18.18 O +ATOM 446 NE2 GLN A 57 24.813 25.805 -7.651 1.00 14.86 N +ATOM 447 N ILE A 58 25.164 28.910 -3.428 1.00 14.04 N +ATOM 448 CA ILE A 58 24.930 30.118 -2.649 1.00 16.09 C +ATOM 449 C ILE A 58 24.204 31.163 -3.504 1.00 11.19 C +ATOM 450 O ILE A 58 24.555 31.405 -4.667 1.00 14.34 O +ATOM 451 CB ILE A 58 26.301 30.665 -2.134 1.00 14.90 C +ATOM 452 CG1 ILE A 58 26.751 29.724 -0.985 1.00 13.85 C +ATOM 453 CG2 ILE A 58 26.178 32.135 -1.693 1.00 15.47 C +ATOM 454 CD1 ILE A 58 28.246 29.954 -0.641 1.00 16.12 C +ATOM 455 N ASN A 59 23.145 31.671 -2.905 1.00 14.23 N +ATOM 456 CA ASN A 59 22.146 32.510 -3.590 1.00 10.60 C +ATOM 457 C ASN A 59 22.550 33.974 -3.730 1.00 13.03 C +ATOM 458 O ASN A 59 22.917 34.607 -2.740 1.00 18.49 O +ATOM 459 CB ASN A 59 20.805 32.306 -2.884 1.00 15.76 C +ATOM 460 CG ASN A 59 19.650 32.986 -3.588 1.00 15.71 C +ATOM 461 OD1 ASN A 59 19.464 34.171 -3.244 1.00 18.79 O +ATOM 462 ND2 ASN A 59 19.155 32.320 -4.612 1.00 16.44 N +ATOM 463 N SER A 60 22.268 34.485 -4.941 1.00 11.71 N +ATOM 464 CA SER A 60 22.570 35.910 -5.255 1.00 13.81 C +ATOM 465 C SER A 60 21.687 36.993 -4.642 1.00 15.28 C +ATOM 466 O SER A 60 22.054 38.177 -4.774 1.00 17.67 O +ATOM 467 CB SER A 60 22.643 36.139 -6.750 1.00 14.62 C +ATOM 468 OG SER A 60 21.432 36.007 -7.444 1.00 14.30 O +ATOM 469 N ARG A 61 20.526 36.660 -4.138 1.00 15.88 N +ATOM 470 CA ARG A 61 19.691 37.653 -3.434 1.00 18.54 C +ATOM 471 C ARG A 61 20.277 38.108 -2.106 1.00 19.97 C +ATOM 472 O ARG A 61 20.282 39.333 -1.876 1.00 26.30 O +ATOM 473 CB ARG A 61 18.267 37.195 -3.250 1.00 18.00 C +ATOM 474 CG ARG A 61 17.315 38.350 -2.959 1.00 20.10 C +ATOM 475 CD ARG A 61 16.063 37.657 -2.503 1.00 26.00 C +ATOM 476 NE ARG A 61 15.101 38.653 -2.063 1.00 29.28 N +ATOM 477 CZ ARG A 61 13.794 38.351 -2.111 1.00 29.36 C +ATOM 478 NH1 ARG A 61 13.439 37.257 -2.784 1.00 26.50 N +ATOM 479 NH2 ARG A 61 12.925 39.249 -1.646 1.00 32.93 N +ATOM 480 N TRP A 62 20.773 37.202 -1.273 1.00 16.51 N +ATOM 481 CA TRP A 62 21.321 37.563 0.032 1.00 16.06 C +ATOM 482 C TRP A 62 22.848 37.643 0.101 1.00 15.55 C +ATOM 483 O TRP A 62 23.323 38.396 0.968 1.00 18.96 O +ATOM 484 CB TRP A 62 20.833 36.611 1.134 1.00 17.91 C +ATOM 485 CG TRP A 62 19.360 36.361 1.096 1.00 18.99 C +ATOM 486 CD1 TRP A 62 18.719 35.247 0.643 1.00 20.47 C +ATOM 487 CD2 TRP A 62 18.326 37.305 1.427 1.00 20.79 C +ATOM 488 NE1 TRP A 62 17.360 35.457 0.609 1.00 21.70 N +ATOM 489 CE2 TRP A 62 17.090 36.696 1.096 1.00 21.11 C +ATOM 490 CE3 TRP A 62 18.333 38.584 1.965 1.00 19.84 C +ATOM 491 CZ2 TRP A 62 15.875 37.327 1.307 1.00 22.57 C +ATOM 492 CZ3 TRP A 62 17.115 39.208 2.186 1.00 23.93 C +ATOM 493 CH2 TRP A 62 15.906 38.611 1.814 1.00 19.55 C +ATOM 494 N TRP A 63 23.537 36.731 -0.584 1.00 16.01 N +ATOM 495 CA TRP A 63 24.906 36.398 -0.276 1.00 15.21 C +ATOM 496 C TRP A 63 26.089 36.924 -1.052 1.00 15.84 C +ATOM 497 O TRP A 63 27.142 37.177 -0.432 1.00 19.13 O +ATOM 498 CB TRP A 63 25.068 34.919 0.112 1.00 15.47 C +ATOM 499 CG TRP A 63 24.036 34.428 1.068 1.00 12.46 C +ATOM 500 CD1 TRP A 63 22.959 33.620 0.777 1.00 16.95 C +ATOM 501 CD2 TRP A 63 23.919 34.728 2.450 1.00 13.27 C +ATOM 502 NE1 TRP A 63 22.243 33.344 1.899 1.00 17.64 N +ATOM 503 CE2 TRP A 63 22.761 34.067 2.931 1.00 17.28 C +ATOM 504 CE3 TRP A 63 24.694 35.480 3.323 1.00 15.25 C +ATOM 505 CZ2 TRP A 63 22.393 34.133 4.278 1.00 18.56 C +ATOM 506 CZ3 TRP A 63 24.302 35.586 4.648 1.00 18.76 C +ATOM 507 CH2 TRP A 63 23.179 34.910 5.117 1.00 19.36 C +ATOM 508 N CYS A 64 25.962 36.914 -2.353 1.00 17.00 N +ATOM 509 CA CYS A 64 26.985 37.433 -3.271 1.00 15.76 C +ATOM 510 C CYS A 64 26.324 38.355 -4.286 1.00 15.97 C +ATOM 511 O CYS A 64 25.102 38.314 -4.475 1.00 13.75 O +ATOM 512 CB CYS A 64 27.638 36.265 -3.988 1.00 16.64 C +ATOM 513 SG CYS A 64 26.562 35.233 -5.007 1.00 17.83 S +ATOM 514 N ASN A 65 27.157 39.165 -4.908 1.00 17.73 N +ATOM 515 CA ASN A 65 26.700 40.134 -5.920 1.00 16.46 C +ATOM 516 C ASN A 65 26.985 39.646 -7.342 1.00 13.16 C +ATOM 517 O ASN A 65 28.130 39.316 -7.647 1.00 15.95 O +ATOM 518 CB ASN A 65 27.381 41.492 -5.712 1.00 19.19 C +ATOM 519 CG ASN A 65 26.910 42.423 -6.824 1.00 19.59 C +ATOM 520 OD1 ASN A 65 25.736 42.559 -7.141 1.00 23.26 O +ATOM 521 ND2 ASN A 65 27.914 42.938 -7.527 1.00 25.56 N +ATOM 522 N ASP A 66 25.920 39.484 -8.116 1.00 15.60 N +ATOM 523 CA ASP A 66 26.102 39.180 -9.545 1.00 15.28 C +ATOM 524 C ASP A 66 25.664 40.317 -10.460 1.00 15.23 C +ATOM 525 O ASP A 66 25.719 40.143 -11.673 1.00 17.91 O +ATOM 526 CB ASP A 66 25.462 37.858 -9.894 1.00 14.84 C +ATOM 527 CG ASP A 66 23.951 37.903 -9.833 1.00 12.12 C +ATOM 528 OD1 ASP A 66 23.288 38.898 -9.542 1.00 16.56 O +ATOM 529 OD2 ASP A 66 23.455 36.769 -10.048 1.00 16.91 O +ATOM 530 N GLY A 67 25.234 41.408 -9.860 1.00 18.13 N +ATOM 531 CA GLY A 67 24.817 42.607 -10.577 1.00 19.40 C +ATOM 532 C GLY A 67 23.544 42.553 -11.401 1.00 20.37 C +ATOM 533 O GLY A 67 23.191 43.542 -12.055 1.00 18.23 O +ATOM 534 N ARG A 68 22.822 41.441 -11.348 1.00 18.79 N +ATOM 535 CA ARG A 68 21.560 41.308 -12.092 1.00 19.77 C +ATOM 536 C ARG A 68 20.424 40.765 -11.243 1.00 18.48 C +ATOM 537 O ARG A 68 19.385 40.383 -11.795 1.00 21.54 O +ATOM 538 CB ARG A 68 21.746 40.454 -13.339 1.00 18.97 C +ATOM 539 CG ARG A 68 22.197 39.048 -12.946 1.00 18.77 C +ATOM 540 CD ARG A 68 22.477 38.187 -14.122 1.00 23.25 C +ATOM 541 NE ARG A 68 21.439 37.201 -14.281 1.00 29.75 N +ATOM 542 CZ ARG A 68 20.242 37.255 -14.855 1.00 28.71 C +ATOM 543 NH1 ARG A 68 19.503 38.311 -15.145 1.00 32.34 N +ATOM 544 NH2 ARG A 68 19.897 36.127 -15.497 1.00 33.10 N +ATOM 545 N THR A 69 20.590 40.896 -9.952 1.00 18.68 N +ATOM 546 CA THR A 69 19.607 40.408 -8.973 1.00 20.02 C +ATOM 547 C THR A 69 18.994 41.597 -8.224 1.00 16.46 C +ATOM 548 O THR A 69 19.683 42.241 -7.425 1.00 23.13 O +ATOM 549 CB THR A 69 20.208 39.384 -7.910 1.00 19.66 C +ATOM 550 OG1 THR A 69 20.851 38.334 -8.715 1.00 19.19 O +ATOM 551 CG2 THR A 69 19.123 38.863 -6.955 1.00 18.58 C +ATOM 552 N PRO A 70 17.687 41.741 -8.418 1.00 20.50 N +ATOM 553 CA PRO A 70 16.953 42.824 -7.733 1.00 21.73 C +ATOM 554 C PRO A 70 16.955 42.520 -6.242 1.00 22.11 C +ATOM 555 O PRO A 70 16.739 41.356 -5.886 1.00 27.13 O +ATOM 556 CB PRO A 70 15.557 42.749 -8.333 1.00 23.50 C +ATOM 557 CG PRO A 70 15.759 42.092 -9.671 1.00 24.66 C +ATOM 558 CD PRO A 70 16.887 41.095 -9.463 1.00 21.80 C +ATOM 559 N GLY A 71 17.163 43.493 -5.401 1.00 21.67 N +ATOM 560 CA GLY A 71 17.135 43.383 -3.947 1.00 24.03 C +ATOM 561 C GLY A 71 18.328 42.710 -3.287 1.00 26.98 C +ATOM 562 O GLY A 71 18.257 42.257 -2.126 1.00 32.77 O +ATOM 563 N SER A 72 19.418 42.627 -4.018 1.00 26.40 N +ATOM 564 CA SER A 72 20.665 41.976 -3.588 1.00 26.94 C +ATOM 565 C SER A 72 21.139 42.582 -2.276 1.00 24.66 C +ATOM 566 O SER A 72 21.055 43.819 -2.125 1.00 29.91 O +ATOM 567 CB SER A 72 21.659 42.002 -4.737 1.00 25.16 C +ATOM 568 OG SER A 72 23.015 41.835 -4.343 1.00 32.21 O +ATOM 569 N ARG A 73 21.646 41.775 -1.369 1.00 22.51 N +ATOM 570 CA ARG A 73 22.254 42.196 -0.113 1.00 22.60 C +ATOM 571 C ARG A 73 23.774 42.058 0.029 1.00 22.33 C +ATOM 572 O ARG A 73 24.425 42.749 0.849 1.00 27.92 O +ATOM 573 CB ARG A 73 21.615 41.555 1.127 1.00 20.14 C +ATOM 574 CG ARG A 73 20.187 41.983 1.439 1.00 22.29 C +ATOM 575 CD ARG A 73 20.209 43.299 2.123 1.00 26.95 C +ATOM 576 NE ARG A 73 18.928 43.771 2.617 1.00 33.74 N +ATOM 577 CZ ARG A 73 17.980 44.302 1.823 1.00 33.76 C +ATOM 578 NH1 ARG A 73 17.841 43.934 0.544 1.00 35.78 N +ATOM 579 NH2 ARG A 73 17.571 45.545 2.146 1.00 33.83 N +ATOM 580 N ASN A 74 24.346 41.143 -0.705 1.00 17.74 N +ATOM 581 CA ASN A 74 25.780 40.833 -0.695 1.00 18.87 C +ATOM 582 C ASN A 74 26.315 40.718 0.731 1.00 16.22 C +ATOM 583 O ASN A 74 27.255 41.471 1.060 1.00 20.87 O +ATOM 584 CB ASN A 74 26.565 41.786 -1.589 1.00 19.51 C +ATOM 585 CG ASN A 74 27.982 41.328 -1.909 1.00 16.31 C +ATOM 586 OD1 ASN A 74 28.318 40.169 -1.652 1.00 18.61 O +ATOM 587 ND2 ASN A 74 28.838 42.192 -2.436 1.00 19.22 N +ATOM 588 N LEU A 75 25.723 39.860 1.544 1.00 15.25 N +ATOM 589 CA LEU A 75 26.153 39.690 2.930 1.00 14.82 C +ATOM 590 C LEU A 75 27.518 39.011 3.085 1.00 16.78 C +ATOM 591 O LEU A 75 28.167 39.197 4.141 1.00 22.00 O +ATOM 592 CB LEU A 75 25.009 39.055 3.733 1.00 16.64 C +ATOM 593 CG LEU A 75 23.815 39.998 3.979 1.00 17.08 C +ATOM 594 CD1 LEU A 75 22.574 39.193 4.336 1.00 25.82 C +ATOM 595 CD2 LEU A 75 24.156 40.969 5.110 1.00 20.95 C +ATOM 596 N CYS A 76 27.973 38.312 2.061 1.00 17.66 N +ATOM 597 CA CYS A 76 29.299 37.680 2.111 1.00 16.46 C +ATOM 598 C CYS A 76 30.390 38.598 1.589 1.00 15.66 C +ATOM 599 O CYS A 76 31.573 38.229 1.568 1.00 17.59 O +ATOM 600 CB CYS A 76 29.396 36.303 1.477 1.00 17.61 C +ATOM 601 SG CYS A 76 28.595 34.961 2.361 1.00 18.07 S +ATOM 602 N ASN A 77 29.964 39.681 0.971 1.00 18.55 N +ATOM 603 CA ASN A 77 30.827 40.725 0.395 1.00 19.18 C +ATOM 604 C ASN A 77 31.711 40.163 -0.702 1.00 16.58 C +ATOM 605 O ASN A 77 32.947 40.331 -0.689 1.00 21.61 O +ATOM 606 CB ASN A 77 31.589 41.488 1.483 1.00 17.72 C +ATOM 607 CG ASN A 77 32.126 42.812 0.957 1.00 20.20 C +ATOM 608 OD1 ASN A 77 31.351 43.589 0.396 1.00 28.77 O +ATOM 609 ND2 ASN A 77 33.430 43.012 1.047 1.00 27.05 N +ATOM 610 N ILE A 78 31.149 39.408 -1.616 1.00 18.88 N +ATOM 611 CA ILE A 78 31.904 38.780 -2.713 1.00 20.14 C +ATOM 612 C ILE A 78 31.099 38.850 -4.013 1.00 17.08 C +ATOM 613 O ILE A 78 29.864 38.688 -3.972 1.00 16.28 O +ATOM 614 CB ILE A 78 32.183 37.255 -2.384 1.00 19.93 C +ATOM 615 CG1 ILE A 78 30.882 36.639 -1.851 1.00 21.17 C +ATOM 616 CG2 ILE A 78 33.437 37.003 -1.524 1.00 24.25 C +ATOM 617 CD1 ILE A 78 30.936 35.120 -1.546 1.00 25.54 C +ATOM 618 N PRO A 79 31.828 38.795 -5.108 1.00 16.64 N +ATOM 619 CA PRO A 79 31.195 38.634 -6.421 1.00 19.12 C +ATOM 620 C PRO A 79 30.792 37.146 -6.446 1.00 14.71 C +ATOM 621 O PRO A 79 31.576 36.273 -6.005 1.00 17.48 O +ATOM 622 CB PRO A 79 32.261 38.967 -7.445 1.00 18.74 C +ATOM 623 CG PRO A 79 33.555 39.029 -6.710 1.00 18.97 C +ATOM 624 CD PRO A 79 33.276 39.023 -5.215 1.00 16.79 C +ATOM 625 N CYS A 80 29.629 36.908 -7.033 1.00 13.55 N +ATOM 626 CA CYS A 80 29.167 35.522 -7.236 1.00 14.33 C +ATOM 627 C CYS A 80 30.150 34.716 -8.073 1.00 13.92 C +ATOM 628 O CYS A 80 30.214 33.484 -7.880 1.00 16.74 O +ATOM 629 CB CYS A 80 27.749 35.338 -7.747 1.00 16.10 C +ATOM 630 SG CYS A 80 26.471 36.160 -6.762 1.00 16.97 S +ATOM 631 N SER A 81 30.769 35.294 -9.083 1.00 15.04 N +ATOM 632 CA SER A 81 31.775 34.671 -9.933 1.00 15.64 C +ATOM 633 C SER A 81 32.907 34.027 -9.109 1.00 14.90 C +ATOM 634 O SER A 81 33.338 32.939 -9.561 1.00 21.08 O +ATOM 635 CB SER A 81 32.381 35.643 -10.953 1.00 18.65 C +ATOM 636 OG SER A 81 33.035 36.681 -10.235 1.00 20.86 O +ATOM 637 N ALA A 82 33.226 34.572 -7.950 1.00 15.59 N +ATOM 638 CA ALA A 82 34.272 33.963 -7.107 1.00 18.01 C +ATOM 639 C ALA A 82 33.869 32.604 -6.540 1.00 18.75 C +ATOM 640 O ALA A 82 34.703 31.798 -6.081 1.00 19.60 O +ATOM 641 CB ALA A 82 34.722 34.930 -6.020 1.00 20.54 C +ATOM 642 N LEU A 83 32.571 32.338 -6.519 1.00 15.36 N +ATOM 643 CA LEU A 83 31.973 31.093 -6.042 1.00 18.66 C +ATOM 644 C LEU A 83 32.060 29.962 -7.049 1.00 17.84 C +ATOM 645 O LEU A 83 31.671 28.815 -6.739 1.00 21.50 O +ATOM 646 CB LEU A 83 30.618 31.424 -5.431 1.00 17.11 C +ATOM 647 CG LEU A 83 30.511 32.364 -4.244 1.00 16.65 C +ATOM 648 CD1 LEU A 83 29.040 32.573 -3.857 1.00 18.78 C +ATOM 649 CD2 LEU A 83 31.277 31.872 -3.020 1.00 20.62 C +ATOM 650 N LEU A 84 32.473 30.271 -8.267 1.00 17.31 N +ATOM 651 CA LEU A 84 32.610 29.295 -9.347 1.00 16.38 C +ATOM 652 C LEU A 84 34.047 28.841 -9.570 1.00 19.37 C +ATOM 653 O LEU A 84 34.334 28.243 -10.622 1.00 23.48 O +ATOM 654 CB LEU A 84 31.914 29.793 -10.614 1.00 20.87 C +ATOM 655 CG LEU A 84 30.446 30.183 -10.573 1.00 14.26 C +ATOM 656 CD1 LEU A 84 30.014 30.771 -11.916 1.00 21.15 C +ATOM 657 CD2 LEU A 84 29.597 28.942 -10.329 1.00 18.96 C +ATOM 658 N SER A 85 34.942 29.197 -8.676 1.00 21.00 N +ATOM 659 CA SER A 85 36.340 28.754 -8.727 1.00 20.86 C +ATOM 660 C SER A 85 36.474 27.245 -8.497 1.00 19.65 C +ATOM 661 O SER A 85 35.765 26.640 -7.681 1.00 20.62 O +ATOM 662 CB SER A 85 37.109 29.482 -7.633 1.00 20.91 C +ATOM 663 OG SER A 85 38.484 29.212 -7.834 1.00 26.88 O +ATOM 664 N SER A 86 37.619 26.742 -8.943 1.00 22.57 N +ATOM 665 CA SER A 86 38.008 25.343 -8.700 1.00 20.44 C +ATOM 666 C SER A 86 38.388 25.153 -7.233 1.00 19.98 C +ATOM 667 O SER A 86 38.314 24.055 -6.671 1.00 23.62 O +ATOM 668 CB SER A 86 39.107 24.868 -9.650 1.00 23.76 C +ATOM 669 OG SER A 86 38.401 24.215 -10.691 1.00 30.29 O +ATOM 670 N ASP A 87 38.846 26.244 -6.668 1.00 19.74 N +ATOM 671 CA ASP A 87 39.282 26.393 -5.271 1.00 18.72 C +ATOM 672 C ASP A 87 37.999 26.657 -4.471 1.00 17.93 C +ATOM 673 O ASP A 87 37.490 27.762 -4.712 1.00 20.06 O +ATOM 674 CB ASP A 87 40.221 27.607 -5.212 1.00 21.65 C +ATOM 675 CG ASP A 87 40.762 28.041 -3.869 1.00 23.98 C +ATOM 676 OD1 ASP A 87 40.335 27.702 -2.742 1.00 26.26 O +ATOM 677 OD2 ASP A 87 41.785 28.802 -3.933 1.00 32.04 O +ATOM 678 N ILE A 88 37.732 25.850 -3.461 1.00 15.96 N +ATOM 679 CA ILE A 88 36.515 26.089 -2.658 1.00 16.22 C +ATOM 680 C ILE A 88 36.582 27.142 -1.563 1.00 14.43 C +ATOM 681 O ILE A 88 35.600 27.315 -0.801 1.00 16.28 O +ATOM 682 CB ILE A 88 35.993 24.736 -2.046 1.00 16.45 C +ATOM 683 CG1 ILE A 88 36.920 24.200 -0.934 1.00 15.71 C +ATOM 684 CG2 ILE A 88 35.587 23.743 -3.163 1.00 19.87 C +ATOM 685 CD1 ILE A 88 36.363 23.226 0.137 1.00 17.47 C +ATOM 686 N THR A 89 37.742 27.786 -1.369 1.00 14.21 N +ATOM 687 CA THR A 89 37.913 28.772 -0.306 1.00 16.87 C +ATOM 688 C THR A 89 36.736 29.761 -0.161 1.00 11.06 C +ATOM 689 O THR A 89 36.341 29.983 1.000 1.00 13.83 O +ATOM 690 CB THR A 89 39.267 29.591 -0.423 1.00 18.61 C +ATOM 691 OG1 THR A 89 40.339 28.592 -0.514 1.00 20.24 O +ATOM 692 CG2 THR A 89 39.419 30.553 0.766 1.00 17.79 C +ATOM 693 N ALA A 90 36.507 30.482 -1.242 1.00 17.37 N +ATOM 694 CA ALA A 90 35.479 31.555 -1.244 1.00 16.63 C +ATOM 695 C ALA A 90 34.125 31.066 -0.735 1.00 14.09 C +ATOM 696 O ALA A 90 33.366 31.671 0.065 1.00 15.68 O +ATOM 697 CB ALA A 90 35.366 32.212 -2.617 1.00 17.13 C +ATOM 698 N SER A 91 33.746 29.919 -1.296 1.00 13.62 N +ATOM 699 CA SER A 91 32.494 29.220 -1.024 1.00 11.35 C +ATOM 700 C SER A 91 32.429 28.817 0.467 1.00 11.70 C +ATOM 701 O SER A 91 31.407 29.057 1.110 1.00 14.31 O +ATOM 702 CB SER A 91 32.282 28.035 -1.917 1.00 13.48 C +ATOM 703 OG SER A 91 32.020 28.335 -3.260 1.00 14.66 O +ATOM 704 N VAL A 92 33.502 28.211 0.953 1.00 13.17 N +ATOM 705 CA VAL A 92 33.595 27.846 2.381 1.00 13.44 C +ATOM 706 C VAL A 92 33.477 29.105 3.261 1.00 12.00 C +ATOM 707 O VAL A 92 32.716 29.020 4.244 1.00 13.83 O +ATOM 708 CB VAL A 92 34.890 27.038 2.650 1.00 11.69 C +ATOM 709 CG1 VAL A 92 35.125 26.987 4.151 1.00 16.05 C +ATOM 710 CG2 VAL A 92 34.776 25.672 2.013 1.00 15.64 C +ATOM 711 N ASN A 93 34.199 30.163 2.912 1.00 15.12 N +ATOM 712 CA ASN A 93 34.160 31.413 3.685 1.00 15.10 C +ATOM 713 C ASN A 93 32.747 32.034 3.803 1.00 9.80 C +ATOM 714 O ASN A 93 32.361 32.393 4.908 1.00 16.51 O +ATOM 715 CB ASN A 93 35.168 32.472 3.247 1.00 16.33 C +ATOM 716 CG ASN A 93 36.582 32.083 3.642 1.00 19.02 C +ATOM 717 OD1 ASN A 93 37.546 32.671 3.120 1.00 29.57 O +ATOM 718 ND2 ASN A 93 36.710 31.188 4.631 1.00 24.29 N +ATOM 719 N CYS A 94 32.096 31.996 2.670 1.00 15.72 N +ATOM 720 CA CYS A 94 30.695 32.449 2.633 1.00 13.58 C +ATOM 721 C CYS A 94 29.778 31.527 3.424 1.00 13.05 C +ATOM 722 O CYS A 94 28.973 32.025 4.236 1.00 16.42 O +ATOM 723 CB CYS A 94 30.291 32.704 1.185 1.00 12.05 C +ATOM 724 SG CYS A 94 28.644 33.431 1.046 1.00 15.81 S +ATOM 725 N ALA A 95 29.945 30.225 3.263 1.00 13.56 N +ATOM 726 CA ALA A 95 29.134 29.227 3.969 1.00 15.63 C +ATOM 727 C ALA A 95 29.236 29.330 5.491 1.00 10.80 C +ATOM 728 O ALA A 95 28.222 29.180 6.179 1.00 12.93 O +ATOM 729 CB ALA A 95 29.495 27.794 3.612 1.00 14.09 C +ATOM 730 N LYS A 96 30.424 29.628 5.987 1.00 11.19 N +ATOM 731 CA LYS A 96 30.627 29.912 7.419 1.00 13.27 C +ATOM 732 C LYS A 96 29.802 31.115 7.906 1.00 13.38 C +ATOM 733 O LYS A 96 29.296 31.011 9.027 1.00 15.75 O +ATOM 734 CB LYS A 96 32.100 30.112 7.775 1.00 12.67 C +ATOM 735 CG LYS A 96 32.874 28.792 7.697 1.00 11.93 C +ATOM 736 CD LYS A 96 34.358 29.071 7.879 1.00 15.55 C +ATOM 737 CE LYS A 96 35.205 27.816 7.938 1.00 18.03 C +ATOM 738 NZ LYS A 96 36.610 28.242 8.169 1.00 20.72 N +ATOM 739 N LYS A 97 29.660 32.101 7.049 1.00 12.90 N +ATOM 740 CA LYS A 97 28.811 33.263 7.379 1.00 16.43 C +ATOM 741 C LYS A 97 27.333 32.905 7.386 1.00 18.88 C +ATOM 742 O LYS A 97 26.570 33.318 8.272 1.00 19.20 O +ATOM 743 CB LYS A 97 29.087 34.456 6.470 1.00 18.97 C +ATOM 744 CG LYS A 97 30.537 34.927 6.563 1.00 19.81 C +ATOM 745 CD LYS A 97 30.841 36.073 5.610 1.00 22.00 C +ATOM 746 CE LYS A 97 32.340 36.293 5.510 1.00 23.71 C +ATOM 747 NZ LYS A 97 32.569 37.524 4.708 1.00 29.75 N +ATOM 748 N ILE A 98 26.897 32.127 6.416 1.00 15.72 N +ATOM 749 CA ILE A 98 25.520 31.693 6.266 1.00 16.36 C +ATOM 750 C ILE A 98 25.030 30.871 7.453 1.00 16.70 C +ATOM 751 O ILE A 98 24.059 31.254 8.126 1.00 18.80 O +ATOM 752 CB ILE A 98 25.307 30.997 4.896 1.00 15.14 C +ATOM 753 CG1 ILE A 98 25.643 31.910 3.702 1.00 13.63 C +ATOM 754 CG2 ILE A 98 23.887 30.386 4.817 1.00 15.62 C +ATOM 755 CD1 ILE A 98 25.620 31.204 2.321 1.00 17.82 C +ATOM 756 N VAL A 99 25.875 29.966 7.915 1.00 16.73 N +ATOM 757 CA VAL A 99 25.488 29.009 8.955 1.00 18.71 C +ATOM 758 C VAL A 99 25.431 29.697 10.316 1.00 20.36 C +ATOM 759 O VAL A 99 24.737 29.212 11.233 1.00 25.30 O +ATOM 760 CB VAL A 99 26.398 27.774 8.859 1.00 16.94 C +ATOM 761 CG1 VAL A 99 27.811 28.138 9.279 1.00 19.19 C +ATOM 762 CG2 VAL A 99 25.834 26.594 9.632 1.00 18.97 C +ATOM 763 N SER A 100 26.205 30.752 10.409 1.00 17.04 N +ATOM 764 CA SER A 100 26.297 31.529 11.650 1.00 23.81 C +ATOM 765 C SER A 100 25.124 32.495 11.765 1.00 24.03 C +ATOM 766 O SER A 100 24.995 33.131 12.820 1.00 28.66 O +ATOM 767 CB SER A 100 27.647 32.194 11.723 1.00 19.71 C +ATOM 768 OG SER A 100 28.714 31.264 11.818 1.00 25.04 O +ATOM 769 N ASP A 101 24.307 32.599 10.750 1.00 25.78 N +ATOM 770 CA ASP A 101 23.162 33.495 10.650 1.00 26.98 C +ATOM 771 C ASP A 101 21.924 33.183 11.481 1.00 28.34 C +ATOM 772 O ASP A 101 21.132 34.143 11.678 1.00 31.88 O +ATOM 773 CB ASP A 101 22.806 33.854 9.207 1.00 27.75 C +ATOM 774 CG ASP A 101 22.426 35.320 9.009 1.00 30.86 C +ATOM 775 OD1 ASP A 101 23.248 36.223 9.266 1.00 34.67 O +ATOM 776 OD2 ASP A 101 21.276 35.519 8.551 1.00 32.70 O +ATOM 777 N GLY A 102 21.723 31.942 11.887 1.00 28.87 N +ATOM 778 CA GLY A 102 20.622 31.656 12.823 1.00 30.67 C +ATOM 779 C GLY A 102 19.812 30.413 12.505 1.00 27.92 C +ATOM 780 O GLY A 102 19.195 29.898 13.458 1.00 30.42 O +ATOM 781 N ASN A 103 19.805 30.005 11.244 1.00 29.26 N +ATOM 782 CA ASN A 103 19.076 28.799 10.848 1.00 25.22 C +ATOM 783 C ASN A 103 19.990 27.600 10.597 1.00 22.06 C +ATOM 784 O ASN A 103 19.472 26.579 10.117 1.00 24.23 O +ATOM 785 CB ASN A 103 17.976 29.046 9.824 1.00 24.87 C +ATOM 786 CG ASN A 103 16.708 28.245 10.063 1.00 27.08 C +ATOM 787 OD1 ASN A 103 16.513 27.577 11.098 1.00 30.30 O +ATOM 788 ND2 ASN A 103 15.672 28.428 9.240 1.00 30.15 N +ATOM 789 N GLY A 104 21.240 27.711 10.997 1.00 23.20 N +ATOM 790 CA GLY A 104 22.177 26.567 10.860 1.00 19.51 C +ATOM 791 C GLY A 104 22.173 26.142 9.388 1.00 15.58 C +ATOM 792 O GLY A 104 22.151 27.040 8.541 1.00 22.50 O +ATOM 793 N MET A 105 22.185 24.847 9.115 1.00 17.51 N +ATOM 794 CA MET A 105 22.278 24.370 7.724 1.00 16.07 C +ATOM 795 C MET A 105 20.915 24.309 7.063 1.00 13.35 C +ATOM 796 O MET A 105 20.902 23.921 5.871 1.00 15.50 O +ATOM 797 CB MET A 105 23.036 23.048 7.632 1.00 19.32 C +ATOM 798 CG MET A 105 24.519 23.221 7.871 1.00 17.10 C +ATOM 799 SD MET A 105 25.379 21.660 7.491 1.00 20.27 S +ATOM 800 CE MET A 105 25.369 21.706 5.703 1.00 20.03 C +ATOM 801 N ASN A 106 19.896 24.839 7.735 1.00 14.64 N +ATOM 802 CA ASN A 106 18.557 24.898 7.103 1.00 18.58 C +ATOM 803 C ASN A 106 18.566 25.831 5.892 1.00 18.20 C +ATOM 804 O ASN A 106 17.678 25.748 5.021 1.00 22.14 O +ATOM 805 CB ASN A 106 17.420 25.150 8.084 1.00 19.18 C +ATOM 806 CG ASN A 106 17.207 23.938 8.967 1.00 19.21 C +ATOM 807 OD1 ASN A 106 16.836 22.867 8.443 1.00 24.65 O +ATOM 808 ND2 ASN A 106 17.542 24.047 10.255 1.00 25.28 N +ATOM 809 N ALA A 107 19.617 26.647 5.800 1.00 18.54 N +ATOM 810 CA ALA A 107 19.824 27.514 4.634 1.00 18.74 C +ATOM 811 C ALA A 107 20.007 26.744 3.329 1.00 16.80 C +ATOM 812 O ALA A 107 19.734 27.292 2.260 1.00 20.63 O +ATOM 813 CB ALA A 107 21.060 28.374 4.877 1.00 19.47 C +ATOM 814 N TRP A 108 20.371 25.465 3.434 1.00 16.46 N +ATOM 815 CA TRP A 108 20.532 24.624 2.241 1.00 14.68 C +ATOM 816 C TRP A 108 19.317 23.688 2.110 1.00 17.55 C +ATOM 817 O TRP A 108 19.240 22.816 2.993 1.00 20.05 O +ATOM 818 CB TRP A 108 21.840 23.826 2.338 1.00 16.18 C +ATOM 819 CG TRP A 108 23.000 24.736 2.026 1.00 15.50 C +ATOM 820 CD1 TRP A 108 23.360 25.234 0.803 1.00 15.45 C +ATOM 821 CD2 TRP A 108 23.798 25.437 2.991 1.00 15.57 C +ATOM 822 NE1 TRP A 108 24.414 26.102 0.952 1.00 17.40 N +ATOM 823 CE2 TRP A 108 24.711 26.237 2.272 1.00 15.78 C +ATOM 824 CE3 TRP A 108 23.833 25.426 4.379 1.00 12.79 C +ATOM 825 CZ2 TRP A 108 25.682 26.985 2.917 1.00 15.77 C +ATOM 826 CZ3 TRP A 108 24.773 26.200 5.033 1.00 16.28 C +ATOM 827 CH2 TRP A 108 25.691 26.960 4.298 1.00 16.65 C +ATOM 828 N VAL A 109 18.487 23.925 1.101 1.00 15.35 N +ATOM 829 CA VAL A 109 17.265 23.096 1.025 1.00 19.96 C +ATOM 830 C VAL A 109 17.573 21.611 0.884 1.00 17.16 C +ATOM 831 O VAL A 109 16.923 20.811 1.587 1.00 20.77 O +ATOM 832 CB VAL A 109 16.146 23.660 0.145 1.00 21.94 C +ATOM 833 CG1 VAL A 109 16.607 23.905 -1.285 1.00 27.84 C +ATOM 834 CG2 VAL A 109 14.901 22.783 0.136 1.00 21.22 C +ATOM 835 N ALA A 110 18.562 21.308 0.075 1.00 20.97 N +ATOM 836 CA ALA A 110 18.972 19.935 -0.237 1.00 18.78 C +ATOM 837 C ALA A 110 19.502 19.244 1.006 1.00 18.30 C +ATOM 838 O ALA A 110 19.197 18.046 1.174 1.00 18.47 O +ATOM 839 CB ALA A 110 19.857 19.777 -1.455 1.00 20.83 C +ATOM 840 N TRP A 111 20.121 19.983 1.892 1.00 16.62 N +ATOM 841 CA TRP A 111 20.551 19.500 3.202 1.00 15.74 C +ATOM 842 C TRP A 111 19.343 19.085 4.046 1.00 19.12 C +ATOM 843 O TRP A 111 19.284 17.986 4.643 1.00 16.20 O +ATOM 844 CB TRP A 111 21.486 20.451 3.925 1.00 14.63 C +ATOM 845 CG TRP A 111 21.858 19.904 5.252 1.00 14.87 C +ATOM 846 CD1 TRP A 111 22.856 18.975 5.486 1.00 18.11 C +ATOM 847 CD2 TRP A 111 21.199 20.093 6.504 1.00 16.63 C +ATOM 848 NE1 TRP A 111 22.848 18.592 6.808 1.00 17.16 N +ATOM 849 CE2 TRP A 111 21.798 19.221 7.435 1.00 16.77 C +ATOM 850 CE3 TRP A 111 20.182 20.959 6.908 1.00 15.16 C +ATOM 851 CZ2 TRP A 111 21.492 19.284 8.784 1.00 17.69 C +ATOM 852 CZ3 TRP A 111 19.818 20.954 8.240 1.00 16.88 C +ATOM 853 CH2 TRP A 111 20.443 20.110 9.162 1.00 19.73 C +ATOM 854 N ARG A 112 18.438 20.038 4.228 1.00 17.47 N +ATOM 855 CA ARG A 112 17.185 19.830 4.955 1.00 19.60 C +ATOM 856 C ARG A 112 16.472 18.593 4.391 1.00 17.68 C +ATOM 857 O ARG A 112 16.000 17.792 5.220 1.00 22.77 O +ATOM 858 CB ARG A 112 16.214 20.990 4.944 1.00 17.57 C +ATOM 859 CG ARG A 112 16.592 22.438 5.091 1.00 25.27 C +ATOM 860 CD ARG A 112 15.368 23.296 5.135 1.00 21.23 C +ATOM 861 NE ARG A 112 14.776 23.555 3.836 1.00 28.06 N +ATOM 862 CZ ARG A 112 14.785 24.695 3.143 1.00 27.89 C +ATOM 863 NH1 ARG A 112 15.596 25.721 3.383 1.00 30.12 N +ATOM 864 NH2 ARG A 112 13.717 25.008 2.398 1.00 30.39 N +ATOM 865 N ASN A 113 16.307 18.521 3.074 1.00 19.43 N +ATOM 866 CA ASN A 113 15.464 17.463 2.491 1.00 20.16 C +ATOM 867 C ASN A 113 16.111 16.083 2.586 1.00 21.26 C +ATOM 868 O ASN A 113 15.454 15.054 2.808 1.00 24.90 O +ATOM 869 CB ASN A 113 14.966 17.779 1.085 1.00 20.43 C +ATOM 870 CG ASN A 113 14.003 18.961 1.018 1.00 16.63 C +ATOM 871 OD1 ASN A 113 13.454 19.344 2.059 1.00 25.68 O +ATOM 872 ND2 ASN A 113 13.840 19.555 -0.159 1.00 22.00 N +ATOM 873 N ARG A 114 17.401 16.041 2.355 1.00 19.72 N +ATOM 874 CA ARG A 114 18.156 14.836 2.042 1.00 21.43 C +ATOM 875 C ARG A 114 19.258 14.440 2.991 1.00 22.71 C +ATOM 876 O ARG A 114 19.505 13.217 3.097 1.00 24.85 O +ATOM 877 CB ARG A 114 18.622 14.910 0.576 1.00 21.05 C +ATOM 878 CG ARG A 114 17.395 14.614 -0.300 1.00 26.59 C +ATOM 879 CD ARG A 114 17.729 14.399 -1.731 1.00 26.92 C +ATOM 880 NE ARG A 114 18.153 15.677 -2.301 1.00 33.46 N +ATOM 881 CZ ARG A 114 17.826 16.080 -3.535 1.00 32.00 C +ATOM 882 NH1 ARG A 114 17.378 15.225 -4.456 1.00 36.02 N +ATOM 883 NH2 ARG A 114 17.735 17.388 -3.796 1.00 36.05 N +ATOM 884 N CYS A 115 19.743 15.372 3.773 1.00 17.56 N +ATOM 885 CA CYS A 115 20.843 15.041 4.708 1.00 15.08 C +ATOM 886 C CYS A 115 20.448 14.933 6.159 1.00 16.64 C +ATOM 887 O CYS A 115 20.972 14.116 6.940 1.00 21.71 O +ATOM 888 CB CYS A 115 21.991 16.018 4.426 1.00 15.21 C +ATOM 889 SG CYS A 115 22.563 16.009 2.739 1.00 19.35 S +ATOM 890 N LYS A 116 19.714 15.918 6.619 1.00 18.76 N +ATOM 891 CA LYS A 116 19.332 16.085 8.025 1.00 19.14 C +ATOM 892 C LYS A 116 18.634 14.821 8.518 1.00 21.91 C +ATOM 893 O LYS A 116 17.819 14.234 7.785 1.00 24.78 O +ATOM 894 CB LYS A 116 18.492 17.363 8.126 1.00 21.01 C +ATOM 895 CG LYS A 116 17.930 17.512 9.547 1.00 21.28 C +ATOM 896 CD LYS A 116 16.745 18.481 9.554 1.00 25.86 C +ATOM 897 CE LYS A 116 16.658 19.147 10.918 1.00 25.58 C +ATOM 898 NZ LYS A 116 15.454 20.010 11.047 1.00 34.69 N +ATOM 899 N GLY A 117 19.152 14.318 9.635 1.00 26.39 N +ATOM 900 CA GLY A 117 18.558 13.126 10.267 1.00 29.06 C +ATOM 901 C GLY A 117 19.018 11.781 9.733 1.00 28.29 C +ATOM 902 O GLY A 117 18.499 10.733 10.164 1.00 31.90 O +ATOM 903 N THR A 118 19.892 11.802 8.740 1.00 26.88 N +ATOM 904 CA THR A 118 20.473 10.578 8.171 1.00 22.31 C +ATOM 905 C THR A 118 21.868 10.375 8.761 1.00 21.43 C +ATOM 906 O THR A 118 22.321 11.119 9.650 1.00 22.31 O +ATOM 907 CB THR A 118 20.440 10.571 6.598 1.00 18.59 C +ATOM 908 OG1 THR A 118 21.560 11.404 6.161 1.00 22.71 O +ATOM 909 CG2 THR A 118 19.095 11.104 6.074 1.00 21.13 C +ATOM 910 N ASP A 119 22.392 9.213 8.431 1.00 21.20 N +ATOM 911 CA ASP A 119 23.768 8.830 8.756 1.00 22.61 C +ATOM 912 C ASP A 119 24.713 9.543 7.779 1.00 20.13 C +ATOM 913 O ASP A 119 25.178 8.950 6.780 1.00 20.57 O +ATOM 914 CB ASP A 119 23.934 7.313 8.738 1.00 21.00 C +ATOM 915 CG ASP A 119 25.347 6.900 9.121 1.00 25.32 C +ATOM 916 OD1 ASP A 119 26.051 7.633 9.830 1.00 27.93 O +ATOM 917 OD2 ASP A 119 25.715 5.746 8.804 1.00 27.31 O +ATOM 918 N VAL A 120 24.988 10.793 8.094 1.00 23.41 N +ATOM 919 CA VAL A 120 25.886 11.637 7.306 1.00 20.10 C +ATOM 920 C VAL A 120 27.342 11.199 7.304 1.00 18.51 C +ATOM 921 O VAL A 120 28.099 11.604 6.406 1.00 19.95 O +ATOM 922 CB VAL A 120 25.721 13.134 7.630 1.00 19.91 C +ATOM 923 CG1 VAL A 120 24.356 13.655 7.183 1.00 23.59 C +ATOM 924 CG2 VAL A 120 26.088 13.478 9.055 1.00 20.79 C +ATOM 925 N GLN A 121 27.701 10.430 8.306 1.00 21.83 N +ATOM 926 CA GLN A 121 29.021 9.783 8.389 1.00 21.12 C +ATOM 927 C GLN A 121 29.317 8.861 7.207 1.00 20.78 C +ATOM 928 O GLN A 121 30.480 8.669 6.820 1.00 19.66 O +ATOM 929 CB GLN A 121 29.088 9.048 9.728 1.00 24.21 C +ATOM 930 CG GLN A 121 30.530 8.965 10.167 1.00 26.13 C +ATOM 931 CD GLN A 121 30.615 8.877 11.674 1.00 26.94 C +ATOM 932 OE1 GLN A 121 31.368 9.632 12.283 1.00 31.43 O +ATOM 933 NE2 GLN A 121 29.884 7.871 12.151 1.00 28.26 N +ATOM 934 N ALA A 122 28.300 8.271 6.576 1.00 17.62 N +ATOM 935 CA ALA A 122 28.390 7.548 5.311 1.00 19.46 C +ATOM 936 C ALA A 122 29.186 8.290 4.227 1.00 17.98 C +ATOM 937 O ALA A 122 30.031 7.710 3.523 1.00 21.35 O +ATOM 938 CB ALA A 122 26.999 7.244 4.783 1.00 18.29 C +ATOM 939 N TRP A 123 29.021 9.616 4.240 1.00 18.07 N +ATOM 940 CA TRP A 123 29.703 10.502 3.283 1.00 16.76 C +ATOM 941 C TRP A 123 31.218 10.581 3.392 1.00 16.76 C +ATOM 942 O TRP A 123 31.905 10.942 2.412 1.00 20.08 O +ATOM 943 CB TRP A 123 29.027 11.872 3.347 1.00 19.49 C +ATOM 944 CG TRP A 123 27.621 11.735 2.850 1.00 17.43 C +ATOM 945 CD1 TRP A 123 26.485 11.608 3.588 1.00 19.42 C +ATOM 946 CD2 TRP A 123 27.241 11.547 1.481 1.00 17.47 C +ATOM 947 NE1 TRP A 123 25.405 11.458 2.774 1.00 18.86 N +ATOM 948 CE2 TRP A 123 25.827 11.391 1.479 1.00 17.28 C +ATOM 949 CE3 TRP A 123 27.947 11.468 0.283 1.00 20.03 C +ATOM 950 CZ2 TRP A 123 25.111 11.184 0.311 1.00 18.33 C +ATOM 951 CZ3 TRP A 123 27.222 11.329 -0.886 1.00 20.85 C +ATOM 952 CH2 TRP A 123 25.835 11.127 -0.869 1.00 20.45 C +ATOM 953 N ILE A 124 31.741 10.269 4.554 1.00 14.19 N +ATOM 954 CA ILE A 124 33.186 10.292 4.801 1.00 16.82 C +ATOM 955 C ILE A 124 33.863 8.955 5.024 1.00 18.45 C +ATOM 956 O ILE A 124 35.100 8.892 5.134 1.00 21.02 O +ATOM 957 CB ILE A 124 33.504 11.403 5.863 1.00 17.69 C +ATOM 958 CG1 ILE A 124 32.956 10.984 7.234 1.00 18.86 C +ATOM 959 CG2 ILE A 124 33.024 12.804 5.387 1.00 21.01 C +ATOM 960 CD1 ILE A 124 33.729 11.437 8.488 1.00 22.81 C +ATOM 961 N ARG A 125 33.080 7.898 5.131 1.00 21.05 N +ATOM 962 CA ARG A 125 33.594 6.534 5.320 1.00 19.12 C +ATOM 963 C ARG A 125 34.311 6.113 4.036 1.00 17.52 C +ATOM 964 O ARG A 125 33.843 6.337 2.906 1.00 23.44 O +ATOM 965 CB ARG A 125 32.476 5.551 5.650 1.00 19.54 C +ATOM 966 CG ARG A 125 32.117 5.596 7.145 1.00 22.40 C +ATOM 967 CD ARG A 125 31.277 4.392 7.482 1.00 24.05 C +ATOM 968 NE ARG A 125 30.282 4.754 8.466 1.00 28.08 N +ATOM 969 CZ ARG A 125 28.984 4.993 8.331 1.00 23.40 C +ATOM 970 NH1 ARG A 125 28.334 4.690 7.207 1.00 23.69 N +ATOM 971 NH2 ARG A 125 28.392 5.549 9.392 1.00 23.77 N +ATOM 972 N GLY A 126 35.497 5.568 4.243 1.00 18.80 N +ATOM 973 CA GLY A 126 36.291 5.058 3.102 1.00 21.28 C +ATOM 974 C GLY A 126 37.334 6.066 2.658 1.00 22.50 C +ATOM 975 O GLY A 126 38.220 5.729 1.855 1.00 23.59 O +ATOM 976 N CYS A 127 37.335 7.221 3.297 1.00 19.05 N +ATOM 977 CA CYS A 127 38.234 8.333 2.961 1.00 19.13 C +ATOM 978 C CYS A 127 39.422 8.382 3.925 1.00 22.50 C +ATOM 979 O CYS A 127 39.206 8.267 5.138 1.00 21.64 O +ATOM 980 CB CYS A 127 37.453 9.628 2.990 1.00 18.75 C +ATOM 981 SG CYS A 127 36.010 9.816 1.936 1.00 19.93 S +ATOM 982 N ARG A 128 40.586 8.695 3.393 1.00 23.60 N +ATOM 983 CA ARG A 128 41.774 8.960 4.217 1.00 28.29 C +ATOM 984 C ARG A 128 41.820 10.438 4.578 1.00 25.64 C +ATOM 985 O ARG A 128 41.976 11.291 3.694 1.00 30.98 O +ATOM 986 CB ARG A 128 43.047 8.304 3.707 1.00 30.82 C +ATOM 987 CG ARG A 128 43.231 6.886 4.280 1.00 34.25 C +ATOM 988 CD ARG A 128 43.833 6.911 5.651 1.00 33.59 C +ATOM 989 NE ARG A 128 45.246 7.263 5.636 1.00 37.63 N +ATOM 990 CZ ARG A 128 45.862 8.258 6.281 1.00 38.37 C +ATOM 991 NH1 ARG A 128 45.241 9.069 7.151 1.00 38.97 N +ATOM 992 NH2 ARG A 128 47.134 8.554 5.973 1.00 40.22 N +ATOM 993 N LEU A 129 41.289 10.715 5.771 1.00 26.05 N +ATOM 994 CA LEU A 129 41.094 12.084 6.273 1.00 26.89 C +ATOM 995 C LEU A 129 42.119 12.382 7.370 1.00 29.58 C +ATOM 996 O LEU A 129 41.730 12.276 8.559 1.00 33.54 O +ATOM 997 CB LEU A 129 39.635 12.335 6.646 1.00 26.31 C +ATOM 998 CG LEU A 129 38.689 12.917 5.620 1.00 23.49 C +ATOM 999 CD1 LEU A 129 39.112 12.657 4.191 1.00 26.43 C +ATOM 1000 CD2 LEU A 129 37.310 12.325 5.886 1.00 25.15 C +ATOM 1001 OXT LEU A 129 43.232 12.675 6.905 1.00 34.20 O +TER 1002 LEU A 129 +TER diff --git a/biobb_wf_md_setup/tests/python/reference/step0_reduce_remove_hydrogens/structure.noH.pdb b/biobb_wf_md_setup/tests/python/reference/step0_reduce_remove_hydrogens/structure.noH.pdb new file mode 100644 index 0000000..453fb4a --- /dev/null +++ b/biobb_wf_md_setup/tests/python/reference/step0_reduce_remove_hydrogens/structure.noH.pdb @@ -0,0 +1,1436 @@ +USER MOD reduce.3.3.160602 removed 0 hydrogens (0 hets) +HEADER HYDROLASE 19-MAY-97 1AKI +TITLE THE STRUCTURE OF THE ORTHORHOMBIC FORM OF HEN EGG-WHITE +TITLE 2 LYSOZYME AT 1.5 ANGSTROMS RESOLUTION +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: LYSOZYME; +COMPND 3 CHAIN: A; +COMPND 4 EC: 3.2.1.17 +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; +SOURCE 3 ORGANISM_COMMON: CHICKEN; +SOURCE 4 ORGANISM_TAXID: 9031; +SOURCE 5 CELL: EGG +KEYWDS HYDROLASE, GLYCOSIDASE +EXPDTA X-RAY DIFFRACTION +AUTHOR D.CARTER,J.HE,J.R.RUBLE,B.WRIGHT +REVDAT 2 24-FEB-09 1AKI 1 VERSN +REVDAT 1 19-NOV-97 1AKI 0 +JRNL AUTH P.J.ARTYMIUK,C.C.F.BLAKE,D.W.RICE,K.S.WILSON +JRNL TITL THE STRUCTURES OF THE MONOCLINIC AND ORTHORHOMBIC +JRNL TITL 2 FORMS OF HEN EGG-WHITE LYSOZYME AT 6 ANGSTROMS +JRNL TITL 3 RESOLUTION +JRNL REF ACTA CRYSTALLOGR.,SECT.B V. 38 778 1982 +JRNL REFN ISSN 0108-7681 +REMARK 1 +REMARK 2 +REMARK 2 RESOLUTION. 1.50 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : GPRLSA, X-PLOR +REMARK 3 AUTHORS : FUREY +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.50 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000 +REMARK 3 COMPLETENESS FOR RANGE (%) : 91.1 +REMARK 3 NUMBER OF REFLECTIONS : 16327 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : NULL +REMARK 3 FREE R VALUE TEST SET SELECTION : NULL +REMARK 3 R VALUE (WORKING + TEST SET) : NULL +REMARK 3 R VALUE (WORKING SET) : 0.212 +REMARK 3 FREE R VALUE : NULL +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : NULL +REMARK 3 +REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. +REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL +REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL +REMARK 3 FREE R VALUE (NO CUTOFF) : NULL +REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL +REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 1001 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 0 +REMARK 3 SOLVENT ATOMS : 78 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM SIGMAA (A) : NULL +REMARK 3 LOW RESOLUTION CUTOFF (A) : 10.00 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA +REMARK 3 BOND LENGTH (A) : 0.009 ; 0.010 +REMARK 3 ANGLE DISTANCE (A) : 0.003 ; 0.025 +REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.024 ; 0.020 +REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL +REMARK 3 +REMARK 3 PLANE RESTRAINT (A) : 0.033 ; 0.030 +REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.212 ; 0.200 +REMARK 3 +REMARK 3 NON-BONDED CONTACT RESTRAINTS. +REMARK 3 SINGLE TORSION (A) : 0.183 ; 0.300 +REMARK 3 MULTIPLE TORSION (A) : 0.159 ; 0.300 +REMARK 3 H-BOND (X...Y) (A) : 0.299 ; 0.300 +REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL +REMARK 3 +REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. +REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL +REMARK 3 PLANAR (DEGREES) : 7.900 ; 5.000 +REMARK 3 STAGGERED (DEGREES) : 17.800; 15.000 +REMARK 3 TRANSVERSE (DEGREES) : 18.900; 15.000 +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : 2.500 ; 3.000 +REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.900 ; 4.000 +REMARK 3 SIDE-CHAIN BOND (A**2) : 3.200 ; 4.000 +REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.600 ; 3.000 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1AKI COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : NOV-95 +REMARK 200 TEMPERATURE (KELVIN) : 298 +REMARK 200 PH : 4.48 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : N +REMARK 200 RADIATION SOURCE : ROTATING ANODE +REMARK 200 BEAMLINE : NULL +REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RUH2R +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 +REMARK 200 MONOCHROMATOR : GRAPHITE(002) +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : IMAGE PLATE +REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IIC +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : RIGAKU +REMARK 200 DATA SCALING SOFTWARE : BIOTEX +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 20571 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.500 +REMARK 200 RESOLUTION RANGE LOW (A) : 15.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 91.1 +REMARK 200 DATA REDUNDANCY : 3.100 +REMARK 200 R MERGE (I) : 0.04400 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 11.7000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL +REMARK 200 COMPLETENESS FOR SHELL (%) : NULL +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: NULL +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: X-PLOR +REMARK 200 STARTING MODEL: PDB ENTRY 2LZH +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 42.84 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.15 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: PH 4.48 +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X+1/2,-Y,Z+1/2 +REMARK 290 3555 -X,Y+1/2,-Z+1/2 +REMARK 290 4555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 29.53100 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 15.25850 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 34.22550 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 15.25850 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 29.53100 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 34.22550 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 NH2 ARG A 45 NH2 ARG A 68 2.16 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC +REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 +REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A +REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 +REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE +REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. +REMARK 500 +REMARK 500 DISTANCE CUTOFF: +REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS +REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE +REMARK 500 OD1 ASN A 19 ND2 ASN A 39 1556 2.09 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 ARG A 14 NE - CZ - NH1 ANGL. DEV. = -4.2 DEGREES +REMARK 500 ASP A 18 CB - CG - OD1 ANGL. DEV. = 6.1 DEGREES +REMARK 500 ARG A 21 CD - NE - CZ ANGL. DEV. = 13.6 DEGREES +REMARK 500 ARG A 21 NE - CZ - NH2 ANGL. DEV. = 5.1 DEGREES +REMARK 500 ARG A 45 NE - CZ - NH1 ANGL. DEV. = 4.6 DEGREES +REMARK 500 ARG A 45 NE - CZ - NH2 ANGL. DEV. = -5.7 DEGREES +REMARK 500 ASP A 66 CB - CG - OD1 ANGL. DEV. = 6.6 DEGREES +REMARK 500 ASP A 66 CB - CG - OD2 ANGL. DEV. = -7.2 DEGREES +REMARK 500 ARG A 68 NE - CZ - NH1 ANGL. DEV. = 8.8 DEGREES +REMARK 500 ARG A 68 NE - CZ - NH2 ANGL. DEV. = -6.5 DEGREES +REMARK 500 ARG A 73 NE - CZ - NH2 ANGL. DEV. = -4.4 DEGREES +REMARK 500 ASP A 87 CB - CG - OD1 ANGL. DEV. = 8.6 DEGREES +REMARK 500 ARG A 112 NE - CZ - NH1 ANGL. DEV. = 4.4 DEGREES +REMARK 500 ARG A 125 NE - CZ - NH2 ANGL. DEV. = -5.0 DEGREES +REMARK 500 ARG A 128 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: PLANAR GROUPS +REMARK 500 +REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL +REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE +REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN +REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS +REMARK 500 AN RMSD GREATER THAN THIS VALUE +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 M RES CSSEQI RMS TYPE +REMARK 500 ARG A 14 0.12 SIDE_CHAIN +REMARK 500 ARG A 21 0.21 SIDE_CHAIN +REMARK 500 ARG A 68 0.15 SIDE_CHAIN +REMARK 500 ARG A 73 0.25 SIDE_CHAIN +REMARK 500 ARG A 112 0.15 SIDE_CHAIN +REMARK 500 ARG A 114 0.13 SIDE_CHAIN +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY +REMARK 500 +REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY +REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER +REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; +REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 500 I=INSERTION CODE). +REMARK 500 +REMARK 500 M RES CSSEQI ANGLE +REMARK 500 ARG A 128 10.17 +REMARK 500 +REMARK 500 REMARK: NULL +DBREF 1AKI A 1 129 UNP P00698 LYSC_CHICK 19 147 +SEQRES 1 A 129 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS +SEQRES 2 A 129 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY +SEQRES 3 A 129 ASN TRP VAL CYS ALA ALA LYS PHE GLU SER ASN PHE ASN +SEQRES 4 A 129 THR GLN ALA THR ASN ARG ASN THR ASP GLY SER THR ASP +SEQRES 5 A 129 TYR GLY ILE LEU GLN ILE ASN SER ARG TRP TRP CYS ASN +SEQRES 6 A 129 ASP GLY ARG THR PRO GLY SER ARG ASN LEU CYS ASN ILE +SEQRES 7 A 129 PRO CYS SER ALA LEU LEU SER SER ASP ILE THR ALA SER +SEQRES 8 A 129 VAL ASN CYS ALA LYS LYS ILE VAL SER ASP GLY ASN GLY +SEQRES 9 A 129 MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS LYS GLY +SEQRES 10 A 129 THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG LEU +FORMUL 2 HOH *78(H2 O) +HELIX 1 1 ARG A 5 ARG A 14 1 10 +HELIX 2 2 TYR A 20 GLY A 22 5 3 +HELIX 3 3 LEU A 25 SER A 36 1 12 +HELIX 4 4 CYS A 80 LEU A 84 5 5 +HELIX 5 5 THR A 89 ASP A 101 1 13 +HELIX 6 6 GLY A 104 ALA A 107 5 4 +HELIX 7 7 VAL A 109 ARG A 114 1 6 +HELIX 8 8 VAL A 120 TRP A 123 5 4 +SHEET 1 A 2 THR A 43 ARG A 45 0 +SHEET 2 A 2 THR A 51 TYR A 53 -1 N ASP A 52 O ASN A 44 +SSBOND *** CYS A 6 CYS A 127 1555 1555 1.97 +SSBOND *** CYS A 30 CYS A 115 1555 1555 2.00 +SSBOND *** CYS A 64 CYS A 80 1555 1555 1.99 +SSBOND *** CYS A 76 CYS A 94 1555 1555 2.02 +CRYST1 59.062 68.451 30.517 90.00 90.00 90.00 P 21 21 21 4 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.016931 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.014609 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.032769 0.00000 +ATOM 1 N LYS A 1 35.365 22.342 -11.980 1.00 22.28 N +ATOM 2 CA LYS A 1 35.892 21.073 -11.427 1.00 21.12 C +ATOM 3 C LYS A 1 34.741 20.264 -10.844 1.00 16.85 C +ATOM 4 O LYS A 1 33.945 20.813 -10.081 1.00 18.94 O +ATOM 5 CB LYS A 1 36.872 21.435 -10.306 1.00 20.78 C +ATOM 6 CG LYS A 1 37.453 20.248 -9.565 1.00 18.47 C +ATOM 7 CD LYS A 1 38.688 20.649 -8.775 1.00 20.32 C +ATOM 8 CE LYS A 1 39.057 19.508 -7.837 1.00 24.76 C +ATOM 9 NZ LYS A 1 40.423 19.771 -7.299 1.00 28.27 N +ATOM 10 N VAL A 2 34.739 18.961 -11.042 1.00 19.96 N +ATOM 11 CA VAL A 2 33.903 17.998 -10.333 1.00 18.10 C +ATOM 12 C VAL A 2 34.800 17.312 -9.294 1.00 19.39 C +ATOM 13 O VAL A 2 35.759 16.605 -9.665 1.00 22.14 O +ATOM 14 CB VAL A 2 33.140 17.034 -11.232 1.00 16.81 C +ATOM 15 CG1 VAL A 2 32.251 16.084 -10.434 1.00 21.92 C +ATOM 16 CG2 VAL A 2 32.294 17.714 -12.290 1.00 19.46 C +ATOM 17 N PHE A 3 34.491 17.546 -8.038 1.00 19.89 N +ATOM 18 CA PHE A 3 35.185 16.903 -6.918 1.00 17.43 C +ATOM 19 C PHE A 3 34.742 15.441 -6.771 1.00 15.70 C +ATOM 20 O PHE A 3 33.525 15.162 -6.862 1.00 18.52 O +ATOM 21 CB PHE A 3 34.967 17.632 -5.594 1.00 17.94 C +ATOM 22 CG PHE A 3 35.944 18.737 -5.375 1.00 16.78 C +ATOM 23 CD1 PHE A 3 35.666 20.050 -5.798 1.00 15.97 C +ATOM 24 CD2 PHE A 3 37.000 18.557 -4.473 1.00 19.95 C +ATOM 25 CE1 PHE A 3 36.577 21.076 -5.568 1.00 17.32 C +ATOM 26 CE2 PHE A 3 37.869 19.589 -4.157 1.00 17.65 C +ATOM 27 CZ PHE A 3 37.636 20.873 -4.666 1.00 17.91 C +ATOM 28 N GLY A 4 35.724 14.639 -6.331 1.00 16.79 N +ATOM 29 CA GLY A 4 35.366 13.280 -5.870 1.00 16.34 C +ATOM 30 C GLY A 4 34.924 13.420 -4.415 1.00 11.91 C +ATOM 31 O GLY A 4 35.303 14.403 -3.781 1.00 16.23 O +ATOM 32 N ARG A 5 34.053 12.538 -3.973 1.00 14.65 N +ATOM 33 CA ARG A 5 33.565 12.538 -2.588 1.00 15.91 C +ATOM 34 C ARG A 5 34.665 12.734 -1.556 1.00 15.38 C +ATOM 35 O ARG A 5 34.669 13.651 -0.704 1.00 13.15 O +ATOM 36 CB ARG A 5 32.765 11.262 -2.331 1.00 17.38 C +ATOM 37 CG ARG A 5 32.213 11.203 -0.920 1.00 13.79 C +ATOM 38 CD ARG A 5 31.375 10.001 -0.722 1.00 15.84 C +ATOM 39 NE ARG A 5 32.059 8.749 -0.958 1.00 18.74 N +ATOM 40 CZ ARG A 5 32.733 8.011 -0.097 1.00 15.19 C +ATOM 41 NH1 ARG A 5 32.836 8.332 1.187 1.00 17.50 N +ATOM 42 NH2 ARG A 5 33.245 6.836 -0.526 1.00 23.44 N +ATOM 43 N CYS A 6 35.674 11.853 -1.612 1.00 14.07 N +ATOM 44 CA CYS A 6 36.781 11.870 -0.654 1.00 14.62 C +ATOM 45 C CYS A 6 37.747 13.050 -0.777 1.00 10.99 C +ATOM 46 O CYS A 6 38.148 13.609 0.264 1.00 16.34 O +ATOM 47 CB CYS A 6 37.491 10.532 -0.621 1.00 16.90 C +ATOM 48 SG CYS A 6 36.540 9.205 0.140 1.00 18.61 S +ATOM 49 N GLU A 7 37.861 13.481 -2.019 1.00 14.24 N +ATOM 50 CA GLU A 7 38.685 14.686 -2.311 1.00 13.83 C +ATOM 51 C GLU A 7 38.049 15.926 -1.658 1.00 14.86 C +ATOM 52 O GLU A 7 38.744 16.729 -1.011 1.00 15.01 O +ATOM 53 CB GLU A 7 38.784 14.846 -3.818 1.00 14.85 C +ATOM 54 CG GLU A 7 39.540 16.051 -4.379 1.00 18.50 C +ATOM 55 CD GLU A 7 39.576 16.242 -5.870 1.00 20.16 C +ATOM 56 OE1 GLU A 7 38.672 15.644 -6.491 1.00 26.20 O +ATOM 57 OE2 GLU A 7 40.415 16.953 -6.381 1.00 25.49 O +ATOM 58 N LEU A 8 36.743 16.049 -1.819 1.00 15.18 N +ATOM 59 CA LEU A 8 35.964 17.158 -1.255 1.00 12.72 C +ATOM 60 C LEU A 8 36.051 17.132 0.266 1.00 9.45 C +ATOM 61 O LEU A 8 36.159 18.166 0.920 1.00 13.45 O +ATOM 62 CB LEU A 8 34.528 17.172 -1.811 1.00 14.31 C +ATOM 63 CG LEU A 8 33.718 18.354 -1.305 1.00 15.95 C +ATOM 64 CD1 LEU A 8 34.297 19.656 -1.841 1.00 16.56 C +ATOM 65 CD2 LEU A 8 32.246 18.143 -1.596 1.00 15.88 C +ATOM 66 N ALA A 9 35.754 15.980 0.828 1.00 14.24 N +ATOM 67 CA ALA A 9 35.838 15.757 2.284 1.00 13.25 C +ATOM 68 C ALA A 9 37.144 16.314 2.840 1.00 12.89 C +ATOM 69 O ALA A 9 37.151 16.978 3.897 1.00 14.78 O +ATOM 70 CB ALA A 9 35.656 14.287 2.623 1.00 13.89 C +ATOM 71 N ALA A 10 38.272 15.983 2.204 1.00 12.54 N +ATOM 72 CA ALA A 10 39.610 16.431 2.616 1.00 16.58 C +ATOM 73 C ALA A 10 39.736 17.944 2.459 1.00 15.35 C +ATOM 74 O ALA A 10 40.193 18.499 3.469 1.00 17.40 O +ATOM 75 CB ALA A 10 40.708 15.706 1.842 1.00 15.49 C +ATOM 76 N ALA A 11 39.227 18.519 1.385 1.00 13.54 N +ATOM 77 CA ALA A 11 39.264 19.982 1.223 1.00 15.23 C +ATOM 78 C ALA A 11 38.491 20.702 2.321 1.00 15.68 C +ATOM 79 O ALA A 11 38.946 21.658 2.953 1.00 16.87 O +ATOM 80 CB ALA A 11 38.869 20.421 -0.175 1.00 14.12 C +ATOM 81 N MET A 12 37.288 20.214 2.590 1.00 15.47 N +ATOM 82 CA MET A 12 36.398 20.781 3.612 1.00 13.69 C +ATOM 83 C MET A 12 36.990 20.715 5.007 1.00 12.55 C +ATOM 84 O MET A 12 36.906 21.637 5.840 1.00 17.69 O +ATOM 85 CB MET A 12 34.993 20.213 3.515 1.00 11.18 C +ATOM 86 CG MET A 12 34.320 20.724 2.265 1.00 15.06 C +ATOM 87 SD MET A 12 32.634 19.986 2.235 1.00 17.81 S +ATOM 88 CE MET A 12 31.788 21.135 1.138 1.00 18.08 C +ATOM 89 N LYS A 13 37.688 19.628 5.314 1.00 12.42 N +ATOM 90 CA LYS A 13 38.387 19.385 6.579 1.00 14.58 C +ATOM 91 C LYS A 13 39.460 20.467 6.731 1.00 14.55 C +ATOM 92 O LYS A 13 39.507 21.137 7.776 1.00 16.49 O +ATOM 93 CB LYS A 13 38.934 17.952 6.572 1.00 15.36 C +ATOM 94 CG LYS A 13 39.742 17.555 7.798 1.00 20.46 C +ATOM 95 CD LYS A 13 38.973 16.777 8.834 1.00 23.53 C +ATOM 96 CE LYS A 13 39.293 15.305 8.751 1.00 26.37 C +ATOM 97 NZ LYS A 13 38.077 14.461 8.946 1.00 30.88 N +ATOM 98 N ARG A 14 40.267 20.629 5.688 1.00 18.91 N +ATOM 99 CA ARG A 14 41.387 21.577 5.713 1.00 17.66 C +ATOM 100 C ARG A 14 40.927 23.017 5.881 1.00 16.78 C +ATOM 101 O ARG A 14 41.557 23.834 6.584 1.00 20.06 O +ATOM 102 CB ARG A 14 42.388 21.351 4.601 1.00 20.89 C +ATOM 103 CG ARG A 14 42.173 22.079 3.289 1.00 25.07 C +ATOM 104 CD ARG A 14 43.444 22.075 2.490 1.00 23.98 C +ATOM 105 NE ARG A 14 43.687 20.710 2.012 1.00 31.92 N +ATOM 106 CZ ARG A 14 43.098 20.255 0.892 1.00 26.04 C +ATOM 107 NH1 ARG A 14 42.695 21.186 0.018 1.00 33.46 N +ATOM 108 NH2 ARG A 14 42.949 18.957 0.689 1.00 25.91 N +ATOM 109 N HIS A 15 39.681 23.247 5.463 1.00 17.84 N +ATOM 110 CA HIS A 15 39.075 24.591 5.526 1.00 15.99 C +ATOM 111 C HIS A 15 38.310 24.861 6.814 1.00 17.70 C +ATOM 112 O HIS A 15 37.608 25.875 6.952 1.00 22.68 O +ATOM 113 CB HIS A 15 38.223 24.918 4.285 1.00 19.19 C +ATOM 114 CG HIS A 15 39.085 25.388 3.171 1.00 20.14 C +ATOM 115 ND1 HIS A 15 39.457 24.635 2.091 1.00 24.53 N +ATOM 116 CD2 HIS A 15 39.739 26.570 2.993 1.00 24.44 C +ATOM 117 CE1 HIS A 15 40.211 25.312 1.258 1.00 20.68 C +ATOM 118 NE2 HIS A 15 40.524 26.419 1.889 1.00 27.34 N +ATOM 119 N GLY A 16 38.296 23.927 7.720 1.00 17.50 N +ATOM 120 CA GLY A 16 37.765 24.025 9.072 1.00 18.71 C +ATOM 121 C GLY A 16 36.264 23.799 9.210 1.00 18.40 C +ATOM 122 O GLY A 16 35.646 24.400 10.127 1.00 21.57 O +ATOM 123 N LEU A 17 35.665 23.073 8.274 1.00 17.56 N +ATOM 124 CA LEU A 17 34.238 22.795 8.298 1.00 15.38 C +ATOM 125 C LEU A 17 33.845 21.682 9.266 1.00 18.28 C +ATOM 126 O LEU A 17 32.643 21.594 9.552 1.00 18.24 O +ATOM 127 CB LEU A 17 33.648 22.647 6.901 1.00 15.02 C +ATOM 128 CG LEU A 17 33.451 23.889 6.060 1.00 16.08 C +ATOM 129 CD1 LEU A 17 32.933 23.420 4.705 1.00 13.83 C +ATOM 130 CD2 LEU A 17 32.556 24.946 6.679 1.00 18.60 C +ATOM 131 N ASP A 18 34.785 20.814 9.605 1.00 16.36 N +ATOM 132 CA ASP A 18 34.492 19.722 10.526 1.00 16.25 C +ATOM 133 C ASP A 18 34.015 20.222 11.901 1.00 17.32 C +ATOM 134 O ASP A 18 34.826 20.778 12.658 1.00 20.27 O +ATOM 135 CB ASP A 18 35.557 18.633 10.598 1.00 19.37 C +ATOM 136 CG ASP A 18 35.017 17.408 11.311 1.00 20.25 C +ATOM 137 OD1 ASP A 18 33.805 17.154 11.455 1.00 21.00 O +ATOM 138 OD2 ASP A 18 35.925 16.603 11.662 1.00 27.06 O +ATOM 139 N ASN A 19 32.746 19.990 12.205 1.00 18.55 N +ATOM 140 CA ASN A 19 32.123 20.431 13.448 1.00 17.19 C +ATOM 141 C ASN A 19 31.854 21.941 13.497 1.00 16.61 C +ATOM 142 O ASN A 19 31.426 22.398 14.573 1.00 18.56 O +ATOM 143 CB ASN A 19 32.767 20.004 14.770 1.00 18.92 C +ATOM 144 CG ASN A 19 32.162 20.512 16.064 1.00 24.64 C +ATOM 145 OD1 ASN A 19 30.967 20.273 16.355 1.00 32.53 O +ATOM 146 ND2 ASN A 19 32.847 21.361 16.852 1.00 24.14 N +ATOM 147 N TYR A 20 31.969 22.650 12.406 1.00 16.84 N +ATOM 148 CA TYR A 20 31.707 24.099 12.411 1.00 15.54 C +ATOM 149 C TYR A 20 30.231 24.343 12.759 1.00 15.81 C +ATOM 150 O TYR A 20 29.288 23.874 12.118 1.00 16.89 O +ATOM 151 CB TYR A 20 32.070 24.736 11.066 1.00 18.16 C +ATOM 152 CG TYR A 20 32.061 26.250 11.144 1.00 20.28 C +ATOM 153 CD1 TYR A 20 33.141 26.886 11.760 1.00 21.42 C +ATOM 154 CD2 TYR A 20 30.979 27.004 10.691 1.00 20.44 C +ATOM 155 CE1 TYR A 20 33.206 28.277 11.794 1.00 22.24 C +ATOM 156 CE2 TYR A 20 31.018 28.399 10.779 1.00 21.36 C +ATOM 157 CZ TYR A 20 32.102 29.017 11.383 1.00 19.38 C +ATOM 158 OH TYR A 20 32.136 30.371 11.525 1.00 26.77 O +ATOM 159 N ARG A 21 30.088 25.142 13.803 1.00 18.43 N +ATOM 160 CA ARG A 21 28.774 25.553 14.319 1.00 15.68 C +ATOM 161 C ARG A 21 27.964 24.312 14.623 1.00 15.17 C +ATOM 162 O ARG A 21 26.733 24.333 14.606 1.00 18.36 O +ATOM 163 CB ARG A 21 28.014 26.565 13.453 1.00 19.21 C +ATOM 164 CG ARG A 21 28.507 27.995 13.535 1.00 21.50 C +ATOM 165 CD ARG A 21 28.110 28.755 14.765 1.00 25.00 C +ATOM 166 NE ARG A 21 29.319 29.321 15.324 1.00 30.37 N +ATOM 167 CZ ARG A 21 30.215 30.234 14.978 1.00 29.02 C +ATOM 168 NH1 ARG A 21 31.501 29.856 14.846 1.00 29.04 N +ATOM 169 NH2 ARG A 21 29.938 31.437 14.495 1.00 31.89 N +ATOM 170 N GLY A 22 28.689 23.250 14.998 1.00 17.81 N +ATOM 171 CA GLY A 22 28.103 22.021 15.519 1.00 17.72 C +ATOM 172 C GLY A 22 27.748 21.018 14.436 1.00 18.89 C +ATOM 173 O GLY A 22 27.085 20.022 14.784 1.00 23.26 O +ATOM 174 N TYR A 23 28.209 21.230 13.216 1.00 18.20 N +ATOM 175 CA TYR A 23 27.887 20.318 12.111 1.00 15.42 C +ATOM 176 C TYR A 23 29.124 19.533 11.628 1.00 16.30 C +ATOM 177 O TYR A 23 30.045 20.191 11.139 1.00 16.66 O +ATOM 178 CB TYR A 23 27.351 21.107 10.913 1.00 15.82 C +ATOM 179 CG TYR A 23 26.001 21.745 11.127 1.00 15.96 C +ATOM 180 CD1 TYR A 23 24.846 20.962 11.139 1.00 14.81 C +ATOM 181 CD2 TYR A 23 25.897 23.096 11.458 1.00 16.60 C +ATOM 182 CE1 TYR A 23 23.600 21.518 11.422 1.00 17.08 C +ATOM 183 CE2 TYR A 23 24.647 23.673 11.726 1.00 19.34 C +ATOM 184 CZ TYR A 23 23.518 22.881 11.701 1.00 19.21 C +ATOM 185 OH TYR A 23 22.289 23.438 11.912 1.00 25.61 O +ATOM 186 N SER A 24 29.029 18.223 11.810 1.00 15.35 N +ATOM 187 CA SER A 24 30.143 17.347 11.414 1.00 16.89 C +ATOM 188 C SER A 24 30.359 17.379 9.895 1.00 15.61 C +ATOM 189 O SER A 24 29.442 17.687 9.139 1.00 13.88 O +ATOM 190 CB SER A 24 29.922 15.934 11.907 1.00 17.54 C +ATOM 191 OG SER A 24 28.799 15.336 11.308 1.00 19.85 O +ATOM 192 N LEU A 25 31.593 17.028 9.540 1.00 16.08 N +ATOM 193 CA LEU A 25 32.035 17.092 8.138 1.00 13.16 C +ATOM 194 C LEU A 25 31.030 16.437 7.183 1.00 13.39 C +ATOM 195 O LEU A 25 30.874 16.924 6.056 1.00 15.34 O +ATOM 196 CB LEU A 25 33.410 16.409 8.084 1.00 13.47 C +ATOM 197 CG LEU A 25 34.015 16.477 6.689 1.00 12.91 C +ATOM 198 CD1 LEU A 25 34.174 17.929 6.289 1.00 13.04 C +ATOM 199 CD2 LEU A 25 35.398 15.810 6.752 1.00 14.54 C +ATOM 200 N GLY A 26 30.501 15.280 7.576 1.00 13.10 N +ATOM 201 CA GLY A 26 29.539 14.561 6.756 1.00 13.88 C +ATOM 202 C GLY A 26 28.338 15.378 6.277 1.00 12.12 C +ATOM 203 O GLY A 26 27.886 15.250 5.120 1.00 13.13 O +ATOM 204 N ASN A 27 27.905 16.281 7.161 1.00 12.16 N +ATOM 205 CA ASN A 27 26.827 17.227 6.857 1.00 14.74 C +ATOM 206 C ASN A 27 27.164 18.015 5.597 1.00 15.43 C +ATOM 207 O ASN A 27 26.317 18.208 4.720 1.00 15.27 O +ATOM 208 CB ASN A 27 26.484 18.126 8.054 1.00 12.34 C +ATOM 209 CG ASN A 27 25.681 17.267 9.048 1.00 12.22 C +ATOM 210 OD1 ASN A 27 24.511 16.933 8.820 1.00 17.40 O +ATOM 211 ND2 ASN A 27 26.348 17.052 10.169 1.00 18.27 N +ATOM 212 N TRP A 28 28.344 18.591 5.583 1.00 16.78 N +ATOM 213 CA TRP A 28 28.831 19.475 4.513 1.00 16.49 C +ATOM 214 C TRP A 28 28.940 18.741 3.183 1.00 12.99 C +ATOM 215 O TRP A 28 28.742 19.321 2.090 1.00 13.97 O +ATOM 216 CB TRP A 28 30.104 20.145 5.023 1.00 14.55 C +ATOM 217 CG TRP A 28 29.941 20.978 6.251 1.00 11.93 C +ATOM 218 CD1 TRP A 28 30.176 20.624 7.546 1.00 14.42 C +ATOM 219 CD2 TRP A 28 29.319 22.284 6.287 1.00 13.11 C +ATOM 220 NE1 TRP A 28 29.924 21.690 8.365 1.00 16.94 N +ATOM 221 CE2 TRP A 28 29.337 22.679 7.641 1.00 14.07 C +ATOM 222 CE3 TRP A 28 28.894 23.168 5.295 1.00 15.97 C +ATOM 223 CZ2 TRP A 28 28.913 23.943 8.038 1.00 18.07 C +ATOM 224 CZ3 TRP A 28 28.398 24.404 5.682 1.00 18.26 C +ATOM 225 CH2 TRP A 28 28.431 24.766 7.025 1.00 17.18 C +ATOM 226 N VAL A 29 29.572 17.543 3.261 1.00 13.00 N +ATOM 227 CA VAL A 29 29.729 16.711 2.047 1.00 14.15 C +ATOM 228 C VAL A 29 28.379 16.340 1.429 1.00 10.43 C +ATOM 229 O VAL A 29 28.166 16.496 0.228 1.00 13.40 O +ATOM 230 CB VAL A 29 30.649 15.492 2.359 1.00 12.76 C +ATOM 231 CG1 VAL A 29 30.782 14.596 1.136 1.00 15.37 C +ATOM 232 CG2 VAL A 29 32.010 16.050 2.772 1.00 14.18 C +ATOM 233 N CYS A 30 27.501 15.906 2.299 1.00 15.32 N +ATOM 234 CA CYS A 30 26.115 15.567 1.991 1.00 15.59 C +ATOM 235 C CYS A 30 25.388 16.723 1.302 1.00 12.37 C +ATOM 236 O CYS A 30 24.894 16.516 0.172 1.00 14.44 O +ATOM 237 CB CYS A 30 25.343 15.046 3.172 1.00 14.99 C +ATOM 238 SG CYS A 30 23.719 14.376 2.695 1.00 17.71 S +ATOM 239 N ALA A 31 25.533 17.913 1.870 1.00 16.06 N +ATOM 240 CA ALA A 31 24.949 19.130 1.305 1.00 15.82 C +ATOM 241 C ALA A 31 25.487 19.354 -0.115 1.00 15.34 C +ATOM 242 O ALA A 31 24.675 19.686 -0.998 1.00 16.00 O +ATOM 243 CB ALA A 31 25.167 20.335 2.200 1.00 14.90 C +ATOM 244 N ALA A 32 26.807 19.354 -0.286 1.00 11.93 N +ATOM 245 CA ALA A 32 27.461 19.536 -1.579 1.00 13.08 C +ATOM 246 C ALA A 32 26.943 18.538 -2.620 1.00 12.38 C +ATOM 247 O ALA A 32 26.767 18.857 -3.789 1.00 13.89 O +ATOM 248 CB ALA A 32 28.982 19.476 -1.398 1.00 14.17 C +ATOM 249 N LYS A 33 26.731 17.303 -2.193 1.00 15.16 N +ATOM 250 CA LYS A 33 26.261 16.216 -3.037 1.00 16.16 C +ATOM 251 C LYS A 33 24.903 16.555 -3.658 1.00 15.04 C +ATOM 252 O LYS A 33 24.806 16.511 -4.890 1.00 15.00 O +ATOM 253 CB LYS A 33 26.221 14.860 -2.351 1.00 16.71 C +ATOM 254 CG LYS A 33 25.697 13.696 -3.185 1.00 19.51 C +ATOM 255 CD LYS A 33 26.498 13.400 -4.446 1.00 17.12 C +ATOM 256 CE LYS A 33 25.686 12.464 -5.331 1.00 24.06 C +ATOM 257 NZ LYS A 33 26.423 11.979 -6.525 1.00 26.78 N +ATOM 258 N PHE A 34 23.972 16.946 -2.817 1.00 16.81 N +ATOM 259 CA PHE A 34 22.569 17.125 -3.247 1.00 17.51 C +ATOM 260 C PHE A 34 22.346 18.506 -3.836 1.00 18.19 C +ATOM 261 O PHE A 34 21.504 18.692 -4.759 1.00 20.21 O +ATOM 262 CB PHE A 34 21.626 16.673 -2.130 1.00 18.58 C +ATOM 263 CG PHE A 34 21.644 15.172 -1.965 1.00 22.22 C +ATOM 264 CD1 PHE A 34 21.209 14.353 -3.007 1.00 20.24 C +ATOM 265 CD2 PHE A 34 22.272 14.627 -0.851 1.00 20.00 C +ATOM 266 CE1 PHE A 34 21.372 12.961 -2.910 1.00 22.03 C +ATOM 267 CE2 PHE A 34 22.443 13.245 -0.743 1.00 21.96 C +ATOM 268 CZ PHE A 34 21.923 12.406 -1.737 1.00 20.77 C +ATOM 269 N GLU A 35 23.251 19.415 -3.451 1.00 15.27 N +ATOM 270 CA GLU A 35 23.178 20.789 -3.996 1.00 15.45 C +ATOM 271 C GLU A 35 23.661 20.944 -5.423 1.00 17.45 C +ATOM 272 O GLU A 35 23.014 21.514 -6.310 1.00 17.91 O +ATOM 273 CB GLU A 35 23.698 21.892 -3.107 1.00 14.42 C +ATOM 274 CG GLU A 35 22.994 22.212 -1.809 1.00 11.08 C +ATOM 275 CD GLU A 35 21.631 22.846 -1.864 1.00 13.55 C +ATOM 276 OE1 GLU A 35 21.408 23.360 -2.981 1.00 20.77 O +ATOM 277 OE2 GLU A 35 20.947 23.032 -0.874 1.00 22.72 O +ATOM 278 N SER A 36 24.867 20.483 -5.674 1.00 15.66 N +ATOM 279 CA SER A 36 25.626 20.615 -6.903 1.00 17.79 C +ATOM 280 C SER A 36 26.139 19.341 -7.569 1.00 16.97 C +ATOM 281 O SER A 36 26.750 19.464 -8.642 1.00 21.78 O +ATOM 282 CB SER A 36 26.830 21.528 -6.654 1.00 18.12 C +ATOM 283 OG SER A 36 27.747 20.951 -5.748 1.00 15.16 O +ATOM 284 N ASN A 37 25.957 18.222 -6.927 1.00 20.15 N +ATOM 285 CA ASN A 37 26.628 16.968 -7.297 1.00 20.85 C +ATOM 286 C ASN A 37 28.149 17.091 -7.302 1.00 19.72 C +ATOM 287 O ASN A 37 28.813 16.627 -8.254 1.00 20.79 O +ATOM 288 CB ASN A 37 26.028 16.490 -8.617 1.00 20.82 C +ATOM 289 CG ASN A 37 26.156 14.980 -8.782 1.00 23.63 C +ATOM 290 OD1 ASN A 37 26.640 14.266 -7.885 1.00 28.05 O +ATOM 291 ND2 ASN A 37 25.867 14.506 -9.990 1.00 29.61 N +ATOM 292 N PHE A 38 28.691 17.882 -6.383 1.00 16.12 N +ATOM 293 CA PHE A 38 30.129 18.115 -6.279 1.00 14.75 C +ATOM 294 C PHE A 38 30.717 18.903 -7.448 1.00 13.86 C +ATOM 295 O PHE A 38 31.923 18.794 -7.702 1.00 16.66 O +ATOM 296 CB PHE A 38 30.914 16.823 -6.047 1.00 17.09 C +ATOM 297 CG PHE A 38 30.487 16.006 -4.863 1.00 15.96 C +ATOM 298 CD1 PHE A 38 30.100 16.572 -3.655 1.00 15.43 C +ATOM 299 CD2 PHE A 38 30.507 14.603 -4.993 1.00 17.66 C +ATOM 300 CE1 PHE A 38 29.766 15.808 -2.558 1.00 16.83 C +ATOM 301 CE2 PHE A 38 30.136 13.814 -3.891 1.00 15.86 C +ATOM 302 CZ PHE A 38 29.835 14.410 -2.646 1.00 18.90 C +ATOM 303 N ASN A 39 29.936 19.792 -8.033 1.00 17.63 N +ATOM 304 CA ASN A 39 30.341 20.573 -9.199 1.00 16.77 C +ATOM 305 C ASN A 39 30.543 22.034 -8.823 1.00 17.13 C +ATOM 306 O ASN A 39 29.544 22.649 -8.423 1.00 17.24 O +ATOM 307 CB ASN A 39 29.406 20.300 -10.366 1.00 17.40 C +ATOM 308 CG ASN A 39 29.876 20.771 -11.716 1.00 16.96 C +ATOM 309 OD1 ASN A 39 30.579 21.750 -11.956 1.00 23.22 O +ATOM 310 ND2 ASN A 39 29.578 19.864 -12.653 1.00 26.35 N +ATOM 311 N THR A 40 31.766 22.492 -8.928 1.00 14.88 N +ATOM 312 CA THR A 40 32.139 23.869 -8.657 1.00 16.08 C +ATOM 313 C THR A 40 31.504 24.890 -9.589 1.00 16.31 C +ATOM 314 O THR A 40 31.316 26.054 -9.213 1.00 17.50 O +ATOM 315 CB THR A 40 33.684 24.103 -8.422 1.00 17.07 C +ATOM 316 OG1 THR A 40 34.270 24.156 -9.775 1.00 23.76 O +ATOM 317 CG2 THR A 40 34.414 23.119 -7.491 1.00 16.46 C +ATOM 318 N GLN A 41 31.001 24.430 -10.706 1.00 16.39 N +ATOM 319 CA GLN A 41 30.524 25.291 -11.812 1.00 16.67 C +ATOM 320 C GLN A 41 28.993 25.381 -11.874 1.00 15.44 C +ATOM 321 O GLN A 41 28.504 26.019 -12.837 1.00 18.55 O +ATOM 322 CB GLN A 41 31.047 24.817 -13.168 1.00 19.65 C +ATOM 323 CG GLN A 41 32.549 25.004 -13.279 1.00 21.26 C +ATOM 324 CD GLN A 41 32.763 26.236 -14.129 1.00 26.23 C +ATOM 325 OE1 GLN A 41 32.356 26.308 -15.291 1.00 24.68 O +ATOM 326 NE2 GLN A 41 33.276 27.231 -13.420 1.00 25.96 N +ATOM 327 N ALA A 42 28.329 24.640 -11.012 1.00 15.95 N +ATOM 328 CA ALA A 42 26.859 24.579 -11.061 1.00 17.42 C +ATOM 329 C ALA A 42 26.257 25.969 -10.807 1.00 18.93 C +ATOM 330 O ALA A 42 26.645 26.686 -9.884 1.00 17.00 O +ATOM 331 CB ALA A 42 26.355 23.604 -9.998 1.00 22.79 C +ATOM 332 N THR A 43 25.276 26.293 -11.643 1.00 18.30 N +ATOM 333 CA THR A 43 24.441 27.490 -11.476 1.00 17.73 C +ATOM 334 C THR A 43 22.976 27.112 -11.714 1.00 19.61 C +ATOM 335 O THR A 43 22.715 26.271 -12.594 1.00 22.06 O +ATOM 336 CB THR A 43 24.814 28.728 -12.375 1.00 17.58 C +ATOM 337 OG1 THR A 43 24.555 28.321 -13.756 1.00 20.94 O +ATOM 338 CG2 THR A 43 26.247 29.213 -12.184 1.00 18.26 C +ATOM 339 N ASN A 44 22.088 27.742 -10.971 1.00 19.77 N +ATOM 340 CA ASN A 44 20.640 27.497 -11.108 1.00 19.51 C +ATOM 341 C ASN A 44 19.903 28.842 -10.963 1.00 14.85 C +ATOM 342 O ASN A 44 20.169 29.600 -10.033 1.00 19.43 O +ATOM 343 CB ASN A 44 20.155 26.480 -10.080 1.00 19.93 C +ATOM 344 CG ASN A 44 18.646 26.315 -10.115 1.00 22.01 C +ATOM 345 OD1 ASN A 44 18.128 25.720 -11.078 1.00 29.53 O +ATOM 346 ND2 ASN A 44 17.906 26.927 -9.188 1.00 22.94 N +ATOM 347 N ARG A 45 19.058 29.117 -11.924 1.00 16.90 N +ATOM 348 CA ARG A 45 18.303 30.363 -12.015 1.00 18.37 C +ATOM 349 C ARG A 45 16.955 30.163 -11.326 1.00 18.76 C +ATOM 350 O ARG A 45 16.396 29.062 -11.425 1.00 20.87 O +ATOM 351 CB ARG A 45 18.143 30.836 -13.462 1.00 19.30 C +ATOM 352 CG ARG A 45 17.012 31.859 -13.557 1.00 23.98 C +ATOM 353 CD ARG A 45 17.502 33.134 -12.930 1.00 23.36 C +ATOM 354 NE ARG A 45 18.311 33.758 -13.981 1.00 29.56 N +ATOM 355 CZ ARG A 45 17.620 34.271 -15.020 1.00 27.18 C +ATOM 356 NH1 ARG A 45 16.287 34.331 -15.098 1.00 31.99 N +ATOM 357 NH2 ARG A 45 18.374 34.698 -16.030 1.00 32.43 N +ATOM 358 N ASN A 46 16.553 31.171 -10.554 1.00 18.13 N +ATOM 359 CA ASN A 46 15.304 31.071 -9.782 1.00 20.10 C +ATOM 360 C ASN A 46 14.261 32.063 -10.313 1.00 17.35 C +ATOM 361 O ASN A 46 14.617 33.104 -10.880 1.00 19.15 O +ATOM 362 CB ASN A 46 15.576 31.229 -8.295 1.00 20.05 C +ATOM 363 CG ASN A 46 16.543 30.240 -7.679 1.00 20.12 C +ATOM 364 OD1 ASN A 46 17.659 30.661 -7.346 1.00 21.21 O +ATOM 365 ND2 ASN A 46 16.125 28.975 -7.600 1.00 19.44 N +ATOM 366 N THR A 47 13.027 31.834 -9.887 1.00 19.96 N +ATOM 367 CA THR A 47 11.871 32.654 -10.246 1.00 19.12 C +ATOM 368 C THR A 47 12.001 34.107 -9.810 1.00 19.44 C +ATOM 369 O THR A 47 11.600 34.969 -10.606 1.00 23.16 O +ATOM 370 CB THR A 47 10.499 32.017 -9.789 1.00 17.70 C +ATOM 371 OG1 THR A 47 10.507 32.195 -8.342 1.00 23.76 O +ATOM 372 CG2 THR A 47 10.331 30.554 -10.188 1.00 22.66 C +ATOM 373 N ASP A 48 12.625 34.377 -8.683 1.00 19.25 N +ATOM 374 CA ASP A 48 12.885 35.716 -8.168 1.00 17.33 C +ATOM 375 C ASP A 48 14.010 36.505 -8.823 1.00 17.71 C +ATOM 376 O ASP A 48 14.246 37.621 -8.309 1.00 23.04 O +ATOM 377 CB ASP A 48 13.023 35.735 -6.640 1.00 18.02 C +ATOM 378 CG ASP A 48 14.367 35.174 -6.168 1.00 17.88 C +ATOM 379 OD1 ASP A 48 15.104 34.602 -6.991 1.00 18.55 O +ATOM 380 OD2 ASP A 48 14.750 35.442 -5.013 1.00 22.86 O +ATOM 381 N GLY A 49 14.650 36.018 -9.862 1.00 17.62 N +ATOM 382 CA GLY A 49 15.744 36.702 -10.546 1.00 17.27 C +ATOM 383 C GLY A 49 17.147 36.315 -10.096 1.00 16.80 C +ATOM 384 O GLY A 49 18.168 36.688 -10.694 1.00 20.27 O +ATOM 385 N SER A 50 17.173 35.661 -8.930 1.00 19.61 N +ATOM 386 CA SER A 50 18.435 35.225 -8.279 1.00 14.28 C +ATOM 387 C SER A 50 18.977 33.963 -8.941 1.00 18.09 C +ATOM 388 O SER A 50 18.273 33.255 -9.697 1.00 16.76 O +ATOM 389 CB SER A 50 18.272 35.089 -6.781 1.00 17.64 C +ATOM 390 OG SER A 50 17.530 33.930 -6.463 1.00 17.54 O +ATOM 391 N THR A 51 20.271 33.766 -8.734 1.00 16.00 N +ATOM 392 CA THR A 51 20.970 32.557 -9.202 1.00 13.82 C +ATOM 393 C THR A 51 21.718 31.969 -8.000 1.00 14.58 C +ATOM 394 O THR A 51 22.160 32.712 -7.119 1.00 13.28 O +ATOM 395 CB THR A 51 21.904 32.908 -10.419 1.00 12.66 C +ATOM 396 OG1 THR A 51 21.099 33.576 -11.407 1.00 17.65 O +ATOM 397 CG2 THR A 51 22.686 31.699 -10.952 1.00 14.39 C +ATOM 398 N ASP A 52 21.708 30.650 -7.927 1.00 14.66 N +ATOM 399 CA ASP A 52 22.528 29.900 -6.959 1.00 13.43 C +ATOM 400 C ASP A 52 23.843 29.488 -7.635 1.00 12.35 C +ATOM 401 O ASP A 52 23.847 29.066 -8.805 1.00 15.18 O +ATOM 402 CB ASP A 52 21.765 28.649 -6.554 1.00 14.12 C +ATOM 403 CG ASP A 52 20.396 28.991 -6.002 1.00 20.03 C +ATOM 404 OD1 ASP A 52 20.220 29.928 -5.237 1.00 21.30 O +ATOM 405 OD2 ASP A 52 19.517 28.144 -6.222 1.00 20.92 O +ATOM 406 N TYR A 53 24.924 29.734 -6.905 1.00 14.56 N +ATOM 407 CA TYR A 53 26.278 29.604 -7.450 1.00 13.61 C +ATOM 408 C TYR A 53 27.161 28.595 -6.708 1.00 12.70 C +ATOM 409 O TYR A 53 27.289 28.606 -5.486 1.00 13.36 O +ATOM 410 CB TYR A 53 26.993 30.972 -7.489 1.00 12.10 C +ATOM 411 CG TYR A 53 26.437 31.959 -8.487 1.00 11.48 C +ATOM 412 CD1 TYR A 53 26.843 32.003 -9.821 1.00 17.21 C +ATOM 413 CD2 TYR A 53 25.510 32.907 -8.050 1.00 14.42 C +ATOM 414 CE1 TYR A 53 26.291 32.922 -10.717 1.00 17.40 C +ATOM 415 CE2 TYR A 53 24.907 33.803 -8.932 1.00 12.97 C +ATOM 416 CZ TYR A 53 25.357 33.847 -10.252 1.00 15.91 C +ATOM 417 OH TYR A 53 24.864 34.804 -11.094 1.00 19.31 O +ATOM 418 N GLY A 54 27.751 27.721 -7.493 1.00 16.54 N +ATOM 419 CA GLY A 54 28.845 26.832 -7.121 1.00 15.67 C +ATOM 420 C GLY A 54 28.499 25.601 -6.290 1.00 10.78 C +ATOM 421 O GLY A 54 27.339 25.155 -6.255 1.00 13.16 O +ATOM 422 N ILE A 55 29.560 25.088 -5.684 1.00 15.43 N +ATOM 423 CA ILE A 55 29.452 23.795 -4.994 1.00 14.01 C +ATOM 424 C ILE A 55 28.424 23.748 -3.872 1.00 12.26 C +ATOM 425 O ILE A 55 27.770 22.697 -3.693 1.00 16.92 O +ATOM 426 CB ILE A 55 30.891 23.340 -4.563 1.00 16.64 C +ATOM 427 CG1 ILE A 55 30.785 21.812 -4.319 1.00 17.00 C +ATOM 428 CG2 ILE A 55 31.396 24.210 -3.390 1.00 18.87 C +ATOM 429 CD1 ILE A 55 32.101 21.018 -4.339 1.00 20.60 C +ATOM 430 N LEU A 56 28.216 24.881 -3.236 1.00 12.85 N +ATOM 431 CA LEU A 56 27.173 24.998 -2.203 1.00 14.96 C +ATOM 432 C LEU A 56 25.981 25.838 -2.659 1.00 11.08 C +ATOM 433 O LEU A 56 25.161 26.111 -1.774 1.00 16.40 O +ATOM 434 CB LEU A 56 27.816 25.424 -0.877 1.00 14.44 C +ATOM 435 CG LEU A 56 28.692 24.348 -0.204 1.00 14.92 C +ATOM 436 CD1 LEU A 56 29.331 24.997 1.008 1.00 18.78 C +ATOM 437 CD2 LEU A 56 27.808 23.177 0.192 1.00 19.47 C +ATOM 438 N GLN A 57 25.865 26.104 -3.946 1.00 14.17 N +ATOM 439 CA GLN A 57 24.668 26.785 -4.465 1.00 11.55 C +ATOM 440 C GLN A 57 24.277 27.940 -3.558 1.00 15.09 C +ATOM 441 O GLN A 57 23.116 28.031 -3.094 1.00 15.28 O +ATOM 442 CB GLN A 57 23.521 25.765 -4.549 1.00 13.56 C +ATOM 443 CG GLN A 57 23.733 24.790 -5.699 1.00 12.45 C +ATOM 444 CD GLN A 57 23.684 25.440 -7.069 1.00 14.21 C +ATOM 445 OE1 GLN A 57 22.574 25.602 -7.591 1.00 18.18 O +ATOM 446 NE2 GLN A 57 24.813 25.805 -7.651 1.00 14.86 N +ATOM 447 N ILE A 58 25.164 28.910 -3.428 1.00 14.04 N +ATOM 448 CA ILE A 58 24.930 30.118 -2.649 1.00 16.09 C +ATOM 449 C ILE A 58 24.204 31.163 -3.504 1.00 11.19 C +ATOM 450 O ILE A 58 24.555 31.405 -4.667 1.00 14.34 O +ATOM 451 CB ILE A 58 26.301 30.665 -2.134 1.00 14.90 C +ATOM 452 CG1 ILE A 58 26.751 29.724 -0.985 1.00 13.85 C +ATOM 453 CG2 ILE A 58 26.178 32.135 -1.693 1.00 15.47 C +ATOM 454 CD1 ILE A 58 28.246 29.954 -0.641 1.00 16.12 C +ATOM 455 N ASN A 59 23.145 31.671 -2.905 1.00 14.23 N +ATOM 456 CA ASN A 59 22.146 32.510 -3.590 1.00 10.60 C +ATOM 457 C ASN A 59 22.550 33.974 -3.730 1.00 13.03 C +ATOM 458 O ASN A 59 22.917 34.607 -2.740 1.00 18.49 O +ATOM 459 CB ASN A 59 20.805 32.306 -2.884 1.00 15.76 C +ATOM 460 CG ASN A 59 19.650 32.986 -3.588 1.00 15.71 C +ATOM 461 OD1 ASN A 59 19.464 34.171 -3.244 1.00 18.79 O +ATOM 462 ND2 ASN A 59 19.155 32.320 -4.612 1.00 16.44 N +ATOM 463 N SER A 60 22.268 34.485 -4.941 1.00 11.71 N +ATOM 464 CA SER A 60 22.570 35.910 -5.255 1.00 13.81 C +ATOM 465 C SER A 60 21.687 36.993 -4.642 1.00 15.28 C +ATOM 466 O SER A 60 22.054 38.177 -4.774 1.00 17.67 O +ATOM 467 CB SER A 60 22.643 36.139 -6.750 1.00 14.62 C +ATOM 468 OG SER A 60 21.432 36.007 -7.444 1.00 14.30 O +ATOM 469 N ARG A 61 20.526 36.660 -4.138 1.00 15.88 N +ATOM 470 CA ARG A 61 19.691 37.653 -3.434 1.00 18.54 C +ATOM 471 C ARG A 61 20.277 38.108 -2.106 1.00 19.97 C +ATOM 472 O ARG A 61 20.282 39.333 -1.876 1.00 26.30 O +ATOM 473 CB ARG A 61 18.267 37.195 -3.250 1.00 18.00 C +ATOM 474 CG ARG A 61 17.315 38.350 -2.959 1.00 20.10 C +ATOM 475 CD ARG A 61 16.063 37.657 -2.503 1.00 26.00 C +ATOM 476 NE ARG A 61 15.101 38.653 -2.063 1.00 29.28 N +ATOM 477 CZ ARG A 61 13.794 38.351 -2.111 1.00 29.36 C +ATOM 478 NH1 ARG A 61 13.439 37.257 -2.784 1.00 26.50 N +ATOM 479 NH2 ARG A 61 12.925 39.249 -1.646 1.00 32.93 N +ATOM 480 N TRP A 62 20.773 37.202 -1.273 1.00 16.51 N +ATOM 481 CA TRP A 62 21.321 37.563 0.032 1.00 16.06 C +ATOM 482 C TRP A 62 22.848 37.643 0.101 1.00 15.55 C +ATOM 483 O TRP A 62 23.323 38.396 0.968 1.00 18.96 O +ATOM 484 CB TRP A 62 20.833 36.611 1.134 1.00 17.91 C +ATOM 485 CG TRP A 62 19.360 36.361 1.096 1.00 18.99 C +ATOM 486 CD1 TRP A 62 18.719 35.247 0.643 1.00 20.47 C +ATOM 487 CD2 TRP A 62 18.326 37.305 1.427 1.00 20.79 C +ATOM 488 NE1 TRP A 62 17.360 35.457 0.609 1.00 21.70 N +ATOM 489 CE2 TRP A 62 17.090 36.696 1.096 1.00 21.11 C +ATOM 490 CE3 TRP A 62 18.333 38.584 1.965 1.00 19.84 C +ATOM 491 CZ2 TRP A 62 15.875 37.327 1.307 1.00 22.57 C +ATOM 492 CZ3 TRP A 62 17.115 39.208 2.186 1.00 23.93 C +ATOM 493 CH2 TRP A 62 15.906 38.611 1.814 1.00 19.55 C +ATOM 494 N TRP A 63 23.537 36.731 -0.584 1.00 16.01 N +ATOM 495 CA TRP A 63 24.906 36.398 -0.276 1.00 15.21 C +ATOM 496 C TRP A 63 26.089 36.924 -1.052 1.00 15.84 C +ATOM 497 O TRP A 63 27.142 37.177 -0.432 1.00 19.13 O +ATOM 498 CB TRP A 63 25.068 34.919 0.112 1.00 15.47 C +ATOM 499 CG TRP A 63 24.036 34.428 1.068 1.00 12.46 C +ATOM 500 CD1 TRP A 63 22.959 33.620 0.777 1.00 16.95 C +ATOM 501 CD2 TRP A 63 23.919 34.728 2.450 1.00 13.27 C +ATOM 502 NE1 TRP A 63 22.243 33.344 1.899 1.00 17.64 N +ATOM 503 CE2 TRP A 63 22.761 34.067 2.931 1.00 17.28 C +ATOM 504 CE3 TRP A 63 24.694 35.480 3.323 1.00 15.25 C +ATOM 505 CZ2 TRP A 63 22.393 34.133 4.278 1.00 18.56 C +ATOM 506 CZ3 TRP A 63 24.302 35.586 4.648 1.00 18.76 C +ATOM 507 CH2 TRP A 63 23.179 34.910 5.117 1.00 19.36 C +ATOM 508 N CYS A 64 25.962 36.914 -2.353 1.00 17.00 N +ATOM 509 CA CYS A 64 26.985 37.433 -3.271 1.00 15.76 C +ATOM 510 C CYS A 64 26.324 38.355 -4.286 1.00 15.97 C +ATOM 511 O CYS A 64 25.102 38.314 -4.475 1.00 13.75 O +ATOM 512 CB CYS A 64 27.638 36.265 -3.988 1.00 16.64 C +ATOM 513 SG CYS A 64 26.562 35.233 -5.007 1.00 17.83 S +ATOM 514 N ASN A 65 27.157 39.165 -4.908 1.00 17.73 N +ATOM 515 CA ASN A 65 26.700 40.134 -5.920 1.00 16.46 C +ATOM 516 C ASN A 65 26.985 39.646 -7.342 1.00 13.16 C +ATOM 517 O ASN A 65 28.130 39.316 -7.647 1.00 15.95 O +ATOM 518 CB ASN A 65 27.381 41.492 -5.712 1.00 19.19 C +ATOM 519 CG ASN A 65 26.910 42.423 -6.824 1.00 19.59 C +ATOM 520 OD1 ASN A 65 25.736 42.559 -7.141 1.00 23.26 O +ATOM 521 ND2 ASN A 65 27.914 42.938 -7.527 1.00 25.56 N +ATOM 522 N ASP A 66 25.920 39.484 -8.116 1.00 15.60 N +ATOM 523 CA ASP A 66 26.102 39.180 -9.545 1.00 15.28 C +ATOM 524 C ASP A 66 25.664 40.317 -10.460 1.00 15.23 C +ATOM 525 O ASP A 66 25.719 40.143 -11.673 1.00 17.91 O +ATOM 526 CB ASP A 66 25.462 37.858 -9.894 1.00 14.84 C +ATOM 527 CG ASP A 66 23.951 37.903 -9.833 1.00 12.12 C +ATOM 528 OD1 ASP A 66 23.288 38.898 -9.542 1.00 16.56 O +ATOM 529 OD2 ASP A 66 23.455 36.769 -10.048 1.00 16.91 O +ATOM 530 N GLY A 67 25.234 41.408 -9.860 1.00 18.13 N +ATOM 531 CA GLY A 67 24.817 42.607 -10.577 1.00 19.40 C +ATOM 532 C GLY A 67 23.544 42.553 -11.401 1.00 20.37 C +ATOM 533 O GLY A 67 23.191 43.542 -12.055 1.00 18.23 O +ATOM 534 N ARG A 68 22.822 41.441 -11.348 1.00 18.79 N +ATOM 535 CA ARG A 68 21.560 41.308 -12.092 1.00 19.77 C +ATOM 536 C ARG A 68 20.424 40.765 -11.243 1.00 18.48 C +ATOM 537 O ARG A 68 19.385 40.383 -11.795 1.00 21.54 O +ATOM 538 CB ARG A 68 21.746 40.454 -13.339 1.00 18.97 C +ATOM 539 CG ARG A 68 22.197 39.048 -12.946 1.00 18.77 C +ATOM 540 CD ARG A 68 22.477 38.187 -14.122 1.00 23.25 C +ATOM 541 NE ARG A 68 21.439 37.201 -14.281 1.00 29.75 N +ATOM 542 CZ ARG A 68 20.242 37.255 -14.855 1.00 28.71 C +ATOM 543 NH1 ARG A 68 19.503 38.311 -15.145 1.00 32.34 N +ATOM 544 NH2 ARG A 68 19.897 36.127 -15.497 1.00 33.10 N +ATOM 545 N THR A 69 20.590 40.896 -9.952 1.00 18.68 N +ATOM 546 CA THR A 69 19.607 40.408 -8.973 1.00 20.02 C +ATOM 547 C THR A 69 18.994 41.597 -8.224 1.00 16.46 C +ATOM 548 O THR A 69 19.683 42.241 -7.425 1.00 23.13 O +ATOM 549 CB THR A 69 20.208 39.384 -7.910 1.00 19.66 C +ATOM 550 OG1 THR A 69 20.851 38.334 -8.715 1.00 19.19 O +ATOM 551 CG2 THR A 69 19.123 38.863 -6.955 1.00 18.58 C +ATOM 552 N PRO A 70 17.687 41.741 -8.418 1.00 20.50 N +ATOM 553 CA PRO A 70 16.953 42.824 -7.733 1.00 21.73 C +ATOM 554 C PRO A 70 16.955 42.520 -6.242 1.00 22.11 C +ATOM 555 O PRO A 70 16.739 41.356 -5.886 1.00 27.13 O +ATOM 556 CB PRO A 70 15.557 42.749 -8.333 1.00 23.50 C +ATOM 557 CG PRO A 70 15.759 42.092 -9.671 1.00 24.66 C +ATOM 558 CD PRO A 70 16.887 41.095 -9.463 1.00 21.80 C +ATOM 559 N GLY A 71 17.163 43.493 -5.401 1.00 21.67 N +ATOM 560 CA GLY A 71 17.135 43.383 -3.947 1.00 24.03 C +ATOM 561 C GLY A 71 18.328 42.710 -3.287 1.00 26.98 C +ATOM 562 O GLY A 71 18.257 42.257 -2.126 1.00 32.77 O +ATOM 563 N SER A 72 19.418 42.627 -4.018 1.00 26.40 N +ATOM 564 CA SER A 72 20.665 41.976 -3.588 1.00 26.94 C +ATOM 565 C SER A 72 21.139 42.582 -2.276 1.00 24.66 C +ATOM 566 O SER A 72 21.055 43.819 -2.125 1.00 29.91 O +ATOM 567 CB SER A 72 21.659 42.002 -4.737 1.00 25.16 C +ATOM 568 OG SER A 72 23.015 41.835 -4.343 1.00 32.21 O +ATOM 569 N ARG A 73 21.646 41.775 -1.369 1.00 22.51 N +ATOM 570 CA ARG A 73 22.254 42.196 -0.113 1.00 22.60 C +ATOM 571 C ARG A 73 23.774 42.058 0.029 1.00 22.33 C +ATOM 572 O ARG A 73 24.425 42.749 0.849 1.00 27.92 O +ATOM 573 CB ARG A 73 21.615 41.555 1.127 1.00 20.14 C +ATOM 574 CG ARG A 73 20.187 41.983 1.439 1.00 22.29 C +ATOM 575 CD ARG A 73 20.209 43.299 2.123 1.00 26.95 C +ATOM 576 NE ARG A 73 18.928 43.771 2.617 1.00 33.74 N +ATOM 577 CZ ARG A 73 17.980 44.302 1.823 1.00 33.76 C +ATOM 578 NH1 ARG A 73 17.841 43.934 0.544 1.00 35.78 N +ATOM 579 NH2 ARG A 73 17.571 45.545 2.146 1.00 33.83 N +ATOM 580 N ASN A 74 24.346 41.143 -0.705 1.00 17.74 N +ATOM 581 CA ASN A 74 25.780 40.833 -0.695 1.00 18.87 C +ATOM 582 C ASN A 74 26.315 40.718 0.731 1.00 16.22 C +ATOM 583 O ASN A 74 27.255 41.471 1.060 1.00 20.87 O +ATOM 584 CB ASN A 74 26.565 41.786 -1.589 1.00 19.51 C +ATOM 585 CG ASN A 74 27.982 41.328 -1.909 1.00 16.31 C +ATOM 586 OD1 ASN A 74 28.318 40.169 -1.652 1.00 18.61 O +ATOM 587 ND2 ASN A 74 28.838 42.192 -2.436 1.00 19.22 N +ATOM 588 N LEU A 75 25.723 39.860 1.544 1.00 15.25 N +ATOM 589 CA LEU A 75 26.153 39.690 2.930 1.00 14.82 C +ATOM 590 C LEU A 75 27.518 39.011 3.085 1.00 16.78 C +ATOM 591 O LEU A 75 28.167 39.197 4.141 1.00 22.00 O +ATOM 592 CB LEU A 75 25.009 39.055 3.733 1.00 16.64 C +ATOM 593 CG LEU A 75 23.815 39.998 3.979 1.00 17.08 C +ATOM 594 CD1 LEU A 75 22.574 39.193 4.336 1.00 25.82 C +ATOM 595 CD2 LEU A 75 24.156 40.969 5.110 1.00 20.95 C +ATOM 596 N CYS A 76 27.973 38.312 2.061 1.00 17.66 N +ATOM 597 CA CYS A 76 29.299 37.680 2.111 1.00 16.46 C +ATOM 598 C CYS A 76 30.390 38.598 1.589 1.00 15.66 C +ATOM 599 O CYS A 76 31.573 38.229 1.568 1.00 17.59 O +ATOM 600 CB CYS A 76 29.396 36.303 1.477 1.00 17.61 C +ATOM 601 SG CYS A 76 28.595 34.961 2.361 1.00 18.07 S +ATOM 602 N ASN A 77 29.964 39.681 0.971 1.00 18.55 N +ATOM 603 CA ASN A 77 30.827 40.725 0.395 1.00 19.18 C +ATOM 604 C ASN A 77 31.711 40.163 -0.702 1.00 16.58 C +ATOM 605 O ASN A 77 32.947 40.331 -0.689 1.00 21.61 O +ATOM 606 CB ASN A 77 31.589 41.488 1.483 1.00 17.72 C +ATOM 607 CG ASN A 77 32.126 42.812 0.957 1.00 20.20 C +ATOM 608 OD1 ASN A 77 31.351 43.589 0.396 1.00 28.77 O +ATOM 609 ND2 ASN A 77 33.430 43.012 1.047 1.00 27.05 N +ATOM 610 N ILE A 78 31.149 39.408 -1.616 1.00 18.88 N +ATOM 611 CA ILE A 78 31.904 38.780 -2.713 1.00 20.14 C +ATOM 612 C ILE A 78 31.099 38.850 -4.013 1.00 17.08 C +ATOM 613 O ILE A 78 29.864 38.688 -3.972 1.00 16.28 O +ATOM 614 CB ILE A 78 32.183 37.255 -2.384 1.00 19.93 C +ATOM 615 CG1 ILE A 78 30.882 36.639 -1.851 1.00 21.17 C +ATOM 616 CG2 ILE A 78 33.437 37.003 -1.524 1.00 24.25 C +ATOM 617 CD1 ILE A 78 30.936 35.120 -1.546 1.00 25.54 C +ATOM 618 N PRO A 79 31.828 38.795 -5.108 1.00 16.64 N +ATOM 619 CA PRO A 79 31.195 38.634 -6.421 1.00 19.12 C +ATOM 620 C PRO A 79 30.792 37.146 -6.446 1.00 14.71 C +ATOM 621 O PRO A 79 31.576 36.273 -6.005 1.00 17.48 O +ATOM 622 CB PRO A 79 32.261 38.967 -7.445 1.00 18.74 C +ATOM 623 CG PRO A 79 33.555 39.029 -6.710 1.00 18.97 C +ATOM 624 CD PRO A 79 33.276 39.023 -5.215 1.00 16.79 C +ATOM 625 N CYS A 80 29.629 36.908 -7.033 1.00 13.55 N +ATOM 626 CA CYS A 80 29.167 35.522 -7.236 1.00 14.33 C +ATOM 627 C CYS A 80 30.150 34.716 -8.073 1.00 13.92 C +ATOM 628 O CYS A 80 30.214 33.484 -7.880 1.00 16.74 O +ATOM 629 CB CYS A 80 27.749 35.338 -7.747 1.00 16.10 C +ATOM 630 SG CYS A 80 26.471 36.160 -6.762 1.00 16.97 S +ATOM 631 N SER A 81 30.769 35.294 -9.083 1.00 15.04 N +ATOM 632 CA SER A 81 31.775 34.671 -9.933 1.00 15.64 C +ATOM 633 C SER A 81 32.907 34.027 -9.109 1.00 14.90 C +ATOM 634 O SER A 81 33.338 32.939 -9.561 1.00 21.08 O +ATOM 635 CB SER A 81 32.381 35.643 -10.953 1.00 18.65 C +ATOM 636 OG SER A 81 33.035 36.681 -10.235 1.00 20.86 O +ATOM 637 N ALA A 82 33.226 34.572 -7.950 1.00 15.59 N +ATOM 638 CA ALA A 82 34.272 33.963 -7.107 1.00 18.01 C +ATOM 639 C ALA A 82 33.869 32.604 -6.540 1.00 18.75 C +ATOM 640 O ALA A 82 34.703 31.798 -6.081 1.00 19.60 O +ATOM 641 CB ALA A 82 34.722 34.930 -6.020 1.00 20.54 C +ATOM 642 N LEU A 83 32.571 32.338 -6.519 1.00 15.36 N +ATOM 643 CA LEU A 83 31.973 31.093 -6.042 1.00 18.66 C +ATOM 644 C LEU A 83 32.060 29.962 -7.049 1.00 17.84 C +ATOM 645 O LEU A 83 31.671 28.815 -6.739 1.00 21.50 O +ATOM 646 CB LEU A 83 30.618 31.424 -5.431 1.00 17.11 C +ATOM 647 CG LEU A 83 30.511 32.364 -4.244 1.00 16.65 C +ATOM 648 CD1 LEU A 83 29.040 32.573 -3.857 1.00 18.78 C +ATOM 649 CD2 LEU A 83 31.277 31.872 -3.020 1.00 20.62 C +ATOM 650 N LEU A 84 32.473 30.271 -8.267 1.00 17.31 N +ATOM 651 CA LEU A 84 32.610 29.295 -9.347 1.00 16.38 C +ATOM 652 C LEU A 84 34.047 28.841 -9.570 1.00 19.37 C +ATOM 653 O LEU A 84 34.334 28.243 -10.622 1.00 23.48 O +ATOM 654 CB LEU A 84 31.914 29.793 -10.614 1.00 20.87 C +ATOM 655 CG LEU A 84 30.446 30.183 -10.573 1.00 14.26 C +ATOM 656 CD1 LEU A 84 30.014 30.771 -11.916 1.00 21.15 C +ATOM 657 CD2 LEU A 84 29.597 28.942 -10.329 1.00 18.96 C +ATOM 658 N SER A 85 34.942 29.197 -8.676 1.00 21.00 N +ATOM 659 CA SER A 85 36.340 28.754 -8.727 1.00 20.86 C +ATOM 660 C SER A 85 36.474 27.245 -8.497 1.00 19.65 C +ATOM 661 O SER A 85 35.765 26.640 -7.681 1.00 20.62 O +ATOM 662 CB SER A 85 37.109 29.482 -7.633 1.00 20.91 C +ATOM 663 OG SER A 85 38.484 29.212 -7.834 1.00 26.88 O +ATOM 664 N SER A 86 37.619 26.742 -8.943 1.00 22.57 N +ATOM 665 CA SER A 86 38.008 25.343 -8.700 1.00 20.44 C +ATOM 666 C SER A 86 38.388 25.153 -7.233 1.00 19.98 C +ATOM 667 O SER A 86 38.314 24.055 -6.671 1.00 23.62 O +ATOM 668 CB SER A 86 39.107 24.868 -9.650 1.00 23.76 C +ATOM 669 OG SER A 86 38.401 24.215 -10.691 1.00 30.29 O +ATOM 670 N ASP A 87 38.846 26.244 -6.668 1.00 19.74 N +ATOM 671 CA ASP A 87 39.282 26.393 -5.271 1.00 18.72 C +ATOM 672 C ASP A 87 37.999 26.657 -4.471 1.00 17.93 C +ATOM 673 O ASP A 87 37.490 27.762 -4.712 1.00 20.06 O +ATOM 674 CB ASP A 87 40.221 27.607 -5.212 1.00 21.65 C +ATOM 675 CG ASP A 87 40.762 28.041 -3.869 1.00 23.98 C +ATOM 676 OD1 ASP A 87 40.335 27.702 -2.742 1.00 26.26 O +ATOM 677 OD2 ASP A 87 41.785 28.802 -3.933 1.00 32.04 O +ATOM 678 N ILE A 88 37.732 25.850 -3.461 1.00 15.96 N +ATOM 679 CA ILE A 88 36.515 26.089 -2.658 1.00 16.22 C +ATOM 680 C ILE A 88 36.582 27.142 -1.563 1.00 14.43 C +ATOM 681 O ILE A 88 35.600 27.315 -0.801 1.00 16.28 O +ATOM 682 CB ILE A 88 35.993 24.736 -2.046 1.00 16.45 C +ATOM 683 CG1 ILE A 88 36.920 24.200 -0.934 1.00 15.71 C +ATOM 684 CG2 ILE A 88 35.587 23.743 -3.163 1.00 19.87 C +ATOM 685 CD1 ILE A 88 36.363 23.226 0.137 1.00 17.47 C +ATOM 686 N THR A 89 37.742 27.786 -1.369 1.00 14.21 N +ATOM 687 CA THR A 89 37.913 28.772 -0.306 1.00 16.87 C +ATOM 688 C THR A 89 36.736 29.761 -0.161 1.00 11.06 C +ATOM 689 O THR A 89 36.341 29.983 1.000 1.00 13.83 O +ATOM 690 CB THR A 89 39.267 29.591 -0.423 1.00 18.61 C +ATOM 691 OG1 THR A 89 40.339 28.592 -0.514 1.00 20.24 O +ATOM 692 CG2 THR A 89 39.419 30.553 0.766 1.00 17.79 C +ATOM 693 N ALA A 90 36.507 30.482 -1.242 1.00 17.37 N +ATOM 694 CA ALA A 90 35.479 31.555 -1.244 1.00 16.63 C +ATOM 695 C ALA A 90 34.125 31.066 -0.735 1.00 14.09 C +ATOM 696 O ALA A 90 33.366 31.671 0.065 1.00 15.68 O +ATOM 697 CB ALA A 90 35.366 32.212 -2.617 1.00 17.13 C +ATOM 698 N SER A 91 33.746 29.919 -1.296 1.00 13.62 N +ATOM 699 CA SER A 91 32.494 29.220 -1.024 1.00 11.35 C +ATOM 700 C SER A 91 32.429 28.817 0.467 1.00 11.70 C +ATOM 701 O SER A 91 31.407 29.057 1.110 1.00 14.31 O +ATOM 702 CB SER A 91 32.282 28.035 -1.917 1.00 13.48 C +ATOM 703 OG SER A 91 32.020 28.335 -3.260 1.00 14.66 O +ATOM 704 N VAL A 92 33.502 28.211 0.953 1.00 13.17 N +ATOM 705 CA VAL A 92 33.595 27.846 2.381 1.00 13.44 C +ATOM 706 C VAL A 92 33.477 29.105 3.261 1.00 12.00 C +ATOM 707 O VAL A 92 32.716 29.020 4.244 1.00 13.83 O +ATOM 708 CB VAL A 92 34.890 27.038 2.650 1.00 11.69 C +ATOM 709 CG1 VAL A 92 35.125 26.987 4.151 1.00 16.05 C +ATOM 710 CG2 VAL A 92 34.776 25.672 2.013 1.00 15.64 C +ATOM 711 N ASN A 93 34.199 30.163 2.912 1.00 15.12 N +ATOM 712 CA ASN A 93 34.160 31.413 3.685 1.00 15.10 C +ATOM 713 C ASN A 93 32.747 32.034 3.803 1.00 9.80 C +ATOM 714 O ASN A 93 32.361 32.393 4.908 1.00 16.51 O +ATOM 715 CB ASN A 93 35.168 32.472 3.247 1.00 16.33 C +ATOM 716 CG ASN A 93 36.582 32.083 3.642 1.00 19.02 C +ATOM 717 OD1 ASN A 93 37.546 32.671 3.120 1.00 29.57 O +ATOM 718 ND2 ASN A 93 36.710 31.188 4.631 1.00 24.29 N +ATOM 719 N CYS A 94 32.096 31.996 2.670 1.00 15.72 N +ATOM 720 CA CYS A 94 30.695 32.449 2.633 1.00 13.58 C +ATOM 721 C CYS A 94 29.778 31.527 3.424 1.00 13.05 C +ATOM 722 O CYS A 94 28.973 32.025 4.236 1.00 16.42 O +ATOM 723 CB CYS A 94 30.291 32.704 1.185 1.00 12.05 C +ATOM 724 SG CYS A 94 28.644 33.431 1.046 1.00 15.81 S +ATOM 725 N ALA A 95 29.945 30.225 3.263 1.00 13.56 N +ATOM 726 CA ALA A 95 29.134 29.227 3.969 1.00 15.63 C +ATOM 727 C ALA A 95 29.236 29.330 5.491 1.00 10.80 C +ATOM 728 O ALA A 95 28.222 29.180 6.179 1.00 12.93 O +ATOM 729 CB ALA A 95 29.495 27.794 3.612 1.00 14.09 C +ATOM 730 N LYS A 96 30.424 29.628 5.987 1.00 11.19 N +ATOM 731 CA LYS A 96 30.627 29.912 7.419 1.00 13.27 C +ATOM 732 C LYS A 96 29.802 31.115 7.906 1.00 13.38 C +ATOM 733 O LYS A 96 29.296 31.011 9.027 1.00 15.75 O +ATOM 734 CB LYS A 96 32.100 30.112 7.775 1.00 12.67 C +ATOM 735 CG LYS A 96 32.874 28.792 7.697 1.00 11.93 C +ATOM 736 CD LYS A 96 34.358 29.071 7.879 1.00 15.55 C +ATOM 737 CE LYS A 96 35.205 27.816 7.938 1.00 18.03 C +ATOM 738 NZ LYS A 96 36.610 28.242 8.169 1.00 20.72 N +ATOM 739 N LYS A 97 29.660 32.101 7.049 1.00 12.90 N +ATOM 740 CA LYS A 97 28.811 33.263 7.379 1.00 16.43 C +ATOM 741 C LYS A 97 27.333 32.905 7.386 1.00 18.88 C +ATOM 742 O LYS A 97 26.570 33.318 8.272 1.00 19.20 O +ATOM 743 CB LYS A 97 29.087 34.456 6.470 1.00 18.97 C +ATOM 744 CG LYS A 97 30.537 34.927 6.563 1.00 19.81 C +ATOM 745 CD LYS A 97 30.841 36.073 5.610 1.00 22.00 C +ATOM 746 CE LYS A 97 32.340 36.293 5.510 1.00 23.71 C +ATOM 747 NZ LYS A 97 32.569 37.524 4.708 1.00 29.75 N +ATOM 748 N ILE A 98 26.897 32.127 6.416 1.00 15.72 N +ATOM 749 CA ILE A 98 25.520 31.693 6.266 1.00 16.36 C +ATOM 750 C ILE A 98 25.030 30.871 7.453 1.00 16.70 C +ATOM 751 O ILE A 98 24.059 31.254 8.126 1.00 18.80 O +ATOM 752 CB ILE A 98 25.307 30.997 4.896 1.00 15.14 C +ATOM 753 CG1 ILE A 98 25.643 31.910 3.702 1.00 13.63 C +ATOM 754 CG2 ILE A 98 23.887 30.386 4.817 1.00 15.62 C +ATOM 755 CD1 ILE A 98 25.620 31.204 2.321 1.00 17.82 C +ATOM 756 N VAL A 99 25.875 29.966 7.915 1.00 16.73 N +ATOM 757 CA VAL A 99 25.488 29.009 8.955 1.00 18.71 C +ATOM 758 C VAL A 99 25.431 29.697 10.316 1.00 20.36 C +ATOM 759 O VAL A 99 24.737 29.212 11.233 1.00 25.30 O +ATOM 760 CB VAL A 99 26.398 27.774 8.859 1.00 16.94 C +ATOM 761 CG1 VAL A 99 27.811 28.138 9.279 1.00 19.19 C +ATOM 762 CG2 VAL A 99 25.834 26.594 9.632 1.00 18.97 C +ATOM 763 N SER A 100 26.205 30.752 10.409 1.00 17.04 N +ATOM 764 CA SER A 100 26.297 31.529 11.650 1.00 23.81 C +ATOM 765 C SER A 100 25.124 32.495 11.765 1.00 24.03 C +ATOM 766 O SER A 100 24.995 33.131 12.820 1.00 28.66 O +ATOM 767 CB SER A 100 27.647 32.194 11.723 1.00 19.71 C +ATOM 768 OG SER A 100 28.714 31.264 11.818 1.00 25.04 O +ATOM 769 N ASP A 101 24.307 32.599 10.750 1.00 25.78 N +ATOM 770 CA ASP A 101 23.162 33.495 10.650 1.00 26.98 C +ATOM 771 C ASP A 101 21.924 33.183 11.481 1.00 28.34 C +ATOM 772 O ASP A 101 21.132 34.143 11.678 1.00 31.88 O +ATOM 773 CB ASP A 101 22.806 33.854 9.207 1.00 27.75 C +ATOM 774 CG ASP A 101 22.426 35.320 9.009 1.00 30.86 C +ATOM 775 OD1 ASP A 101 23.248 36.223 9.266 1.00 34.67 O +ATOM 776 OD2 ASP A 101 21.276 35.519 8.551 1.00 32.70 O +ATOM 777 N GLY A 102 21.723 31.942 11.887 1.00 28.87 N +ATOM 778 CA GLY A 102 20.622 31.656 12.823 1.00 30.67 C +ATOM 779 C GLY A 102 19.812 30.413 12.505 1.00 27.92 C +ATOM 780 O GLY A 102 19.195 29.898 13.458 1.00 30.42 O +ATOM 781 N ASN A 103 19.805 30.005 11.244 1.00 29.26 N +ATOM 782 CA ASN A 103 19.076 28.799 10.848 1.00 25.22 C +ATOM 783 C ASN A 103 19.990 27.600 10.597 1.00 22.06 C +ATOM 784 O ASN A 103 19.472 26.579 10.117 1.00 24.23 O +ATOM 785 CB ASN A 103 17.976 29.046 9.824 1.00 24.87 C +ATOM 786 CG ASN A 103 16.708 28.245 10.063 1.00 27.08 C +ATOM 787 OD1 ASN A 103 16.513 27.577 11.098 1.00 30.30 O +ATOM 788 ND2 ASN A 103 15.672 28.428 9.240 1.00 30.15 N +ATOM 789 N GLY A 104 21.240 27.711 10.997 1.00 23.20 N +ATOM 790 CA GLY A 104 22.177 26.567 10.860 1.00 19.51 C +ATOM 791 C GLY A 104 22.173 26.142 9.388 1.00 15.58 C +ATOM 792 O GLY A 104 22.151 27.040 8.541 1.00 22.50 O +ATOM 793 N MET A 105 22.185 24.847 9.115 1.00 17.51 N +ATOM 794 CA MET A 105 22.278 24.370 7.724 1.00 16.07 C +ATOM 795 C MET A 105 20.915 24.309 7.063 1.00 13.35 C +ATOM 796 O MET A 105 20.902 23.921 5.871 1.00 15.50 O +ATOM 797 CB MET A 105 23.036 23.048 7.632 1.00 19.32 C +ATOM 798 CG MET A 105 24.519 23.221 7.871 1.00 17.10 C +ATOM 799 SD MET A 105 25.379 21.660 7.491 1.00 20.27 S +ATOM 800 CE MET A 105 25.369 21.706 5.703 1.00 20.03 C +ATOM 801 N ASN A 106 19.896 24.839 7.735 1.00 14.64 N +ATOM 802 CA ASN A 106 18.557 24.898 7.103 1.00 18.58 C +ATOM 803 C ASN A 106 18.566 25.831 5.892 1.00 18.20 C +ATOM 804 O ASN A 106 17.678 25.748 5.021 1.00 22.14 O +ATOM 805 CB ASN A 106 17.420 25.150 8.084 1.00 19.18 C +ATOM 806 CG ASN A 106 17.207 23.938 8.967 1.00 19.21 C +ATOM 807 OD1 ASN A 106 16.836 22.867 8.443 1.00 24.65 O +ATOM 808 ND2 ASN A 106 17.542 24.047 10.255 1.00 25.28 N +ATOM 809 N ALA A 107 19.617 26.647 5.800 1.00 18.54 N +ATOM 810 CA ALA A 107 19.824 27.514 4.634 1.00 18.74 C +ATOM 811 C ALA A 107 20.007 26.744 3.329 1.00 16.80 C +ATOM 812 O ALA A 107 19.734 27.292 2.260 1.00 20.63 O +ATOM 813 CB ALA A 107 21.060 28.374 4.877 1.00 19.47 C +ATOM 814 N TRP A 108 20.371 25.465 3.434 1.00 16.46 N +ATOM 815 CA TRP A 108 20.532 24.624 2.241 1.00 14.68 C +ATOM 816 C TRP A 108 19.317 23.688 2.110 1.00 17.55 C +ATOM 817 O TRP A 108 19.240 22.816 2.993 1.00 20.05 O +ATOM 818 CB TRP A 108 21.840 23.826 2.338 1.00 16.18 C +ATOM 819 CG TRP A 108 23.000 24.736 2.026 1.00 15.50 C +ATOM 820 CD1 TRP A 108 23.360 25.234 0.803 1.00 15.45 C +ATOM 821 CD2 TRP A 108 23.798 25.437 2.991 1.00 15.57 C +ATOM 822 NE1 TRP A 108 24.414 26.102 0.952 1.00 17.40 N +ATOM 823 CE2 TRP A 108 24.711 26.237 2.272 1.00 15.78 C +ATOM 824 CE3 TRP A 108 23.833 25.426 4.379 1.00 12.79 C +ATOM 825 CZ2 TRP A 108 25.682 26.985 2.917 1.00 15.77 C +ATOM 826 CZ3 TRP A 108 24.773 26.200 5.033 1.00 16.28 C +ATOM 827 CH2 TRP A 108 25.691 26.960 4.298 1.00 16.65 C +ATOM 828 N VAL A 109 18.487 23.925 1.101 1.00 15.35 N +ATOM 829 CA VAL A 109 17.265 23.096 1.025 1.00 19.96 C +ATOM 830 C VAL A 109 17.573 21.611 0.884 1.00 17.16 C +ATOM 831 O VAL A 109 16.923 20.811 1.587 1.00 20.77 O +ATOM 832 CB VAL A 109 16.146 23.660 0.145 1.00 21.94 C +ATOM 833 CG1 VAL A 109 16.607 23.905 -1.285 1.00 27.84 C +ATOM 834 CG2 VAL A 109 14.901 22.783 0.136 1.00 21.22 C +ATOM 835 N ALA A 110 18.562 21.308 0.075 1.00 20.97 N +ATOM 836 CA ALA A 110 18.972 19.935 -0.237 1.00 18.78 C +ATOM 837 C ALA A 110 19.502 19.244 1.006 1.00 18.30 C +ATOM 838 O ALA A 110 19.197 18.046 1.174 1.00 18.47 O +ATOM 839 CB ALA A 110 19.857 19.777 -1.455 1.00 20.83 C +ATOM 840 N TRP A 111 20.121 19.983 1.892 1.00 16.62 N +ATOM 841 CA TRP A 111 20.551 19.500 3.202 1.00 15.74 C +ATOM 842 C TRP A 111 19.343 19.085 4.046 1.00 19.12 C +ATOM 843 O TRP A 111 19.284 17.986 4.643 1.00 16.20 O +ATOM 844 CB TRP A 111 21.486 20.451 3.925 1.00 14.63 C +ATOM 845 CG TRP A 111 21.858 19.904 5.252 1.00 14.87 C +ATOM 846 CD1 TRP A 111 22.856 18.975 5.486 1.00 18.11 C +ATOM 847 CD2 TRP A 111 21.199 20.093 6.504 1.00 16.63 C +ATOM 848 NE1 TRP A 111 22.848 18.592 6.808 1.00 17.16 N +ATOM 849 CE2 TRP A 111 21.798 19.221 7.435 1.00 16.77 C +ATOM 850 CE3 TRP A 111 20.182 20.959 6.908 1.00 15.16 C +ATOM 851 CZ2 TRP A 111 21.492 19.284 8.784 1.00 17.69 C +ATOM 852 CZ3 TRP A 111 19.818 20.954 8.240 1.00 16.88 C +ATOM 853 CH2 TRP A 111 20.443 20.110 9.162 1.00 19.73 C +ATOM 854 N ARG A 112 18.438 20.038 4.228 1.00 17.47 N +ATOM 855 CA ARG A 112 17.185 19.830 4.955 1.00 19.60 C +ATOM 856 C ARG A 112 16.472 18.593 4.391 1.00 17.68 C +ATOM 857 O ARG A 112 16.000 17.792 5.220 1.00 22.77 O +ATOM 858 CB ARG A 112 16.214 20.990 4.944 1.00 17.57 C +ATOM 859 CG ARG A 112 16.592 22.438 5.091 1.00 25.27 C +ATOM 860 CD ARG A 112 15.368 23.296 5.135 1.00 21.23 C +ATOM 861 NE ARG A 112 14.776 23.555 3.836 1.00 28.06 N +ATOM 862 CZ ARG A 112 14.785 24.695 3.143 1.00 27.89 C +ATOM 863 NH1 ARG A 112 15.596 25.721 3.383 1.00 30.12 N +ATOM 864 NH2 ARG A 112 13.717 25.008 2.398 1.00 30.39 N +ATOM 865 N ASN A 113 16.307 18.521 3.074 1.00 19.43 N +ATOM 866 CA ASN A 113 15.464 17.463 2.491 1.00 20.16 C +ATOM 867 C ASN A 113 16.111 16.083 2.586 1.00 21.26 C +ATOM 868 O ASN A 113 15.454 15.054 2.808 1.00 24.90 O +ATOM 869 CB ASN A 113 14.966 17.779 1.085 1.00 20.43 C +ATOM 870 CG ASN A 113 14.003 18.961 1.018 1.00 16.63 C +ATOM 871 OD1 ASN A 113 13.454 19.344 2.059 1.00 25.68 O +ATOM 872 ND2 ASN A 113 13.840 19.555 -0.159 1.00 22.00 N +ATOM 873 N ARG A 114 17.401 16.041 2.355 1.00 19.72 N +ATOM 874 CA ARG A 114 18.156 14.836 2.042 1.00 21.43 C +ATOM 875 C ARG A 114 19.258 14.440 2.991 1.00 22.71 C +ATOM 876 O ARG A 114 19.505 13.217 3.097 1.00 24.85 O +ATOM 877 CB ARG A 114 18.622 14.910 0.576 1.00 21.05 C +ATOM 878 CG ARG A 114 17.395 14.614 -0.300 1.00 26.59 C +ATOM 879 CD ARG A 114 17.729 14.399 -1.731 1.00 26.92 C +ATOM 880 NE ARG A 114 18.153 15.677 -2.301 1.00 33.46 N +ATOM 881 CZ ARG A 114 17.826 16.080 -3.535 1.00 32.00 C +ATOM 882 NH1 ARG A 114 17.378 15.225 -4.456 1.00 36.02 N +ATOM 883 NH2 ARG A 114 17.735 17.388 -3.796 1.00 36.05 N +ATOM 884 N CYS A 115 19.743 15.372 3.773 1.00 17.56 N +ATOM 885 CA CYS A 115 20.843 15.041 4.708 1.00 15.08 C +ATOM 886 C CYS A 115 20.448 14.933 6.159 1.00 16.64 C +ATOM 887 O CYS A 115 20.972 14.116 6.940 1.00 21.71 O +ATOM 888 CB CYS A 115 21.991 16.018 4.426 1.00 15.21 C +ATOM 889 SG CYS A 115 22.563 16.009 2.739 1.00 19.35 S +ATOM 890 N LYS A 116 19.714 15.918 6.619 1.00 18.76 N +ATOM 891 CA LYS A 116 19.332 16.085 8.025 1.00 19.14 C +ATOM 892 C LYS A 116 18.634 14.821 8.518 1.00 21.91 C +ATOM 893 O LYS A 116 17.819 14.234 7.785 1.00 24.78 O +ATOM 894 CB LYS A 116 18.492 17.363 8.126 1.00 21.01 C +ATOM 895 CG LYS A 116 17.930 17.512 9.547 1.00 21.28 C +ATOM 896 CD LYS A 116 16.745 18.481 9.554 1.00 25.86 C +ATOM 897 CE LYS A 116 16.658 19.147 10.918 1.00 25.58 C +ATOM 898 NZ LYS A 116 15.454 20.010 11.047 1.00 34.69 N +ATOM 899 N GLY A 117 19.152 14.318 9.635 1.00 26.39 N +ATOM 900 CA GLY A 117 18.558 13.126 10.267 1.00 29.06 C +ATOM 901 C GLY A 117 19.018 11.781 9.733 1.00 28.29 C +ATOM 902 O GLY A 117 18.499 10.733 10.164 1.00 31.90 O +ATOM 903 N THR A 118 19.892 11.802 8.740 1.00 26.88 N +ATOM 904 CA THR A 118 20.473 10.578 8.171 1.00 22.31 C +ATOM 905 C THR A 118 21.868 10.375 8.761 1.00 21.43 C +ATOM 906 O THR A 118 22.321 11.119 9.650 1.00 22.31 O +ATOM 907 CB THR A 118 20.440 10.571 6.598 1.00 18.59 C +ATOM 908 OG1 THR A 118 21.560 11.404 6.161 1.00 22.71 O +ATOM 909 CG2 THR A 118 19.095 11.104 6.074 1.00 21.13 C +ATOM 910 N ASP A 119 22.392 9.213 8.431 1.00 21.20 N +ATOM 911 CA ASP A 119 23.768 8.830 8.756 1.00 22.61 C +ATOM 912 C ASP A 119 24.713 9.543 7.779 1.00 20.13 C +ATOM 913 O ASP A 119 25.178 8.950 6.780 1.00 20.57 O +ATOM 914 CB ASP A 119 23.934 7.313 8.738 1.00 21.00 C +ATOM 915 CG ASP A 119 25.347 6.900 9.121 1.00 25.32 C +ATOM 916 OD1 ASP A 119 26.051 7.633 9.830 1.00 27.93 O +ATOM 917 OD2 ASP A 119 25.715 5.746 8.804 1.00 27.31 O +ATOM 918 N VAL A 120 24.988 10.793 8.094 1.00 23.41 N +ATOM 919 CA VAL A 120 25.886 11.637 7.306 1.00 20.10 C +ATOM 920 C VAL A 120 27.342 11.199 7.304 1.00 18.51 C +ATOM 921 O VAL A 120 28.099 11.604 6.406 1.00 19.95 O +ATOM 922 CB VAL A 120 25.721 13.134 7.630 1.00 19.91 C +ATOM 923 CG1 VAL A 120 24.356 13.655 7.183 1.00 23.59 C +ATOM 924 CG2 VAL A 120 26.088 13.478 9.055 1.00 20.79 C +ATOM 925 N GLN A 121 27.701 10.430 8.306 1.00 21.83 N +ATOM 926 CA GLN A 121 29.021 9.783 8.389 1.00 21.12 C +ATOM 927 C GLN A 121 29.317 8.861 7.207 1.00 20.78 C +ATOM 928 O GLN A 121 30.480 8.669 6.820 1.00 19.66 O +ATOM 929 CB GLN A 121 29.088 9.048 9.728 1.00 24.21 C +ATOM 930 CG GLN A 121 30.530 8.965 10.167 1.00 26.13 C +ATOM 931 CD GLN A 121 30.615 8.877 11.674 1.00 26.94 C +ATOM 932 OE1 GLN A 121 31.368 9.632 12.283 1.00 31.43 O +ATOM 933 NE2 GLN A 121 29.884 7.871 12.151 1.00 28.26 N +ATOM 934 N ALA A 122 28.300 8.271 6.576 1.00 17.62 N +ATOM 935 CA ALA A 122 28.390 7.548 5.311 1.00 19.46 C +ATOM 936 C ALA A 122 29.186 8.290 4.227 1.00 17.98 C +ATOM 937 O ALA A 122 30.031 7.710 3.523 1.00 21.35 O +ATOM 938 CB ALA A 122 26.999 7.244 4.783 1.00 18.29 C +ATOM 939 N TRP A 123 29.021 9.616 4.240 1.00 18.07 N +ATOM 940 CA TRP A 123 29.703 10.502 3.283 1.00 16.76 C +ATOM 941 C TRP A 123 31.218 10.581 3.392 1.00 16.76 C +ATOM 942 O TRP A 123 31.905 10.942 2.412 1.00 20.08 O +ATOM 943 CB TRP A 123 29.027 11.872 3.347 1.00 19.49 C +ATOM 944 CG TRP A 123 27.621 11.735 2.850 1.00 17.43 C +ATOM 945 CD1 TRP A 123 26.485 11.608 3.588 1.00 19.42 C +ATOM 946 CD2 TRP A 123 27.241 11.547 1.481 1.00 17.47 C +ATOM 947 NE1 TRP A 123 25.405 11.458 2.774 1.00 18.86 N +ATOM 948 CE2 TRP A 123 25.827 11.391 1.479 1.00 17.28 C +ATOM 949 CE3 TRP A 123 27.947 11.468 0.283 1.00 20.03 C +ATOM 950 CZ2 TRP A 123 25.111 11.184 0.311 1.00 18.33 C +ATOM 951 CZ3 TRP A 123 27.222 11.329 -0.886 1.00 20.85 C +ATOM 952 CH2 TRP A 123 25.835 11.127 -0.869 1.00 20.45 C +ATOM 953 N ILE A 124 31.741 10.269 4.554 1.00 14.19 N +ATOM 954 CA ILE A 124 33.186 10.292 4.801 1.00 16.82 C +ATOM 955 C ILE A 124 33.863 8.955 5.024 1.00 18.45 C +ATOM 956 O ILE A 124 35.100 8.892 5.134 1.00 21.02 O +ATOM 957 CB ILE A 124 33.504 11.403 5.863 1.00 17.69 C +ATOM 958 CG1 ILE A 124 32.956 10.984 7.234 1.00 18.86 C +ATOM 959 CG2 ILE A 124 33.024 12.804 5.387 1.00 21.01 C +ATOM 960 CD1 ILE A 124 33.729 11.437 8.488 1.00 22.81 C +ATOM 961 N ARG A 125 33.080 7.898 5.131 1.00 21.05 N +ATOM 962 CA ARG A 125 33.594 6.534 5.320 1.00 19.12 C +ATOM 963 C ARG A 125 34.311 6.113 4.036 1.00 17.52 C +ATOM 964 O ARG A 125 33.843 6.337 2.906 1.00 23.44 O +ATOM 965 CB ARG A 125 32.476 5.551 5.650 1.00 19.54 C +ATOM 966 CG ARG A 125 32.117 5.596 7.145 1.00 22.40 C +ATOM 967 CD ARG A 125 31.277 4.392 7.482 1.00 24.05 C +ATOM 968 NE ARG A 125 30.282 4.754 8.466 1.00 28.08 N +ATOM 969 CZ ARG A 125 28.984 4.993 8.331 1.00 23.40 C +ATOM 970 NH1 ARG A 125 28.334 4.690 7.207 1.00 23.69 N +ATOM 971 NH2 ARG A 125 28.392 5.549 9.392 1.00 23.77 N +ATOM 972 N GLY A 126 35.497 5.568 4.243 1.00 18.80 N +ATOM 973 CA GLY A 126 36.291 5.058 3.102 1.00 21.28 C +ATOM 974 C GLY A 126 37.334 6.066 2.658 1.00 22.50 C +ATOM 975 O GLY A 126 38.220 5.729 1.855 1.00 23.59 O +ATOM 976 N CYS A 127 37.335 7.221 3.297 1.00 19.05 N +ATOM 977 CA CYS A 127 38.234 8.333 2.961 1.00 19.13 C +ATOM 978 C CYS A 127 39.422 8.382 3.925 1.00 22.50 C +ATOM 979 O CYS A 127 39.206 8.267 5.138 1.00 21.64 O +ATOM 980 CB CYS A 127 37.453 9.628 2.990 1.00 18.75 C +ATOM 981 SG CYS A 127 36.010 9.816 1.936 1.00 19.93 S +ATOM 982 N ARG A 128 40.586 8.695 3.393 1.00 23.60 N +ATOM 983 CA ARG A 128 41.774 8.960 4.217 1.00 28.29 C +ATOM 984 C ARG A 128 41.820 10.438 4.578 1.00 25.64 C +ATOM 985 O ARG A 128 41.976 11.291 3.694 1.00 30.98 O +ATOM 986 CB ARG A 128 43.047 8.304 3.707 1.00 30.82 C +ATOM 987 CG ARG A 128 43.231 6.886 4.280 1.00 34.25 C +ATOM 988 CD ARG A 128 43.833 6.911 5.651 1.00 33.59 C +ATOM 989 NE ARG A 128 45.246 7.263 5.636 1.00 37.63 N +ATOM 990 CZ ARG A 128 45.862 8.258 6.281 1.00 38.37 C +ATOM 991 NH1 ARG A 128 45.241 9.069 7.151 1.00 38.97 N +ATOM 992 NH2 ARG A 128 47.134 8.554 5.973 1.00 40.22 N +ATOM 993 N LEU A 129 41.289 10.715 5.771 1.00 26.05 N +ATOM 994 CA LEU A 129 41.094 12.084 6.273 1.00 26.89 C +ATOM 995 C LEU A 129 42.119 12.382 7.370 1.00 29.58 C +ATOM 996 O LEU A 129 41.730 12.276 8.559 1.00 33.54 O +ATOM 997 CB LEU A 129 39.635 12.335 6.646 1.00 26.31 C +ATOM 998 CG LEU A 129 38.689 12.917 5.620 1.00 23.49 C +ATOM 999 CD1 LEU A 129 39.112 12.657 4.191 1.00 26.43 C +ATOM 1000 CD2 LEU A 129 37.310 12.325 5.886 1.00 25.15 C +ATOM 1001 OXT LEU A 129 43.232 12.675 6.905 1.00 34.20 O +TER 1002 LEU A 129 +HETATM 1003 O HOH A 130 23.434 40.063 -6.661 1.00 19.48 O +HETATM 1004 O HOH A 131 31.994 26.416 -6.047 0.90 22.43 O +HETATM 1005 O HOH A 132 30.250 13.337 9.787 0.98 20.93 O +HETATM 1006 O HOH A 133 22.384 42.331 -8.165 0.90 21.85 O +HETATM 1007 O HOH A 134 29.239 27.621 -3.670 1.00 17.47 O +HETATM 1008 O HOH A 135 29.464 37.761 -10.492 0.98 20.05 O +HETATM 1009 O HOH A 136 20.807 36.305 -11.082 1.00 18.47 O +HETATM 1010 O HOH A 137 41.318 17.849 -1.378 0.98 20.99 O +HETATM 1011 O HOH A 138 34.697 29.056 -4.039 0.89 22.31 O +HETATM 1012 O HOH A 139 26.871 17.298 13.496 1.00 20.31 O +HETATM 1013 O HOH A 140 32.131 11.050 -5.817 0.97 21.39 O +HETATM 1014 O HOH A 141 23.468 40.040 -2.372 0.91 23.40 O +HETATM 1015 O HOH A 142 21.390 45.524 -11.035 0.96 20.63 O +HETATM 1016 O HOH A 143 34.490 26.578 -5.741 0.75 22.11 O +HETATM 1017 O HOH A 144 16.422 34.139 -3.527 0.91 20.71 O +HETATM 1018 O HOH A 145 21.374 29.926 8.946 0.83 24.21 O +HETATM 1019 O HOH A 146 41.048 12.539 -0.011 0.70 22.71 O +HETATM 1020 O HOH A 147 32.794 35.686 2.558 0.78 20.71 O +HETATM 1021 O HOH A 148 49.648 8.964 6.343 0.83 21.93 O +HETATM 1022 O HOH A 149 14.452 34.901 -13.339 0.69 23.89 O +HETATM 1023 O HOH A 150 22.930 10.839 4.044 0.92 22.02 O +HETATM 1024 O HOH A 151 16.012 18.490 -2.200 0.85 24.37 O +HETATM 1025 O HOH A 152 12.130 21.587 3.044 0.78 24.35 O +HETATM 1026 O HOH A 153 15.684 38.922 -5.813 0.76 24.50 O +HETATM 1027 O HOH A 154 10.652 24.228 3.428 0.80 21.12 O +HETATM 1028 O HOH A 155 44.070 17.975 2.852 0.80 21.64 O +HETATM 1029 O HOH A 156 32.029 13.080 -8.110 0.85 20.63 O +HETATM 1030 O HOH A 157 36.425 19.613 15.174 0.56 23.44 O +HETATM 1031 O HOH A 158 37.941 30.505 -3.686 0.79 21.54 O +HETATM 1032 O HOH A 159 30.710 42.741 -6.289 0.72 22.79 O +HETATM 1033 O HOH A 160 23.922 44.367 -7.653 0.62 22.78 O +HETATM 1034 O HOH A 161 33.829 34.252 0.626 0.73 20.81 O +HETATM 1035 O HOH A 162 29.613 40.730 -9.602 0.78 22.12 O +HETATM 1036 O HOH A 163 23.563 7.995 4.406 0.58 22.93 O +HETATM 1037 O HOH A 164 31.511 42.362 -4.183 0.73 22.01 O +HETATM 1038 O HOH A 165 21.882 29.536 -15.013 0.81 22.04 O +HETATM 1039 O HOH A 166 37.763 20.913 9.782 0.86 21.57 O +HETATM 1040 O HOH A 167 42.338 17.481 5.165 0.65 22.17 O +HETATM 1041 O HOH A 168 23.344 39.739 -4.358 0.72 21.56 O +HETATM 1042 O HOH A 169 22.984 29.224 13.124 0.75 22.56 O +HETATM 1043 O HOH A 170 30.778 7.794 -3.514 0.65 21.58 O +HETATM 1044 O HOH A 171 42.965 14.657 4.991 0.63 23.91 O +HETATM 1045 O HOH A 172 36.927 17.948 -13.093 0.62 23.36 O +HETATM 1046 O HOH A 173 35.412 25.852 -11.575 0.58 23.42 O +HETATM 1047 O HOH A 174 37.428 32.540 -5.787 0.62 21.98 O +HETATM 1048 O HOH A 175 37.317 8.592 7.456 0.64 22.92 O +HETATM 1049 O HOH A 176 9.314 36.705 -11.546 0.69 23.77 O +HETATM 1050 O HOH A 177 39.972 23.760 -2.655 0.86 18.96 O +HETATM 1051 O HOH A 178 22.128 30.274 -0.543 0.76 18.78 O +HETATM 1052 O HOH A 179 22.244 15.813 10.000 0.68 19.66 O +HETATM 1053 O HOH A 180 40.729 9.223 0.292 0.64 20.15 O +HETATM 1054 O HOH A 181 12.500 15.267 4.097 0.56 20.12 O +HETATM 1055 O HOH A 182 20.372 28.618 -2.353 0.64 20.17 O +HETATM 1056 O HOH A 183 22.793 15.462 -6.673 0.63 20.60 O +HETATM 1057 O HOH A 184 23.138 31.809 15.121 0.55 20.90 O +HETATM 1058 O HOH A 185 22.671 38.691 8.245 0.48 21.16 O +HETATM 1059 O HOH A 186 33.966 33.112 6.837 0.59 19.45 O +HETATM 1060 O HOH A 187 19.572 25.423 -1.420 0.53 19.94 O +HETATM 1061 O HOH A 188 14.790 15.672 7.259 0.52 21.22 O +HETATM 1062 O HOH A 189 19.112 28.022 -14.647 0.49 19.83 O +HETATM 1063 O HOH A 190 17.302 39.059 -12.453 0.52 20.14 O +HETATM 1064 O HOH A 191 16.198 14.502 5.577 0.46 20.78 O +HETATM 1065 O HOH A 192 17.345 46.346 -7.080 0.50 18.13 O +HETATM 1066 O HOH A 193 14.992 31.300 -4.242 0.46 17.90 O +HETATM 1067 O HOH A 194 28.196 44.775 -3.148 0.44 18.15 O +HETATM 1068 O HOH A 195 29.479 13.863 -9.107 0.44 18.30 O +HETATM 1069 O HOH A 196 23.613 44.811 2.608 0.45 17.66 O +HETATM 1070 O HOH A 197 40.572 22.184 -6.358 0.42 18.06 O +HETATM 1071 O HOH A 198 12.475 31.860 -6.226 0.47 17.85 O +HETATM 1072 O HOH A 199 16.684 13.594 -5.832 0.31 18.51 O +HETATM 1073 O HOH A 200 27.534 38.059 -12.862 0.48 18.19 O +HETATM 1074 O HOH A 201 25.892 35.973 11.563 0.46 18.15 O +HETATM 1075 O HOH A 202 24.790 25.182 16.063 0.46 17.64 O +HETATM 1076 O HOH A 203 12.580 21.214 5.006 0.51 17.97 O +HETATM 1077 O HOH A 204 19.687 23.750 -4.851 0.37 18.08 O +HETATM 1078 O HOH A 205 27.098 35.956 -12.358 0.39 18.71 O +HETATM 1079 O HOH A 206 37.255 9.634 10.002 0.46 18.39 O +HETATM 1080 O HOH A 207 43.755 23.843 8.038 0.38 17.96 O +CONECT 48 981 +CONECT 238 889 +CONECT 513 630 +CONECT 601 724 +CONECT 630 513 +CONECT 724 601 +CONECT 889 238 +CONECT 981 48 +END diff --git a/biobb_wf_md_setup/tests/python/reference/step100_make_ndx/str_index.ndx b/biobb_wf_md_setup/tests/python/reference/step100_make_ndx/str_index.ndx new file mode 100644 index 0000000..002e61f --- /dev/null +++ b/biobb_wf_md_setup/tests/python/reference/step100_make_ndx/str_index.ndx @@ -0,0 +1,7484 @@ +[ System ] + 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 + 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 + 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 + 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 + 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 + 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 + 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 + 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 + 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 + 136 137 138 139 140 141 142 143 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21683 21684 21685 +21686 21687 21688 21689 21690 21691 21692 21693 21694 21695 21696 21697 21698 21699 21700 +21701 21702 21703 21704 21705 21706 21707 21708 21709 21710 21711 21712 21713 21714 21715 +21716 21717 21718 21719 21720 21721 21722 21723 21724 21725 21726 21727 21728 21729 21730 +21731 diff --git a/biobb_wf_md_setup/tests/python/reference/step10_mdrun_min/min.edr b/biobb_wf_md_setup/tests/python/reference/step10_mdrun_min/min.edr new file mode 100644 index 0000000..1ce2962 Binary files /dev/null and b/biobb_wf_md_setup/tests/python/reference/step10_mdrun_min/min.edr differ diff --git a/biobb_wf_md_setup/tests/python/reference/step10_mdrun_min/min.gro b/biobb_wf_md_setup/tests/python/reference/step10_mdrun_min/min.gro new file mode 100644 index 0000000..e1be78d --- /dev/null +++ b/biobb_wf_md_setup/tests/python/reference/step10_mdrun_min/min.gro @@ -0,0 +1,21734 @@ +Protein in water +21731 + 1LYS N 1 4.059 4.435 1.504 + 1LYS H1 2 3.986 4.415 1.437 + 1LYS H2 3 4.020 4.491 1.578 + 1LYS H3 4 4.132 4.487 1.456 + 1LYS CA 5 4.112 4.308 1.558 + 1LYS HA 6 4.159 4.253 1.477 + 1LYS CB 7 4.220 4.335 1.664 + 1LYS HB1 8 4.181 4.404 1.739 + 1LYS HB2 9 4.305 4.382 1.614 + 1LYS CG 10 4.271 4.209 1.735 + 1LYS HG1 11 4.300 4.134 1.661 + 1LYS HG2 12 4.192 4.168 1.798 + 1LYS CD 13 4.393 4.241 1.823 + 1LYS HD1 14 4.367 4.320 1.893 + 1LYS HD2 15 4.475 4.275 1.760 + 1LYS CE 16 4.435 4.116 1.900 + 1LYS HE1 17 4.456 4.035 1.829 + 1LYS HE2 18 4.353 4.083 1.965 + 1LYS NZ 19 4.555 4.140 1.982 + 1LYS HZ1 20 4.586 4.050 2.021 + 1LYS HZ2 21 4.632 4.178 1.928 + 1LYS HZ3 22 4.537 4.202 2.060 + 1LYS C 23 3.998 4.222 1.611 + 1LYS O 24 3.913 4.274 1.682 + 2VAL N 25 3.998 4.092 1.583 + 2VAL H 26 4.071 4.055 1.523 + 2VAL CA 27 3.916 3.993 1.656 + 2VAL HA 28 3.838 4.045 1.711 + 2VAL CB 29 3.847 3.892 1.563 + 2VAL HB 30 3.923 3.838 1.506 + 2VAL CG1 31 3.762 3.792 1.642 + 2VAL HG11 32 3.711 3.724 1.574 + 2VAL HG12 33 3.825 3.731 1.707 + 2VAL HG13 34 3.688 3.844 1.704 + 2VAL CG2 35 3.755 3.964 1.465 + 2VAL HG21 36 3.710 3.890 1.399 + 2VAL HG22 37 3.677 4.016 1.520 + 2VAL HG23 38 3.810 4.035 1.404 + 2VAL C 39 4.005 3.922 1.758 + 2VAL O 40 4.099 3.852 1.719 + 3PHE N 41 3.978 3.942 1.886 + 3PHE H 42 3.896 3.996 1.912 + 3PHE CA 43 4.056 3.879 1.994 + 3PHE HA 44 4.162 3.883 1.968 + 3PHE CB 45 4.035 3.955 2.125 + 3PHE HB1 46 4.050 3.884 2.206 + 3PHE HB2 47 3.933 3.991 2.132 + 3PHE CG 48 4.131 4.071 2.148 + 3PHE CD1 49 4.106 4.198 2.093 + 3PHE HD1 50 4.018 4.213 2.032 + 3PHE CE1 51 4.194 4.304 2.119 + 3PHE HE1 52 4.176 4.402 2.077 + 3PHE CZ 53 4.308 4.283 2.200 + 3PHE HZ 54 4.375 4.366 2.219 + 3PHE CE2 55 4.332 4.157 2.256 + 3PHE HE2 56 4.419 4.140 2.318 + 3PHE CD2 57 4.244 4.051 2.230 + 3PHE HD2 58 4.262 3.954 2.273 + 3PHE C 59 4.019 3.732 2.013 + 3PHE O 60 3.903 3.692 2.003 + 4GLY N 61 4.119 3.651 2.051 + 4GLY H 62 4.213 3.690 2.054 + 4GLY CA 63 4.095 3.521 2.113 + 4GLY HA1 64 4.190 3.470 2.127 + 4GLY HA2 65 4.032 3.460 2.048 + 4GLY C 66 4.028 3.535 2.251 + 4GLY O 67 4.050 3.634 2.320 + 5ARG N 68 3.950 3.435 2.295 + 5ARG H 69 3.939 3.354 2.234 + 5ARG CA 70 3.886 3.434 2.428 + 5ARG HA 71 3.820 3.520 2.436 + 5ARG CB 72 3.804 3.305 2.447 + 5ARG HB1 73 3.868 3.218 2.432 + 5ARG HB2 74 3.725 3.302 2.371 + 5ARG CG 75 3.739 3.296 2.587 + 5ARG HG1 76 3.679 3.386 2.602 + 5ARG HG2 77 3.816 3.293 2.663 + 5ARG CD 78 3.647 3.175 2.605 + 5ARG HD1 79 3.570 3.177 2.528 + 5ARG HD2 80 3.596 3.183 2.701 + 5ARG NE 81 3.717 3.045 2.599 + 5ARG HE 82 3.693 2.983 2.522 + 5ARG CZ 83 3.785 2.986 2.695 + 5ARG NH1 84 3.816 3.042 2.808 + 5ARG HH11 85 3.784 3.136 2.828 + 5ARG HH12 86 3.863 2.987 2.878 + 5ARG NH2 87 3.825 2.863 2.681 + 5ARG HH21 88 3.791 2.810 2.602 + 5ARG HH22 89 3.871 2.818 2.759 + 5ARG C 90 3.990 3.451 2.540 + 5ARG O 91 3.979 3.541 2.622 + 6CYS N 92 4.094 3.367 2.538 + 6CYS H 93 4.096 3.294 2.469 + 6CYS CA 94 4.203 3.374 2.636 + 6CYS HA 95 4.159 3.385 2.735 + 6CYS CB 96 4.282 3.243 2.631 + 6CYS HB1 97 4.370 3.255 2.695 + 6CYS HB2 98 4.317 3.226 2.530 + 6CYS SG 99 4.190 3.098 2.688 + 6CYS C 100 4.294 3.496 2.616 + 6CYS O 101 4.343 3.553 2.713 + 7GLU N 102 4.310 3.542 2.491 + 7GLU H 103 4.268 3.491 2.415 + 7GLU CA 104 4.389 3.661 2.459 + 7GLU HA 105 4.489 3.649 2.501 + 7GLU CB 106 4.398 3.673 2.307 + 7GLU HB1 107 4.300 3.697 2.268 + 7GLU HB2 108 4.431 3.578 2.264 + 7GLU CG 109 4.498 3.781 2.266 + 7GLU HG1 110 4.599 3.746 2.289 + 7GLU HG2 111 4.481 3.871 2.325 + 7GLU CD 112 4.490 3.821 2.118 + 7GLU OE1 113 4.385 3.799 2.052 + 7GLU OE2 114 4.588 3.886 2.074 + 7GLU C 115 4.326 3.787 2.521 + 7GLU O 116 4.395 3.868 2.584 + 8LEU N 117 4.194 3.802 2.507 + 8LEU H 118 4.142 3.734 2.452 + 8LEU CA 119 4.119 3.912 2.567 + 8LEU HA 120 4.170 4.005 2.539 + 8LEU CB 121 3.975 3.914 2.512 + 8LEU HB1 122 3.922 3.828 2.552 + 8LEU HB2 123 3.978 3.903 2.404 + 8LEU CG 124 3.898 4.043 2.546 + 8LEU HG 125 3.896 4.058 2.653 + 8LEU CD1 126 3.959 4.167 2.481 + 8LEU HD11 127 3.895 4.253 2.499 + 8LEU HD12 128 4.057 4.188 2.524 + 8LEU HD13 129 3.970 4.152 2.374 + 8LEU CD2 130 3.754 4.029 2.498 + 8LEU HD21 131 3.699 4.120 2.522 + 8LEU HD22 132 3.753 4.013 2.391 + 8LEU HD23 133 3.707 3.944 2.549 + 8LEU C 134 4.117 3.903 2.720 + 8LEU O 135 4.121 4.007 2.787 + 9ALA N 136 4.111 3.782 2.775 + 9ALA H 137 4.100 3.701 2.715 + 9ALA CA 138 4.117 3.760 2.919 + 9ALA HA 139 4.036 3.814 2.967 + 9ALA CB 140 4.096 3.611 2.949 + 9ALA HB1 141 4.089 3.596 3.056 + 9ALA HB2 142 4.003 3.577 2.903 + 9ALA HB3 143 4.178 3.552 2.910 + 9ALA C 144 4.249 3.815 2.977 + 9ALA O 145 4.246 3.894 3.071 + 10ALA N 146 4.364 3.782 2.916 + 10ALA H 147 4.361 3.716 2.839 + 10ALA CA 148 4.494 3.835 2.958 + 10ALA HA 149 4.506 3.816 3.065 + 10ALA CB 150 4.602 3.757 2.883 + 10ALA HB1 151 4.701 3.793 2.913 + 10ALA HB2 152 4.595 3.651 2.907 + 10ALA HB3 153 4.589 3.771 2.776 + 10ALA C 154 4.507 3.987 2.937 + 10ALA O 155 4.563 4.058 3.022 + 11ALA N 156 4.451 4.042 2.829 + 11ALA H 157 4.411 3.981 2.758 + 11ALA CA 158 4.449 4.187 2.807 + 11ALA HA 159 4.551 4.224 2.816 + 11ALA CB 160 4.401 4.215 2.664 + 11ALA HB1 161 4.408 4.322 2.643 + 11ALA HB2 162 4.463 4.161 2.593 + 11ALA HB3 163 4.298 4.183 2.652 + 11ALA C 164 4.366 4.262 2.914 + 11ALA O 165 4.414 4.355 2.977 + 12MET N 166 4.243 4.217 2.942 + 12MET H 167 4.208 4.137 2.890 + 12MET CA 168 4.160 4.278 3.046 + 12MET HA 169 4.160 4.386 3.031 + 12MET CB 170 4.016 4.228 3.034 + 12MET HB1 171 3.961 4.259 3.123 + 12MET HB2 172 4.016 4.119 3.031 + 12MET CG 173 3.943 4.283 2.911 + 12MET HG1 174 3.987 4.241 2.821 + 12MET HG2 175 3.955 4.392 2.908 + 12MET SD 176 3.767 4.244 2.918 + 12MET CE 177 3.701 4.324 2.771 + 12MET HE1 178 3.598 4.292 2.757 + 12MET HE2 179 3.703 4.432 2.784 + 12MET HE3 180 3.759 4.295 2.683 + 12MET C 181 4.216 4.255 3.188 + 12MET O 182 4.196 4.340 3.275 + 13LYS N 183 4.290 4.145 3.211 + 13LYS H 184 4.295 4.074 3.138 + 13LYS CA 185 4.366 4.123 3.334 + 13LYS HA 186 4.298 4.129 3.419 + 13LYS CB 187 4.431 3.983 3.333 + 13LYS HB1 188 4.506 3.979 3.254 + 13LYS HB2 189 4.356 3.907 3.310 + 13LYS CG 190 4.501 3.948 3.466 + 13LYS HG1 191 4.546 4.037 3.509 + 13LYS HG2 192 4.582 3.878 3.446 + 13LYS CD 193 4.405 3.886 3.569 + 13LYS HD1 194 4.304 3.923 3.552 + 13LYS HD2 195 4.436 3.917 3.669 + 13LYS CE 196 4.410 3.733 3.560 + 13LYS HE1 197 4.503 3.701 3.610 + 13LYS HE2 198 4.417 3.703 3.455 + 13LYS NZ 199 4.293 3.670 3.624 + 13LYS HZ1 200 4.320 3.589 3.680 + 13LYS HZ2 201 4.246 3.734 3.688 + 13LYS HZ3 202 4.224 3.642 3.556 + 13LYS C 203 4.471 4.232 3.354 + 13LYS O 204 4.468 4.300 3.456 + 14ARG N 205 4.561 4.256 3.256 + 14ARG H 206 4.558 4.196 3.174 + 14ARG CA 207 4.670 4.354 3.272 + 14ARG HA 208 4.719 4.332 3.367 + 14ARG CB 209 4.777 4.336 3.163 + 14ARG HB1 210 4.795 4.229 3.152 + 14ARG HB2 211 4.869 4.382 3.200 + 14ARG CG 212 4.747 4.396 3.025 + 14ARG HG1 213 4.731 4.504 3.035 + 14ARG HG2 214 4.658 4.350 2.983 + 14ARG CD 215 4.863 4.375 2.927 + 14ARG HD1 216 4.955 4.410 2.975 + 14ARG HD2 217 4.847 4.436 2.838 + 14ARG NE 218 4.880 4.233 2.890 + 14ARG HE 219 4.921 4.173 2.961 + 14ARG CZ 220 4.840 4.172 2.780 + 14ARG NH1 221 4.780 4.234 2.683 + 14ARG HH11 222 4.766 4.333 2.690 + 14ARG HH12 223 4.764 4.183 2.597 + 14ARG NH2 224 4.862 4.044 2.766 + 14ARG HH21 225 4.924 3.996 2.830 + 14ARG HH22 226 4.826 3.992 2.686 + 14ARG C 227 4.619 4.498 3.285 + 14ARG O 228 4.669 4.574 3.369 + 15HIS N 229 4.512 4.533 3.214 + 15HIS H 230 4.479 4.468 3.143 + 15HIS CA 231 4.440 4.660 3.230 + 15HIS HA 232 4.515 4.739 3.246 + 15HIS CB 233 4.368 4.696 3.099 + 15HIS HB1 234 4.308 4.785 3.116 + 15HIS HB2 235 4.302 4.614 3.070 + 15HIS CG 236 4.462 4.728 2.985 + 15HIS ND1 237 4.505 4.640 2.886 + 15HIS CE1 238 4.589 4.709 2.808 + 15HIS HE1 239 4.641 4.670 2.722 + 15HIS NE2 240 4.598 4.836 2.851 + 15HIS HE2 241 4.645 4.911 2.800 + 15HIS CD2 242 4.520 4.850 2.964 + 15HIS HD2 243 4.508 4.939 3.024 + 15HIS C 244 4.349 4.667 3.354 + 15HIS O 245 4.277 4.765 3.373 + 16GLY N 246 4.354 4.567 3.443 + 16GLY H 247 4.410 4.485 3.421 + 16GLY CA 248 4.302 4.574 3.580 + 16GLY HA1 249 4.336 4.667 3.626 + 16GLY HA2 250 4.344 4.491 3.637 + 16GLY C 251 4.150 4.568 3.593 + 16GLY O 252 4.095 4.631 3.683 + 17LEU N 253 4.081 4.496 3.504 + 17LEU H 254 4.132 4.450 3.429 + 17LEU CA 255 3.936 4.473 3.515 + 17LEU HA 256 3.891 4.561 3.559 + 17LEU CB 257 3.874 4.453 3.375 + 17LEU HB1 258 3.775 4.411 3.388 + 17LEU HB2 259 3.934 4.381 3.320 + 17LEU CG 260 3.860 4.582 3.293 + 17LEU HG 261 3.958 4.627 3.279 + 17LEU CD1 262 3.802 4.547 3.156 + 17LEU HD11 263 3.782 4.638 3.099 + 17LEU HD12 264 3.873 4.486 3.101 + 17LEU HD13 265 3.708 4.492 3.168 + 17LEU CD2 266 3.767 4.685 3.358 + 17LEU HD21 267 3.748 4.768 3.290 + 17LEU HD22 268 3.672 4.638 3.383 + 17LEU HD23 269 3.812 4.725 3.448 + 17LEU C 270 3.897 4.358 3.609 + 17LEU O 271 3.782 4.352 3.652 + 18ASP N 272 3.990 4.270 3.646 + 18ASP H 273 4.084 4.282 3.614 + 18ASP CA 274 3.960 4.159 3.739 + 18ASP HA 275 3.874 4.105 3.699 + 18ASP CB 276 4.080 4.062 3.743 + 18ASP HB1 277 4.159 4.104 3.805 + 18ASP HB2 278 4.119 4.052 3.641 + 18ASP CG 279 4.045 3.921 3.792 + 18ASP OD1 280 3.928 3.895 3.829 + 18ASP OD2 281 4.136 3.834 3.785 + 18ASP C 282 3.922 4.214 3.878 + 18ASP O 283 4.001 4.285 3.942 + 19ASN N 284 3.799 4.187 3.923 + 19ASN H 285 3.737 4.139 3.859 + 19ASN CA 286 3.734 4.245 4.041 + 19ASN HA 287 3.632 4.207 4.042 + 19ASN CB 288 3.802 4.192 4.170 + 19ASN HB1 289 3.906 4.221 4.168 + 19ASN HB2 290 3.797 4.084 4.172 + 19ASN CG 291 3.741 4.243 4.300 + 19ASN OD1 292 3.621 4.236 4.323 + 19ASN ND2 293 3.821 4.297 4.388 + 19ASN HD21 294 3.919 4.307 4.367 + 19ASN HD22 295 3.780 4.343 4.468 + 19ASN C 296 3.713 4.399 4.036 + 19ASN O 297 3.682 4.461 4.137 + 20TYR N 298 3.725 4.465 3.920 + 20TYR H 299 3.742 4.414 3.834 + 20TYR CA 300 3.700 4.610 3.914 + 20TYR HA 301 3.760 4.656 3.992 + 20TYR CB 302 3.746 4.671 3.782 + 20TYR HB1 303 3.684 4.634 3.700 + 20TYR HB2 304 3.849 4.640 3.764 + 20TYR CG 305 3.742 4.823 3.785 + 20TYR CD1 306 3.851 4.896 3.835 + 20TYR HD1 307 3.941 4.844 3.866 + 20TYR CE1 308 3.844 5.036 3.848 + 20TYR HE1 309 3.927 5.092 3.888 + 20TYR CZ 310 3.727 5.104 3.809 + 20TYR OH 311 3.718 5.239 3.820 + 20TYR HH 312 3.632 5.270 3.790 + 20TYR CE2 313 3.617 5.031 3.758 + 20TYR HE2 314 3.527 5.083 3.730 + 20TYR CD2 315 3.625 4.891 3.747 + 20TYR HD2 316 3.540 4.834 3.711 + 20TYR C 317 3.552 4.641 3.944 + 20TYR O 318 3.462 4.585 3.882 + 21ARG N 319 3.528 4.727 4.045 + 21ARG H 320 3.609 4.765 4.092 + 21ARG CA 321 3.396 4.752 4.107 + 21ARG HA 322 3.414 4.800 4.203 + 21ARG CB 323 3.312 4.850 4.021 + 21ARG HB1 324 3.210 4.856 4.060 + 21ARG HB2 325 3.305 4.810 3.919 + 21ARG CG 326 3.365 4.994 4.014 + 21ARG HG1 327 3.301 5.049 3.945 + 21ARG HG2 328 3.465 4.994 3.973 + 21ARG CD 329 3.363 5.069 4.148 + 21ARG HD1 330 3.304 5.014 4.221 + 21ARG HD2 331 3.314 5.166 4.134 + 21ARG NE 332 3.499 5.091 4.202 + 21ARG HE 333 3.532 5.028 4.273 + 21ARG CZ 334 3.581 5.192 4.175 + 21ARG NH1 335 3.699 5.197 4.229 + 21ARG HH11 336 3.729 5.120 4.290 + 21ARG HH12 337 3.762 5.273 4.212 + 21ARG NH2 338 3.552 5.288 4.092 + 21ARG HH21 339 3.468 5.282 4.036 + 21ARG HH22 340 3.620 5.358 4.072 + 21ARG C 341 3.319 4.624 4.146 + 21ARG O 342 3.197 4.627 4.154 + 22GLY N 343 3.389 4.514 4.174 + 22GLY H 344 3.490 4.519 4.169 + 22GLY CA 345 3.330 4.387 4.219 + 22GLY HA1 346 3.234 4.406 4.266 + 22GLY HA2 347 3.395 4.343 4.293 + 22GLY C 348 3.307 4.283 4.109 + 22GLY O 349 3.268 4.170 4.139 + 23TYR N 350 3.335 4.316 3.983 + 23TYR H 351 3.368 4.409 3.962 + 23TYR CA 352 3.308 4.227 3.869 + 23TYR HA 353 3.230 4.156 3.896 + 23TYR CB 354 3.254 4.310 3.752 + 23TYR HB1 355 3.247 4.246 3.664 + 23TYR HB2 356 3.325 4.390 3.729 + 23TYR CG 357 3.118 4.370 3.781 + 23TYR CD1 358 3.002 4.296 3.751 + 23TYR HD1 359 3.010 4.199 3.705 + 23TYR CE1 360 2.875 4.348 3.783 + 23TYR HE1 361 2.786 4.292 3.761 + 23TYR CZ 362 2.864 4.473 3.847 + 23TYR OH 363 2.740 4.519 3.878 + 23TYR HH 364 2.740 4.585 3.949 + 23TYR CE2 365 2.980 4.548 3.876 + 23TYR HE2 366 2.972 4.643 3.927 + 23TYR CD2 367 3.107 4.497 3.842 + 23TYR HD2 368 3.196 4.553 3.865 + 23TYR C 369 3.433 4.146 3.831 + 23TYR O 370 3.534 4.203 3.788 + 24SER N 371 3.426 4.013 3.844 + 24SER H 372 3.344 3.973 3.887 + 24SER CA 373 3.537 3.923 3.809 + 24SER HA 374 3.627 3.959 3.860 + 24SER CB 375 3.511 3.781 3.858 + 24SER HB1 376 3.488 3.782 3.965 + 24SER HB2 377 3.600 3.720 3.843 + 24SER OG 378 3.403 3.721 3.787 + 24SER HG 379 3.406 3.624 3.804 + 24SER C 380 3.566 3.925 3.659 + 24SER O 381 3.476 3.953 3.579 + 25LEU N 382 3.689 3.891 3.618 + 25LEU H 383 3.756 3.861 3.688 + 25LEU CA 384 3.734 3.894 3.478 + 25LEU HA 385 3.742 3.998 3.447 + 25LEU CB 386 3.873 3.829 3.473 + 25LEU HB1 387 3.863 3.724 3.499 + 25LEU HB2 388 3.937 3.877 3.547 + 25LEU CG 389 3.945 3.836 3.337 + 25LEU HG 390 3.885 3.786 3.261 + 25LEU CD1 391 3.972 3.980 3.294 + 25LEU HD11 392 4.035 3.979 3.205 + 25LEU HD12 393 3.878 4.030 3.269 + 25LEU HD13 394 4.023 4.035 3.373 + 25LEU CD2 395 4.079 3.763 3.350 + 25LEU HD21 396 4.128 3.760 3.253 + 25LEU HD22 397 4.142 3.816 3.420 + 25LEU HD23 398 4.062 3.661 3.384 + 25LEU C 399 3.638 3.823 3.382 + 25LEU O 400 3.613 3.872 3.272 + 26GLY N 401 3.579 3.711 3.425 + 26GLY H 402 3.605 3.677 3.517 + 26GLY CA 403 3.480 3.636 3.348 + 26GLY HA1 404 3.445 3.553 3.410 + 26GLY HA2 405 3.527 3.595 3.258 + 26GLY C 406 3.357 3.717 3.306 + 26GLY O 407 3.307 3.698 3.195 + 27ASN N 408 3.311 3.813 3.388 + 27ASN H 409 3.362 3.830 3.474 + 27ASN CA 410 3.202 3.904 3.352 + 27ASN HA 411 3.113 3.845 3.328 + 27ASN CB 412 3.169 4.001 3.467 + 27ASN HB1 413 3.101 4.077 3.429 + 27ASN HB2 414 3.259 4.054 3.499 + 27ASN CG 415 3.102 3.938 3.585 + 27ASN OD1 416 2.980 3.924 3.588 + 27ASN ND2 417 3.177 3.900 3.686 + 27ASN HD21 418 3.277 3.907 3.679 + 27ASN HD22 419 3.132 3.859 3.767 + 27ASN C 420 3.238 3.986 3.229 + 27ASN O 421 3.158 3.999 3.137 + 28TRP N 422 3.360 4.040 3.227 + 28TRP H 423 3.421 4.023 3.306 + 28TRP CA 424 3.411 4.128 3.122 + 28TRP HA 425 3.335 4.204 3.100 + 28TRP CB 426 3.535 4.200 3.175 + 28TRP HB1 427 3.568 4.269 3.098 + 28TRP HB2 428 3.615 4.128 3.192 + 28TRP CG 429 3.514 4.280 3.299 + 28TRP CD1 430 3.544 4.244 3.426 + 28TRP HD1 431 3.588 4.150 3.455 + 28TRP NE1 432 3.512 4.346 3.513 + 28TRP HE1 433 3.532 4.341 3.613 + 28TRP CE2 434 3.457 4.454 3.446 + 28TRP CZ2 435 3.409 4.579 3.487 + 28TRP HZ2 436 3.409 4.605 3.592 + 28TRP CH2 437 3.358 4.667 3.390 + 28TRP HH2 438 3.318 4.763 3.419 + 28TRP CZ3 439 3.356 4.630 3.255 + 28TRP HZ3 440 3.314 4.697 3.181 + 28TRP CE3 441 3.406 4.505 3.214 + 28TRP HE3 442 3.403 4.477 3.110 + 28TRP CD2 443 3.457 4.414 3.309 + 28TRP C 444 3.438 4.053 2.991 + 28TRP O 445 3.403 4.103 2.884 + 29VAL N 446 3.492 3.930 2.998 + 29VAL H 447 3.523 3.897 3.089 + 29VAL CA 448 3.503 3.841 2.881 + 29VAL HA 449 3.561 3.893 2.804 + 29VAL CB 450 3.573 3.707 2.913 + 29VAL HB 451 3.510 3.653 2.984 + 29VAL CG1 452 3.591 3.623 2.786 + 29VAL HG11 453 3.649 3.533 2.808 + 29VAL HG12 454 3.494 3.593 2.746 + 29VAL HG13 455 3.645 3.681 2.710 + 29VAL CG2 456 3.712 3.718 2.976 + 29VAL HG21 457 3.737 3.624 3.024 + 29VAL HG22 458 3.786 3.737 2.899 + 29VAL HG23 459 3.716 3.797 3.050 + 29VAL C 460 3.364 3.811 2.824 + 29VAL O 461 3.340 3.829 2.705 + 30CYS N 462 3.270 3.768 2.909 + 30CYS H 463 3.295 3.754 3.006 + 30CYS CA 464 3.134 3.735 2.867 + 30CYS HA 465 3.139 3.655 2.792 + 30CYS CB 466 3.058 3.682 2.989 + 30CYS HB1 467 3.053 3.760 3.065 + 30CYS HB2 468 3.115 3.600 3.031 + 30CYS SG 469 2.891 3.623 2.953 + 30CYS C 470 3.063 3.855 2.802 + 30CYS O 471 3.002 3.842 2.696 + 31ALA N 472 3.077 3.974 2.862 + 31ALA H 473 3.128 3.979 2.949 + 31ALA CA 474 3.020 4.097 2.809 + 31ALA HA 475 2.912 4.084 2.800 + 31ALA CB 476 3.047 4.208 2.911 + 31ALA HB1 477 2.989 4.297 2.885 + 31ALA HB2 478 3.014 4.177 3.010 + 31ALA HB3 479 3.153 4.233 2.914 + 31ALA C 480 3.075 4.130 2.669 + 31ALA O 481 2.997 4.148 2.576 + 32ALA N 482 3.207 4.125 2.649 + 32ALA H 483 3.268 4.109 2.729 + 32ALA CA 484 3.270 4.146 2.518 + 32ALA HA 485 3.237 4.243 2.479 + 32ALA CB 486 3.421 4.151 2.538 + 32ALA HB1 487 3.469 4.167 2.441 + 32ALA HB2 488 3.446 4.234 2.603 + 32ALA HB3 489 3.457 4.058 2.582 + 32ALA C 490 3.230 4.039 2.414 + 32ALA O 491 3.216 4.070 2.295 + 33LYS N 492 3.208 3.913 2.456 + 33LYS H 493 3.225 3.891 2.553 + 33LYS CA 494 3.157 3.809 2.365 + 33LYS HA 495 3.225 3.803 2.281 + 33LYS CB 496 3.153 3.671 2.435 + 33LYS HB1 497 3.089 3.677 2.523 + 33LYS HB2 498 3.253 3.643 2.468 + 33LYS CG 499 3.097 3.560 2.344 + 33LYS HG1 500 2.995 3.585 2.313 + 33LYS HG2 501 3.090 3.469 2.402 + 33LYS CD 502 3.182 3.530 2.219 + 33LYS HD1 503 3.279 3.492 2.250 + 33LYS HD2 504 3.194 3.620 2.159 + 33LYS CE 505 3.110 3.423 2.135 + 33LYS HE1 506 3.013 3.462 2.104 + 33LYS HE2 507 3.091 3.337 2.198 + 33LYS NZ 508 3.187 3.383 2.015 + 33LYS HZ1 509 3.139 3.310 1.965 + 33LYS HZ2 510 3.198 3.462 1.952 + 33LYS HZ3 511 3.280 3.349 2.039 + 33LYS C 512 3.020 3.846 2.311 + 33LYS O 513 3.001 3.843 2.189 + 34PHE N 514 2.925 3.881 2.397 + 34PHE H 515 2.948 3.882 2.496 + 34PHE CA 516 2.786 3.902 2.356 + 34PHE HA 517 2.767 3.839 2.268 + 34PHE CB 518 2.692 3.853 2.466 + 34PHE HB1 519 2.590 3.877 2.438 + 34PHE HB2 520 2.715 3.904 2.559 + 34PHE CG 521 2.697 3.702 2.484 + 34PHE CD1 522 2.653 3.618 2.381 + 34PHE HD1 523 2.615 3.659 2.288 + 34PHE CE1 524 2.661 3.478 2.397 + 34PHE HE1 525 2.626 3.414 2.317 + 34PHE CZ 526 2.711 3.423 2.515 + 34PHE HZ 527 2.716 3.316 2.527 + 34PHE CE2 528 2.756 3.508 2.618 + 34PHE HE2 529 2.796 3.467 2.710 + 34PHE CD2 530 2.749 3.647 2.603 + 34PHE HD2 531 2.784 3.712 2.681 + 34PHE C 532 2.753 4.044 2.308 + 34PHE O 533 2.650 4.062 2.245 + 35GLU N 534 2.840 4.142 2.333 + 35GLU H 535 2.916 4.125 2.398 + 35GLU CA 536 2.827 4.278 2.277 + 35GLU HA 537 2.721 4.298 2.259 + 35GLU CB 538 2.878 4.382 2.378 + 35GLU HB1 539 2.885 4.478 2.328 + 35GLU HB2 540 2.980 4.353 2.408 + 35GLU CG 541 2.796 4.404 2.506 + 35GLU HG1 542 2.851 4.476 2.566 + 35GLU HG2 543 2.792 4.312 2.563 + 35GLU CD 544 2.655 4.461 2.485 + 35GLU OE1 545 2.610 4.477 2.369 + 35GLU OE2 546 2.588 4.491 2.587 + 35GLU C 547 2.896 4.295 2.140 + 35GLU O 548 2.840 4.362 2.053 + 36SER N 549 3.014 4.236 2.115 + 36SER H 550 3.060 4.187 2.190 + 36SER CA 551 3.087 4.253 1.987 + 36SER HA 552 3.021 4.301 1.914 + 36SER CB 553 3.210 4.344 2.001 + 36SER HB1 554 3.179 4.446 2.019 + 36SER HB2 555 3.266 4.345 1.908 + 36SER OG 556 3.293 4.296 2.105 + 36SER HG 557 3.258 4.333 2.188 + 36SER C 558 3.136 4.125 1.920 + 36SER O 559 3.187 4.135 1.808 + 37ASN N 560 3.124 4.008 1.983 + 37ASN H 561 3.077 4.006 2.072 + 37ASN CA 562 3.191 3.885 1.938 + 37ASN HA 563 3.170 3.809 2.013 + 37ASN CB 564 3.127 3.839 1.806 + 37ASN HB1 565 3.169 3.897 1.723 + 37ASN HB2 566 3.020 3.858 1.809 + 37ASN CG 567 3.146 3.692 1.773 + 37ASN OD1 568 3.177 3.610 1.858 + 37ASN ND2 569 3.118 3.656 1.651 + 37ASN HD21 570 3.091 3.727 1.583 + 37ASN HD22 571 3.123 3.558 1.624 + 37ASN C 572 3.344 3.902 1.935 + 37ASN O 573 3.411 3.864 1.839 + 38PHE N 574 3.399 3.964 2.041 + 38PHE H 575 3.336 3.996 2.113 + 38PHE CA 576 3.542 3.996 2.058 + 38PHE HA 577 3.549 4.056 2.149 + 38PHE CB 578 3.623 3.868 2.082 + 38PHE HB1 579 3.726 3.896 2.106 + 38PHE HB2 580 3.627 3.811 1.989 + 38PHE CG 581 3.577 3.776 2.194 + 38PHE CD1 582 3.543 3.828 2.320 + 38PHE HD1 583 3.541 3.934 2.337 + 38PHE CE1 584 3.513 3.741 2.426 + 38PHE HE1 585 3.490 3.781 2.524 + 38PHE CZ 586 3.516 3.602 2.407 + 38PHE HZ 587 3.493 3.535 2.489 + 38PHE CE2 588 3.547 3.549 2.280 + 38PHE HE2 589 3.548 3.442 2.265 + 38PHE CD2 590 3.578 3.636 2.174 + 38PHE HD2 591 3.604 3.596 2.077 + 38PHE C 592 3.603 4.084 1.948 + 38PHE O 593 3.725 4.085 1.928 + 39ASN N 594 3.521 4.159 1.874 + 39ASN H 595 3.423 4.159 1.896 + 39ASN CA 596 3.564 4.236 1.756 + 39ASN HA 597 3.661 4.199 1.724 + 39ASN CB 598 3.464 4.207 1.643 + 39ASN HB1 599 3.369 4.255 1.664 + 39ASN HB2 600 3.446 4.099 1.638 + 39ASN CG 601 3.514 4.254 1.508 + 39ASN OD1 602 3.583 4.353 1.496 + 39ASN ND2 603 3.483 4.182 1.402 + 39ASN HD21 604 3.424 4.101 1.411 + 39ASN HD22 605 3.521 4.211 1.313 + 39ASN C 606 3.580 4.385 1.789 + 39ASN O 607 3.481 4.455 1.813 + 40THR N 608 3.703 4.437 1.786 + 40THR H 609 3.781 4.376 1.763 + 40THR CA 610 3.731 4.578 1.819 + 40THR HA 611 3.680 4.601 1.912 + 40THR CB 612 3.880 4.608 1.840 + 40THR HB 613 3.884 4.709 1.881 + 40THR CG2 614 3.950 4.516 1.940 + 40THR HG21 615 4.053 4.550 1.952 + 40THR HG22 616 3.900 4.522 2.036 + 40THR HG23 617 3.949 4.413 1.904 + 40THR OG1 618 3.955 4.607 1.721 + 40THR HG1 619 4.011 4.685 1.729 + 40THR C 620 3.676 4.678 1.717 + 40THR O 621 3.656 4.794 1.751 + 41GLN N 622 3.647 4.635 1.594 + 41GLN H 623 3.659 4.536 1.573 + 41GLN CA 624 3.596 4.721 1.487 + 41GLN HA 625 3.633 4.823 1.502 + 41GLN CB 626 3.650 4.671 1.352 + 41GLN HB1 627 3.595 4.718 1.270 + 41GLN HB2 628 3.633 4.564 1.345 + 41GLN CG 629 3.800 4.699 1.331 + 41GLN HG1 630 3.840 4.627 1.260 + 41GLN HG2 631 3.855 4.689 1.425 + 41GLN CD 632 3.823 4.839 1.273 + 41GLN OE1 633 3.824 4.857 1.152 + 41GLN NE2 634 3.840 4.941 1.354 + 41GLN HE21 635 3.848 4.929 1.454 + 41GLN HE22 636 3.839 5.034 1.313 + 41GLN C 637 3.443 4.733 1.485 + 41GLN O 638 3.389 4.806 1.402 + 42ALA N 639 3.371 4.662 1.573 + 42ALA H 640 3.419 4.608 1.643 + 42ALA CA 641 3.225 4.656 1.570 + 42ALA HA 642 3.194 4.620 1.472 + 42ALA CB 643 3.181 4.552 1.675 + 42ALA HB1 644 3.076 4.528 1.661 + 42ALA HB2 645 3.240 4.461 1.665 + 42ALA HB3 646 3.196 4.593 1.775 + 42ALA C 647 3.159 4.794 1.592 + 42ALA O 648 3.186 4.862 1.692 + 43THR N 649 3.070 4.835 1.501 + 43THR H 650 3.058 4.779 1.417 + 43THR CA 651 2.975 4.947 1.521 + 43THR HA 652 2.981 4.975 1.625 + 43THR CB 653 3.009 5.072 1.439 + 43THR HB 654 2.930 5.145 1.453 + 43THR CG2 655 3.140 5.135 1.485 + 43THR HG21 656 3.149 5.235 1.442 + 43THR HG22 657 3.137 5.146 1.594 + 43THR HG23 658 3.224 5.073 1.456 + 43THR OG1 659 3.022 5.045 1.300 + 43THR HG1 660 3.071 5.119 1.263 + 43THR C 661 2.830 4.907 1.496 + 43THR O 662 2.800 4.823 1.410 + 44ASN N 663 2.737 4.966 1.572 + 44ASN H 664 2.769 5.028 1.646 + 44ASN CA 665 2.593 4.941 1.563 + 44ASN HA 666 2.569 4.897 1.466 + 44ASN CB 667 2.554 4.841 1.673 + 44ASN HB1 668 2.583 4.880 1.771 + 44ASN HB2 669 2.606 4.747 1.658 + 44ASN CG 670 2.406 4.814 1.675 + 44ASN OD1 671 2.358 4.729 1.601 + 44ASN ND2 672 2.330 4.886 1.753 + 44ASN HD21 673 2.372 4.951 1.820 + 44ASN HD22 674 2.231 4.868 1.754 + 44ASN C 675 2.513 5.071 1.578 + 44ASN O 676 2.530 5.140 1.678 + 45ARG N 677 2.424 5.103 1.484 + 45ARG H 678 2.413 5.041 1.405 + 45ARG CA 679 2.336 5.222 1.491 + 45ARG HA 680 2.391 5.303 1.540 + 45ARG CB 681 2.299 5.265 1.349 + 45ARG HB1 682 2.254 5.180 1.299 + 45ARG HB2 683 2.388 5.294 1.294 + 45ARG CG 684 2.196 5.380 1.343 + 45ARG HG1 685 2.110 5.357 1.406 + 45ARG HG2 686 2.157 5.385 1.242 + 45ARG CD 687 2.254 5.516 1.385 + 45ARG HD1 688 2.326 5.502 1.466 + 45ARG HD2 689 2.174 5.580 1.422 + 45ARG NE 690 2.321 5.578 1.270 + 45ARG HE 691 2.422 5.569 1.267 + 45ARG CZ 692 2.258 5.621 1.162 + 45ARG NH1 693 2.131 5.651 1.162 + 45ARG HH11 694 2.079 5.647 1.248 + 45ARG HH12 695 2.087 5.688 1.079 + 45ARG NH2 696 2.320 5.630 1.048 + 45ARG HH21 697 2.413 5.590 1.040 + 45ARG HH22 698 2.263 5.627 0.964 + 45ARG C 699 2.210 5.195 1.573 + 45ARG O 700 2.136 5.102 1.544 + 46ASN N 701 2.177 5.287 1.664 + 46ASN H 702 2.243 5.362 1.682 + 46ASN CA 703 2.054 5.285 1.744 + 46ASN HA 704 2.014 5.184 1.746 + 46ASN CB 705 2.090 5.323 1.889 + 46ASN HB1 706 2.006 5.305 1.955 + 46ASN HB2 707 2.115 5.429 1.893 + 46ASN CG 708 2.211 5.246 1.940 + 46ASN OD1 709 2.320 5.298 1.948 + 46ASN ND2 710 2.195 5.120 1.972 + 46ASN HD21 711 2.105 5.074 1.962 + 46ASN HD22 712 2.283 5.072 1.997 + 46ASN C 713 1.945 5.378 1.687 + 46ASN O 714 1.972 5.467 1.606 + 47THR N 715 1.820 5.361 1.733 + 47THR H 716 1.802 5.290 1.802 + 47THR CA 717 1.705 5.438 1.681 + 47THR HA 718 1.712 5.435 1.572 + 47THR CB 719 1.568 5.378 1.718 + 47THR HB 720 1.490 5.441 1.675 + 47THR CG2 721 1.552 5.238 1.661 + 47THR HG21 722 1.450 5.202 1.679 + 47THR HG22 723 1.571 5.240 1.554 + 47THR HG23 724 1.623 5.170 1.707 + 47THR OG1 725 1.546 5.370 1.858 + 47THR HG1 726 1.450 5.356 1.868 + 47THR C 727 1.707 5.587 1.716 + 47THR O 728 1.640 5.665 1.649 + 48ASP N 729 1.785 5.629 1.816 + 48ASP H 730 1.840 5.560 1.866 + 48ASP CA 731 1.802 5.769 1.858 + 48ASP HA 732 1.712 5.824 1.828 + 48ASP CB 733 1.806 5.779 2.011 + 48ASP HB1 734 1.720 5.725 2.052 + 48ASP HB2 735 1.795 5.883 2.039 + 48ASP CG 736 1.933 5.726 2.078 + 48ASP OD1 737 2.024 5.676 2.007 + 48ASP OD2 738 1.936 5.726 2.203 + 48ASP C 739 1.918 5.843 1.789 + 48ASP O 740 1.956 5.953 1.828 + 49GLY N 741 1.978 5.783 1.685 + 49GLY H 742 1.946 5.689 1.660 + 49GLY CA 743 2.089 5.840 1.609 + 49GLY HA1 744 2.072 5.947 1.597 + 49GLY HA2 745 2.092 5.795 1.511 + 49GLY C 746 2.227 5.822 1.674 + 49GLY O 747 2.327 5.856 1.611 + 50SER N 748 2.233 5.766 1.796 + 50SER H 749 2.147 5.741 1.843 + 50SER CA 750 2.359 5.720 1.854 + 50SER HA 751 2.434 5.797 1.837 + 50SER CB 752 2.349 5.704 2.007 + 50SER HB1 753 2.312 5.797 2.049 + 50SER HB2 754 2.449 5.686 2.047 + 50SER OG 755 2.263 5.599 2.048 + 50SER HG 756 2.170 5.627 2.030 + 50SER C 757 2.411 5.593 1.786 + 50SER O 758 2.338 5.524 1.714 + 51THR N 759 2.539 5.566 1.807 + 51THR H 760 2.592 5.627 1.867 + 51THR CA 761 2.607 5.444 1.762 + 51THR HA 762 2.532 5.372 1.730 + 51THR CB 763 2.698 5.475 1.641 + 51THR HB 764 2.763 5.558 1.667 + 51THR CG2 765 2.785 5.358 1.593 + 51THR HG21 766 2.843 5.390 1.507 + 51THR HG22 767 2.853 5.328 1.672 + 51THR HG23 768 2.722 5.274 1.565 + 51THR OG1 769 2.620 5.514 1.529 + 51THR HG1 770 2.604 5.610 1.539 + 51THR C 771 2.682 5.384 1.880 + 51THR O 772 2.742 5.456 1.961 + 52ASP N 773 2.680 5.252 1.891 + 52ASP H 774 2.623 5.200 1.824 + 52ASP CA 775 2.759 5.174 1.986 + 52ASP HA 776 2.776 5.233 2.076 + 52ASP CB 777 2.682 5.047 2.027 + 52ASP HB1 778 2.738 5.000 2.107 + 52ASP HB2 779 2.681 4.979 1.942 + 52ASP CG 780 2.538 5.070 2.073 + 52ASP OD1 781 2.519 5.151 2.167 + 52ASP OD2 782 2.447 5.003 2.018 + 52ASP C 783 2.894 5.137 1.923 + 52ASP O 784 2.897 5.085 1.811 + 53TYR N 785 3.005 5.163 1.992 + 53TYR H 786 2.996 5.213 2.080 + 53TYR CA 787 3.141 5.146 1.938 + 53TYR HA 788 3.134 5.114 1.835 + 53TYR CB 789 3.215 5.281 1.937 + 53TYR HB1 790 3.319 5.263 1.911 + 53TYR HB2 791 3.214 5.323 2.038 + 53TYR CG 792 3.159 5.384 1.841 + 53TYR CD1 793 3.216 5.401 1.714 + 53TYR HD1 794 3.301 5.341 1.685 + 53TYR CE1 795 3.165 5.498 1.624 + 53TYR HE1 796 3.209 5.511 1.526 + 53TYR CZ 797 3.056 5.578 1.662 + 53TYR OH 798 3.005 5.671 1.577 + 53TYR HH 799 2.934 5.723 1.618 + 53TYR CE2 800 2.999 5.562 1.790 + 53TYR HE2 801 2.914 5.622 1.819 + 53TYR CD2 802 3.050 5.466 1.879 + 53TYR HD2 803 3.005 5.454 1.977 + 53TYR C 804 3.224 5.040 2.013 + 53TYR O 805 3.234 5.040 2.136 + 54GLY N 806 3.291 4.955 1.936 + 54GLY H 807 3.267 4.951 1.837 + 54GLY CA 808 3.405 4.874 1.978 + 54GLY HA1 809 3.475 4.937 2.032 + 54GLY HA2 810 3.456 4.838 1.889 + 54GLY C 811 3.373 4.752 2.065 + 54GLY O 812 3.258 4.708 2.080 + 55ILE N 813 3.480 4.697 2.124 + 55ILE H 814 3.569 4.743 2.111 + 55ILE CA 815 3.481 4.567 2.194 + 55ILE HA 816 3.432 4.497 2.127 + 55ILE CB 817 3.626 4.517 2.212 + 55ILE HB 818 3.677 4.533 2.117 + 55ILE CG2 819 3.701 4.600 2.318 + 55ILE HG21 820 3.805 4.570 2.323 + 55ILE HG22 821 3.697 4.706 2.294 + 55ILE HG23 822 3.656 4.584 2.416 + 55ILE CG1 823 3.632 4.366 2.242 + 55ILE HG11 824 3.557 4.314 2.182 + 55ILE HG12 825 3.611 4.348 2.347 + 55ILE CD 826 3.768 4.302 2.209 + 55ILE HD1 827 3.764 4.196 2.232 + 55ILE HD2 828 3.790 4.314 2.103 + 55ILE HD3 829 3.847 4.348 2.268 + 55ILE C 830 3.401 4.563 2.325 + 55ILE O 831 3.384 4.455 2.383 + 56LEU N 832 3.349 4.677 2.370 + 56LEU H 833 3.372 4.762 2.320 + 56LEU CA 834 3.249 4.686 2.478 + 56LEU HA 835 3.208 4.587 2.495 + 56LEU CB 836 3.318 4.731 2.609 + 56LEU HB1 837 3.241 4.752 2.684 + 56LEU HB2 838 3.372 4.824 2.590 + 56LEU CG 839 3.415 4.628 2.671 + 56LEU HG 840 3.491 4.601 2.599 + 56LEU CD1 841 3.484 4.691 2.793 + 56LEU HD11 842 3.553 4.618 2.837 + 56LEU HD12 843 3.540 4.779 2.762 + 56LEU HD13 844 3.410 4.718 2.867 + 56LEU CD2 845 3.345 4.502 2.722 + 56LEU HD21 846 3.418 4.433 2.764 + 56LEU HD22 847 3.273 4.527 2.799 + 56LEU HD23 848 3.294 4.451 2.640 + 56LEU C 849 3.125 4.771 2.440 + 56LEU O 850 3.056 4.817 2.530 + 57GLN N 851 3.095 4.793 2.311 + 57GLN H 852 3.160 4.760 2.242 + 57GLN CA 853 2.974 4.864 2.263 + 57GLN HA 854 2.995 4.902 2.163 + 57GLN CB 855 2.853 4.768 2.252 + 57GLN HB1 856 2.762 4.826 2.237 + 57GLN HB2 857 2.842 4.715 2.347 + 57GLN CG 858 2.861 4.666 2.138 + 57GLN HG1 859 2.771 4.604 2.143 + 57GLN HG2 860 2.946 4.602 2.151 + 57GLN CD 861 2.870 4.724 1.998 + 57GLN OE1 862 2.773 4.727 1.924 + 57GLN NE2 863 2.987 4.765 1.953 + 57GLN HE21 864 3.072 4.753 2.006 + 57GLN HE22 865 2.992 4.795 1.856 + 57GLN C 866 2.940 4.990 2.344 + 57GLN O 867 2.837 5.002 2.410 + 58ILE N 868 3.033 5.085 2.342 + 58ILE H 869 3.114 5.072 2.284 + 58ILE CA 870 3.022 5.209 2.418 + 58ILE HA 871 2.964 5.192 2.508 + 58ILE CB 872 3.163 5.252 2.464 + 58ILE HB 873 3.228 5.242 2.378 + 58ILE CG2 874 3.165 5.397 2.514 + 58ILE HG21 875 3.266 5.426 2.541 + 58ILE HG22 876 3.132 5.465 2.435 + 58ILE HG23 877 3.099 5.407 2.600 + 58ILE CG1 878 3.212 5.154 2.574 + 58ILE HG11 879 3.197 5.052 2.541 + 58ILE HG12 880 3.152 5.169 2.664 + 58ILE CD 881 3.360 5.168 2.609 + 58ILE HD1 882 3.387 5.093 2.683 + 58ILE HD2 883 3.421 5.152 2.519 + 58ILE HD3 884 3.381 5.266 2.649 + 58ILE C 885 2.945 5.312 2.334 + 58ILE O 886 2.984 5.343 2.222 + 59ASN N 887 2.833 5.360 2.389 + 59ASN H 888 2.806 5.323 2.478 + 59ASN CA 889 2.735 5.440 2.316 + 59ASN HA 890 2.730 5.403 2.213 + 59ASN CB 891 2.598 5.413 2.380 + 59ASN HB1 892 2.597 5.448 2.483 + 59ASN HB2 893 2.578 5.305 2.380 + 59ASN CG 894 2.487 5.482 2.303 + 59ASN OD1 895 2.452 5.595 2.334 + 59ASN ND2 896 2.435 5.419 2.201 + 59ASN HD21 897 2.464 5.323 2.178 + 59ASN HD22 898 2.373 5.469 2.138 + 59ASN C 899 2.770 5.590 2.310 + 59ASN O 900 2.799 5.653 2.412 + 60SER N 901 2.760 5.650 2.191 + 60SER H 902 2.737 5.593 2.109 + 60SER CA 903 2.799 5.790 2.163 + 60SER HA 904 2.894 5.807 2.214 + 60SER CB 905 2.825 5.809 2.014 + 60SER HB1 906 2.911 5.749 1.987 + 60SER HB2 907 2.849 5.913 1.994 + 60SER OG 908 2.715 5.768 1.935 + 60SER HG 909 2.730 5.808 1.847 + 60SER C 910 2.704 5.899 2.215 + 60SER O 911 2.736 6.018 2.207 + 61ARG N 912 2.589 5.863 2.273 + 61ARG H 913 2.564 5.764 2.274 + 61ARG CA 914 2.503 5.961 2.341 + 61ARG HA 915 2.496 6.050 2.279 + 61ARG CB 916 2.362 5.902 2.358 + 61ARG HB1 917 2.365 5.824 2.434 + 61ARG HB2 918 2.330 5.858 2.264 + 61ARG CG 919 2.263 6.010 2.399 + 61ARG HG1 920 2.255 6.085 2.321 + 61ARG HG2 921 2.295 6.057 2.492 + 61ARG CD 922 2.127 5.945 2.422 + 61ARG HD1 923 2.135 5.871 2.501 + 61ARG HD2 924 2.097 5.895 2.329 + 61ARG NE 925 2.026 6.045 2.461 + 61ARG HE 926 2.059 6.126 2.511 + 61ARG CZ 927 1.897 6.036 2.437 + 61ARG NH1 928 1.845 5.936 2.371 + 61ARG HH11 929 1.905 5.866 2.327 + 61ARG HH12 930 1.747 5.932 2.353 + 61ARG NH2 931 1.817 6.129 2.478 + 61ARG HH21 932 1.855 6.213 2.519 + 61ARG HH22 933 1.720 6.129 2.449 + 61ARG C 934 2.561 6.004 2.475 + 61ARG O 935 2.554 6.121 2.511 + 62TRP N 936 2.619 5.911 2.550 + 62TRP H 937 2.621 5.816 2.515 + 62TRP CA 938 2.664 5.937 2.687 + 62TRP HA 939 2.624 6.032 2.721 + 62TRP CB 940 2.607 5.830 2.781 + 62TRP HB1 941 2.636 5.854 2.883 + 62TRP HB2 942 2.651 5.734 2.755 + 62TRP CG 943 2.458 5.818 2.774 + 62TRP CD1 944 2.390 5.710 2.730 + 62TRP HD1 945 2.435 5.617 2.696 + 62TRP NE1 946 2.255 5.736 2.731 + 62TRP HE1 947 2.186 5.671 2.695 + 62TRP CE2 948 2.228 5.863 2.779 + 62TRP CZ2 949 2.109 5.934 2.799 + 62TRP HZ2 950 2.014 5.889 2.778 + 62TRP CH2 951 2.116 6.065 2.851 + 62TRP HH2 952 2.025 6.121 2.869 + 62TRP CZ3 953 2.241 6.123 2.880 + 62TRP HZ3 954 2.246 6.223 2.920 + 62TRP CE3 955 2.360 6.050 2.858 + 62TRP HE3 956 2.455 6.093 2.883 + 62TRP CD2 957 2.356 5.918 2.808 + 62TRP C 958 2.816 5.947 2.698 + 62TRP O 959 2.867 6.036 2.766 + 63TRP N 960 2.890 5.858 2.631 + 63TRP H 961 2.842 5.791 2.572 + 63TRP CA 962 3.026 5.824 2.675 + 63TRP HA 963 3.042 5.865 2.774 + 63TRP CB 964 3.034 5.672 2.687 + 63TRP HB1 965 3.133 5.645 2.721 + 63TRP HB2 966 3.018 5.629 2.588 + 63TRP CG 967 2.933 5.616 2.782 + 63TRP CD1 968 2.836 5.527 2.750 + 63TRP HD1 969 2.820 5.484 2.652 + 63TRP NE1 970 2.759 5.502 2.862 + 63TRP HE1 971 2.684 5.432 2.862 + 63TRP CE2 972 2.800 5.577 2.970 + 63TRP CZ2 973 2.754 5.589 3.102 + 63TRP HZ2 974 2.666 5.536 3.135 + 63TRP CH2 975 2.824 5.672 3.192 + 63TRP HH2 976 2.789 5.683 3.294 + 63TRP CZ3 977 2.940 5.740 3.149 + 63TRP HZ3 978 2.994 5.802 3.219 + 63TRP CE3 979 2.985 5.727 3.016 + 63TRP HE3 980 3.075 5.778 2.985 + 63TRP CD2 981 2.915 5.647 2.923 + 63TRP C 982 3.137 5.881 2.588 + 63TRP O 983 3.233 5.935 2.642 + 64CYS N 984 3.124 5.872 2.456 + 64CYS H 985 3.039 5.832 2.418 + 64CYS CA 986 3.221 5.924 2.359 + 64CYS HA 987 3.299 5.979 2.412 + 64CYS CB 988 3.289 5.805 2.289 + 64CYS HB1 989 3.331 5.741 2.366 + 64CYS HB2 990 3.371 5.843 2.228 + 64CYS SG 991 3.181 5.703 2.185 + 64CYS C 992 3.153 6.022 2.263 + 64CYS O 993 3.031 6.018 2.246 + 65ASN N 994 3.230 6.109 2.198 + 65ASN H 995 3.330 6.108 2.218 + 65ASN CA 996 3.180 6.199 2.094 + 65ASN HA 997 3.072 6.208 2.103 + 65ASN CB 998 3.241 6.338 2.119 + 65ASN HB1 999 3.349 6.330 2.124 + 65ASN HB2 1000 3.207 6.374 2.216 + 65ASN CG 1001 3.201 6.442 2.017 + 65ASN OD1 1002 3.089 6.445 1.967 + 65ASN ND2 1003 3.289 6.534 1.984 + 65ASN HD21 1004 3.380 6.534 2.027 + 65ASN HD22 1005 3.258 6.613 1.929 + 65ASN C 1006 3.211 6.142 1.955 + 65ASN O 1007 3.327 6.111 1.926 + 66ASP N 1008 3.109 6.129 1.869 + 66ASP H 1009 3.016 6.155 1.901 + 66ASP CA 1010 3.123 6.094 1.727 + 66ASP HA 1011 3.228 6.075 1.708 + 66ASP CB 1012 3.048 5.964 1.692 + 66ASP HB1 1013 3.083 5.885 1.759 + 66ASP HB2 1014 3.077 5.935 1.591 + 66ASP CG 1015 2.895 5.968 1.698 + 66ASP OD1 1016 2.833 6.077 1.705 + 66ASP OD2 1017 2.834 5.858 1.691 + 66ASP C 1018 3.087 6.209 1.631 + 66ASP O 1019 3.094 6.192 1.509 + 67GLY N 1020 3.051 6.326 1.685 + 67GLY H 1021 3.047 6.331 1.786 + 67GLY CA 1022 3.022 6.449 1.611 + 67GLY HA1 1023 3.099 6.464 1.535 + 67GLY HA2 1024 3.024 6.533 1.680 + 67GLY C 1025 2.886 6.449 1.540 + 67GLY O 1026 2.848 6.551 1.482 + 68ARG N 1027 2.812 6.338 1.546 + 68ARG H 1028 2.850 6.259 1.598 + 68ARG CA 1029 2.686 6.318 1.471 + 68ARG HA 1030 2.655 6.415 1.434 + 68ARG CB 1031 2.713 6.228 1.350 + 68ARG HB1 1032 2.789 6.275 1.288 + 68ARG HB2 1033 2.621 6.221 1.292 + 68ARG CG 1034 2.762 6.086 1.385 + 68ARG HG1 1035 2.684 6.031 1.439 + 68ARG HG2 1036 2.849 6.095 1.450 + 68ARG CD 1037 2.807 6.009 1.260 + 68ARG HD1 1038 2.904 5.965 1.282 + 68ARG HD2 1039 2.821 6.078 1.176 + 68ARG NE 1040 2.717 5.900 1.222 + 68ARG HE 1041 2.752 5.806 1.236 + 68ARG CZ 1042 2.598 5.910 1.166 + 68ARG NH1 1043 2.535 6.022 1.146 + 68ARG HH11 1044 2.590 6.108 1.146 + 68ARG HH12 1045 2.448 6.024 1.096 + 68ARG NH2 1046 2.539 5.803 1.125 + 68ARG HH21 1047 2.594 5.719 1.115 + 68ARG HH22 1048 2.451 5.812 1.078 + 68ARG C 1049 2.568 6.270 1.555 + 68ARG O 1050 2.455 6.269 1.505 + 69THR N 1051 2.592 6.236 1.681 + 69THR H 1052 2.689 6.227 1.709 + 69THR CA 1053 2.490 6.198 1.778 + 69THR HA 1054 2.410 6.145 1.727 + 69THR CB 1055 2.549 6.098 1.879 + 69THR HB 1056 2.631 6.144 1.934 + 69THR CG2 1057 2.444 6.048 1.977 + 69THR HG21 1058 2.485 5.965 2.034 + 69THR HG22 1059 2.416 6.127 2.047 + 69THR HG23 1060 2.355 6.014 1.924 + 69THR OG1 1061 2.597 5.989 1.805 + 69THR HG1 1062 2.683 6.016 1.767 + 69THR C 1063 2.435 6.321 1.850 + 69THR O 1064 2.509 6.384 1.926 + 70PRO N 1065 2.306 6.356 1.831 + 70PRO CD 1066 2.211 6.299 1.738 + 70PRO HD1 1067 2.159 6.215 1.785 + 70PRO HD2 1068 2.257 6.266 1.645 + 70PRO CG 1069 2.112 6.411 1.708 + 70PRO HG1 1070 2.014 6.373 1.679 + 70PRO HG2 1071 2.152 6.476 1.630 + 70PRO CB 1072 2.107 6.487 1.840 + 70PRO HB1 1073 2.030 6.444 1.903 + 70PRO HB2 1074 2.088 6.593 1.824 + 70PRO CA 1075 2.244 6.465 1.905 + 70PRO HA 1076 2.304 6.555 1.892 + 70PRO C 1077 2.233 6.433 2.055 + 70PRO O 1078 2.218 6.317 2.095 + 71GLY N 1079 2.240 6.535 2.140 + 71GLY H 1080 2.257 6.628 2.103 + 71GLY CA 1081 2.233 6.520 2.286 + 71GLY HA1 1082 2.148 6.457 2.312 + 71GLY HA2 1083 2.218 6.619 2.328 + 71GLY C 1084 2.359 6.461 2.351 + 71GLY O 1085 2.354 6.424 2.468 + 72SER N 1086 2.471 6.451 2.277 + 72SER H 1087 2.467 6.482 2.181 + 72SER CA 1088 2.595 6.388 2.325 + 72SER HA 1089 2.571 6.285 2.348 + 72SER CB 1090 2.701 6.384 2.214 + 72SER HB1 1091 2.732 6.485 2.190 + 72SER HB2 1092 2.658 6.337 2.125 + 72SER OG 1093 2.813 6.308 2.257 + 72SER HG 1094 2.803 6.216 2.225 + 72SER C 1095 2.652 6.455 2.451 + 72SER O 1096 2.659 6.578 2.459 + 73ARG N 1097 2.695 6.372 2.548 + 73ARG H 1098 2.675 6.274 2.534 + 73ARG CA 1099 2.753 6.414 2.678 + 73ARG HA 1100 2.742 6.522 2.688 + 73ARG CB 1101 2.678 6.344 2.792 + 73ARG HB1 1102 2.732 6.359 2.885 + 73ARG HB2 1103 2.677 6.236 2.773 + 73ARG CG 1104 2.534 6.391 2.814 + 73ARG HG1 1105 2.486 6.326 2.888 + 73ARG HG2 1106 2.477 6.386 2.721 + 73ARG CD 1107 2.533 6.534 2.869 + 73ARG HD1 1108 2.581 6.600 2.796 + 73ARG HD2 1109 2.593 6.538 2.960 + 73ARG NE 1110 2.398 6.585 2.898 + 73ARG HE 1111 2.367 6.582 2.995 + 73ARG CZ 1112 2.325 6.658 2.816 + 73ARG NH1 1113 2.344 6.660 2.688 + 73ARG HH11 1114 2.414 6.602 2.646 + 73ARG HH12 1115 2.278 6.710 2.630 + 73ARG NH2 1116 2.230 6.732 2.863 + 73ARG HH21 1117 2.204 6.720 2.960 + 73ARG HH22 1118 2.199 6.811 2.808 + 73ARG C 1119 2.904 6.391 2.693 + 73ARG O 1120 2.965 6.454 2.778 + 74ASN N 1121 2.964 6.303 2.612 + 74ASN H 1122 2.906 6.258 2.542 + 74ASN CA 1123 3.108 6.269 2.611 + 74ASN HA 1124 3.116 6.172 2.562 + 74ASN CB 1125 3.183 6.371 2.524 + 74ASN HB1 1126 3.192 6.466 2.577 + 74ASN HB2 1127 3.127 6.390 2.432 + 74ASN CG 1128 3.322 6.324 2.484 + 74ASN OD1 1129 3.357 6.208 2.494 + 74ASN ND2 1130 3.406 6.413 2.435 + 74ASN HD21 1131 3.385 6.512 2.439 + 74ASN HD22 1132 3.494 6.381 2.395 + 74ASN C 1133 3.172 6.250 2.751 + 74ASN O 1134 3.277 6.307 2.781 + 75LEU N 1135 3.109 6.171 2.839 + 75LEU H 1136 3.021 6.129 2.811 + 75LEU CA 1137 3.150 6.155 2.980 + 75LEU HA 1138 3.167 6.255 3.022 + 75LEU CB 1139 3.034 6.090 3.057 + 75LEU HB1 1140 3.069 6.059 3.156 + 75LEU HB2 1141 3.003 6.000 3.003 + 75LEU CG 1142 2.912 6.181 3.075 + 75LEU HG 1143 2.889 6.229 2.981 + 75LEU CD1 1144 2.791 6.100 3.119 + 75LEU HD11 1145 2.705 6.166 3.127 + 75LEU HD12 1146 2.769 6.024 3.043 + 75LEU HD13 1147 2.810 6.051 3.214 + 75LEU CD2 1148 2.936 6.290 3.181 + 75LEU HD21 1149 2.847 6.352 3.189 + 75LEU HD22 1150 2.958 6.244 3.277 + 75LEU HD23 1151 3.020 6.354 3.152 + 75LEU C 1152 3.281 6.078 3.001 + 75LEU O 1153 3.341 6.087 3.108 + 76CYS N 1154 3.331 6.006 2.900 + 76CYS H 1155 3.278 5.999 2.814 + 76CYS CA 1156 3.467 5.951 2.901 + 76CYS HA 1157 3.496 5.934 3.004 + 76CYS CB 1158 3.468 5.814 2.831 + 76CYS HB1 1159 3.571 5.781 2.821 + 76CYS HB2 1160 3.426 5.824 2.732 + 76CYS SG 1161 3.377 5.684 2.918 + 76CYS C 1162 3.572 6.048 2.843 + 76CYS O 1163 3.692 6.021 2.858 + 77ASN N 1164 3.529 6.160 2.783 + 77ASN H 1165 3.429 6.175 2.781 + 77ASN CA 1166 3.608 6.266 2.718 + 77ASN HA 1167 3.534 6.331 2.669 + 77ASN CB 1168 3.677 6.352 2.824 + 77ASN HB1 1169 3.767 6.301 2.857 + 77ASN HB2 1170 3.611 6.366 2.910 + 77ASN CG 1171 3.715 6.489 2.772 + 77ASN OD1 1172 3.633 6.579 2.759 + 77ASN ND2 1173 3.840 6.508 2.738 + 77ASN HD21 1174 3.904 6.431 2.739 + 77ASN HD22 1175 3.864 6.597 2.696 + 77ASN C 1176 3.698 6.216 2.603 + 77ASN O 1177 3.818 6.244 2.599 + 78ILE N 1178 3.640 6.138 2.512 + 78ILE H 1179 3.539 6.129 2.514 + 78ILE CA 1180 3.711 6.065 2.406 + 78ILE HA 1181 3.808 6.112 2.391 + 78ILE CB 1182 3.736 5.917 2.446 + 78ILE HB 1183 3.772 5.864 2.358 + 78ILE CG2 1184 3.846 5.910 2.552 + 78ILE HG21 1185 3.872 5.806 2.573 + 78ILE HG22 1186 3.935 5.961 2.516 + 78ILE HG23 1187 3.814 5.958 2.644 + 78ILE CG1 1188 3.606 5.849 2.495 + 78ILE HG11 1189 3.528 5.862 2.420 + 78ILE HG12 1190 3.573 5.896 2.587 + 78ILE CD 1191 3.621 5.698 2.518 + 78ILE HD1 1192 3.523 5.656 2.541 + 78ILE HD2 1193 3.660 5.652 2.428 + 78ILE HD3 1194 3.687 5.679 2.602 + 78ILE C 1195 3.636 6.069 2.271 + 78ILE O 1196 3.513 6.063 2.269 + 79PRO N 1197 3.708 6.074 2.158 + 79PRO CD 1198 3.852 6.090 2.144 + 79PRO HD1 1199 3.907 6.020 2.207 + 79PRO HD2 1200 3.880 6.192 2.170 + 79PRO CG 1201 3.885 6.064 1.997 + 79PRO HG1 1202 3.913 5.959 1.983 + 79PRO HG2 1203 3.964 6.130 1.961 + 79PRO CB 1204 3.752 6.091 1.926 + 79PRO HB1 1205 3.743 6.036 1.832 + 79PRO HB2 1206 3.744 6.198 1.907 + 79PRO CA 1207 3.647 6.048 2.028 + 79PRO HA 1208 3.557 6.109 2.016 + 79PRO C 1209 3.609 5.900 2.017 + 79PRO O 1210 3.690 5.813 2.050 + 80CYS N 1211 3.490 5.869 1.966 + 80CYS H 1212 3.425 5.944 1.944 + 80CYS CA 1213 3.445 5.729 1.953 + 80CYS HA 1214 3.448 5.683 2.052 + 80CYS CB 1215 3.301 5.726 1.903 + 80CYS HB1 1216 3.272 5.621 1.891 + 80CYS HB2 1217 3.296 5.772 1.804 + 80CYS SG 1218 3.177 5.805 2.009 + 80CYS C 1219 3.536 5.645 1.861 + 80CYS O 1220 3.548 5.524 1.880 + 81SER N 1221 3.608 5.709 1.768 + 81SER H 1222 3.596 5.809 1.759 + 81SER CA 1223 3.709 5.646 1.683 + 81SER HA 1224 3.661 5.570 1.621 + 81SER CB 1225 3.770 5.752 1.591 + 81SER HB1 1226 3.691 5.796 1.531 + 81SER HB2 1227 3.844 5.707 1.526 + 81SER OG 1228 3.831 5.853 1.671 + 81SER HG 1229 3.844 5.934 1.615 + 81SER C 1230 3.822 5.577 1.762 + 81SER O 1231 3.873 5.475 1.717 + 82ALA N 1232 3.858 5.627 1.881 + 82ALA H 1233 3.809 5.709 1.915 + 82ALA CA 1234 3.960 5.567 1.967 + 82ALA HA 1235 4.051 5.551 1.909 + 82ALA CB 1236 3.992 5.665 2.080 + 82ALA HB1 1237 4.069 5.622 2.145 + 82ALA HB2 1238 4.029 5.759 2.039 + 82ALA HB3 1239 3.903 5.684 2.140 + 82ALA C 1240 3.917 5.430 2.022 + 82ALA O 1241 3.999 5.341 2.041 + 83LEU N 1242 3.786 5.409 2.040 + 83LEU H 1243 3.722 5.484 2.015 + 83LEU CA 1244 3.729 5.284 2.090 + 83LEU HA 1245 3.788 5.250 2.175 + 83LEU CB 1246 3.585 5.311 2.136 + 83LEU HB1 1247 3.542 5.217 2.172 + 83LEU HB2 1248 3.526 5.344 2.051 + 83LEU CG 1249 3.576 5.416 2.249 + 83LEU HG 1250 3.628 5.508 2.220 + 83LEU CD1 1251 3.431 5.452 2.273 + 83LEU HD11 1252 3.422 5.524 2.354 + 83LEU HD12 1253 3.387 5.493 2.182 + 83LEU HD13 1254 3.377 5.362 2.299 + 83LEU CD2 1255 3.636 5.362 2.378 + 83LEU HD21 1256 3.613 5.427 2.462 + 83LEU HD22 1257 3.595 5.263 2.398 + 83LEU HD23 1258 3.744 5.354 2.368 + 83LEU C 1259 3.735 5.171 1.985 + 83LEU O 1260 3.732 5.054 2.022 + 84LEU N 1261 3.751 5.206 1.857 + 84LEU H 1262 3.754 5.305 1.836 + 84LEU CA 1263 3.768 5.113 1.746 + 84LEU HA 1264 3.712 5.023 1.769 + 84LEU CB 1265 3.710 5.174 1.617 + 84LEU HB1 1266 3.723 5.103 1.536 + 84LEU HB2 1267 3.766 5.264 1.593 + 84LEU CG 1268 3.560 5.210 1.623 + 84LEU HG 1269 3.543 5.282 1.703 + 84LEU CD1 1270 3.518 5.274 1.491 + 84LEU HD11 1271 3.413 5.299 1.493 + 84LEU HD12 1272 3.576 5.365 1.475 + 84LEU HD13 1273 3.537 5.205 1.409 + 84LEU CD2 1274 3.472 5.087 1.647 + 84LEU HD21 1275 3.368 5.116 1.651 + 84LEU HD22 1276 3.487 5.015 1.567 + 84LEU HD23 1277 3.498 5.040 1.742 + 84LEU C 1278 3.914 5.065 1.726 + 84LEU O 1279 3.943 4.996 1.628 + 85SER N 1280 4.005 5.104 1.816 + 85SER H 1281 3.975 5.162 1.892 + 85SER CA 1282 4.145 5.060 1.814 + 85SER HA 1283 4.188 5.088 1.719 + 85SER CB 1284 4.226 5.135 1.920 + 85SER HB1 1285 4.190 5.110 2.020 + 85SER HB2 1286 4.215 5.242 1.905 + 85SER OG 1287 4.363 5.100 1.907 + 85SER HG 1288 4.414 5.168 1.958 + 85SER C 1289 4.161 4.909 1.831 + 85SER O 1290 4.080 4.844 1.897 + 86SER N 1291 4.267 4.850 1.775 + 86SER H 1292 4.330 4.908 1.721 + 86SER CA 1293 4.310 4.714 1.811 + 86SER HA 1294 4.224 4.647 1.807 + 86SER CB 1295 4.413 4.663 1.711 + 86SER HB1 1296 4.460 4.572 1.750 + 86SER HB2 1297 4.490 4.739 1.697 + 86SER OG 1298 4.350 4.633 1.588 + 86SER HG 1299 4.411 4.658 1.516 + 86SER C 1300 4.364 4.706 1.955 + 86SER O 1301 4.360 4.598 2.015 + 87ASP N 1302 4.409 4.818 2.011 + 87ASP H 1303 4.402 4.904 1.958 + 87ASP CA 1304 4.443 4.833 2.153 + 87ASP HA 1305 4.488 4.741 2.188 + 87ASP CB 1306 4.548 4.946 2.167 + 87ASP HB1 1307 4.503 5.042 2.143 + 87ASP HB2 1308 4.629 4.927 2.096 + 87ASP CG 1309 4.609 4.955 2.307 + 87ASP OD1 1310 4.538 4.930 2.407 + 87ASP OD2 1311 4.731 4.982 2.320 + 87ASP C 1312 4.315 4.861 2.235 + 87ASP O 1313 4.241 4.956 2.209 + 88ILE N 1314 4.288 4.779 2.337 + 88ILE H 1315 4.354 4.705 2.359 + 88ILE CA 1316 4.167 4.792 2.419 + 88ILE HA 1317 4.087 4.825 2.353 + 88ILE CB 1318 4.120 4.656 2.476 + 88ILE HB 1319 4.024 4.675 2.524 + 88ILE CG2 1320 4.095 4.556 2.362 + 88ILE HG21 1321 4.043 4.468 2.399 + 88ILE HG22 1322 4.034 4.603 2.285 + 88ILE HG23 1323 4.189 4.526 2.317 + 88ILE CG1 1324 4.215 4.598 2.583 + 88ILE HG11 1325 4.248 4.677 2.651 + 88ILE HG12 1326 4.303 4.556 2.534 + 88ILE CD 1327 4.151 4.488 2.668 + 88ILE HD1 1328 4.221 4.458 2.747 + 88ILE HD2 1329 4.060 4.524 2.715 + 88ILE HD3 1330 4.129 4.401 2.607 + 88ILE C 1331 4.176 4.900 2.528 + 88ILE O 1332 4.079 4.920 2.601 + 89THR N 1333 4.289 4.971 2.543 + 89THR H 1334 4.366 4.952 2.479 + 89THR CA 1335 4.314 5.064 2.655 + 89THR HA 1336 4.312 5.006 2.747 + 89THR CB 1337 4.452 5.130 2.645 + 89THR HB 1338 4.459 5.189 2.553 + 89THR CG2 1339 4.484 5.219 2.765 + 89THR HG21 1340 4.586 5.257 2.755 + 89THR HG22 1341 4.416 5.304 2.767 + 89THR HG23 1342 4.475 5.162 2.857 + 89THR OG1 1343 4.552 5.032 2.644 + 89THR HG1 1344 4.557 4.997 2.552 + 89THR C 1345 4.206 5.171 2.667 + 89THR O 1346 4.154 5.192 2.777 + 90ALA N 1347 4.166 5.234 2.556 + 90ALA H 1348 4.210 5.210 2.468 + 90ALA CA 1349 4.061 5.336 2.553 + 90ALA HA 1350 4.087 5.416 2.622 + 90ALA CB 1351 4.054 5.394 2.411 + 90ALA HB1 1352 3.979 5.473 2.407 + 90ALA HB2 1353 4.151 5.436 2.384 + 90ALA HB3 1354 4.027 5.316 2.339 + 90ALA C 1355 3.924 5.279 2.597 + 90ALA O 1356 3.858 5.337 2.684 + 91SER N 1357 3.886 5.162 2.544 + 91SER H 1358 3.945 5.121 2.473 + 91SER CA 1359 3.763 5.092 2.582 + 91SER HA 1360 3.678 5.158 2.567 + 91SER CB 1361 3.742 4.967 2.497 + 91SER HB1 1362 3.654 4.913 2.533 + 91SER HB2 1363 3.828 4.901 2.503 + 91SER OG 1364 3.719 5.003 2.362 + 91SER HG 1365 3.806 5.014 2.318 + 91SER C 1366 3.762 5.054 2.730 + 91SER O 1367 3.661 5.077 2.798 + 92VAL N 1368 3.873 5.004 2.785 + 92VAL H 1369 3.953 4.988 2.725 + 92VAL CA 1370 3.884 4.972 2.928 + 92VAL HA 1371 3.797 4.912 2.956 + 92VAL CB 1372 4.009 4.888 2.959 + 92VAL HB 1373 4.098 4.940 2.925 + 92VAL CG1 1374 4.021 4.862 3.110 + 92VAL HG11 1375 4.090 4.781 3.131 + 92VAL HG12 1376 4.056 4.952 3.161 + 92VAL HG13 1377 3.924 4.835 3.150 + 92VAL CG2 1378 4.004 4.751 2.889 + 92VAL HG21 1379 4.094 4.694 2.912 + 92VAL HG22 1380 3.916 4.695 2.922 + 92VAL HG23 1381 3.999 4.765 2.781 + 92VAL C 1382 3.879 5.097 3.015 + 92VAL O 1383 3.807 5.099 3.115 + 93ASN N 1384 3.951 5.204 2.979 + 93ASN H 1385 4.008 5.198 2.895 + 93ASN CA 1386 3.949 5.330 3.053 + 93ASN HA 1387 3.977 5.311 3.157 + 93ASN CB 1388 4.048 5.431 2.991 + 93ASN HB1 1389 4.023 5.530 3.028 + 93ASN HB2 1390 4.036 5.432 2.882 + 93ASN CG 1391 4.195 5.409 3.022 + 93ASN OD1 1392 4.283 5.451 2.949 + 93ASN ND2 1393 4.230 5.352 3.135 + 93ASN HD21 1394 4.160 5.339 3.208 + 93ASN HD22 1395 4.327 5.364 3.162 + 93ASN C 1396 3.808 5.390 3.060 + 93ASN O 1397 3.765 5.435 3.166 + 94CYS N 1398 3.732 5.386 2.950 + 94CYS H 1399 3.772 5.350 2.863 + 94CYS CA 1400 3.593 5.431 2.950 + 94CYS HA 1401 3.590 5.526 3.003 + 94CYS CB 1402 3.550 5.456 2.806 + 94CYS HB1 1403 3.555 5.363 2.750 + 94CYS HB2 1404 3.620 5.525 2.760 + 94CYS SG 1405 3.383 5.526 2.789 + 94CYS C 1406 3.500 5.335 3.026 + 94CYS O 1407 3.424 5.379 3.112 + 95ALA N 1408 3.512 5.203 3.007 + 95ALA H 1409 3.576 5.169 2.936 + 95ALA CA 1410 3.433 5.103 3.080 + 95ALA HA 1411 3.328 5.120 3.057 + 95ALA CB 1412 3.472 4.964 3.031 + 95ALA HB1 1413 3.412 4.889 3.082 + 95ALA HB2 1414 3.453 4.957 2.924 + 95ALA HB3 1415 3.577 4.945 3.051 + 95ALA C 1416 3.448 5.115 3.233 + 95ALA O 1417 3.349 5.106 3.306 + 96LYS N 1418 3.569 5.145 3.283 + 96LYS H 1419 3.648 5.146 3.218 + 96LYS CA 1420 3.596 5.174 3.425 + 96LYS HA 1421 3.562 5.089 3.485 + 96LYS CB 1422 3.747 5.194 3.448 + 96LYS HB1 1423 3.762 5.243 3.544 + 96LYS HB2 1424 3.787 5.259 3.370 + 96LYS CG 1425 3.824 5.061 3.450 + 96LYS HG1 1426 3.814 5.010 3.355 + 96LYS HG2 1427 3.783 4.997 3.528 + 96LYS CD 1428 3.972 5.088 3.479 + 96LYS HD1 1429 3.981 5.142 3.574 + 96LYS HD2 1430 4.014 5.149 3.399 + 96LYS CE 1431 4.051 4.957 3.489 + 96LYS HE1 1432 4.045 4.904 3.394 + 96LYS HE2 1433 4.007 4.894 3.567 + 96LYS NZ 1434 4.193 4.984 3.523 + 96LYS HZ1 1435 4.248 4.898 3.520 + 96LYS HZ2 1436 4.237 5.046 3.456 + 96LYS HZ3 1437 4.203 5.022 3.616 + 96LYS C 1438 3.519 5.296 3.478 + 96LYS O 1439 3.486 5.299 3.597 + 97LYS N 1440 3.488 5.395 3.392 + 97LYS H 1441 3.515 5.383 3.295 + 97LYS CA 1442 3.403 5.510 3.427 + 97LYS HA 1443 3.426 5.543 3.528 + 97LYS CB 1444 3.428 5.629 3.332 + 97LYS HB1 1445 3.362 5.711 3.360 + 97LYS HB2 1446 3.406 5.602 3.229 + 97LYS CG 1447 3.574 5.679 3.342 + 97LYS HG1 1448 3.640 5.598 3.312 + 97LYS HG2 1449 3.595 5.705 3.445 + 97LYS CD 1450 3.601 5.800 3.252 + 97LYS HD1 1451 3.537 5.883 3.283 + 97LYS HD2 1452 3.581 5.774 3.148 + 97LYS CE 1453 3.749 5.839 3.269 + 97LYS HE1 1454 3.811 5.760 3.226 + 97LYS HE2 1455 3.771 5.846 3.375 + 97LYS NZ 1456 3.780 5.969 3.205 + 97LYS HZ1 1457 3.879 5.990 3.208 + 97LYS HZ2 1458 3.753 5.974 3.107 + 97LYS HZ3 1459 3.735 6.047 3.252 + 97LYS C 1460 3.255 5.471 3.428 + 97LYS O 1461 3.189 5.497 3.528 + 98ILE N 1462 3.208 5.401 3.324 + 98ILE H 1463 3.272 5.386 3.247 + 98ILE CA 1464 3.069 5.354 3.308 + 98ILE HA 1465 3.003 5.441 3.305 + 98ILE CB 1466 3.054 5.276 3.175 + 98ILE HB 1467 3.125 5.193 3.175 + 98ILE CG2 1468 2.912 5.218 3.161 + 98ILE HG21 1469 2.904 5.160 3.069 + 98ILE HG22 1470 2.889 5.150 3.243 + 98ILE HG23 1471 2.839 5.299 3.159 + 98ILE CG1 1472 3.086 5.368 3.055 + 98ILE HG11 1473 3.183 5.415 3.068 + 98ILE HG12 1474 3.013 5.447 3.054 + 98ILE CD 1475 3.087 5.299 2.918 + 98ILE HD1 1476 3.122 5.370 2.843 + 98ILE HD2 1477 3.155 5.214 2.920 + 98ILE HD3 1478 2.987 5.266 2.890 + 98ILE C 1479 3.025 5.269 3.428 + 98ILE O 1480 2.926 5.299 3.494 + 99VAL N 1481 3.104 5.167 3.464 + 99VAL H 1482 3.185 5.147 3.406 + 99VAL CA 1483 3.073 5.075 3.575 + 99VAL HA 1484 2.970 5.041 3.563 + 99VAL CB 1485 3.165 4.952 3.565 + 99VAL HB 1486 3.169 4.924 3.460 + 99VAL CG1 1487 3.307 4.983 3.611 + 99VAL HG11 1488 3.374 4.903 3.580 + 99VAL HG12 1489 3.341 5.076 3.565 + 99VAL HG13 1490 3.310 4.993 3.719 + 99VAL CG2 1491 3.115 4.829 3.641 + 99VAL HG21 1492 3.185 4.746 3.629 + 99VAL HG22 1493 3.104 4.850 3.748 + 99VAL HG23 1494 3.019 4.798 3.601 + 99VAL C 1495 3.082 5.142 3.713 + 99VAL O 1496 3.037 5.086 3.813 + 100SER N 1497 3.139 5.263 3.721 + 100SER H 1498 3.165 5.308 3.635 + 100SER CA 1499 3.150 5.342 3.845 + 100SER HA 1500 3.138 5.275 3.930 + 100SER CB 1501 3.289 5.406 3.856 + 100SER HB1 1502 3.297 5.457 3.952 + 100SER HB2 1503 3.302 5.479 3.777 + 100SER OG 1504 3.393 5.309 3.848 + 100SER HG 1505 3.410 5.298 3.753 + 100SER C 1506 3.041 5.449 3.857 + 100SER O 1507 3.050 5.532 3.948 + 101ASP N 1508 2.942 5.452 3.767 + 101ASP H 1509 2.944 5.384 3.691 + 101ASP CA 1510 2.842 5.559 3.756 + 101ASP HA 1511 2.886 5.651 3.794 + 101ASP CB 1512 2.814 5.580 3.606 + 101ASP HB1 1513 2.755 5.496 3.568 + 101ASP HB2 1514 2.908 5.582 3.552 + 101ASP CG 1515 2.742 5.712 3.577 + 101ASP OD1 1516 2.797 5.817 3.617 + 101ASP OD2 1517 2.637 5.707 3.509 + 101ASP C 1518 2.713 5.534 3.837 + 101ASP O 1519 2.643 5.630 3.872 + 102GLY N 1520 2.684 5.409 3.874 + 102GLY H 1521 2.745 5.336 3.841 + 102GLY CA 1522 2.579 5.374 3.971 + 102GLY HA1 1523 2.496 5.445 3.960 + 102GLY HA2 1524 2.618 5.385 4.071 + 102GLY C 1525 2.519 5.233 3.957 + 102GLY O 1526 2.496 5.168 4.059 + 103ASN N 1527 2.499 5.184 3.834 + 103ASN H 1528 2.520 5.245 3.755 + 103ASN CA 1529 2.428 5.058 3.804 + 103ASN HA 1530 2.378 5.027 3.896 + 103ASN CB 1531 2.319 5.089 3.700 + 103ASN HB1 1532 2.363 5.089 3.600 + 103ASN HB2 1533 2.280 5.189 3.718 + 103ASN CG 1534 2.200 4.995 3.702 + 103ASN OD1 1535 2.194 4.893 3.769 + 103ASN ND2 1536 2.099 5.026 3.626 + 103ASN HD21 1537 2.107 5.106 3.564 + 103ASN HD22 1538 2.017 4.966 3.627 + 103ASN C 1539 2.522 4.942 3.765 + 103ASN O 1540 2.479 4.840 3.710 + 104GLY N 1541 2.653 4.955 3.790 + 104GLY H 1542 2.683 5.036 3.843 + 104GLY CA 1543 2.753 4.852 3.763 + 104GLY HA1 1544 2.732 4.767 3.828 + 104GLY HA2 1545 2.852 4.890 3.789 + 104GLY C 1546 2.755 4.806 3.617 + 104GLY O 1547 2.746 4.887 3.525 + 105MET N 1548 2.764 4.675 3.594 + 105MET H 1549 2.769 4.610 3.672 + 105MET CA 1550 2.764 4.621 3.457 + 105MET HA 1551 2.821 4.690 3.395 + 105MET CB 1552 2.836 4.485 3.449 + 105MET HB1 1553 2.819 4.443 3.350 + 105MET HB2 1554 2.797 4.417 3.523 + 105MET CG 1555 2.988 4.502 3.467 + 105MET HG1 1556 3.008 4.527 3.571 + 105MET HG2 1557 3.023 4.585 3.406 + 105MET SD 1558 3.086 4.356 3.423 + 105MET CE 1559 3.075 4.362 3.242 + 105MET HE1 1560 3.135 4.281 3.200 + 105MET HE2 1561 2.971 4.349 3.210 + 105MET HE3 1562 3.112 4.458 3.206 + 105MET C 1563 2.625 4.616 3.392 + 105MET O 1564 2.615 4.581 3.274 + 106ASN N 1565 2.518 4.658 3.461 + 106ASN H 1566 2.531 4.694 3.555 + 106ASN CA 1567 2.385 4.666 3.400 + 106ASN HA 1568 2.367 4.571 3.351 + 106ASN CB 1569 2.275 4.686 3.506 + 106ASN HB1 1570 2.178 4.690 3.457 + 106ASN HB2 1571 2.290 4.782 3.554 + 106ASN CG 1572 2.269 4.576 3.611 + 106ASN OD1 1573 2.209 4.471 3.591 + 106ASN ND2 1574 2.332 4.597 3.724 + 106ASN HD21 1575 2.378 4.686 3.738 + 106ASN HD22 1576 2.341 4.522 3.792 + 106ASN C 1577 2.377 4.772 3.287 + 106ASN O 1578 2.280 4.770 3.211 + 107ALA N 1579 2.479 4.857 3.270 + 107ALA H 1580 2.552 4.859 3.340 + 107ALA CA 1581 2.495 4.944 3.153 + 107ALA HA 1582 2.410 5.012 3.147 + 107ALA CB 1583 2.622 5.027 3.174 + 107ALA HB1 1584 2.635 5.095 3.090 + 107ALA HB2 1585 2.614 5.085 3.266 + 107ALA HB3 1586 2.709 4.962 3.181 + 107ALA C 1587 2.503 4.867 3.019 + 107ALA O 1588 2.463 4.920 2.915 + 108TRP N 1589 2.550 4.742 3.021 + 108TRP H 1590 2.579 4.702 3.110 + 108TRP CA 1591 2.563 4.656 2.902 + 108TRP HA 1592 2.561 4.717 2.812 + 108TRP CB 1593 2.700 4.587 2.907 + 108TRP HB1 1594 2.704 4.511 2.829 + 108TRP HB2 1595 2.712 4.537 3.003 + 108TRP CG 1596 2.814 4.681 2.886 + 108TRP CD1 1597 2.851 4.732 2.768 + 108TRP HD1 1598 2.803 4.712 2.672 + 108TRP NE1 1599 2.963 4.811 2.785 + 108TRP HE1 1600 3.014 4.849 2.705 + 108TRP CE2 1601 2.998 4.823 2.917 + 108TRP CZ2 1602 3.098 4.895 2.984 + 108TRP HZ2 1603 3.166 4.958 2.929 + 108TRP CH2 1604 3.105 4.887 3.125 + 108TRP HH2 1605 3.179 4.943 3.179 + 108TRP CZ3 1606 3.014 4.805 3.195 + 108TRP HZ3 1607 3.020 4.800 3.303 + 108TRP CE3 1608 2.916 4.731 3.126 + 108TRP HE3 1609 2.847 4.668 3.179 + 108TRP CD2 1610 2.905 4.739 2.985 + 108TRP C 1611 2.449 4.555 2.894 + 108TRP O 1612 2.445 4.457 2.968 + 109VAL N 1613 2.353 4.577 2.802 + 109VAL H 1614 2.360 4.660 2.743 + 109VAL CA 1615 2.235 4.491 2.790 + 109VAL HA 1616 2.186 4.490 2.887 + 109VAL CB 1617 2.133 4.547 2.689 + 109VAL HB 1618 2.112 4.650 2.716 + 109VAL CG1 1619 2.183 4.544 2.544 + 109VAL HG11 1620 2.109 4.592 2.480 + 109VAL HG12 1621 2.278 4.597 2.535 + 109VAL HG13 1622 2.198 4.442 2.510 + 109VAL CG2 1623 2.001 4.469 2.694 + 109VAL HG21 1624 1.925 4.522 2.636 + 109VAL HG22 1625 2.014 4.369 2.653 + 109VAL HG23 1626 1.967 4.460 2.797 + 109VAL C 1627 2.270 4.345 2.758 + 109VAL O 1628 2.203 4.255 2.809 + 110ALA N 1629 2.376 4.317 2.682 + 110ALA H 1630 2.434 4.393 2.645 + 110ALA CA 1631 2.413 4.179 2.654 + 110ALA HA 1632 2.322 4.125 2.629 + 110ALA CB 1633 2.504 4.173 2.532 + 110ALA HB1 1634 2.507 4.071 2.494 + 110ALA HB2 1635 2.467 4.239 2.453 + 110ALA HB3 1636 2.605 4.202 2.559 + 110ALA C 1637 2.475 4.110 2.777 + 110ALA O 1638 2.452 3.990 2.796 + 111TRP N 1639 2.543 4.184 2.866 + 111TRP H 1640 2.554 4.283 2.848 + 111TRP CA 1641 2.583 4.132 2.997 + 111TRP HA 1642 2.633 4.036 2.980 + 111TRP CB 1643 2.683 4.223 3.069 + 111TRP HB1 1644 2.640 4.322 3.081 + 111TRP HB2 1645 2.773 4.233 3.008 + 111TRP CG 1646 2.722 4.174 3.206 + 111TRP CD1 1647 2.825 4.092 3.236 + 111TRP HD1 1648 2.897 4.053 3.165 + 111TRP NE1 1649 2.822 4.060 3.371 + 111TRP HE1 1650 2.888 4.000 3.419 + 111TRP CE2 1651 2.718 4.123 3.435 + 111TRP CZ2 1652 2.676 4.124 3.569 + 111TRP HZ2 1653 2.730 4.066 3.642 + 111TRP CH2 1654 2.566 4.204 3.605 + 111TRP HH2 1655 2.534 4.208 3.708 + 111TRP CZ3 1656 2.500 4.280 3.507 + 111TRP HZ3 1657 2.417 4.343 3.536 + 111TRP CE3 1658 2.543 4.277 3.373 + 111TRP HE3 1659 2.493 4.338 3.299 + 111TRP CD2 1660 2.653 4.199 3.333 + 111TRP C 1661 2.461 4.103 3.084 + 111TRP O 1662 2.450 3.993 3.138 + 112ARG N 1663 2.364 4.197 3.091 + 112ARG H 1664 2.380 4.286 3.045 + 112ARG CA 1665 2.237 4.174 3.164 + 112ARG HA 1666 2.260 4.158 3.270 + 112ARG CB 1667 2.138 4.291 3.150 + 112ARG HB1 1668 2.048 4.262 3.204 + 112ARG HB2 1669 2.112 4.304 3.045 + 112ARG CG 1670 2.185 4.425 3.206 + 112ARG HG1 1671 2.260 4.469 3.140 + 112ARG HG2 1672 2.230 4.408 3.304 + 112ARG CD 1673 2.069 4.524 3.223 + 112ARG HD1 1674 2.106 4.618 3.263 + 112ARG HD2 1675 2.001 4.483 3.299 + 112ARG NE 1676 1.991 4.549 3.101 + 112ARG HE 1677 1.916 4.483 3.082 + 112ARG CZ 1678 1.995 4.654 3.019 + 112ARG NH1 1679 2.091 4.741 3.015 + 112ARG HH11 1680 2.169 4.736 3.079 + 112ARG HH12 1681 2.080 4.822 2.955 + 112ARG NH2 1682 1.896 4.673 2.938 + 112ARG HH21 1683 1.809 4.625 2.956 + 112ARG HH22 1684 1.897 4.749 2.871 + 112ARG C 1685 2.168 4.047 3.115 + 112ARG O 1686 2.133 3.961 3.195 + 113ASN N 1687 2.151 4.033 2.983 + 113ASN H 1688 2.180 4.111 2.924 + 113ASN CA 1689 2.071 3.926 2.924 + 113ASN HA 1690 1.980 3.914 2.982 + 113ASN CB 1691 2.032 3.969 2.780 + 113ASN HB1 1692 1.998 3.881 2.726 + 113ASN HB2 1693 2.118 4.010 2.728 + 113ASN CG 1694 1.918 4.069 2.775 + 113ASN OD1 1695 1.858 4.106 2.876 + 113ASN ND2 1696 1.881 4.116 2.659 + 113ASN HD21 1697 1.931 4.095 2.574 + 113ASN HD22 1698 1.791 4.163 2.654 + 113ASN C 1699 2.141 3.789 2.927 + 113ASN O 1700 2.073 3.688 2.945 + 114ARG N 1701 2.273 3.782 2.907 + 114ARG H 1702 2.323 3.869 2.891 + 114ARG CA 1703 2.345 3.655 2.882 + 114ARG HA 1704 2.277 3.571 2.899 + 114ARG CB 1705 2.386 3.649 2.733 + 114ARG HB1 1706 2.453 3.564 2.718 + 114ARG HB2 1707 2.441 3.740 2.706 + 114ARG CG 1708 2.264 3.631 2.642 + 114ARG HG1 1709 2.191 3.711 2.658 + 114ARG HG2 1710 2.216 3.536 2.668 + 114ARG CD 1711 2.300 3.627 2.493 + 114ARG HD1 1712 2.214 3.586 2.439 + 114ARG HD2 1713 2.384 3.560 2.478 + 114ARG NE 1714 2.331 3.762 2.440 + 114ARG HE 1715 2.355 3.833 2.506 + 114ARG CZ 1716 2.336 3.794 2.311 + 114ARG NH1 1717 2.312 3.707 2.218 + 114ARG HH11 1718 2.294 3.611 2.242 + 114ARG HH12 1719 2.338 3.732 2.123 + 114ARG NH2 1720 2.369 3.914 2.272 + 114ARG HH21 1721 2.400 3.985 2.334 + 114ARG HH22 1722 2.379 3.931 2.172 + 114ARG C 1723 2.462 3.625 2.976 + 114ARG O 1724 2.516 3.515 2.968 + 115CYS N 1725 2.500 3.717 3.065 + 115CYS H 1726 2.451 3.806 3.066 + 115CYS CA 1727 2.615 3.700 3.154 + 115CYS HA 1728 2.658 3.602 3.135 + 115CYS CB 1729 2.722 3.803 3.120 + 115CYS HB1 1730 2.807 3.790 3.187 + 115CYS HB2 1731 2.680 3.902 3.138 + 115CYS SG 1732 2.781 3.793 2.950 + 115CYS C 1733 2.583 3.705 3.303 + 115CYS O 1734 2.644 3.629 3.379 + 116LYS N 1735 2.490 3.791 3.345 + 116LYS H 1736 2.449 3.853 3.276 + 116LYS CA 1737 2.443 3.802 3.484 + 116LYS HA 1738 2.527 3.832 3.547 + 116LYS CB 1739 2.335 3.911 3.489 + 116LYS HB1 1740 2.246 3.875 3.437 + 116LYS HB2 1741 2.371 3.999 3.435 + 116LYS CG 1742 2.297 3.956 3.631 + 116LYS HG1 1743 2.383 4.002 3.678 + 116LYS HG2 1744 2.265 3.870 3.690 + 116LYS CD 1745 2.182 4.057 3.624 + 116LYS HD1 1746 2.093 4.005 3.589 + 116LYS HD2 1747 2.207 4.136 3.552 + 116LYS CE 1748 2.150 4.121 3.759 + 116LYS HE1 1749 2.242 4.166 3.799 + 116LYS HE2 1750 2.119 4.042 3.828 + 116LYS NZ 1751 2.045 4.225 3.747 + 116LYS HZ1 1752 2.011 4.254 3.838 + 116LYS HZ2 1753 2.079 4.306 3.697 + 116LYS HZ3 1754 1.963 4.190 3.698 + 116LYS C 1755 2.391 3.666 3.533 + 116LYS O 1756 2.322 3.596 3.459 + 117GLY N 1757 2.427 3.627 3.655 + 117GLY H 1758 2.484 3.691 3.709 + 117GLY CA 1759 2.381 3.503 3.720 + 117GLY HA1 1760 2.273 3.498 3.712 + 117GLY HA2 1761 2.406 3.509 3.826 + 117GLY C 1762 2.437 3.370 3.667 + 117GLY O 1763 2.426 3.270 3.738 + 118THR N 1764 2.499 3.364 3.549 + 118THR H 1765 2.505 3.449 3.494 + 118THR CA 1766 2.560 3.240 3.495 + 118THR HA 1767 2.504 3.157 3.536 + 118THR CB 1768 2.544 3.222 3.342 + 118THR HB 1769 2.488 3.130 3.327 + 118THR CG2 1770 2.469 3.333 3.268 + 118THR HG21 1771 2.453 3.303 3.165 + 118THR HG22 1772 2.372 3.348 3.316 + 118THR HG23 1773 2.525 3.425 3.271 + 118THR OG1 1774 2.666 3.205 3.271 + 118THR HG1 1775 2.715 3.290 3.277 + 118THR C 1776 2.703 3.220 3.548 + 118THR O 1777 2.764 3.311 3.605 + 119ASP N 1778 2.760 3.101 3.528 + 119ASP H 1779 2.704 3.029 3.484 + 119ASP CA 1780 2.900 3.070 3.555 + 119ASP HA 1781 2.923 3.101 3.657 + 119ASP CB 1782 2.921 2.918 3.549 + 119ASP HB1 1783 2.893 2.882 3.449 + 119ASP HB2 1784 2.856 2.870 3.622 + 119ASP CG 1785 3.066 2.876 3.578 + 119ASP OD1 1786 3.146 2.956 3.631 + 119ASP OD2 1787 3.101 2.760 3.548 + 119ASP C 1788 2.995 3.148 3.461 + 119ASP O 1789 3.051 3.094 3.365 + 120VAL N 1790 3.016 3.277 3.490 + 120VAL H 1791 2.956 3.318 3.562 + 120VAL CA 1792 3.107 3.364 3.416 + 120VAL HA 1793 3.073 3.366 3.313 + 120VAL CB 1794 3.106 3.509 3.468 + 120VAL HB 1795 3.185 3.563 3.417 + 120VAL CG1 1796 2.977 3.584 3.438 + 120VAL HG11 1797 2.979 3.683 3.483 + 120VAL HG12 1798 2.967 3.596 3.330 + 120VAL HG13 1799 2.892 3.530 3.479 + 120VAL CG2 1800 3.135 3.521 3.618 + 120VAL HG21 1801 3.143 3.626 3.646 + 120VAL HG22 1802 3.055 3.475 3.675 + 120VAL HG23 1803 3.229 3.472 3.642 + 120VAL C 1804 3.252 3.313 3.416 + 120VAL O 1805 3.331 3.350 3.330 + 121GLN N 1806 3.289 3.227 3.511 + 121GLN H 1807 3.218 3.189 3.573 + 121GLN CA 1808 3.425 3.174 3.523 + 121GLN HA 1809 3.494 3.257 3.512 + 121GLN CB 1810 3.441 3.116 3.664 + 121GLN HB1 1811 3.379 3.028 3.676 + 121GLN HB2 1812 3.408 3.192 3.735 + 121GLN CG 1813 3.586 3.079 3.697 + 121GLN HG1 1814 3.654 3.151 3.652 + 121GLN HG2 1815 3.608 2.980 3.657 + 121GLN CD 1816 3.611 3.080 3.848 + 121GLN OE1 1817 3.696 3.152 3.898 + 121GLN NE2 1818 3.536 3.005 3.926 + 121GLN HE21 1819 3.459 2.952 3.891 + 121GLN HE22 1820 3.562 3.002 4.023 + 121GLN C 1821 3.458 3.075 3.409 + 121GLN O 1822 3.575 3.063 3.372 + 122ALA N 1823 3.357 3.014 3.345 + 122ALA H 1824 3.262 3.028 3.379 + 122ALA CA 1825 3.374 2.936 3.222 + 122ALA HA 1826 3.429 2.845 3.246 + 122ALA CB 1827 3.235 2.897 3.171 + 122ALA HB1 1828 3.245 2.833 3.083 + 122ALA HB2 1829 3.180 2.843 3.248 + 122ALA HB3 1830 3.178 2.986 3.143 + 122ALA C 1831 3.453 3.011 3.114 + 122ALA O 1832 3.538 2.953 3.047 + 123TRP N 1833 3.434 3.143 3.103 + 123TRP H 1834 3.365 3.187 3.164 + 123TRP CA 1835 3.499 3.228 3.003 + 123TRP HA 1836 3.484 3.180 2.906 + 123TRP CB 1837 3.428 3.363 3.000 + 123TRP HB1 1838 3.481 3.427 2.930 + 123TRP HB2 1839 3.432 3.410 3.098 + 123TRP CG 1840 3.287 3.353 2.952 + 123TRP CD1 1841 3.178 3.346 3.031 + 123TRP HD1 1842 3.179 3.351 3.138 + 123TRP NE1 1843 3.066 3.324 2.953 + 123TRP HE1 1844 2.972 3.308 2.991 + 123TRP CE2 1845 3.099 3.313 2.820 + 123TRP CZ2 1846 3.025 3.283 2.705 + 123TRP HZ2 1847 2.919 3.263 2.712 + 123TRP CH2 1848 3.091 3.277 2.582 + 123TRP HH2 1849 3.033 3.254 2.493 + 123TRP CZ3 1850 3.229 3.300 2.573 + 123TRP HZ3 1851 3.279 3.295 2.478 + 123TRP CE3 1852 3.303 3.329 2.690 + 123TRP HE3 1853 3.410 3.346 2.684 + 123TRP CD2 1854 3.240 3.335 2.816 + 123TRP C 1855 3.650 3.243 3.020 + 123TRP O 1856 3.717 3.280 2.923 + 124ILE N 1857 3.706 3.210 3.137 + 124ILE H 1858 3.645 3.179 3.212 + 124ILE CA 1859 3.851 3.216 3.165 + 124ILE HA 1860 3.901 3.252 3.076 + 124ILE CB 1861 3.883 3.318 3.277 + 124ILE HB 1862 3.991 3.318 3.290 + 124ILE CG2 1863 3.842 3.459 3.231 + 124ILE HG21 1864 3.877 3.533 3.302 + 124ILE HG22 1865 3.886 3.480 3.134 + 124ILE HG23 1866 3.733 3.466 3.223 + 124ILE CG1 1867 3.818 3.281 3.412 + 124ILE HG11 1868 3.835 3.175 3.432 + 124ILE HG12 1869 3.711 3.298 3.407 + 124ILE CD 1870 3.876 3.360 3.529 + 124ILE HD1 1871 3.831 3.326 3.622 + 124ILE HD2 1872 3.984 3.346 3.535 + 124ILE HD3 1873 3.854 3.467 3.518 + 124ILE C 1874 3.915 3.078 3.191 + 124ILE O 1875 4.037 3.070 3.208 + 125ARG N 1876 3.837 2.968 3.190 + 125ARG H 1877 3.738 2.980 3.174 + 125ARG CA 1878 3.892 2.832 3.199 + 125ARG HA 1879 3.965 2.829 3.280 + 125ARG CB 1880 3.782 2.729 3.231 + 125ARG HB1 1881 3.823 2.629 3.219 + 125ARG HB2 1882 3.699 2.741 3.160 + 125ARG CG 1883 3.730 2.743 3.375 + 125ARG HG1 1884 3.686 2.842 3.387 + 125ARG HG2 1885 3.812 2.732 3.445 + 125ARG CD 1886 3.624 2.636 3.405 + 125ARG HD1 1887 3.673 2.540 3.421 + 125ARG HD2 1888 3.557 2.627 3.319 + 125ARG NE 1889 3.547 2.672 3.525 + 125ARG HE 1890 3.599 2.678 3.612 + 125ARG CZ 1891 3.418 2.699 3.533 + 125ARG NH1 1892 3.335 2.682 3.435 + 125ARG HH11 1893 3.358 2.626 3.355 + 125ARG HH12 1894 3.237 2.704 3.455 + 125ARG NH2 1895 3.366 2.746 3.642 + 125ARG HH21 1896 3.418 2.752 3.726 + 125ARG HH22 1897 3.268 2.776 3.637 + 125ARG C 1898 3.968 2.793 3.071 + 125ARG O 1899 3.933 2.837 2.961 + 126GLY N 1900 4.074 2.714 3.087 + 126GLY H 1901 4.096 2.684 3.181 + 126GLY CA 1902 4.167 2.675 2.981 + 126GLY HA1 1903 4.110 2.651 2.890 + 126GLY HA2 1904 4.219 2.585 3.012 + 126GLY C 1905 4.272 2.780 2.945 + 126GLY O 1906 4.367 2.750 2.872 + 127CYS N 1907 4.260 2.903 2.997 + 127CYS H 1908 4.183 2.921 3.060 + 127CYS CA 1909 4.354 3.012 2.973 + 127CYS HA 1910 4.397 3.001 2.874 + 127CYS CB 1911 4.277 3.145 2.976 + 127CYS HB1 1912 4.344 3.224 2.942 + 127CYS HB2 1913 4.248 3.166 3.079 + 127CYS SG 1914 4.127 3.151 2.874 + 127CYS C 1915 4.469 3.011 3.075 + 127CYS O 1916 4.452 2.966 3.189 + 128ARG N 1917 4.585 3.065 3.035 + 128ARG H 1918 4.593 3.099 2.940 + 128ARG CA 1919 4.701 3.089 3.124 + 128ARG HA 1920 4.684 3.040 3.219 + 128ARG CB 1921 4.828 3.029 3.061 + 128ARG HB1 1922 4.916 3.088 3.090 + 128ARG HB2 1923 4.821 3.032 2.952 + 128ARG CG 1924 4.846 2.884 3.108 + 128ARG HG1 1925 4.904 2.829 3.035 + 128ARG HG2 1926 4.748 2.837 3.115 + 128ARG CD 1927 4.915 2.876 3.245 + 128ARG HD1 1928 4.901 2.775 3.285 + 128ARG HD2 1929 4.868 2.946 3.314 + 128ARG NE 1930 5.060 2.901 3.233 + 128ARG HE 1931 5.109 2.844 3.166 + 128ARG CZ 1932 5.135 2.984 3.304 + 128ARG NH1 1933 5.090 3.068 3.393 + 128ARG HH11 1934 4.991 3.072 3.415 + 128ARG HH12 1935 5.154 3.124 3.445 + 128ARG NH2 1936 5.263 2.982 3.285 + 128ARG HH21 1937 5.302 2.914 3.221 + 128ARG HH22 1938 5.324 3.041 3.340 + 128ARG C 1939 4.713 3.238 3.154 + 128ARG O 1940 4.756 3.317 3.070 + 129LEU N 1941 4.671 3.273 3.276 + 129LEU H 1942 4.647 3.197 3.338 + 129LEU CA 1943 4.655 3.408 3.331 + 129LEU HA 1944 4.683 3.482 3.257 + 129LEU CB 1945 4.505 3.425 3.368 + 129LEU HB1 1946 4.499 3.490 3.455 + 129LEU HB2 1947 4.467 3.328 3.402 + 129LEU CG 1948 4.410 3.483 3.260 + 129LEU HG 1949 4.415 3.591 3.265 + 129LEU CD1 1950 4.441 3.440 3.117 + 129LEU HD11 1951 4.364 3.477 3.049 + 129LEU HD12 1952 4.536 3.481 3.086 + 129LEU HD13 1953 4.446 3.331 3.112 + 129LEU CD2 1954 4.267 3.439 3.292 + 129LEU HD21 1955 4.198 3.487 3.224 + 129LEU HD22 1956 4.259 3.330 3.281 + 129LEU HD23 1957 4.242 3.465 3.394 + 129LEU C 1958 4.753 3.426 3.447 + 129LEU OC1 1959 4.858 3.489 3.426 + 129LEU OC2 1960 4.728 3.367 3.555 + 130SOL OW 1961 0.270 0.717 0.093 + 130SOL HW1 1962 0.234 0.652 0.153 + 130SOL HW2 1963 0.334 0.668 0.041 + 131SOL OW 1964 0.198 0.258 0.986 + 131SOL HW1 1965 0.271 0.230 1.042 + 131SOL HW2 1966 0.120 0.221 1.027 + 132SOL OW 1967 6.617 0.405 0.586 + 132SOL HW1 1968 6.541 0.435 0.536 + 132SOL HW2 1969 6.664 0.347 0.526 + 133SOL OW 1970 0.578 1.306 1.212 + 133SOL HW1 1971 0.493 1.304 1.168 + 133SOL HW2 1972 0.593 1.398 1.231 + 134SOL OW 1973 1.588 1.522 0.707 + 134SOL HW1 1974 1.542 1.490 0.784 + 134SOL HW2 1975 1.521 1.524 0.638 + 135SOL OW 1976 1.144 0.704 0.689 + 135SOL HW1 1977 1.189 0.788 0.681 + 135SOL HW2 1978 1.094 0.710 0.770 + 136SOL OW 1979 1.799 0.557 0.227 + 136SOL HW1 1980 1.808 0.503 0.149 + 136SOL HW2 1981 1.731 0.513 0.278 + 137SOL OW 1982 0.733 1.134 1.059 + 137SOL HW1 1983 0.675 1.174 1.124 + 137SOL HW2 1984 0.772 1.209 1.013 + 138SOL OW 1985 0.868 0.770 1.816 + 138SOL HW1 1986 0.888 0.837 1.882 + 138SOL HW2 1987 0.891 0.812 1.733 + 139SOL OW 1988 0.693 0.988 0.649 + 139SOL HW1 1989 0.758 0.987 0.719 + 139SOL HW2 1990 0.624 1.046 0.681 + 140SOL OW 1991 0.722 1.156 1.835 + 140SOL HW1 1992 0.772 1.229 1.870 + 140SOL HW2 1993 0.646 1.197 1.793 + 141SOL OW 1994 0.343 1.396 1.072 + 141SOL HW1 1995 0.265 1.354 1.036 + 141SOL HW2 1996 0.378 1.449 1.000 + 142SOL OW 1997 1.453 1.506 1.374 + 142SOL HW1 1998 1.507 1.584 1.387 + 142SOL HW2 1999 1.379 1.519 1.433 + 143SOL OW 2000 1.586 0.441 0.742 + 143SOL HW1 2001 1.508 0.444 0.687 + 143SOL HW2 2002 1.573 0.509 0.807 + 144SOL OW 2003 0.255 1.673 0.526 + 144SOL HW1 2004 0.254 1.766 0.552 + 144SOL HW2 2005 0.322 1.668 0.458 + 145SOL OW 2006 1.136 1.345 1.694 + 145SOL HW1 2007 1.183 1.333 1.777 + 145SOL HW2 2008 1.084 1.266 1.685 + 146SOL OW 2009 0.263 1.396 0.513 + 146SOL HW1 2010 0.256 1.490 0.527 + 146SOL HW2 2011 0.210 1.357 0.582 + 147SOL OW 2012 0.273 1.097 0.893 + 147SOL HW1 2013 0.280 1.004 0.916 + 147SOL HW2 2014 0.214 1.134 0.958 + 148SOL OW 2015 0.583 1.808 1.407 + 148SOL HW1 2016 0.507 1.787 1.462 + 148SOL HW2 2017 0.619 1.888 1.446 + 149SOL OW 2018 0.566 1.003 0.180 + 149SOL HW1 2019 0.580 1.072 0.115 + 149SOL HW2 2020 0.618 1.030 0.256 + 150SOL OW 2021 1.627 0.099 1.486 + 150SOL HW1 2022 1.669 0.136 1.408 + 150SOL HW2 2023 1.619 0.173 1.546 + 151SOL OW 2024 0.135 0.644 0.531 + 151SOL HW1 2025 0.089 0.566 0.562 + 151SOL HW2 2026 0.116 0.711 0.597 + 152SOL OW 2027 1.844 1.743 0.315 + 152SOL HW1 2028 1.914 1.729 0.378 + 152SOL HW2 2029 1.845 1.837 0.298 + 153SOL OW 2030 6.631 1.599 0.128 + 153SOL HW1 2031 6.637 1.504 0.138 + 153SOL HW2 2032 6.537 1.617 0.128 + 154SOL OW 2033 1.701 0.924 0.659 + 154SOL HW1 2034 1.784 0.881 0.641 + 154SOL HW2 2035 1.682 0.974 0.580 + 155SOL OW 2036 1.664 1.092 0.435 + 155SOL HW1 2037 1.744 1.091 0.382 + 155SOL HW2 2038 1.679 1.162 0.499 + 156SOL OW 2039 0.182 0.753 1.586 + 156SOL HW1 2040 0.277 0.756 1.599 + 156SOL HW2 2041 0.151 0.840 1.611 + 157SOL OW 2042 0.619 1.380 0.747 + 157SOL HW1 2043 0.574 1.296 0.743 + 157SOL HW2 2044 0.621 1.411 0.656 + 158SOL OW 2045 1.268 1.224 1.417 + 158SOL HW1 2046 1.295 1.155 1.356 + 158SOL HW2 2047 1.331 1.219 1.489 + 159SOL OW 2048 0.851 0.020 0.547 + 159SOL HW1 2049 0.881 0.106 0.516 + 159SOL HW2 2050 0.755 0.028 0.547 + 160SOL OW 2051 0.195 0.965 1.283 + 160SOL HW1 2052 0.277 0.922 1.262 + 160SOL HW2 2053 0.127 0.905 1.252 + 161SOL OW 2054 1.505 1.004 0.228 + 161SOL HW1 2055 1.444 0.940 0.267 + 161SOL HW2 2056 1.563 1.028 0.300 + 162SOL OW 2057 1.183 1.827 1.641 + 162SOL HW1 2058 1.182 1.890 1.569 + 162SOL HW2 2059 1.202 1.743 1.600 + 163SOL OW 2060 1.476 1.413 0.933 + 163SOL HW1 2061 1.411 1.434 0.999 + 163SOL HW2 2062 1.457 1.322 0.908 + 164SOL OW 2063 1.640 1.783 0.574 + 164SOL HW1 2064 1.623 1.743 0.488 + 164SOL HW2 2065 1.635 1.710 0.636 + 165SOL OW 2066 0.610 0.738 0.267 + 165SOL HW1 2067 0.587 0.825 0.236 + 165SOL HW2 2068 0.539 0.714 0.326 + 166SOL OW 2069 1.279 0.395 0.939 + 166SOL HW1 2070 1.188 0.367 0.952 + 166SOL HW2 2071 1.331 0.331 0.987 + 167SOL OW 2072 1.580 1.671 0.324 + 167SOL HW1 2073 1.674 1.685 0.312 + 167SOL HW2 2074 1.548 1.650 0.236 + 168SOL OW 2075 0.799 0.599 1.472 + 168SOL HW1 2076 0.752 0.568 1.549 + 168SOL HW2 2077 0.772 0.539 1.402 + 169SOL OW 2078 1.395 0.486 1.675 + 169SOL HW1 2079 1.397 0.524 1.763 + 169SOL HW2 2080 1.462 0.417 1.677 + 170SOL OW 2081 0.948 0.890 1.583 + 170SOL HW1 2082 1.002 0.823 1.540 + 170SOL HW2 2083 0.900 0.932 1.512 + 171SOL OW 2084 1.014 0.431 1.218 + 171SOL HW1 2085 0.922 0.447 1.240 + 171SOL HW2 2086 1.011 0.382 1.136 + 172SOL OW 2087 1.056 0.716 0.428 + 172SOL HW1 2088 1.079 0.707 0.521 + 172SOL HW2 2089 0.970 0.674 0.421 + 173SOL OW 2090 0.055 0.805 0.765 + 173SOL HW1 2091 0.138 0.845 0.738 + 173SOL HW2 2092 -0.008 0.877 0.763 + 174SOL OW 2093 0.124 1.874 1.581 + 174SOL HW1 2094 0.118 1.837 1.669 + 174SOL HW2 2095 0.034 1.875 1.550 + 175SOL OW 2096 0.876 0.376 0.223 + 175SOL HW1 2097 0.917 0.429 0.155 + 175SOL HW2 2098 0.869 0.289 0.184 + 176SOL OW 2099 1.698 0.566 1.827 + 176SOL HW1 2100 1.669 0.647 1.786 + 176SOL HW2 2101 1.740 0.517 1.757 + 177SOL OW 2102 1.396 1.151 0.550 + 177SOL HW1 2103 1.476 1.145 0.498 + 177SOL HW2 2104 1.341 1.213 0.502 + 178SOL OW 2105 0.509 0.260 0.900 + 178SOL HW1 2106 0.544 0.280 0.987 + 178SOL HW2 2107 0.517 0.343 0.852 + 179SOL OW 2108 0.992 1.455 0.470 + 179SOL HW1 2109 0.968 1.528 0.413 + 179SOL HW2 2110 0.962 1.481 0.557 + 180SOL OW 2111 0.365 1.850 0.910 + 180SOL HW1 2112 0.420 1.773 0.895 + 180SOL HW2 2113 0.427 1.922 0.916 + 181SOL OW 2114 1.804 1.040 0.896 + 181SOL HW1 2115 1.756 1.026 0.814 + 181SOL HW2 2116 1.735 1.051 0.962 + 182SOL OW 2117 1.219 1.551 1.518 + 182SOL HW1 2118 1.205 1.475 1.574 + 182SOL HW2 2119 1.137 1.560 1.469 + 183SOL OW 2120 0.307 0.945 0.246 + 183SOL HW1 2121 0.395 0.970 0.219 + 183SOL HW2 2122 0.289 0.864 0.199 + 184SOL OW 2123 1.485 0.763 0.711 + 184SOL HW1 2124 1.486 0.721 0.796 + 184SOL HW2 2125 1.565 0.816 0.710 + 185SOL OW 2126 0.482 1.281 1.743 + 185SOL HW1 2127 0.461 1.284 1.650 + 185SOL HW2 2128 0.398 1.271 1.787 + 186SOL OW 2129 1.096 1.799 0.195 + 186SOL HW1 2130 1.036 1.752 0.252 + 186SOL HW2 2131 1.129 1.733 0.135 + 187SOL OW 2132 0.188 0.332 1.497 + 187SOL HW1 2133 0.114 0.378 1.457 + 187SOL HW2 2134 0.159 0.242 1.504 + 188SOL OW 2135 1.620 1.370 0.112 + 188SOL HW1 2136 1.578 1.454 0.098 + 188SOL HW2 2137 1.552 1.305 0.091 + 189SOL OW 2138 0.485 1.681 0.371 + 189SOL HW1 2139 0.513 1.764 0.408 + 189SOL HW2 2140 0.531 1.676 0.287 + 190SOL OW 2141 1.411 0.145 0.403 + 190SOL HW1 2142 1.404 0.102 0.318 + 190SOL HW2 2143 1.503 0.134 0.428 + 191SOL OW 2144 0.274 1.780 1.193 + 191SOL HW1 2145 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2.799 5.260 + 1203SOL OW 5180 1.010 2.263 4.928 + 1203SOL HW1 5181 0.918 2.276 4.953 + 1203SOL HW2 5182 1.005 2.218 4.843 + 1204SOL OW 5183 1.058 2.556 4.144 + 1204SOL HW1 5184 1.079 2.555 4.237 + 1204SOL HW2 5185 0.973 2.513 4.137 + 1205SOL OW 5186 0.081 2.621 4.456 + 1205SOL HW1 5187 0.151 2.680 4.430 + 1205SOL HW2 5188 0.046 2.658 4.537 + 1206SOL OW 5189 0.132 3.758 5.321 + 1206SOL HW1 5190 0.123 3.725 5.411 + 1206SOL HW2 5191 0.045 3.745 5.283 + 1207SOL OW 5192 0.886 2.215 3.926 + 1207SOL HW1 5193 0.939 2.267 3.865 + 1207SOL HW2 5194 0.857 2.140 3.874 + 1208SOL OW 5195 6.146 5.535 0.177 + 1208SOL HW1 5196 6.169 5.609 0.122 + 1208SOL HW2 5197 6.171 5.458 0.127 + 1209SOL OW 5198 1.394 3.013 4.270 + 1209SOL HW1 5199 1.474 3.003 4.219 + 1209SOL HW2 5200 1.340 3.073 4.219 + 1210SOL OW 5201 0.565 2.044 4.641 + 1210SOL HW1 5202 0.570 2.064 4.735 + 1210SOL HW2 5203 0.569 2.130 4.598 + 1211SOL OW 5204 0.996 3.318 4.188 + 1211SOL HW1 5205 0.973 3.393 4.133 + 1211SOL HW2 5206 0.969 3.344 4.276 + 1212SOL OW 5207 0.367 3.714 4.616 + 1212SOL HW1 5208 0.420 3.634 4.608 + 1212SOL HW2 5209 0.431 3.784 4.627 + 1213SOL OW 5210 1.804 2.906 4.612 + 1213SOL HW1 5211 1.757 2.891 4.530 + 1213SOL HW2 5212 1.736 2.915 4.678 + 1214SOL OW 5213 1.218 3.435 5.234 + 1214SOL HW1 5214 1.189 3.365 5.293 + 1214SOL HW2 5215 1.138 3.464 5.190 + 1215SOL OW 5216 0.318 2.799 3.952 + 1215SOL HW1 5217 0.404 2.821 3.916 + 1215SOL HW2 5218 0.289 2.724 3.900 + 1216SOL OW 5219 1.484 2.626 4.434 + 1216SOL HW1 5220 1.487 2.582 4.519 + 1216SOL HW2 5221 1.563 2.680 4.432 + 1217SOL OW 5222 2.676 0.029 0.048 + 1217SOL HW1 5223 2.636 0.035 -0.039 + 1217SOL HW2 5224 2.603 0.037 0.109 + 1218SOL OW 5225 1.143 3.642 3.948 + 1218SOL HW1 5226 1.061 3.613 3.988 + 1218SOL HW2 5227 1.162 3.576 3.881 + 1219SOL OW 5228 0.183 2.168 5.206 + 1219SOL HW1 5229 0.110 2.207 5.158 + 1219SOL HW2 5230 0.142 2.116 5.275 + 1220SOL OW 5231 1.628 3.259 3.822 + 1220SOL HW1 5232 1.586 3.343 3.807 + 1220SOL HW2 5233 1.563 3.194 3.795 + 1221SOL OW 5234 0.444 3.609 4.037 + 1221SOL HW1 5235 0.497 3.654 4.102 + 1221SOL HW2 5236 0.508 3.562 3.983 + 1222SOL OW 5237 1.397 1.967 4.185 + 1222SOL HW1 5238 1.398 1.943 4.092 + 1222SOL HW2 5239 1.487 1.952 4.214 + 1223SOL OW 5240 0.288 3.651 4.921 + 1223SOL HW1 5241 0.321 3.577 4.972 + 1223SOL HW2 5242 0.332 3.643 4.836 + 1224SOL OW 5243 0.942 3.563 4.619 + 1224SOL HW1 5244 1.026 3.521 4.636 + 1224SOL HW2 5245 0.906 3.514 4.544 + 1225SOL OW 5246 0.404 2.553 4.183 + 1225SOL HW1 5247 0.392 2.459 4.198 + 1225SOL HW2 5248 0.319 2.592 4.201 + 1226SOL OW 5249 5.886 5.163 0.023 + 1226SOL HW1 5250 5.900 5.137 0.114 + 1226SOL HW2 5251 5.812 5.110 -0.005 + 1227SOL OW 5252 0.669 1.970 3.830 + 1227SOL HW1 5253 0.717 1.890 3.855 + 1227SOL HW2 5254 0.605 1.940 3.766 + 1228SOL OW 5255 5.171 5.264 0.122 + 1228SOL HW1 5256 5.249 5.212 0.101 + 1228SOL HW2 5257 5.101 5.200 0.131 + 1229SOL OW 5258 0.874 3.384 4.916 + 1229SOL HW1 5259 0.850 3.347 4.831 + 1229SOL HW2 5260 0.937 3.322 4.952 + 1230SOL OW 5261 1.324 2.456 5.164 + 1230SOL HW1 5262 1.366 2.421 5.243 + 1230SOL HW2 5263 1.362 2.543 5.154 + 1231SOL OW 5264 0.814 3.239 4.676 + 1231SOL HW1 5265 0.902 3.235 4.639 + 1231SOL HW2 5266 0.757 3.253 4.600 + 1232SOL OW 5267 0.924 2.374 4.610 + 1232SOL HW1 5268 0.899 2.363 4.518 + 1232SOL HW2 5269 0.956 2.288 4.637 + 1233SOL OW 5270 0.567 1.923 4.216 + 1233SOL HW1 5271 0.490 1.930 4.272 + 1233SOL HW2 5272 0.561 1.997 4.156 + 1234SOL OW 5273 1.430 3.076 3.757 + 1234SOL HW1 5274 1.461 3.003 3.811 + 1234SOL HW2 5275 1.344 3.099 3.793 + 1235SOL OW 5276 0.252 1.910 3.914 + 1235SOL HW1 5277 0.301 1.979 3.869 + 1235SOL HW2 5278 0.320 1.853 3.951 + 1236SOL OW 5279 0.952 2.112 4.174 + 1236SOL HW1 5280 0.926 2.147 4.088 + 1236SOL HW2 5281 1.046 2.128 4.180 + 1237SOL OW 5282 1.069 2.560 5.175 + 1237SOL HW1 5283 1.004 2.490 5.184 + 1237SOL HW2 5284 1.153 2.514 5.172 + 1238SOL OW 5285 1.203 3.450 4.527 + 1238SOL HW1 5286 1.221 3.509 4.454 + 1238SOL HW2 5287 1.264 3.478 4.595 + 1239SOL OW 5288 0.483 3.024 4.432 + 1239SOL HW1 5289 0.415 3.008 4.497 + 1239SOL HW2 5290 0.438 3.019 4.348 + 1240SOL OW 5291 1.250 3.653 4.339 + 1240SOL HW1 5292 1.299 3.716 4.287 + 1240SOL HW2 5293 1.179 3.704 4.379 + 1241SOL OW 5294 1.032 2.376 3.755 + 1241SOL HW1 5295 0.989 2.459 3.734 + 1241SOL HW2 5296 1.097 2.398 3.822 + 1242SOL OW 5297 0.122 2.469 5.093 + 1242SOL HW1 5298 0.212 2.451 5.067 + 1242SOL HW2 5299 0.130 2.515 5.177 + 1243SOL OW 5300 0.564 2.082 4.910 + 1243SOL HW1 5301 0.601 2.011 4.963 + 1243SOL HW2 5302 0.472 2.086 4.937 + 1244SOL OW 5303 0.862 2.313 4.351 + 1244SOL HW1 5304 0.831 2.370 4.280 + 1244SOL HW2 5305 0.892 2.234 4.306 + 1245SOL OW 5306 1.020 1.917 4.464 + 1245SOL HW1 5307 0.960 1.909 4.390 + 1245SOL HW2 5308 0.995 1.846 4.523 + 1246SOL OW 5309 1.429 3.013 4.576 + 1246SOL HW1 5310 1.358 2.950 4.588 + 1246SOL HW2 5311 1.440 3.020 4.482 + 1247SOL OW 5312 1.463 2.475 4.671 + 1247SOL HW1 5313 1.398 2.405 4.681 + 1247SOL HW2 5314 1.519 2.468 4.748 + 1248SOL OW 5315 1.825 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1266SOL HW1 5370 1.301 3.283 4.158 + 1266SOL HW2 5371 1.156 3.237 4.153 + 1267SOL OW 5372 1.295 3.331 4.873 + 1267SOL HW1 5373 1.351 3.337 4.951 + 1267SOL HW2 5374 1.228 3.266 4.897 + 1268SOL OW 5375 1.577 2.479 4.211 + 1268SOL HW1 5376 1.525 2.522 4.279 + 1268SOL HW2 5377 1.630 2.549 4.173 + 1269SOL OW 5378 0.342 3.398 5.029 + 1269SOL HW1 5379 0.333 3.345 4.950 + 1269SOL HW2 5380 0.436 3.410 5.041 + 1270SOL OW 5381 0.464 2.604 5.369 + 1270SOL HW1 5382 0.514 2.652 5.303 + 1270SOL HW2 5383 0.518 2.528 5.389 + 1271SOL OW 5384 6.015 5.794 0.044 + 1271SOL HW1 5385 5.933 5.840 0.026 + 1271SOL HW2 5386 6.069 5.811 -0.032 + 1272SOL OW 5387 5.394 5.118 0.072 + 1272SOL HW1 5388 5.467 5.176 0.051 + 1272SOL HW2 5389 5.432 5.031 0.071 + 1273SOL OW 5390 4.954 5.050 0.017 + 1273SOL HW1 5391 4.902 4.988 -0.034 + 1273SOL HW2 5392 4.889 5.099 0.068 + 1274SOL OW 5393 0.602 2.733 4.771 + 1274SOL HW1 5394 0.641 2.821 4.768 + 1274SOL HW2 5395 0.546 2.734 4.849 + 1275SOL OW 5396 1.310 2.709 4.728 + 1275SOL 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0.957 3.481 5.321 + 1284SOL HW2 5425 1.009 3.382 5.423 + 1285SOL OW 5426 1.860 3.344 5.341 + 1285SOL HW1 5427 1.876 3.375 5.252 + 1285SOL HW2 5428 1.939 3.366 5.390 + 1286SOL OW 5429 4.737 5.884 0.160 + 1286SOL HW1 5430 4.797 5.950 0.195 + 1286SOL HW2 5431 4.792 5.829 0.104 + 1287SOL OW 5432 1.522 2.128 3.842 + 1287SOL HW1 5433 1.470 2.057 3.880 + 1287SOL HW2 5434 1.561 2.173 3.917 + 1288SOL OW 5435 1.278 2.682 3.744 + 1288SOL HW1 5436 1.319 2.596 3.751 + 1288SOL HW2 5437 1.312 2.718 3.662 + 1289SOL OW 5438 1.068 3.216 4.587 + 1289SOL HW1 5439 1.081 3.145 4.525 + 1289SOL HW2 5440 1.122 3.288 4.553 + 1290SOL OW 5441 0.341 2.704 4.661 + 1290SOL HW1 5442 0.434 2.702 4.686 + 1290SOL HW2 5443 0.312 2.613 4.672 + 1291SOL OW 5444 0.334 2.357 4.736 + 1291SOL HW1 5445 0.298 2.269 4.723 + 1291SOL HW2 5446 0.402 2.365 4.669 + 1292SOL OW 5447 5.566 5.338 0.020 + 1292SOL HW1 5448 5.540 5.374 0.104 + 1292SOL HW2 5449 5.650 5.379 0.001 + 1293SOL OW 5450 1.152 2.060 5.192 + 1293SOL HW1 5451 1.145 2.120 5.266 + 1293SOL HW2 5452 1.198 2.109 5.124 + 1294SOL OW 5453 0.048 3.152 3.892 + 1294SOL HW1 5454 -0.039 3.162 3.852 + 1294SOL HW2 5455 0.042 3.069 3.940 + 1295SOL OW 5456 0.088 3.672 4.634 + 1295SOL HW1 5457 0.104 3.585 4.598 + 1295SOL HW2 5458 0.174 3.713 4.638 + 1296SOL OW 5459 0.474 3.432 4.608 + 1296SOL HW1 5460 0.543 3.492 4.636 + 1296SOL HW2 5461 0.520 3.367 4.554 + 1297SOL OW 5462 0.949 2.640 4.938 + 1297SOL HW1 5463 1.010 2.630 5.011 + 1297SOL HW2 5464 0.869 2.597 4.969 + 1298SOL OW 5465 0.077 2.375 4.838 + 1298SOL HW1 5466 0.165 2.382 4.800 + 1298SOL HW2 5467 0.082 2.424 4.920 + 1299SOL OW 5468 0.140 2.377 5.414 + 1299SOL HW1 5469 0.185 2.319 5.352 + 1299SOL HW2 5470 0.165 2.465 5.386 + 1300SOL OW 5471 1.388 2.815 5.383 + 1300SOL HW1 5472 1.402 2.909 5.373 + 1300SOL HW2 5473 1.377 2.783 5.294 + 1301SOL OW 5474 0.815 2.430 4.098 + 1301SOL HW1 5475 0.827 2.357 4.036 + 1301SOL HW2 5476 0.744 2.481 4.060 + 1302SOL OW 5477 1.635 2.456 4.883 + 1302SOL HW1 5478 1.628 2.397 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1311SOL HW2 5506 1.257 3.503 4.831 + 1312SOL OW 5507 0.099 3.117 4.754 + 1312SOL HW1 5508 0.070 3.138 4.843 + 1312SOL HW2 5509 0.020 3.128 4.700 + 1313SOL OW 5510 2.889 0.398 0.057 + 1313SOL HW1 5511 2.862 0.483 0.091 + 1313SOL HW2 5512 2.984 0.397 0.065 + 1314SOL OW 5513 1.745 2.048 4.220 + 1314SOL HW1 5514 1.803 2.028 4.146 + 1314SOL HW2 5515 1.717 1.963 4.253 + 1315SOL OW 5516 1.390 3.428 4.229 + 1315SOL HW1 5517 1.446 3.463 4.159 + 1315SOL HW2 5518 1.337 3.503 4.257 + 1316SOL OW 5519 2.305 0.545 0.188 + 1316SOL HW1 5520 2.212 0.558 0.171 + 1316SOL HW2 5521 2.318 0.576 0.277 + 1317SOL OW 5522 1.278 2.797 4.386 + 1317SOL HW1 5523 1.352 2.738 4.400 + 1317SOL HW2 5524 1.315 2.869 4.334 + 1318SOL OW 5525 0.788 3.137 5.125 + 1318SOL HW1 5526 0.763 3.182 5.206 + 1318SOL HW2 5527 0.712 3.146 5.067 + 1319SOL OW 5528 0.669 3.505 3.881 + 1319SOL HW1 5529 0.686 3.519 3.788 + 1319SOL HW2 5530 0.620 3.424 3.886 + 1320SOL OW 5531 1.613 3.570 5.117 + 1320SOL HW1 5532 1.661 3.578 5.035 + 1320SOL 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1.140 2.915 4.422 + 1330SOL OW 5561 1.032 2.112 4.679 + 1330SOL HW1 5562 1.032 2.068 4.594 + 1330SOL HW2 5563 1.025 2.041 4.743 + 1331SOL OW 5564 0.602 3.347 4.203 + 1331SOL HW1 5565 0.654 3.302 4.137 + 1331SOL HW2 5566 0.512 3.341 4.172 + 1332SOL OW 5567 1.741 2.242 5.107 + 1332SOL HW1 5568 1.812 2.306 5.108 + 1332SOL HW2 5569 1.770 2.174 5.047 + 1333SOL OW 5570 0.302 3.183 4.009 + 1333SOL HW1 5571 0.213 3.176 3.975 + 1333SOL HW2 5572 0.292 3.226 4.094 + 1334SOL OW 5573 4.530 6.035 0.067 + 1334SOL HW1 5574 4.452 5.980 0.074 + 1334SOL HW2 5575 4.602 5.977 0.092 + 1335SOL OW 5576 0.683 2.052 5.200 + 1335SOL HW1 5577 0.774 2.028 5.182 + 1335SOL HW2 5578 0.668 2.023 5.290 + 1336SOL OW 5579 0.089 2.203 3.744 + 1336SOL HW1 5580 0.035 2.146 3.688 + 1336SOL HW2 5581 0.118 2.273 3.685 + 1337SOL OW 5582 1.409 2.721 5.123 + 1337SOL HW1 5583 1.356 2.776 5.065 + 1337SOL HW2 5584 1.496 2.721 5.084 + 1338SOL OW 5585 0.000 2.002 4.024 + 1338SOL HW1 5586 0.053 2.066 4.072 + 1338SOL HW2 5587 0.064 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1357SOL OW 5642 0.698 3.261 5.351 + 1357SOL HW1 5643 0.613 3.228 5.379 + 1357SOL HW2 5644 0.699 3.352 5.378 + 1358SOL OW 5645 1.810 2.032 4.952 + 1358SOL HW1 5646 1.806 1.937 4.963 + 1358SOL HW2 5647 1.826 2.045 4.859 + 1359SOL OW 5648 0.412 2.285 4.250 + 1359SOL HW1 5649 0.491 2.244 4.215 + 1359SOL HW2 5650 0.417 2.272 4.344 + 1360SOL OW 5651 1.700 3.329 4.793 + 1360SOL HW1 5652 1.616 3.313 4.748 + 1360SOL HW2 5653 1.703 3.263 4.862 + 1361SOL OW 5654 0.375 2.429 5.004 + 1361SOL HW1 5655 0.418 2.364 5.060 + 1361SOL HW2 5656 0.380 2.391 4.916 + 1362SOL OW 5657 0.838 3.452 4.393 + 1362SOL HW1 5658 0.811 3.522 4.333 + 1362SOL HW2 5659 0.763 3.393 4.396 + 1363SOL OW 5660 1.420 2.096 4.837 + 1363SOL HW1 5661 1.429 2.007 4.871 + 1363SOL HW2 5662 1.376 2.144 4.907 + 1364SOL OW 5663 1.009 1.883 4.838 + 1364SOL HW1 5664 0.954 1.820 4.790 + 1364SOL HW2 5665 1.095 1.842 4.841 + 1365SOL OW 5666 0.779 3.195 4.054 + 1365SOL HW1 5667 0.756 3.103 4.067 + 1365SOL HW2 5668 0.859 3.208 4.105 + 1366SOL OW 5669 0.616 3.436 5.001 + 1366SOL HW1 5670 0.609 3.523 5.038 + 1366SOL HW2 5671 0.707 3.427 4.975 + 1367SOL OW 5672 1.382 1.899 3.918 + 1367SOL HW1 5673 1.422 1.827 3.869 + 1367SOL HW2 5674 1.290 1.873 3.929 + 1368SOL OW 5675 1.294 2.335 4.397 + 1368SOL HW1 5676 1.244 2.416 4.396 + 1368SOL HW2 5677 1.290 2.305 4.488 + 1369SOL OW 5678 1.583 2.050 4.616 + 1369SOL HW1 5679 1.530 2.080 4.691 + 1369SOL HW2 5680 1.583 2.125 4.556 + 1370SOL OW 5681 0.070 2.906 4.014 + 1370SOL HW1 5682 0.155 2.876 3.982 + 1370SOL HW2 5683 0.051 2.850 4.089 + 1371SOL OW 5684 0.897 3.540 4.053 + 1371SOL HW1 5685 0.819 3.526 4.000 + 1371SOL HW2 5686 0.873 3.608 4.115 + 1372SOL OW 5687 0.221 4.397 0.087 + 1372SOL HW1 5688 0.176 4.360 0.164 + 1372SOL HW2 5689 0.154 4.400 0.019 + 1373SOL OW 5690 0.203 3.976 0.992 + 1373SOL HW1 5691 0.238 3.948 1.077 + 1373SOL HW2 5692 0.118 3.933 0.986 + 1374SOL OW 5693 0.021 4.102 0.660 + 1374SOL HW1 5694 -0.015 4.019 0.693 + 1374SOL HW2 5695 0.049 4.082 0.571 + 1375SOL OW 5696 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1402SOL HW1 5778 0.866 3.820 0.496 + 1402SOL HW2 5779 0.733 3.756 0.526 + 1403SOL OW 5780 0.183 4.689 1.293 + 1403SOL HW1 5781 0.265 4.646 1.267 + 1403SOL HW2 5782 0.114 4.627 1.268 + 1404SOL OW 5783 1.563 4.672 0.242 + 1404SOL HW1 5784 1.482 4.629 0.272 + 1404SOL HW2 5785 1.582 4.737 0.310 + 1405SOL OW 5786 1.183 5.544 1.642 + 1405SOL HW1 5787 1.187 5.612 1.575 + 1405SOL HW2 5788 1.196 5.462 1.595 + 1406SOL OW 5789 0.352 3.978 1.892 + 1406SOL HW1 5790 0.399 4.053 1.929 + 1406SOL HW2 5791 0.261 4.005 1.890 + 1407SOL OW 5792 1.482 5.135 0.930 + 1407SOL HW1 5793 1.410 5.158 0.989 + 1407SOL HW2 5794 1.464 5.045 0.903 + 1408SOL OW 5795 1.660 5.514 0.577 + 1408SOL HW1 5796 1.634 5.476 0.494 + 1408SOL HW2 5797 1.645 5.444 0.641 + 1409SOL OW 5798 0.587 4.438 0.280 + 1409SOL HW1 5799 0.592 4.523 0.237 + 1409SOL HW2 5800 0.521 4.451 0.349 + 1410SOL OW 5801 1.281 4.120 0.942 + 1410SOL HW1 5802 1.192 4.084 0.946 + 1410SOL HW2 5803 1.333 4.061 0.997 + 1411SOL OW 5804 1.581 5.402 0.340 + 1411SOL HW1 5805 1.672 5.417 0.315 + 1411SOL HW2 5806 1.538 5.379 0.258 + 1412SOL OW 5807 0.791 4.334 1.435 + 1412SOL HW1 5808 0.763 4.305 1.522 + 1412SOL HW2 5809 0.768 4.261 1.377 + 1413SOL OW 5810 1.391 4.201 1.671 + 1413SOL HW1 5811 1.397 4.244 1.757 + 1413SOL HW2 5812 1.439 4.119 1.681 + 1414SOL OW 5813 0.946 4.604 1.592 + 1414SOL HW1 5814 1.002 4.541 1.547 + 1414SOL HW2 5815 0.898 4.648 1.521 + 1415SOL OW 5816 1.010 4.122 1.207 + 1415SOL HW1 5817 0.918 4.133 1.230 + 1415SOL HW2 5818 1.007 4.078 1.122 + 1416SOL OW 5819 1.059 4.420 0.423 + 1416SOL HW1 5820 1.080 4.418 0.516 + 1416SOL HW2 5821 0.973 4.378 0.416 + 1417SOL OW 5822 0.055 4.542 0.768 + 1417SOL HW1 5823 0.135 4.587 0.739 + 1417SOL HW2 5824 -0.009 4.612 0.778 + 1418SOL OW 5825 0.123 5.590 1.587 + 1418SOL HW1 5826 0.120 5.552 1.675 + 1418SOL HW2 5827 0.033 5.584 1.555 + 1419SOL OW 5828 0.879 4.080 0.209 + 1419SOL HW1 5829 0.917 4.137 0.141 + 1419SOL HW2 5830 0.874 3.994 0.168 + 1420SOL OW 5831 1.698 4.294 1.853 + 1420SOL HW1 5832 1.670 4.368 1.798 + 1420SOL HW2 5833 1.719 4.225 1.790 + 1421SOL OW 5834 1.392 4.879 0.551 + 1421SOL HW1 5835 1.472 4.872 0.499 + 1421SOL HW2 5836 1.337 4.940 0.501 + 1422SOL OW 5837 0.568 3.909 0.916 + 1422SOL HW1 5838 0.576 3.928 1.009 + 1422SOL HW2 5839 0.568 3.995 0.873 + 1423SOL OW 5840 0.989 5.177 0.469 + 1423SOL HW1 5841 0.961 5.252 0.416 + 1423SOL HW2 5842 0.963 5.200 0.558 + 1424SOL OW 5843 0.366 5.574 0.906 + 1424SOL HW1 5844 0.421 5.497 0.893 + 1424SOL HW2 5845 0.428 5.646 0.917 + 1425SOL OW 5846 1.807 4.754 0.882 + 1425SOL HW1 5847 1.759 4.739 0.800 + 1425SOL HW2 5848 1.739 4.773 0.947 + 1426SOL OW 5849 1.218 5.269 1.515 + 1426SOL HW1 5850 1.207 5.194 1.573 + 1426SOL HW2 5851 1.139 5.269 1.460 + 1427SOL OW 5852 0.293 4.682 0.241 + 1427SOL HW1 5853 0.320 4.723 0.158 + 1427SOL HW2 5854 0.297 4.588 0.224 + 1428SOL OW 5855 1.483 4.493 0.711 + 1428SOL HW1 5856 1.487 4.448 0.795 + 1428SOL HW2 5857 1.565 4.542 0.706 + 1429SOL OW 5858 0.483 5.008 1.745 + 1429SOL HW1 5859 0.462 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1447SOL HW2 5914 0.346 3.705 0.238 + 1448SOL OW 5915 0.947 3.975 0.455 + 1448SOL HW1 5916 0.922 4.013 0.371 + 1448SOL HW2 5917 1.042 3.988 0.460 + 1449SOL OW 5918 1.075 4.417 1.443 + 1449SOL HW1 5919 1.012 4.345 1.448 + 1449SOL HW2 5920 1.160 4.374 1.439 + 1450SOL OW 5921 1.200 5.313 0.804 + 1450SOL HW1 5922 1.218 5.372 0.731 + 1450SOL HW2 5923 1.266 5.335 0.869 + 1451SOL OW 5924 0.485 4.881 0.716 + 1451SOL HW1 5925 0.419 4.861 0.782 + 1451SOL HW2 5926 0.438 4.875 0.632 + 1452SOL OW 5927 1.251 5.517 0.618 + 1452SOL HW1 5928 1.300 5.579 0.564 + 1452SOL HW2 5929 1.181 5.568 0.657 + 1453SOL OW 5930 0.999 4.254 0.029 + 1453SOL HW1 5931 0.951 4.335 0.044 + 1453SOL HW2 5932 1.078 4.262 0.083 + 1454SOL OW 5933 0.133 4.338 1.371 + 1454SOL HW1 5934 0.224 4.316 1.348 + 1454SOL HW2 5935 0.139 4.385 1.453 + 1455SOL OW 5936 0.569 3.938 1.189 + 1455SOL HW1 5937 0.603 3.866 1.242 + 1455SOL HW2 5938 0.474 3.937 1.205 + 1456SOL OW 5939 0.866 4.178 0.631 + 1456SOL HW1 5940 0.831 4.234 0.562 + 1456SOL HW2 5941 0.893 4.098 0.586 + 1457SOL OW 5942 1.022 3.781 0.741 + 1457SOL HW1 5943 0.961 3.775 0.668 + 1457SOL HW2 5944 0.997 3.710 0.799 + 1458SOL OW 5945 1.433 4.876 0.853 + 1458SOL HW1 5946 1.366 4.809 0.865 + 1458SOL HW2 5947 1.443 4.884 0.758 + 1459SOL OW 5948 1.459 4.339 0.942 + 1459SOL HW1 5949 1.394 4.269 0.952 + 1459SOL HW2 5950 1.514 4.331 1.020 + 1460SOL OW 5951 1.843 4.537 0.416 + 1460SOL HW1 5952 1.907 4.482 0.462 + 1460SOL HW2 5953 1.806 4.479 0.349 + 1461SOL OW 5954 0.497 5.138 0.086 + 1461SOL HW1 5955 0.430 5.116 0.151 + 1461SOL HW2 5956 0.540 5.055 0.067 + 1462SOL OW 5957 1.710 5.002 0.647 + 1462SOL HW1 5958 1.804 4.995 0.665 + 1462SOL HW2 5959 1.688 5.093 0.669 + 1463SOL OW 5960 1.355 4.310 0.074 + 1463SOL HW1 5961 1.307 4.265 0.143 + 1463SOL HW2 5962 1.433 4.257 0.060 + 1464SOL OW 5963 0.525 3.995 0.329 + 1464SOL HW1 5964 0.569 3.943 0.262 + 1464SOL HW2 5965 0.493 4.072 0.283 + 1465SOL OW 5966 1.719 4.962 1.558 + 1465SOL HW1 5967 1.792 4.914 1.518 + 1465SOL HW2 5968 1.749 4.979 1.648 + 1466SOL OW 5969 1.037 5.074 1.329 + 1466SOL HW1 5970 0.960 5.041 1.377 + 1466SOL HW2 5971 1.111 5.032 1.372 + 1467SOL OW 5972 1.145 4.958 1.101 + 1467SOL HW1 5973 1.086 4.991 1.168 + 1467SOL HW2 5974 1.109 4.989 1.019 + 1468SOL OW 5975 1.618 4.824 1.072 + 1468SOL HW1 5976 1.607 4.886 1.144 + 1468SOL HW2 5977 1.546 4.844 1.012 + 1469SOL OW 5978 0.916 3.808 1.383 + 1469SOL HW1 5979 0.937 3.791 1.291 + 1469SOL HW2 5980 0.996 3.847 1.419 + 1470SOL OW 5981 0.984 4.839 1.723 + 1470SOL HW1 5982 0.894 4.855 1.751 + 1470SOL HW2 5983 0.979 4.758 1.672 + 1471SOL OW 5984 0.734 4.786 0.387 + 1471SOL HW1 5985 0.712 4.756 0.475 + 1471SOL HW2 5986 0.804 4.727 0.359 + 1472SOL OW 5987 0.428 4.553 1.261 + 1472SOL HW1 5988 0.493 4.566 1.330 + 1472SOL HW2 5989 0.408 4.459 1.264 + 1473SOL OW 5990 1.265 4.089 1.291 + 1473SOL HW1 5991 1.293 4.170 1.334 + 1473SOL HW2 5992 1.176 4.108 1.260 + 1474SOL OW 5993 0.070 5.315 1.378 + 1474SOL HW1 5994 0.050 5.385 1.316 + 1474SOL HW2 5995 0.165 5.306 1.375 + 1475SOL OW 5996 0.357 4.839 0.463 + 1475SOL HW1 5997 0.349 4.930 0.434 + 1475SOL HW2 5998 0.349 4.787 0.383 + 1476SOL OW 5999 0.547 4.219 0.852 + 1476SOL HW1 6000 0.556 4.282 0.780 + 1476SOL HW2 6001 0.607 4.251 0.920 + 1477SOL OW 6002 1.243 5.080 0.411 + 1477SOL HW1 6003 1.298 5.151 0.444 + 1477SOL HW2 6004 1.155 5.103 0.440 + 1478SOL OW 6005 1.294 5.193 1.115 + 1478SOL HW1 6006 1.340 5.200 1.198 + 1478SOL HW2 6007 1.244 5.111 1.123 + 1479SOL OW 6008 1.533 4.332 0.488 + 1479SOL HW1 6009 1.506 4.386 0.562 + 1479SOL HW2 6010 1.499 4.378 0.411 + 1480SOL OW 6011 0.344 5.258 1.309 + 1480SOL HW1 6012 0.334 5.203 1.232 + 1480SOL HW2 6013 0.438 5.271 1.317 + 1481SOL OW 6014 0.459 4.457 1.628 + 1481SOL HW1 6015 0.513 4.499 1.561 + 1481SOL HW2 6016 0.511 4.382 1.657 + 1482SOL OW 6017 1.619 4.509 1.704 + 1482SOL HW1 6018 1.531 4.545 1.694 + 1482SOL HW2 6019 1.668 4.542 1.628 + 1483SOL OW 6020 0.997 3.864 1.754 + 1483SOL HW1 6021 1.057 3.936 1.735 + 1483SOL HW2 6022 1.048 3.785 1.734 + 1484SOL OW 6023 0.499 3.770 1.768 + 1484SOL HW1 6024 0.449 3.720 1.704 + 1484SOL HW2 6025 0.441 3.842 1.793 + 1485SOL OW 6026 0.602 4.596 1.048 + 1485SOL HW1 6027 0.637 4.685 1.047 + 1485SOL HW2 6028 0.541 4.595 1.122 + 1486SOL OW 6029 1.305 4.575 1.003 + 1486SOL HW1 6030 1.217 4.548 0.980 + 1486SOL HW2 6031 1.360 4.499 0.982 + 1487SOL OW 6032 1.175 4.223 0.262 + 1487SOL HW1 6033 1.193 4.151 0.322 + 1487SOL HW2 6034 1.141 4.293 0.318 + 1488SOL OW 6035 0.301 3.904 1.233 + 1488SOL HW1 6036 0.265 3.929 1.318 + 1488SOL HW2 6037 0.294 3.808 1.232 + 1489SOL OW 6038 0.036 5.059 1.281 + 1489SOL HW1 6039 0.058 4.994 1.347 + 1489SOL HW2 6040 0.045 5.143 1.326 + 1490SOL OW 6041 0.707 4.338 1.038 + 1490SOL HW1 6042 0.786 4.332 0.985 + 1490SOL HW2 6043 0.681 4.430 1.033 + 1491SOL OW 6044 1.740 4.694 1.871 + 1491SOL HW1 6045 1.700 4.624 1.819 + 1491SOL HW2 6046 1.675 4.716 1.937 + 1492SOL OW 6047 0.315 3.795 0.631 + 1492SOL HW1 6048 0.291 3.886 0.650 + 1492SOL HW2 6049 0.329 3.755 0.716 + 1493SOL OW 6050 1.722 4.144 0.424 + 1493SOL HW1 6051 1.684 4.057 0.422 + 1493SOL HW2 6052 1.648 4.202 0.443 + 1494SOL OW 6053 1.032 4.480 0.957 + 1494SOL HW1 6054 1.010 4.495 1.049 + 1494SOL HW2 6055 1.002 4.391 0.938 + 1495SOL OW 6056 0.990 5.297 1.738 + 1495SOL HW1 6057 0.970 5.336 1.653 + 1495SOL HW2 6058 1.027 5.211 1.716 + 1496SOL OW 6059 0.392 4.675 1.785 + 1496SOL HW1 6060 0.460 4.690 1.851 + 1496SOL HW2 6061 0.421 4.598 1.737 + 1497SOL OW 6062 1.294 4.568 0.044 + 1497SOL HW1 6063 1.314 4.475 0.043 + 1497SOL HW2 6064 1.366 4.608 -0.005 + 1498SOL OW 6065 1.065 5.078 0.865 + 1498SOL HW1 6066 1.077 5.006 0.803 + 1498SOL HW2 6067 1.119 5.150 0.830 + 1499SOL OW 6068 0.332 4.558 0.950 + 1499SOL HW1 6069 0.428 4.559 0.960 + 1499SOL HW2 6070 0.309 4.465 0.953 + 1500SOL OW 6071 0.329 4.219 1.015 + 1500SOL HW1 6072 0.290 4.133 1.000 + 1500SOL HW2 6073 0.401 4.224 0.952 + 1501SOL OW 6074 1.139 4.091 1.683 + 1501SOL HW1 6075 1.094 4.141 1.751 + 1501SOL HW2 6076 1.223 4.135 1.673 + 1502SOL OW 6077 1.155 3.912 1.472 + 1502SOL HW1 6078 1.144 3.974 1.544 + 1502SOL HW2 6079 1.201 3.962 1.405 + 1503SOL OW 6080 0.067 5.032 0.137 + 1503SOL HW1 6081 0.059 4.997 0.048 + 1503SOL HW2 6082 0.040 4.960 0.194 + 1504SOL OW 6083 0.089 5.539 0.910 + 1504SOL HW1 6084 0.098 5.451 0.872 + 1504SOL HW2 6085 0.179 5.571 0.916 + 1505SOL OW 6086 0.473 5.294 0.884 + 1505SOL HW1 6087 0.543 5.354 0.910 + 1505SOL HW2 6088 0.518 5.227 0.831 + 1506SOL OW 6089 0.947 4.503 1.214 + 1506SOL HW1 6090 1.009 4.492 1.285 + 1506SOL HW2 6091 0.867 4.459 1.244 + 1507SOL OW 6092 0.074 4.241 1.120 + 1507SOL HW1 6093 0.162 4.245 1.082 + 1507SOL HW2 6094 0.083 4.282 1.206 + 1508SOL OW 6095 0.196 4.250 1.723 + 1508SOL HW1 6096 0.264 4.211 1.668 + 1508SOL HW2 6097 0.172 4.330 1.677 + 1509SOL OW 6098 1.383 4.641 1.650 + 1509SOL HW1 6099 1.401 4.735 1.646 + 1509SOL HW2 6100 1.380 4.613 1.559 + 1510SOL OW 6101 0.814 4.297 0.379 + 1510SOL HW1 6102 0.822 4.222 0.320 + 1510SOL HW2 6103 0.737 4.344 0.347 + 1511SOL OW 6104 1.626 4.320 1.156 + 1511SOL HW1 6105 1.613 4.267 1.235 + 1511SOL HW2 6106 1.719 4.309 1.135 + 1512SOL OW 6107 0.256 5.271 1.713 + 1512SOL HW1 6108 0.212 5.322 1.780 + 1512SOL HW2 6109 0.254 5.181 1.745 + 1513SOL OW 6110 0.736 4.154 1.238 + 1513SOL HW1 6111 0.675 4.081 1.225 + 1513SOL HW2 6112 0.714 4.216 1.168 + 1514SOL OW 6113 0.925 5.398 1.480 + 1514SOL HW1 6114 0.891 5.352 1.404 + 1514SOL HW2 6115 0.921 5.491 1.457 + 1515SOL OW 6116 0.439 4.218 0.197 + 1515SOL HW1 6117 0.500 4.289 0.216 + 1515SOL HW2 6118 0.365 4.260 0.152 + 1516SOL OW 6119 0.145 4.885 1.470 + 1516SOL HW1 6120 0.128 4.838 1.552 + 1516SOL HW2 6121 0.161 4.816 1.406 + 1517SOL OW 6122 1.303 4.759 1.206 + 1517SOL HW1 6123 1.312 4.694 1.136 + 1517SOL HW2 6124 1.248 4.828 1.168 + 1518SOL OW 6125 1.326 4.549 0.322 + 1518SOL HW1 6126 1.245 4.518 0.362 + 1518SOL HW2 6127 1.307 4.553 0.228 + 1519SOL OW 6128 1.757 5.467 1.132 + 1519SOL HW1 6129 1.831 5.480 1.073 + 1519SOL HW2 6130 1.739 5.374 1.128 + 1520SOL OW 6131 1.240 5.462 1.083 + 1520SOL HW1 6132 1.328 5.489 1.055 + 1520SOL HW2 6133 1.249 5.369 1.103 + 1521SOL OW 6134 0.102 4.988 1.026 + 1521SOL HW1 6135 0.077 5.004 1.117 + 1521SOL HW2 6136 0.021 5.004 0.976 + 1522SOL OW 6137 0.692 5.409 1.752 + 1522SOL HW1 6138 0.629 5.480 1.740 + 1522SOL HW2 6139 0.769 5.437 1.702 + 1523SOL OW 6140 0.908 3.826 0.096 + 1523SOL HW1 6141 0.943 3.837 0.008 + 1523SOL HW2 6142 0.968 3.765 0.139 + 1524SOL OW 6143 1.681 3.865 0.463 + 1524SOL HW1 6144 1.761 3.861 0.410 + 1524SOL HW2 6145 1.685 3.788 0.519 + 1525SOL OW 6146 1.393 5.295 0.512 + 1525SOL HW1 6147 1.452 5.330 0.445 + 1525SOL HW2 6148 1.340 5.370 0.539 + 1526SOL OW 6149 0.115 5.493 1.848 + 1526SOL HW1 6150 0.081 5.419 1.898 + 1526SOL HW2 6151 0.168 5.542 1.911 + 1527SOL OW 6152 1.277 4.664 0.668 + 1527SOL HW1 6153 1.350 4.604 0.680 + 1527SOL HW2 6154 1.312 4.736 0.615 + 1528SOL OW 6155 0.781 5.003 1.417 + 1528SOL HW1 6156 0.757 5.053 1.494 + 1528SOL HW2 6157 0.706 5.011 1.358 + 1529SOL OW 6158 0.652 5.352 0.173 + 1529SOL HW1 6159 0.647 5.416 0.102 + 1529SOL HW2 6160 0.606 5.275 0.138 + 1530SOL OW 6161 1.577 5.470 1.354 + 1530SOL HW1 6162 1.641 5.476 1.283 + 1530SOL HW2 6163 1.582 5.555 1.399 + 1531SOL OW 6164 1.849 3.879 0.964 + 1531SOL HW1 6165 1.874 3.790 0.942 + 1531SOL HW2 6166 1.761 3.889 0.928 + 1532SOL OW 6167 0.278 4.040 0.741 + 1532SOL HW1 6168 0.196 4.080 0.712 + 1532SOL HW2 6169 0.261 4.014 0.831 + 1533SOL OW 6170 3.389 2.200 5.415 + 1533SOL HW1 6171 3.391 2.114 5.456 + 1533SOL HW2 6172 3.383 2.181 5.321 + 1534SOL OW 6173 0.826 4.736 1.385 + 1534SOL HW1 6174 0.861 4.729 1.296 + 1534SOL HW2 6175 0.813 4.830 1.398 + 1535SOL OW 6176 0.924 4.623 0.285 + 1535SOL HW1 6177 0.981 4.664 0.220 + 1535SOL HW2 6178 0.982 4.564 0.333 + 1536SOL OW 6179 1.461 5.327 0.104 + 1536SOL HW1 6180 1.375 5.347 0.068 + 1536SOL HW2 6181 1.522 5.383 0.054 + 1537SOL OW 6182 0.375 5.036 1.498 + 1537SOL HW1 6183 0.359 5.115 1.446 + 1537SOL HW2 6184 0.297 4.982 1.485 + 1538SOL OW 6185 1.607 5.022 1.284 + 1538SOL HW1 6186 1.648 4.999 1.368 + 1538SOL HW2 6187 1.539 5.085 1.307 + 1539SOL OW 6188 1.072 4.846 0.728 + 1539SOL HW1 6189 0.999 4.795 0.762 + 1539SOL HW2 6190 1.137 4.780 0.701 + 1540SOL OW 6191 1.033 3.974 0.959 + 1540SOL HW1 6192 1.033 3.931 0.873 + 1540SOL HW2 6193 1.026 3.902 1.022 + 1541SOL OW 6194 0.615 5.207 0.481 + 1541SOL HW1 6195 0.662 5.158 0.413 + 1541SOL HW2 6196 0.533 5.234 0.438 + 1542SOL OW 6197 1.750 4.095 1.404 + 1542SOL HW1 6198 1.813 4.167 1.398 + 1542SOL HW2 6199 1.779 4.032 1.338 + 1543SOL OW 6200 0.308 5.067 0.264 + 1543SOL HW1 6201 0.223 5.061 0.221 + 1543SOL HW2 6202 0.288 5.099 0.352 + 1544SOL OW 6203 0.141 4.745 1.718 + 1544SOL HW1 6204 0.088 4.713 1.791 + 1544SOL HW2 6205 0.231 4.727 1.744 + 1545SOL OW 6206 0.681 3.916 1.500 + 1545SOL HW1 6207 0.764 3.892 1.460 + 1545SOL HW2 6208 0.705 3.949 1.587 + 1546SOL OW 6209 -0.003 4.080 0.056 + 1546SOL HW1 6210 0.032 4.003 0.011 + 1546SOL HW2 6211 0.071 4.140 0.062 + 1547SOL OW 6212 1.410 4.577 1.386 + 1547SOL HW1 6213 1.359 4.637 1.332 + 1547SOL HW2 6214 1.499 4.581 1.349 + 1548SOL OW 6215 0.049 3.819 0.290 + 1548SOL HW1 6216 0.018 3.899 0.247 + 1548SOL HW2 6217 0.132 3.799 0.248 + 1549SOL OW 6218 1.190 5.068 0.135 + 1549SOL HW1 6219 1.097 5.044 0.128 + 1549SOL HW2 6220 1.209 5.064 0.228 + 1550SOL OW 6221 0.631 4.554 1.441 + 1550SOL HW1 6222 0.689 4.630 1.429 + 1550SOL HW2 6223 0.689 4.478 1.438 + 1551SOL OW 6224 1.492 5.530 1.002 + 1551SOL HW1 6225 1.515 5.602 0.942 + 1551SOL HW2 6226 1.576 5.500 1.036 + 1552SOL OW 6227 0.712 4.275 1.692 + 1552SOL HW1 6228 0.765 4.329 1.750 + 1552SOL HW2 6229 0.727 4.185 1.721 + 1553SOL OW 6230 1.453 4.906 1.623 + 1553SOL HW1 6231 1.452 4.932 1.715 + 1553SOL HW2 6232 1.543 4.923 1.595 + 1554SOL OW 6233 0.371 5.476 1.571 + 1554SOL HW1 6234 0.286 5.518 1.556 + 1554SOL HW2 6235 0.348 5.391 1.610 + 1555SOL OW 6236 1.643 4.595 1.238 + 1555SOL HW1 6237 1.642 4.513 1.189 + 1555SOL HW2 6238 1.639 4.663 1.171 + 1556SOL OW 6239 1.217 4.034 0.461 + 1556SOL HW1 6240 1.282 3.964 0.455 + 1556SOL HW2 6241 1.245 4.087 0.535 + 1557SOL OW 6242 0.582 4.439 0.682 + 1557SOL HW1 6243 0.625 4.524 0.673 + 1557SOL HW2 6244 0.521 4.434 0.608 + 1558SOL OW 6245 1.745 4.074 1.682 + 1558SOL HW1 6246 1.750 4.088 1.588 + 1558SOL HW2 6247 1.665 4.022 1.694 + 1559SOL OW 6248 1.734 4.627 1.492 + 1559SOL HW1 6249 1.802 4.695 1.488 + 1559SOL HW2 6250 1.708 4.614 1.401 + 1560SOL OW 6251 0.896 5.150 0.089 + 1560SOL HW1 6252 0.848 5.098 0.153 + 1560SOL HW2 6253 0.896 5.239 0.126 + 1561SOL OW 6254 0.655 5.495 0.920 + 1561SOL HW1 6255 0.645 5.590 0.919 + 1561SOL HW2 6256 0.750 5.481 0.925 + 1562SOL OW 6257 0.873 4.700 0.858 + 1562SOL HW1 6258 0.922 4.626 0.893 + 1562SOL HW2 6259 0.829 4.738 0.934 + 1563SOL OW 6260 1.068 4.712 0.074 + 1563SOL HW1 6261 1.024 4.703 -0.010 + 1563SOL HW2 6262 1.151 4.666 0.062 + 1564SOL OW 6263 1.822 5.285 0.849 + 1564SOL HW1 6264 1.746 5.277 0.791 + 1564SOL HW2 6265 1.798 5.235 0.927 + 1565SOL OW 6266 0.218 5.012 1.816 + 1565SOL HW1 6267 0.179 4.942 1.763 + 1565SOL HW2 6268 0.163 5.017 1.894 + 1566SOL OW 6269 0.148 4.947 0.686 + 1566SOL HW1 6270 0.188 4.918 0.768 + 1566SOL HW2 6271 0.140 4.867 0.634 + 1567SOL OW 6272 0.697 5.149 1.635 + 1567SOL HW1 6273 0.619 5.108 1.674 + 1567SOL HW2 6274 0.699 5.237 1.671 + 1568SOL OW 6275 1.819 3.896 1.235 + 1568SOL HW1 6276 1.811 3.802 1.250 + 1568SOL HW2 6277 1.826 3.904 1.140 + 1569SOL OW 6278 0.426 4.156 0.534 + 1569SOL HW1 6279 0.487 4.096 0.491 + 1569SOL HW2 6280 0.412 4.117 0.620 + 1570SOL OW 6281 1.697 5.204 1.087 + 1570SOL HW1 6282 1.620 5.181 1.035 + 1570SOL HW2 6283 1.695 5.142 1.161 + 1571SOL OW 6284 0.382 4.285 1.285 + 1571SOL HW1 6285 0.418 4.217 1.342 + 1571SOL HW2 6286 0.384 4.246 1.197 + 1572SOL OW 6287 0.835 5.319 0.669 + 1572SOL HW1 6288 0.813 5.393 0.613 + 1572SOL HW2 6289 0.758 5.262 0.666 + 1573SOL OW 6290 1.418 3.954 1.111 + 1573SOL HW1 6291 1.419 3.862 1.137 + 1573SOL HW2 6292 1.374 3.999 1.183 + 1574SOL OW 6293 1.008 3.745 1.120 + 1574SOL HW1 6294 0.952 3.684 1.073 + 1574SOL HW2 6295 1.093 3.701 1.123 + 1575SOL OW 6296 0.784 5.047 0.322 + 1575SOL HW1 6297 0.762 4.956 0.342 + 1575SOL HW2 6298 0.859 5.066 0.378 + 1576SOL OW 6299 0.615 5.296 1.281 + 1576SOL HW1 6300 0.612 5.382 1.324 + 1576SOL HW2 6301 0.706 5.289 1.250 + 1577SOL OW 6302 1.326 3.732 0.198 + 1577SOL HW1 6303 1.317 3.790 0.123 + 1577SOL HW2 6304 1.239 3.694 0.211 + 1578SOL OW 6305 1.283 4.192 0.674 + 1578SOL HW1 6306 1.235 4.276 0.674 + 1578SOL HW2 6307 1.285 4.166 0.766 + 1579SOL OW 6308 1.588 3.915 0.896 + 1579SOL HW1 6309 1.533 3.944 0.969 + 1579SOL HW2 6310 1.588 3.989 0.835 + 1580SOL OW 6311 0.038 4.784 0.264 + 1580SOL HW1 6312 0.128 4.750 0.261 + 1580SOL HW2 6313 0.008 4.767 0.353 + 1581SOL OW 6314 0.880 5.391 0.331 + 1581SOL HW1 6315 0.796 5.378 0.287 + 1581SOL HW2 6316 0.863 5.463 0.393 + 1582SOL OW 6317 0.228 4.443 1.952 + 1582SOL HW1 6318 0.207 4.383 2.023 + 1582SOL HW2 6319 0.224 4.389 1.873 + 1583SOL OW 6320 0.210 3.973 2.864 + 1583SOL HW1 6321 0.238 3.945 2.951 + 1583SOL HW2 6322 0.126 3.928 2.851 + 1584SOL OW 6323 6.620 4.117 2.501 + 1584SOL HW1 6324 6.547 4.062 2.530 + 1584SOL HW2 6325 6.657 4.071 2.426 + 1585SOL OW 6326 0.583 5.034 3.069 + 1585SOL HW1 6327 0.496 5.033 3.030 + 1585SOL HW2 6328 0.600 5.126 3.088 + 1586SOL OW 6329 1.547 5.237 2.585 + 1586SOL HW1 6330 1.501 5.213 2.665 + 1586SOL HW2 6331 1.479 5.241 2.518 + 1587SOL OW 6332 1.136 4.427 2.548 + 1587SOL HW1 6333 1.183 4.509 2.534 + 1587SOL HW2 6334 1.089 4.440 2.631 + 1588SOL OW 6335 1.794 4.317 2.104 + 1588SOL HW1 6336 1.762 4.324 2.014 + 1588SOL HW2 6337 1.743 4.246 2.142 + 1589SOL OW 6338 0.727 4.851 2.917 + 1589SOL HW1 6339 0.671 4.893 2.983 + 1589SOL HW2 6340 0.770 4.924 2.873 + 1590SOL OW 6341 0.882 4.467 3.680 + 1590SOL HW1 6342 0.900 4.532 3.748 + 1590SOL HW2 6343 0.899 4.514 3.598 + 1591SOL OW 6344 0.683 4.703 2.512 + 1591SOL HW1 6345 0.753 4.705 2.577 + 1591SOL HW2 6346 0.620 4.768 2.542 + 1592SOL OW 6347 0.718 4.871 3.691 + 1592SOL HW1 6348 0.767 4.945 3.728 + 1592SOL HW2 6349 0.642 4.912 3.649 + 1593SOL OW 6350 0.344 5.123 2.940 + 1593SOL HW1 6351 0.266 5.078 2.909 + 1593SOL HW2 6352 0.376 5.172 2.864 + 1594SOL OW 6353 1.464 5.224 3.223 + 1594SOL HW1 6354 1.520 5.301 3.235 + 1594SOL HW2 6355 1.395 5.234 3.289 + 1595SOL OW 6356 0.427 4.112 3.340 + 1595SOL HW1 6357 0.514 4.072 3.345 + 1595SOL HW2 6358 0.366 4.039 3.353 + 1596SOL OW 6359 1.593 4.170 2.631 + 1596SOL HW1 6360 1.539 4.171 2.553 + 1596SOL HW2 6361 1.549 4.228 2.693 + 1597SOL OW 6362 0.249 5.418 2.385 + 1597SOL HW1 6363 0.262 5.508 2.417 + 1597SOL HW2 6364 0.287 5.418 2.297 + 1598SOL OW 6365 1.140 5.082 3.578 + 1598SOL HW1 6366 1.181 5.064 3.662 + 1598SOL HW2 6367 1.091 5.002 3.557 + 1599SOL OW 6368 0.288 5.145 2.393 + 1599SOL HW1 6369 0.253 5.234 2.397 + 1599SOL HW2 6370 0.233 5.095 2.453 + 1600SOL OW 6371 0.276 4.825 2.746 + 1600SOL HW1 6372 0.284 4.734 2.773 + 1600SOL HW2 6373 0.221 4.865 2.814 + 1601SOL OW 6374 0.567 5.545 3.253 + 1601SOL HW1 6375 0.499 5.516 3.314 + 1601SOL HW2 6376 0.611 5.616 3.299 + 1602SOL OW 6377 0.580 4.713 2.008 + 1602SOL HW1 6378 0.634 4.758 1.944 + 1602SOL HW2 6379 0.615 4.741 2.093 + 1603SOL OW 6380 1.562 3.844 3.321 + 1603SOL HW1 6381 1.606 3.913 3.271 + 1603SOL HW2 6382 1.543 3.884 3.405 + 1604SOL OW 6383 0.122 4.353 2.398 + 1604SOL HW1 6384 0.072 4.277 2.428 + 1604SOL HW2 6385 0.093 4.424 2.455 + 1605SOL OW 6386 1.845 5.470 2.217 + 1605SOL HW1 6387 1.917 5.415 2.247 + 1605SOL HW2 6388 1.882 5.558 2.211 + 1606SOL OW 6389 0.059 5.296 2.022 + 1606SOL HW1 6390 0.060 5.200 2.032 + 1606SOL HW2 6391 -0.009 5.326 2.082 + 1607SOL OW 6392 1.717 4.643 2.474 + 1607SOL HW1 6393 1.778 4.596 2.418 + 1607SOL HW2 6394 1.678 4.710 2.417 + 1608SOL OW 6395 1.647 4.841 2.284 + 1608SOL HW1 6396 1.731 4.839 2.238 + 1608SOL HW2 6397 1.657 4.910 2.349 + 1609SOL OW 6398 0.186 4.505 3.406 + 1609SOL HW1 6399 0.277 4.489 3.433 + 1609SOL HW2 6400 0.162 4.585 3.451 + 1610SOL OW 6401 0.625 5.118 2.590 + 1610SOL HW1 6402 0.583 5.032 2.595 + 1610SOL HW2 6403 0.610 5.147 2.500 + 1611SOL OW 6404 1.268 4.937 3.273 + 1611SOL HW1 6405 1.306 4.871 3.215 + 1611SOL HW2 6406 1.326 4.937 3.350 + 1612SOL OW 6407 0.834 3.739 2.381 + 1612SOL HW1 6408 0.872 3.822 2.352 + 1612SOL HW2 6409 0.740 3.755 2.383 + 1613SOL OW 6410 0.198 4.693 3.140 + 1613SOL HW1 6411 0.280 4.646 3.125 + 1613SOL HW2 6412 0.131 4.624 3.144 + 1614SOL OW 6413 1.527 4.744 2.056 + 1614SOL HW1 6414 1.464 4.680 2.088 + 1614SOL HW2 6415 1.569 4.779 2.135 + 1615SOL OW 6416 0.357 3.976 3.732 + 1615SOL HW1 6417 0.393 4.054 3.773 + 1615SOL HW2 6418 0.265 3.996 3.718 + 1616SOL OW 6419 1.451 5.131 2.825 + 1616SOL HW1 6420 1.381 5.151 2.887 + 1616SOL HW2 6421 1.426 5.046 2.788 + 1617SOL OW 6422 1.638 5.472 2.462 + 1617SOL HW1 6423 1.645 5.431 2.376 + 1617SOL HW2 6424 1.610 5.401 2.520 + 1618SOL OW 6425 0.586 4.425 2.125 + 1618SOL HW1 6426 0.592 4.512 2.084 + 1618SOL HW2 6427 0.524 4.436 2.196 + 1619SOL OW 6428 1.274 4.112 2.797 + 1619SOL HW1 6429 1.186 4.074 2.803 + 1619SOL HW2 6430 1.327 4.056 2.854 + 1620SOL OW 6431 1.583 5.403 2.179 + 1620SOL HW1 6432 1.677 5.421 2.184 + 1620SOL HW2 6433 1.561 5.414 2.087 + 1621SOL OW 6434 0.798 4.331 3.301 + 1621SOL HW1 6435 0.765 4.305 3.387 + 1621SOL HW2 6436 0.772 4.260 3.243 + 1622SOL OW 6437 1.387 4.199 3.540 + 1622SOL HW1 6438 1.393 4.240 3.626 + 1622SOL HW2 6439 1.436 4.118 3.549 + 1623SOL OW 6440 0.946 4.608 3.450 + 1623SOL HW1 6441 1.003 4.546 3.405 + 1623SOL HW2 6442 0.898 4.652 3.379 + 1624SOL OW 6443 1.005 4.122 3.068 + 1624SOL HW1 6444 0.914 4.134 3.094 + 1624SOL HW2 6445 1.001 4.077 2.984 + 1625SOL OW 6446 1.056 4.417 2.281 + 1625SOL HW1 6447 1.076 4.415 2.374 + 1625SOL HW2 6448 0.970 4.374 2.274 + 1626SOL OW 6449 0.038 4.537 2.585 + 1626SOL HW1 6450 0.120 4.583 2.566 + 1626SOL HW2 6451 -0.023 4.607 2.611 + 1627SOL OW 6452 0.120 5.581 3.453 + 1627SOL HW1 6453 0.123 5.551 3.544 + 1627SOL HW2 6454 0.034 5.553 3.422 + 1628SOL OW 6455 0.881 4.079 2.062 + 1628SOL HW1 6456 0.935 4.126 1.999 + 1628SOL HW2 6457 0.847 4.004 2.012 + 1629SOL OW 6458 1.764 4.315 3.687 + 1629SOL HW1 6459 1.717 4.391 3.652 + 1629SOL HW2 6460 1.736 4.242 3.632 + 1630SOL OW 6461 1.385 4.876 2.404 + 1630SOL HW1 6462 1.467 4.870 2.354 + 1630SOL HW2 6463 1.332 4.938 2.354 + 1631SOL OW 6464 0.571 3.905 2.786 + 1631SOL HW1 6465 0.572 3.924 2.880 + 1631SOL HW2 6466 0.572 3.992 2.744 + 1632SOL OW 6467 0.994 5.175 2.327 + 1632SOL HW1 6468 0.967 5.249 2.274 + 1632SOL HW2 6469 0.970 5.200 2.417 + 1633SOL OW 6470 0.368 5.575 2.758 + 1633SOL HW1 6471 0.422 5.496 2.753 + 1633SOL HW2 6472 0.430 5.645 2.775 + 1634SOL OW 6473 1.794 4.797 2.700 + 1634SOL HW1 6474 1.759 4.745 2.628 + 1634SOL HW2 6475 1.718 4.813 2.756 + 1635SOL OW 6476 1.263 5.271 3.396 + 1635SOL HW1 6477 1.223 5.208 3.457 + 1635SOL HW2 6478 1.255 5.355 3.441 + 1636SOL OW 6479 0.314 4.665 2.090 + 1636SOL HW1 6480 0.400 4.687 2.053 + 1636SOL HW2 6481 0.285 4.589 2.040 + 1637SOL OW 6482 1.494 4.494 2.570 + 1637SOL HW1 6483 1.496 4.451 2.656 + 1637SOL HW2 6484 1.578 4.540 2.565 + 1638SOL OW 6485 0.485 4.999 3.601 + 1638SOL HW1 6486 0.461 5.000 3.508 + 1638SOL HW2 6487 0.401 4.997 3.647 + 1639SOL OW 6488 1.134 5.480 2.097 + 1639SOL HW1 6489 1.050 5.448 2.129 + 1639SOL HW2 6490 1.161 5.415 2.032 + 1640SOL OW 6491 0.213 3.942 3.374 + 1640SOL HW1 6492 0.166 4.009 3.424 + 1640SOL HW2 6493 0.175 3.859 3.403 + 1641SOL OW 6494 1.661 5.123 1.952 + 1641SOL HW1 6495 1.619 5.208 1.940 + 1641SOL HW2 6496 1.590 5.060 1.939 + 1642SOL OW 6497 0.444 5.475 2.171 + 1642SOL HW1 6498 0.497 5.517 2.239 + 1642SOL HW2 6499 0.508 5.428 2.116 + 1643SOL OW 6500 1.399 3.834 2.315 + 1643SOL HW1 6501 1.393 3.804 2.224 + 1643SOL HW2 6502 1.492 3.851 2.329 + 1644SOL OW 6503 0.285 5.504 3.069 + 1644SOL HW1 6504 0.320 5.435 3.125 + 1644SOL HW2 6505 0.326 5.487 2.983 + 1645SOL OW 6506 0.932 5.426 2.761 + 1645SOL HW1 6507 1.001 5.372 2.800 + 1645SOL HW2 6508 0.904 5.376 2.684 + 1646SOL OW 6509 0.405 4.408 2.333 + 1646SOL HW1 6510 0.406 4.313 2.344 + 1646SOL HW2 6511 0.314 4.433 2.349 + 1647SOL OW 6512 1.495 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1665SOL HW1 6567 0.960 3.769 2.525 + 1665SOL HW2 6568 0.996 3.706 2.658 + 1666SOL OW 6569 1.410 4.883 2.706 + 1666SOL HW1 6570 1.337 4.823 2.719 + 1666SOL HW2 6571 1.418 4.892 2.611 + 1667SOL OW 6572 1.446 4.330 2.804 + 1667SOL HW1 6573 1.379 4.262 2.808 + 1667SOL HW2 6574 1.485 4.331 2.891 + 1668SOL OW 6575 1.882 4.522 2.274 + 1668SOL HW1 6576 1.976 4.520 2.256 + 1668SOL HW2 6577 1.844 4.464 2.208 + 1669SOL OW 6578 0.509 5.145 2.001 + 1669SOL HW1 6579 0.437 5.107 2.052 + 1669SOL HW2 6580 0.503 5.103 1.916 + 1670SOL OW 6581 1.681 5.015 2.480 + 1670SOL HW1 6582 1.774 5.019 2.505 + 1670SOL HW2 6583 1.643 5.094 2.518 + 1671SOL OW 6584 1.394 4.296 1.926 + 1671SOL HW1 6585 1.336 4.270 1.998 + 1671SOL HW2 6586 1.482 4.269 1.955 + 1672SOL OW 6587 0.552 3.978 2.171 + 1672SOL HW1 6588 0.598 3.934 2.099 + 1672SOL HW2 6589 0.514 4.056 2.132 + 1673SOL OW 6590 1.728 4.956 3.382 + 1673SOL HW1 6591 1.816 4.921 3.379 + 1673SOL HW2 6592 1.739 5.045 3.417 + 1674SOL OW 6593 1.049 5.059 3.165 + 1674SOL HW1 6594 0.969 5.038 3.214 + 1674SOL HW2 6595 1.120 5.024 3.219 + 1675SOL OW 6596 1.619 5.354 3.535 + 1675SOL HW1 6597 1.592 5.393 3.451 + 1675SOL HW2 6598 1.690 5.294 3.512 + 1676SOL OW 6599 1.138 4.914 2.946 + 1676SOL HW1 6600 1.098 4.962 3.019 + 1676SOL HW2 6601 1.118 4.966 2.869 + 1677SOL OW 6602 1.600 4.830 2.909 + 1677SOL HW1 6603 1.594 4.890 2.983 + 1677SOL HW2 6604 1.525 4.852 2.853 + 1678SOL OW 6605 0.918 3.807 3.243 + 1678SOL HW1 6606 0.941 3.790 3.152 + 1678SOL HW2 6607 0.997 3.846 3.280 + 1679SOL OW 6608 0.987 4.845 3.582 + 1679SOL HW1 6609 0.898 4.862 3.611 + 1679SOL HW2 6610 0.982 4.765 3.531 + 1680SOL OW 6611 0.714 4.785 2.242 + 1680SOL HW1 6612 0.696 4.758 2.332 + 1680SOL HW2 6613 0.789 4.732 2.216 + 1681SOL OW 6614 0.424 4.532 3.123 + 1681SOL HW1 6615 0.492 4.541 3.190 + 1681SOL HW2 6616 0.379 4.451 3.145 + 1682SOL OW 6617 1.261 4.092 3.155 + 1682SOL HW1 6618 1.288 4.172 3.200 + 1682SOL HW2 6619 1.172 4.111 3.124 + 1683SOL OW 6620 0.075 5.306 3.231 + 1683SOL HW1 6621 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2.518 + 1701SOL HW2 6676 0.335 3.764 2.564 + 1702SOL OW 6677 1.628 4.119 2.209 + 1702SOL HW1 6678 1.639 4.043 2.266 + 1702SOL HW2 6679 1.594 4.187 2.266 + 1703SOL OW 6680 1.035 4.479 2.815 + 1703SOL HW1 6681 1.013 4.494 2.907 + 1703SOL HW2 6682 1.004 4.390 2.798 + 1704SOL OW 6683 0.958 5.286 3.590 + 1704SOL HW1 6684 0.953 5.332 3.506 + 1704SOL HW2 6685 1.014 5.211 3.573 + 1705SOL OW 6686 1.837 5.205 3.444 + 1705SOL HW1 6687 1.864 5.239 3.358 + 1705SOL HW2 6688 1.905 5.235 3.504 + 1706SOL OW 6689 0.374 4.637 3.676 + 1706SOL HW1 6690 0.447 4.667 3.731 + 1706SOL HW2 6691 0.414 4.576 3.614 + 1707SOL OW 6692 1.520 3.993 1.981 + 1707SOL HW1 6693 1.468 3.921 2.018 + 1707SOL HW2 6694 1.559 4.036 2.057 + 1708SOL OW 6695 1.281 4.542 1.883 + 1708SOL HW1 6696 1.321 4.455 1.888 + 1708SOL HW2 6697 1.314 4.579 1.801 + 1709SOL OW 6698 1.076 5.077 2.723 + 1709SOL HW1 6699 1.088 5.004 2.662 + 1709SOL HW2 6700 1.132 5.146 2.689 + 1710SOL OW 6701 0.331 4.559 2.806 + 1710SOL HW1 6702 0.424 4.569 2.826 + 1710SOL HW2 6703 0.313 4.466 2.820 + 1711SOL OW 6704 0.339 4.212 2.907 + 1711SOL HW1 6705 0.305 4.124 2.890 + 1711SOL HW2 6706 0.409 4.224 2.843 + 1712SOL OW 6707 1.134 4.094 3.544 + 1712SOL HW1 6708 1.088 4.144 3.611 + 1712SOL HW2 6709 1.221 4.134 3.538 + 1713SOL OW 6710 1.154 3.913 3.335 + 1713SOL HW1 6711 1.142 3.975 3.407 + 1713SOL HW2 6712 1.201 3.962 3.268 + 1714SOL OW 6713 0.049 5.009 2.033 + 1714SOL HW1 6714 -0.036 5.023 1.991 + 1714SOL HW2 6715 0.038 4.927 2.082 + 1715SOL OW 6716 0.092 5.534 2.777 + 1715SOL HW1 6717 0.102 5.446 2.741 + 1715SOL HW2 6718 0.181 5.569 2.779 + 1716SOL OW 6719 0.473 5.290 2.744 + 1716SOL HW1 6720 0.542 5.351 2.771 + 1716SOL HW2 6721 0.519 5.225 2.691 + 1717SOL OW 6722 0.951 4.502 3.073 + 1717SOL HW1 6723 1.014 4.491 3.145 + 1717SOL HW2 6724 0.871 4.459 3.104 + 1718SOL OW 6725 0.069 4.250 2.928 + 1718SOL HW1 6726 0.164 4.245 2.924 + 1718SOL HW2 6727 0.045 4.206 3.009 + 1719SOL OW 6728 0.179 4.218 3.469 + 1719SOL HW1 6729 0.271 4.207 3.445 + 1719SOL HW2 6730 0.181 4.270 3.550 + 1720SOL OW 6731 1.380 4.637 3.526 + 1720SOL HW1 6732 1.398 4.730 3.521 + 1720SOL HW2 6733 1.367 4.610 3.435 + 1721SOL OW 6734 0.812 4.292 2.234 + 1721SOL HW1 6735 0.824 4.219 2.174 + 1721SOL HW2 6736 0.739 4.341 2.198 + 1722SOL OW 6737 1.558 4.340 3.049 + 1722SOL HW1 6738 1.528 4.295 3.128 + 1722SOL HW2 6739 1.653 4.328 3.048 + 1723SOL OW 6740 0.244 5.274 3.574 + 1723SOL HW1 6741 0.216 5.329 3.647 + 1723SOL HW2 6742 0.255 5.187 3.613 + 1724SOL OW 6743 0.731 4.156 3.103 + 1724SOL HW1 6744 0.668 4.085 3.091 + 1724SOL HW2 6745 0.712 4.218 3.033 + 1725SOL OW 6746 0.905 5.414 3.352 + 1725SOL HW1 6747 0.916 5.365 3.271 + 1725SOL HW2 6748 0.909 5.506 3.326 + 1726SOL OW 6749 0.443 4.195 2.044 + 1726SOL HW1 6750 0.499 4.272 2.054 + 1726SOL HW2 6751 0.358 4.223 2.081 + 1727SOL OW 6752 0.141 4.881 3.325 + 1727SOL HW1 6753 0.130 4.831 3.406 + 1727SOL HW2 6754 0.162 4.815 3.259 + 1728SOL OW 6755 1.319 4.743 3.063 + 1728SOL HW1 6756 1.323 4.677 2.994 + 1728SOL HW2 6757 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0.319 3.709 3.948 + 1865SOL OW 7166 0.951 3.975 4.174 + 1865SOL HW1 7167 0.926 4.008 4.087 + 1865SOL HW2 7168 1.045 3.993 4.180 + 1866SOL OW 7169 1.078 4.411 5.188 + 1866SOL HW1 7170 1.025 4.334 5.207 + 1866SOL HW2 7171 1.166 4.376 5.169 + 1867SOL OW 7172 1.203 5.312 4.527 + 1867SOL HW1 7173 1.219 5.373 4.455 + 1867SOL HW2 7174 1.283 5.314 4.579 + 1868SOL OW 7175 0.487 4.886 4.463 + 1868SOL HW1 7176 0.427 4.869 4.535 + 1868SOL HW2 7177 0.437 4.866 4.384 + 1869SOL OW 7178 1.249 5.514 4.340 + 1869SOL HW1 7179 1.296 5.573 4.281 + 1869SOL HW2 7180 1.180 5.567 4.379 + 1870SOL OW 7181 1.026 4.239 3.750 + 1870SOL HW1 7182 0.982 4.322 3.730 + 1870SOL HW2 7183 1.086 4.260 3.821 + 1871SOL OW 7184 0.107 4.328 5.103 + 1871SOL HW1 7185 0.199 4.318 5.079 + 1871SOL HW2 7186 0.109 4.356 5.194 + 1872SOL OW 7187 0.567 3.936 4.909 + 1872SOL HW1 7188 0.598 3.868 4.969 + 1872SOL HW2 7189 0.474 3.947 4.930 + 1873SOL OW 7190 0.863 4.176 4.353 + 1873SOL HW1 7191 0.826 4.233 4.285 + 1873SOL HW2 7192 0.892 4.098 4.305 + 1874SOL OW 7193 1.021 3.778 4.463 + 1874SOL HW1 7194 0.960 3.770 4.390 + 1874SOL HW2 7195 0.995 3.706 4.522 + 1875SOL OW 7196 1.424 4.877 4.575 + 1875SOL HW1 7197 1.358 4.809 4.590 + 1875SOL HW2 7198 1.432 4.883 4.480 + 1876SOL OW 7199 1.460 4.341 4.678 + 1876SOL HW1 7200 1.397 4.270 4.691 + 1876SOL HW2 7201 1.519 4.334 4.753 + 1877SOL OW 7202 1.852 4.512 4.072 + 1877SOL HW1 7203 1.894 4.479 4.151 + 1877SOL HW2 7204 1.844 4.435 4.016 + 1878SOL OW 7205 0.504 5.142 3.870 + 1878SOL HW1 7206 0.425 5.110 3.912 + 1878SOL HW2 7207 0.508 5.094 3.787 + 1879SOL OW 7208 1.722 4.972 4.388 + 1879SOL HW1 7209 1.818 4.979 4.388 + 1879SOL HW2 7210 1.691 5.062 4.395 + 1880SOL OW 7211 1.391 4.280 3.801 + 1880SOL HW1 7212 1.321 4.271 3.865 + 1880SOL HW2 7213 1.460 4.221 3.831 + 1881SOL OW 7214 0.538 3.974 4.027 + 1881SOL HW1 7215 0.588 3.934 3.957 + 1881SOL HW2 7216 0.502 4.054 3.989 + 1882SOL OW 7217 1.738 4.972 5.244 + 1882SOL HW1 7218 1.824 4.937 5.221 + 1882SOL HW2 7219 1.756 5.056 5.286 + 1883SOL OW 7220 1.036 5.060 5.045 + 1883SOL HW1 7221 0.958 5.031 5.093 + 1883SOL HW2 7222 1.109 5.029 5.098 + 1884SOL OW 7223 1.652 5.377 5.374 + 1884SOL HW1 7224 1.624 5.400 5.285 + 1884SOL HW2 7225 1.718 5.309 5.362 + 1885SOL OW 7226 1.157 4.965 4.821 + 1885SOL HW1 7227 1.095 4.993 4.889 + 1885SOL HW2 7228 1.118 4.996 4.739 + 1886SOL OW 7229 1.600 4.814 4.799 + 1886SOL HW1 7230 1.591 4.879 4.869 + 1886SOL HW2 7231 1.529 4.833 4.739 + 1887SOL OW 7232 0.923 3.804 5.097 + 1887SOL HW1 7233 0.947 3.796 5.005 + 1887SOL HW2 7234 1.000 3.845 5.138 + 1888SOL OW 7235 3.221 1.727 0.088 + 1888SOL HW1 7236 3.130 1.745 0.112 + 1888SOL HW2 7237 3.216 1.650 0.032 + 1889SOL OW 7238 0.711 4.787 4.104 + 1889SOL HW1 7239 0.695 4.764 4.195 + 1889SOL HW2 7240 0.785 4.732 4.077 + 1890SOL OW 7241 0.423 4.556 4.983 + 1890SOL HW1 7242 0.496 4.567 5.044 + 1890SOL HW2 7243 0.400 4.463 4.991 + 1891SOL OW 7244 1.264 4.087 5.015 + 1891SOL HW1 7245 1.292 4.169 5.054 + 1891SOL HW2 7246 1.173 4.102 4.987 + 1892SOL OW 7247 0.074 5.330 5.112 + 1892SOL HW1 7248 0.052 5.388 5.040 + 1892SOL HW2 7249 0.168 5.313 5.102 + 1893SOL OW 7250 0.357 4.821 4.229 + 1893SOL HW1 7251 0.328 4.911 4.215 + 1893SOL HW2 7252 0.342 4.778 4.144 + 1894SOL OW 7253 0.548 4.223 4.572 + 1894SOL HW1 7254 0.555 4.288 4.501 + 1894SOL HW2 7255 0.609 4.253 4.638 + 1895SOL OW 7256 1.251 5.075 4.124 + 1895SOL HW1 7257 1.307 5.146 4.156 + 1895SOL HW2 7258 1.163 5.100 4.152 + 1896SOL OW 7259 1.309 5.195 4.864 + 1896SOL HW1 7260 1.354 5.200 4.948 + 1896SOL HW2 7261 1.258 5.114 4.869 + 1897SOL OW 7262 1.579 4.350 4.199 + 1897SOL HW1 7263 1.517 4.375 4.268 + 1897SOL HW2 7264 1.633 4.427 4.185 + 1898SOL OW 7265 0.339 5.265 5.031 + 1898SOL HW1 7266 0.329 5.210 4.953 + 1898SOL HW2 7267 0.434 5.277 5.039 + 1899SOL OW 7268 0.457 4.448 5.339 + 1899SOL HW1 7269 0.508 4.494 5.273 + 1899SOL HW2 7270 0.514 4.378 5.369 + 1900SOL OW 7271 1.640 4.518 5.407 + 1900SOL HW1 7272 1.551 4.552 5.396 + 1900SOL HW2 7273 1.688 4.553 5.332 + 1901SOL OW 7274 3.184 0.706 0.088 + 1901SOL HW1 7275 3.265 0.684 0.041 + 1901SOL HW2 7276 3.153 0.622 0.123 + 1902SOL OW 7277 2.702 0.633 0.118 + 1902SOL HW1 7278 2.669 0.586 0.041 + 1902SOL HW2 7279 2.659 0.718 0.114 + 1903SOL OW 7280 0.638 4.592 4.790 + 1903SOL HW1 7281 0.660 4.685 4.783 + 1903SOL HW2 7282 0.549 4.592 4.827 + 1904SOL OW 7283 1.305 4.580 4.726 + 1904SOL HW1 7284 1.217 4.549 4.705 + 1904SOL HW2 7285 1.362 4.504 4.710 + 1905SOL OW 7286 1.187 4.247 3.980 + 1905SOL HW1 7287 1.201 4.172 4.037 + 1905SOL HW2 7288 1.148 4.314 4.036 + 1906SOL OW 7289 0.294 3.922 4.958 + 1906SOL HW1 7290 0.268 3.952 5.044 + 1906SOL HW2 7291 0.290 3.826 4.964 + 1907SOL OW 7292 0.038 5.076 4.998 + 1907SOL HW1 7293 0.060 5.008 5.062 + 1907SOL HW2 7294 0.042 5.158 5.048 + 1908SOL OW 7295 0.711 4.331 4.760 + 1908SOL HW1 7296 0.792 4.326 4.709 + 1908SOL HW2 7297 0.692 4.424 4.766 + 1909SOL OW 7298 3.931 1.632 0.148 + 1909SOL HW1 7299 3.920 1.546 0.109 + 1909SOL HW2 7300 3.858 1.640 0.211 + 1910SOL OW 7301 0.330 3.801 4.353 + 1910SOL HW1 7302 0.307 3.891 4.376 + 1910SOL HW2 7303 0.335 3.756 4.438 + 1911SOL OW 7304 1.639 4.116 4.073 + 1911SOL HW1 7305 1.654 4.051 4.141 + 1911SOL HW2 7306 1.610 4.194 4.121 + 1912SOL OW 7307 1.036 4.478 4.685 + 1912SOL HW1 7308 1.016 4.490 4.778 + 1912SOL HW2 7309 1.006 4.389 4.666 + 1913SOL OW 7310 0.952 5.322 5.414 + 1913SOL HW1 7311 0.957 5.343 5.321 + 1913SOL HW2 7312 1.007 5.244 5.424 + 1914SOL OW 7313 1.859 5.211 5.316 + 1914SOL HW1 7314 1.884 5.239 5.228 + 1914SOL HW2 7315 1.937 5.231 5.370 + 1915SOL OW 7316 2.580 1.522 0.125 + 1915SOL HW1 7317 2.600 1.473 0.205 + 1915SOL HW2 7318 2.621 1.472 0.055 + 1916SOL OW 7319 1.512 4.008 3.851 + 1916SOL HW1 7320 1.465 3.930 3.882 + 1916SOL HW2 7321 1.559 4.039 3.928 + 1917SOL OW 7322 1.278 4.531 3.755 + 1917SOL HW1 7323 1.324 4.448 3.762 + 1917SOL HW2 7324 1.312 4.571 3.675 + 1918SOL OW 7325 1.063 5.079 4.586 + 1918SOL HW1 7326 1.078 5.005 4.527 + 1918SOL HW2 7327 1.117 5.150 4.550 + 1919SOL OW 7328 0.316 4.558 4.666 + 1919SOL HW1 7329 0.328 4.550 4.572 + 1919SOL HW2 7330 0.319 4.467 4.698 + 1920SOL OW 7331 0.331 4.242 4.737 + 1920SOL HW1 7332 0.295 4.155 4.722 + 1920SOL HW2 7333 0.406 4.248 4.678 + 1921SOL OW 7334 1.146 4.130 5.365 + 1921SOL HW1 7335 1.126 4.129 5.459 + 1921SOL HW2 7336 1.235 4.165 5.360 + 1922SOL OW 7337 1.155 3.911 5.203 + 1922SOL HW1 7338 1.140 3.981 5.266 + 1922SOL HW2 7339 1.204 3.953 5.132 + 1923SOL OW 7340 6.640 4.995 3.904 + 1923SOL HW1 7341 6.559 5.009 3.856 + 1923SOL HW2 7342 6.621 4.920 3.962 + 1924SOL OW 7343 0.098 5.542 4.627 + 1924SOL HW1 7344 0.100 5.453 4.593 + 1924SOL HW2 7345 0.190 5.567 4.633 + 1925SOL OW 7346 0.476 5.297 4.608 + 1925SOL HW1 7347 0.547 5.354 4.637 + 1925SOL HW2 7348 0.520 5.231 4.553 + 1926SOL OW 7349 0.957 4.492 4.947 + 1926SOL HW1 7350 1.014 4.477 5.023 + 1926SOL HW2 7351 0.872 4.459 4.974 + 1927SOL OW 7352 0.064 4.200 4.864 + 1927SOL HW1 7353 0.136 4.234 4.810 + 1927SOL HW2 7354 0.068 4.252 4.944 + 1928SOL OW 7355 2.354 1.058 0.051 + 1928SOL HW1 7356 2.378 1.016 -0.031 + 1928SOL HW2 7357 2.356 1.152 0.031 + 1929SOL OW 7358 1.396 4.653 5.362 + 1929SOL HW1 7359 1.417 4.747 5.362 + 1929SOL HW2 7360 1.393 4.629 5.269 + 1930SOL OW 7361 0.817 4.286 4.092 + 1930SOL HW1 7362 0.829 4.212 4.032 + 1930SOL HW2 7363 0.744 4.335 4.054 + 1931SOL OW 7364 1.642 4.322 4.882 + 1931SOL HW1 7365 1.636 4.262 4.956 + 1931SOL HW2 7366 1.734 4.315 4.854 + 1932SOL OW 7367 2.459 2.188 0.058 + 1932SOL HW1 7368 2.412 2.239 0.123 + 1932SOL HW2 7369 2.463 2.100 0.095 + 1933SOL OW 7370 0.736 4.152 4.963 + 1933SOL HW1 7371 0.674 4.081 4.950 + 1933SOL HW2 7372 0.717 4.214 4.892 + 1934SOL OW 7373 0.969 5.393 5.145 + 1934SOL HW1 7374 0.933 5.351 5.067 + 1934SOL HW2 7375 0.942 5.485 5.136 + 1935SOL OW 7376 0.442 4.196 3.895 + 1935SOL HW1 7377 0.503 4.268 3.910 + 1935SOL HW2 7378 0.361 4.224 3.937 + 1936SOL OW 7379 0.134 4.896 5.181 + 1936SOL HW1 7380 0.131 4.864 5.271 + 1936SOL HW2 7381 0.153 4.818 5.129 + 1937SOL OW 7382 1.302 4.763 4.930 + 1937SOL HW1 7383 1.309 4.697 4.861 + 1937SOL HW2 7384 1.251 4.834 4.891 + 1938SOL OW 7385 1.320 4.590 4.022 + 1938SOL HW1 7386 1.251 4.554 4.078 + 1938SOL HW2 7387 1.293 4.568 3.933 + 1939SOL OW 7388 1.790 5.458 4.894 + 1939SOL HW1 7389 1.849 5.477 4.821 + 1939SOL HW2 7390 1.749 5.375 4.870 + 1940SOL OW 7391 1.242 5.462 4.821 + 1940SOL HW1 7392 1.326 5.491 4.786 + 1940SOL HW2 7393 1.256 5.369 4.842 + 1941SOL OW 7394 0.072 4.947 4.755 + 1941SOL HW1 7395 0.074 4.996 4.837 + 1941SOL HW2 7396 -0.018 4.917 4.747 + 1942SOL OW 7397 2.890 2.261 0.060 + 1942SOL HW1 7398 2.870 2.347 0.096 + 1942SOL HW2 7399 2.985 2.256 0.062 + 1943SOL OW 7400 1.717 3.898 4.236 + 1943SOL HW1 7401 1.784 3.873 4.172 + 1943SOL HW2 7402 1.690 3.815 4.276 + 1944SOL OW 7403 1.403 5.291 4.232 + 1944SOL HW1 7404 1.455 5.326 4.159 + 1944SOL HW2 7405 1.346 5.364 4.257 + 1945SOL OW 7406 2.305 2.414 0.191 + 1945SOL HW1 7407 2.212 2.427 0.171 + 1945SOL HW2 7408 2.315 2.442 0.282 + 1946SOL OW 7409 1.274 4.659 4.381 + 1946SOL HW1 7410 1.345 4.596 4.396 + 1946SOL HW2 7411 1.315 4.730 4.333 + 1947SOL OW 7412 0.783 4.996 5.133 + 1947SOL HW1 7413 0.757 5.042 5.213 + 1947SOL HW2 7414 0.708 5.006 5.074 + 1948SOL OW 7415 0.661 5.360 3.896 + 1948SOL HW1 7416 0.677 5.375 3.803 + 1948SOL HW2 7417 0.613 5.277 3.899 + 1949SOL OW 7418 1.607 5.457 5.112 + 1949SOL HW1 7419 1.667 5.459 5.038 + 1949SOL HW2 7420 1.586 5.549 5.129 + 1950SOL OW 7421 1.845 3.887 4.687 + 1950SOL HW1 7422 1.873 3.798 4.669 + 1950SOL HW2 7423 1.757 3.893 4.649 + 1951SOL OW 7424 0.277 4.049 4.442 + 1951SOL HW1 7425 0.189 4.081 4.423 + 1951SOL HW2 7426 0.277 4.032 4.536 + 1952SOL OW 7427 1.220 5.338 3.772 + 1952SOL HW1 7428 1.158 5.280 3.729 + 1952SOL HW2 7429 1.230 5.412 3.712 + 1953SOL OW 7430 0.836 4.731 5.113 + 1953SOL HW1 7431 0.871 4.720 5.024 + 1953SOL HW2 7432 0.820 4.825 5.120 + 1954SOL OW 7433 0.912 4.629 4.025 + 1954SOL HW1 7434 0.962 4.654 3.947 + 1954SOL HW2 7435 0.966 4.564 4.069 + 1955SOL OW 7436 1.505 5.335 3.788 + 1955SOL HW1 7437 1.410 5.339 3.780 + 1955SOL HW2 7438 1.538 5.356 3.701 + 1956SOL OW 7439 0.360 5.046 5.216 + 1956SOL HW1 7440 0.350 5.123 5.159 + 1956SOL HW2 7441 0.283 4.992 5.196 + 1957SOL OW 7442 1.584 5.010 5.002 + 1957SOL HW1 7443 1.647 4.991 5.071 + 1957SOL HW2 7444 1.529 5.080 5.037 + 1958SOL OW 7445 1.079 4.844 4.455 + 1958SOL HW1 7446 1.005 4.794 4.489 + 1958SOL HW2 7447 1.140 4.778 4.422 + 1959SOL OW 7448 1.035 3.973 4.678 + 1959SOL HW1 7449 1.034 3.928 4.593 + 1959SOL HW2 7450 1.030 3.902 4.742 + 1960SOL OW 7451 0.602 5.205 4.201 + 1960SOL HW1 7452 0.661 5.161 4.140 + 1960SOL HW2 7453 0.516 5.200 4.159 + 1961SOL OW 7454 1.723 4.127 5.089 + 1961SOL HW1 7455 1.802 4.181 5.093 + 1961SOL HW2 7456 1.749 4.052 5.034 + 1962SOL OW 7457 0.278 5.056 3.994 + 1962SOL HW1 7458 0.186 5.034 3.979 + 1962SOL HW2 7459 0.282 5.082 4.086 + 1963SOL OW 7460 2.368 1.680 0.040 + 1963SOL HW1 7461 2.297 1.634 0.086 + 1963SOL HW2 7462 2.448 1.633 0.067 + 1964SOL OW 7463 0.686 3.909 5.210 + 1964SOL HW1 7464 0.770 3.883 5.172 + 1964SOL HW2 7465 0.709 3.942 5.297 + 1965SOL OW 7466 0.087 4.044 3.696 + 1965SOL HW1 7467 0.018 4.059 3.762 + 1965SOL HW2 7468 0.105 4.130 3.660 + 1966SOL OW 7469 1.421 4.586 5.102 + 1966SOL HW1 7470 1.370 4.644 5.047 + 1966SOL HW2 7471 1.509 4.586 5.063 + 1967SOL OW 7472 -0.001 3.864 4.016 + 1967SOL HW1 7473 0.056 3.921 4.067 + 1967SOL HW2 7474 0.059 3.807 3.968 + 1968SOL OW 7475 1.186 5.015 3.850 + 1968SOL HW1 7476 1.090 5.007 3.854 + 1968SOL HW2 7477 1.212 5.038 3.939 + 1969SOL OW 7478 0.631 4.558 5.159 + 1969SOL HW1 7479 0.692 4.630 5.150 + 1969SOL HW2 7480 0.686 4.479 5.159 + 1970SOL OW 7481 1.488 5.531 4.723 + 1970SOL HW1 7482 1.520 5.602 4.667 + 1970SOL HW2 7483 1.566 5.477 4.739 + 1971SOL OW 7484 2.873 1.152 0.018 + 1971SOL HW1 7485 2.926 1.217 0.065 + 1971SOL HW2 7486 2.910 1.068 0.044 + 1972SOL OW 7487 1.488 4.914 5.356 + 1972SOL HW1 7488 1.510 4.921 5.449 + 1972SOL HW2 7489 1.570 4.933 5.311 + 1973SOL OW 7490 0.378 5.497 5.299 + 1973SOL HW1 7491 0.293 5.540 5.292 + 1973SOL HW2 7492 0.360 5.414 5.342 + 1974SOL OW 7493 1.659 4.596 4.968 + 1974SOL HW1 7494 1.661 4.512 4.923 + 1974SOL HW2 7495 1.647 4.661 4.899 + 1975SOL OW 7496 1.219 4.049 4.178 + 1975SOL HW1 7497 1.278 3.973 4.177 + 1975SOL HW2 7498 1.247 4.099 4.255 + 1976SOL OW 7499 0.572 4.455 4.418 + 1976SOL HW1 7500 0.632 4.527 4.398 + 1976SOL HW2 7501 0.485 4.492 4.402 + 1977SOL OW 7502 1.775 4.059 5.349 + 1977SOL HW1 7503 1.748 4.089 5.262 + 1977SOL HW2 7504 1.694 4.032 5.392 + 1978SOL OW 7505 1.775 4.648 5.214 + 1978SOL HW1 7506 1.767 4.743 5.219 + 1978SOL HW2 7507 1.750 4.627 5.124 + 1979SOL OW 7508 0.865 5.082 3.784 + 1979SOL HW1 7509 0.830 5.105 3.870 + 1979SOL HW2 7510 0.879 5.165 3.739 + 1980SOL OW 7511 0.664 5.491 4.648 + 1980SOL HW1 7512 0.657 5.587 4.643 + 1980SOL HW2 7513 0.758 5.474 4.650 + 1981SOL OW 7514 0.879 4.701 4.583 + 1981SOL HW1 7515 0.925 4.625 4.620 + 1981SOL HW2 7516 0.833 4.739 4.658 + 1982SOL OW 7517 1.049 4.676 3.798 + 1982SOL HW1 7518 1.045 4.748 3.734 + 1982SOL HW2 7519 1.132 4.632 3.780 + 1983SOL OW 7520 1.860 5.263 4.550 + 1983SOL HW1 7521 1.774 5.246 4.512 + 1983SOL HW2 7522 1.880 5.184 4.600 + 1984SOL OW 7523 2.435 1.926 0.164 + 1984SOL HW1 7524 2.406 1.851 0.111 + 1984SOL HW2 7525 2.401 1.908 0.251 + 1985SOL OW 7526 0.125 4.959 4.415 + 1985SOL HW1 7527 0.120 4.959 4.510 + 1985SOL HW2 7528 0.095 4.872 4.389 + 1986SOL OW 7529 0.699 5.122 5.358 + 1986SOL HW1 7530 0.616 5.087 5.388 + 1986SOL HW2 7531 0.697 5.214 5.384 + 1987SOL OW 7532 1.792 3.904 4.954 + 1987SOL HW1 7533 1.807 3.811 4.974 + 1987SOL HW2 7534 1.816 3.913 4.862 + 1988SOL OW 7535 0.440 4.171 4.244 + 1988SOL HW1 7536 0.507 4.107 4.220 + 1988SOL HW2 7537 0.406 4.141 4.328 + 1989SOL OW 7538 1.669 5.227 4.824 + 1989SOL HW1 7539 1.606 5.200 4.758 + 1989SOL HW2 7540 1.679 5.151 4.881 + 1990SOL OW 7541 0.359 4.291 5.012 + 1990SOL HW1 7542 0.407 4.224 5.061 + 1990SOL HW2 7543 0.365 4.263 4.921 + 1991SOL OW 7544 0.837 5.307 4.397 + 1991SOL HW1 7545 0.810 5.369 4.330 + 1991SOL HW2 7546 0.763 5.246 4.405 + 1992SOL OW 7547 1.433 3.964 4.843 + 1992SOL HW1 7548 1.473 3.891 4.890 + 1992SOL HW2 7549 1.379 4.008 4.909 + 1993SOL OW 7550 1.015 3.741 4.835 + 1993SOL HW1 7551 0.962 3.680 4.784 + 1993SOL HW2 7552 1.102 3.702 4.837 + 1994SOL OW 7553 0.781 5.056 4.055 + 1994SOL HW1 7554 0.756 4.964 4.067 + 1994SOL HW2 7555 0.863 5.065 4.105 + 1995SOL OW 7556 0.612 5.303 4.999 + 1995SOL HW1 7557 0.608 5.392 5.034 + 1995SOL HW2 7558 0.704 5.290 4.975 + 1996SOL OW 7559 1.385 3.766 3.911 + 1996SOL HW1 7560 1.426 3.691 3.868 + 1996SOL HW2 7561 1.294 3.739 3.923 + 1997SOL OW 7562 1.297 4.192 4.401 + 1997SOL HW1 7563 1.251 4.275 4.398 + 1997SOL HW2 7564 1.289 4.163 4.491 + 1998SOL OW 7565 1.581 3.910 4.616 + 1998SOL HW1 7566 1.529 3.939 4.691 + 1998SOL HW2 7567 1.579 3.984 4.555 + 1999SOL OW 7568 0.035 4.760 4.065 + 1999SOL HW1 7569 0.122 4.736 4.033 + 1999SOL HW2 7570 0.032 4.729 4.155 + 2000SOL OW 7571 0.886 5.393 4.067 + 2000SOL HW1 7572 0.807 5.381 4.014 + 2000SOL HW2 7573 0.865 5.467 4.124 + 2001SOL OW 7574 0.232 6.243 0.090 + 2001SOL HW1 7575 0.191 6.212 0.171 + 2001SOL HW2 7576 0.164 6.233 0.023 + 2002SOL OW 7577 0.196 5.833 0.999 + 2002SOL HW1 7578 0.230 5.810 1.086 + 2002SOL HW2 7579 0.110 5.790 0.995 + 2003SOL OW 7580 0.012 5.961 0.661 + 2003SOL HW1 7581 -0.021 5.876 0.689 + 2003SOL HW2 7582 0.046 5.947 0.573 + 2004SOL OW 7583 5.553 0.066 0.699 + 2004SOL HW1 7584 5.603 0.146 0.679 + 2004SOL HW2 7585 5.507 0.086 0.781 + 2005SOL OW 7586 1.763 6.150 0.224 + 2005SOL HW1 7587 1.818 6.091 0.172 + 2005SOL HW2 7588 1.696 6.093 0.261 + 2006SOL OW 7589 5.289 0.101 1.822 + 2006SOL HW1 7590 5.307 0.148 1.904 + 2006SOL HW2 7591 5.299 0.167 1.754 + 2007SOL OW 7592 0.469 5.958 1.466 + 2007SOL HW1 7593 0.545 5.901 1.478 + 2007SOL HW2 7594 0.394 5.904 1.490 + 2008SOL OW 7595 1.568 6.023 0.760 + 2008SOL HW1 7596 1.495 6.024 0.697 + 2008SOL HW2 7597 1.564 6.107 0.804 + 2009SOL OW 7598 0.129 6.224 0.589 + 2009SOL HW1 7599 0.058 6.163 0.612 + 2009SOL HW2 7600 0.108 6.304 0.637 + 2010SOL OW 7601 6.120 0.276 0.609 + 2010SOL HW1 7602 6.201 0.320 0.635 + 2010SOL HW2 7603 6.138 0.241 0.522 + 2011SOL OW 7604 4.548 0.114 1.575 + 2011SOL HW1 7605 4.639 0.142 1.567 + 2011SOL HW2 7606 4.508 0.178 1.634 + 2012SOL OW 7607 0.828 5.594 0.520 + 2012SOL HW1 7608 0.868 5.676 0.492 + 2012SOL HW2 7609 0.734 5.611 0.520 + 2013SOL OW 7610 0.357 5.830 1.878 + 2013SOL HW1 7611 0.393 5.909 1.918 + 2013SOL HW2 7612 0.267 5.853 1.855 + 2014SOL OW 7613 5.022 0.070 0.234 + 2014SOL HW1 7614 5.007 0.149 0.182 + 2014SOL HW2 7615 4.956 0.074 0.303 + 2015SOL OW 7616 1.279 5.982 0.946 + 2015SOL HW1 7617 1.190 5.948 0.948 + 2015SOL HW2 7618 1.329 5.922 1.002 + 2016SOL OW 7619 0.799 6.210 1.442 + 2016SOL HW1 7620 0.761 6.182 1.526 + 2016SOL HW2 7621 0.772 6.142 1.380 + 2017SOL OW 7622 1.357 6.106 1.672 + 2017SOL HW1 7623 1.361 6.146 1.759 + 2017SOL HW2 7624 1.407 6.025 1.681 + 2018SOL OW 7625 5.347 0.285 1.602 + 2018SOL HW1 7626 5.392 0.205 1.573 + 2018SOL HW2 7627 5.360 0.347 1.531 + 2019SOL OW 7628 1.006 5.984 1.210 + 2019SOL HW1 7629 0.916 6.003 1.234 + 2019SOL HW2 7630 1.000 5.948 1.121 + 2020SOL OW 7631 5.463 0.038 0.434 + 2020SOL HW1 7632 5.482 0.038 0.528 + 2020SOL HW2 7633 5.378 -0.004 0.426 + 2021SOL OW 7634 4.519 0.199 0.773 + 2021SOL HW1 7635 4.582 0.208 0.844 + 2021SOL HW2 7636 4.518 0.284 0.729 + 2022SOL OW 7637 0.885 5.940 0.207 + 2022SOL HW1 7638 0.925 5.995 0.140 + 2022SOL HW2 7639 0.880 5.853 0.167 + 2023SOL OW 7640 1.650 6.145 1.863 + 2023SOL HW1 7641 1.634 6.230 1.824 + 2023SOL HW2 7642 1.688 6.092 1.792 + 2024SOL OW 7643 0.564 5.765 0.931 + 2024SOL HW1 7644 0.574 5.784 1.024 + 2024SOL HW2 7645 0.561 5.851 0.889 + 2025SOL OW 7646 4.670 0.259 0.219 + 2025SOL HW1 7647 4.698 0.319 0.150 + 2025SOL HW2 7648 4.663 0.174 0.176 + 2026SOL OW 7649 5.917 0.110 0.729 + 2026SOL HW1 7650 5.899 0.088 0.821 + 2026SOL HW2 7651 5.988 0.174 0.733 + 2027SOL OW 7652 0.228 5.831 1.506 + 2027SOL HW1 7653 0.188 5.902 1.555 + 2027SOL HW2 7654 0.187 5.751 1.540 + 2028SOL 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8471 0.090 5.901 3.686 + 2300SOL HW1 8472 0.019 5.935 3.741 + 2300SOL HW2 8473 0.118 5.977 3.634 + 2301SOL OW 8474 5.859 0.202 5.074 + 2301SOL HW1 8475 5.793 0.224 5.008 + 2301SOL HW2 8476 5.942 0.206 5.026 + 2302SOL OW 8477 0.003 5.741 4.013 + 2302SOL HW1 8478 0.061 5.791 4.071 + 2302SOL HW2 8479 0.061 5.682 3.965 + 2303SOL OW 8480 4.993 0.219 5.161 + 2303SOL HW1 8481 5.019 0.286 5.097 + 2303SOL HW2 8482 5.062 0.153 5.155 + 2304SOL OW 8483 2.880 3.034 0.013 + 2304SOL HW1 8484 2.930 3.100 0.061 + 2304SOL HW2 8485 2.917 2.950 0.041 + 2305SOL OW 8486 6.087 0.221 4.926 + 2305SOL HW1 8487 6.091 0.126 4.929 + 2305SOL HW2 8488 6.091 0.243 4.833 + 2306SOL OW 8489 1.220 5.906 4.183 + 2306SOL HW1 8490 1.280 5.831 4.179 + 2306SOL HW2 8491 1.250 5.957 4.259 + 2307SOL OW 8492 5.014 0.143 4.382 + 2307SOL HW1 8493 5.008 0.223 4.433 + 2307SOL HW2 8494 4.940 0.090 4.410 + 2308SOL OW 8495 1.790 5.907 5.345 + 2308SOL HW1 8496 1.759 5.930 5.258 + 2308SOL HW2 8497 1.719 5.856 5.384 + 2309SOL OW 8498 5.237 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9260 3.081 1.545 3.382 + 2563SOL HW1 9261 3.068 1.473 3.443 + 2563SOL HW2 9262 3.008 1.538 3.320 + 2564SOL OW 9263 2.161 0.956 2.127 + 2564SOL HW1 9264 2.245 0.978 2.085 + 2564SOL HW2 9265 2.141 0.868 2.094 + 2565SOL OW 9266 3.346 0.768 2.574 + 2565SOL HW1 9267 3.347 0.724 2.660 + 2565SOL HW2 9268 3.426 0.821 2.574 + 2566SOL OW 9269 2.336 1.285 3.611 + 2566SOL HW1 9270 2.311 1.290 3.518 + 2566SOL HW2 9271 2.253 1.271 3.656 + 2567SOL OW 9272 3.006 1.776 2.090 + 2567SOL HW1 9273 2.923 1.748 2.128 + 2567SOL HW2 9274 3.025 1.711 2.022 + 2568SOL OW 9275 3.501 1.391 1.963 + 2568SOL HW1 9276 3.460 1.476 1.949 + 2568SOL HW2 9277 3.435 1.328 1.936 + 2569SOL OW 9278 2.321 1.743 2.177 + 2569SOL HW1 9279 2.370 1.793 2.242 + 2569SOL HW2 9280 2.388 1.702 2.122 + 2570SOL OW 9281 3.281 0.144 2.258 + 2570SOL HW1 9282 3.266 0.091 2.180 + 2570SOL HW2 9283 3.375 0.137 2.275 + 2571SOL OW 9284 2.112 1.791 3.074 + 2571SOL HW1 9285 2.159 1.714 3.106 + 2571SOL HW2 9286 2.088 1.769 2.984 + 2572SOL OW 9287 2.811 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2681SOL OW 9614 2.143 1.341 2.160 + 2681SOL HW1 9615 2.056 1.334 2.120 + 2681SOL HW2 9616 2.128 1.389 2.242 + 2682SOL OW 9617 1.982 1.046 3.598 + 2682SOL HW1 9618 1.905 1.019 3.647 + 2682SOL HW2 9619 2.054 0.996 3.637 + 2683SOL OW 9620 2.513 0.202 3.379 + 2683SOL HW1 9621 2.594 0.170 3.339 + 2683SOL HW2 9622 2.542 0.250 3.457 + 2684SOL OW 9623 1.954 0.325 1.880 + 2684SOL HW1 9624 1.861 0.319 1.860 + 2684SOL HW2 9625 1.983 0.404 1.835 + 2685SOL OW 9626 3.274 0.852 3.249 + 2685SOL HW1 9627 3.222 0.910 3.195 + 2685SOL HW2 9628 3.362 0.857 3.211 + 2686SOL OW 9629 1.903 0.145 2.166 + 2686SOL HW1 9630 1.904 0.215 2.102 + 2686SOL HW2 9631 1.984 0.097 2.150 + 2687SOL OW 9632 3.046 1.321 1.986 + 2687SOL HW1 9633 2.954 1.292 1.985 + 2687SOL HW2 9634 3.069 1.324 2.079 + 2688SOL OW 9635 2.484 0.831 3.309 + 2688SOL HW1 9636 2.541 0.908 3.298 + 2688SOL HW2 9637 2.545 0.757 3.307 + 2689SOL OW 9638 3.350 1.799 2.855 + 2689SOL HW1 9639 3.378 1.873 2.801 + 2689SOL HW2 9640 3.431 1.752 2.874 + 2690SOL OW 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+under the terms of the GNU Lesser General Public License +as published by the Free Software Foundation; either version 2.1 +of the License, or (at your option) any later version. + + Current GROMACS contributors: + Mark Abraham Andrey Alekseenko Cathrine Bergh + Christian Blau Eliane Briand Kevin Boyd + Oliver Fleetwood Stefan Fleischmann Vytas Gapsys + Gaurav Garg Gilles Gouaillardet Alan Gray + Victor Holanda M. Eric Irrgang Joe Jordan + Christoph Junghans Prashanth Kanduri Sebastian Kehl + Sebastian Keller Carsten Kutzner Magnus Lundborg + Pascal Merz Dmitry Morozov Szilard Pall + Roland Schulz Michael Shirts David van der Spoel + Alessandra Villa Sebastian Wingbermuehle Artem Zhmurov + + Previous GROMACS contributors: + Emile Apol Rossen Apostolov James Barnett + Herman J.C. Berendsen Par Bjelkmar Viacheslav Bolnykh + Aldert van Buuren Carlo Camilloni Rudi van Drunen + Anton Feenstra Gerrit Groenhof Bert de Groot + Anca Hamuraru Vincent Hindriksen Aleksei Iupinov + Dimitrios Karkoulis Peter Kasson Jiri Kraus + Per Larsson Justin A. Lemkul Viveca Lindahl + Erik Marklund Pieter Meulenhoff Vedran Miletic + Teemu Murtola Sander Pronk Alexey Shvetsov + Alfons Sijbers Peter Tieleman Jon Vincent + Teemu Virolainen Christian Wennberg Maarten Wolf + + Coordinated by the GROMACS project leaders: + Paul Bauer, Berk Hess, and Erik Lindahl + +GROMACS: gmx mdrun, version 2022.2-conda_forge +Executable: /home/gbayarri/anaconda3/envs/biobb_wf_md_setup/bin.AVX2_256/gmx +Data prefix: /home/gbayarri/anaconda3/envs/biobb_wf_md_setup +Working dir: /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python +Process ID: 16041 +Command line: + gmx -nobackup -nocopyright mdrun -o /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_359ae46b-9e23-4857-8cda-7156cd72d61c/min.trr -s /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_359ae46b-9e23-4857-8cda-7156cd72d61c/gppmin.tpr -c /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_359ae46b-9e23-4857-8cda-7156cd72d61c/min.gro -e /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_359ae46b-9e23-4857-8cda-7156cd72d61c/min.edr -g /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_359ae46b-9e23-4857-8cda-7156cd72d61c/min.log + +GROMACS version: 2022.2-conda_forge +Precision: mixed +Memory model: 64 bit +MPI library: thread_mpi +OpenMP support: enabled (GMX_OPENMP_MAX_THREADS = 128) +GPU support: OpenCL +SIMD instructions: AVX2_256 +CPU FFT library: fftw-3.3.10-sse2-avx +GPU FFT library: clFFT +RDTSCP usage: enabled +TNG support: enabled +Hwloc support: disabled +Tracing support: disabled +C compiler: /home/conda/feedstock_root/build_artifacts/gromacs_1657275263449/_build_env/bin/x86_64-conda-linux-gnu-cc GNU 10.3.0 +C compiler flags: -mavx2 -mfma -Wno-missing-field-initializers -fexcess-precision=fast -funroll-all-loops -O3 -DNDEBUG +C++ compiler: /home/conda/feedstock_root/build_artifacts/gromacs_1657275263449/_build_env/bin/x86_64-conda-linux-gnu-c++ GNU 10.3.0 +C++ compiler flags: -mavx2 -mfma -Wno-missing-field-initializers -fexcess-precision=fast -funroll-all-loops -fopenmp -O3 -DNDEBUG +OpenCL include dir: /home/gbayarri/anaconda3/envs/biobb_wf_md_setup/include +OpenCL library: /home/gbayarri/anaconda3/envs/biobb_wf_md_setup/lib/libOpenCL.so +OpenCL version: 2.2 + + +Running on 1 node with total 4 cores, 4 processing units (GPU detection failed) +Hardware detected: + CPU info: + Vendor: Intel + Brand: Intel(R) Core(TM) i5-6600 CPU @ 3.30GHz + Family: 6 Model: 94 Stepping: 3 + Features: aes apic avx avx2 clfsh cmov cx8 cx16 f16c fma htt intel lahf mmx msr nonstop_tsc pcid pclmuldq pdcm pdpe1gb popcnt pse rdrnd rdtscp sse2 sse3 sse4.1 sse4.2 ssse3 tdt x2apic + Hardware topology: Basic + Packages, cores, and logical processors: + [indices refer to OS logical processors] + Package 0: [ 0] [ 1] [ 2] [ 3] + CPU limit set by OS: -1 Recommended max number of threads: 4 + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +M. J. Abraham, T. Murtola, R. Schulz, S. Páll, J. C. Smith, B. Hess, E. +Lindahl +GROMACS: High performance molecular simulations through multi-level +parallelism from laptops to supercomputers +SoftwareX 1 (2015) pp. 19-25 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +S. Páll, M. J. Abraham, C. Kutzner, B. Hess, E. Lindahl +Tackling Exascale Software Challenges in Molecular Dynamics Simulations with +GROMACS +In S. Markidis & E. Laure (Eds.), Solving Software Challenges for Exascale 8759 (2015) pp. 3-27 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +S. Pronk, S. Páll, R. Schulz, P. Larsson, P. Bjelkmar, R. Apostolov, M. R. +Shirts, J. C. Smith, P. M. Kasson, D. van der Spoel, B. Hess, and E. Lindahl +GROMACS 4.5: a high-throughput and highly parallel open source molecular +simulation toolkit +Bioinformatics 29 (2013) pp. 845-54 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +B. Hess and C. Kutzner and D. van der Spoel and E. Lindahl +GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable +molecular simulation +J. Chem. Theory Comput. 4 (2008) pp. 435-447 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +D. van der Spoel, E. Lindahl, B. Hess, G. Groenhof, A. E. Mark and H. J. C. +Berendsen +GROMACS: Fast, Flexible and Free +J. Comp. Chem. 26 (2005) pp. 1701-1719 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +E. Lindahl and B. Hess and D. van der Spoel +GROMACS 3.0: A package for molecular simulation and trajectory analysis +J. Mol. Mod. 7 (2001) pp. 306-317 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +H. J. C. Berendsen, D. van der Spoel and R. van Drunen +GROMACS: A message-passing parallel molecular dynamics implementation +Comp. Phys. Comm. 91 (1995) pp. 43-56 +-------- -------- --- Thank You --- -------- -------- + +Input Parameters: + integrator = steep + tinit = 0 + dt = 0.001 + nsteps = 5000 + init-step = 0 + simulation-part = 1 + mts = false + comm-mode = Linear + nstcomm = 100 + bd-fric = 0 + ld-seed = -33564906 + emtol = 500 + emstep = 0.01 + niter = 20 + fcstep = 0 + nstcgsteep = 1000 + nbfgscorr = 10 + rtpi = 0.05 + nstxout = 0 + nstvout = 0 + nstfout = 0 + nstlog = 1000 + nstcalcenergy = 100 + nstenergy = 1000 + nstxout-compressed = 0 + compressed-x-precision = 1000 + cutoff-scheme = Verlet + nstlist = 10 + pbc = xyz + periodic-molecules = false + verlet-buffer-tolerance = 0.005 + rlist = 1.05 + coulombtype = PME + coulomb-modifier = Potential-shift + rcoulomb-switch = 0 + rcoulomb = 1 + epsilon-r = 1 + epsilon-rf = inf + vdw-type = Cut-off + vdw-modifier = Potential-shift + rvdw-switch = 0 + rvdw = 1 + DispCorr = No + table-extension = 1 + fourierspacing = 0.12 + fourier-nx = 56 + fourier-ny = 56 + fourier-nz = 56 + pme-order = 4 + ewald-rtol = 1e-05 + ewald-rtol-lj = 0.001 + lj-pme-comb-rule = Geometric + ewald-geometry = 3d + epsilon-surface = 0 + tcoupl = No + nsttcouple = -1 + nh-chain-length = 0 + print-nose-hoover-chain-variables = false + pcoupl = No + pcoupltype = Isotropic + nstpcouple = -1 + tau-p = 1 + compressibility (3x3): + compressibility[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} + compressibility[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} + compressibility[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} + ref-p (3x3): + ref-p[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} + ref-p[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} + ref-p[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} + refcoord-scaling = No + posres-com (3): + posres-com[0]= 0.00000e+00 + posres-com[1]= 0.00000e+00 + posres-com[2]= 0.00000e+00 + posres-comB (3): + posres-comB[0]= 0.00000e+00 + posres-comB[1]= 0.00000e+00 + posres-comB[2]= 0.00000e+00 + QMMM = false +qm-opts: + ngQM = 0 + constraint-algorithm = Lincs + continuation = false + Shake-SOR = false + shake-tol = 0.0001 + lincs-order = 4 + lincs-iter = 1 + lincs-warnangle = 30 + nwall = 0 + wall-type = 9-3 + wall-r-linpot = -1 + wall-atomtype[0] = -1 + wall-atomtype[1] = -1 + wall-density[0] = 0 + wall-density[1] = 0 + wall-ewald-zfac = 3 + pull = false + awh = false + rotation = false + interactiveMD = false + disre = No + disre-weighting = Conservative + disre-mixed = false + dr-fc = 1000 + dr-tau = 0 + nstdisreout = 100 + orire-fc = 0 + orire-tau = 0 + nstorireout = 100 + free-energy = no + cos-acceleration = 0 + deform (3x3): + deform[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} + deform[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} + deform[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} + simulated-tempering = false + swapcoords = no + userint1 = 0 + userint2 = 0 + userint3 = 0 + userint4 = 0 + userreal1 = 0 + userreal2 = 0 + userreal3 = 0 + userreal4 = 0 + applied-forces: + electric-field: + x: + E0 = 0 + omega = 0 + t0 = 0 + sigma = 0 + y: + E0 = 0 + omega = 0 + t0 = 0 + sigma = 0 + z: + E0 = 0 + omega = 0 + t0 = 0 + sigma = 0 + density-guided-simulation: + active = false + group = protein + similarity-measure = inner-product + atom-spreading-weight = unity + force-constant = 1e+09 + gaussian-transform-spreading-width = 0.2 + gaussian-transform-spreading-range-in-multiples-of-width = 4 + reference-density-filename = reference.mrc + nst = 1 + normalize-densities = true + adaptive-force-scaling = false + adaptive-force-scaling-time-constant = 4 + shift-vector = + transformation-matrix = + qmmm-cp2k: + active = false + qmgroup = System + qmmethod = PBE + qmfilenames = + qmcharge = 0 + qmmultiplicity = 1 +grpopts: + nrdf: 45441 + ref-t: 0 + tau-t: 0 +annealing: No +annealing-npoints: 0 + acc: 0 0 0 + nfreeze: N N N + energygrp-flags[ 0]: 0 + + +Initializing Domain Decomposition on 1 ranks +NOTE: disabling dynamic load balancing as it is only supported with dynamics, not with integrator 'steep'. +Dynamic load balancing: off +Using update groups, nr 8565, average size 2.5 atoms, max. radius 0.078 nm +Minimum cell size due to atom displacement: 0.050 nm +Initial maximum distances in bonded interactions: + two-body bonded interactions: 0.443 nm, LJ-14, atoms 1156 1405 + multi-body bonded interactions: 0.443 nm, Proper Dih., atoms 1156 1405 +Minimum cell size due to bonded interactions: 0.487 nm +Using 0 separate PME ranks because: there are too few total ranks for efficient splitting +Optimizing the DD grid for 1 cells with a minimum initial size of 0.487 nm +The maximum allowed number of cells is: X 11 Y 11 Z 11 +Domain decomposition grid 1 x 1 x 1, separate PME ranks 0 +PME domain decomposition: 1 x 1 x 1 + +The initial number of communication pulses is: +The initial domain decomposition cell size is: + +The maximum allowed distance for atom groups involved in interactions is: + non-bonded interactions 1.206 nm + two-body bonded interactions (-rdd) 1.206 nm + multi-body bonded interactions (-rdd) 1.206 nm + +Using 1 MPI thread +Using 4 OpenMP threads + +Pinning threads with an auto-selected logical cpu stride of 1 +System total charge: 0.000 +Will do PME sum in reciprocal space for electrostatic interactions. + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +U. Essmann, L. Perera, M. L. Berkowitz, T. Darden, H. Lee and L. G. Pedersen +A smooth particle mesh Ewald method +J. Chem. Phys. 103 (1995) pp. 8577-8592 +-------- -------- --- Thank You --- -------- -------- + +Using a Gaussian width (1/beta) of 0.320163 nm for Ewald +Potential shift: LJ r^-12: -1.000e+00 r^-6: -1.000e+00, Ewald -1.000e-05 +Initialized non-bonded Coulomb Ewald tables, spacing: 9.33e-04 size: 1073 + +Generated table with 1025 data points for 1-4 COUL. +Tabscale = 500 points/nm +Generated table with 1025 data points for 1-4 LJ6. +Tabscale = 500 points/nm +Generated table with 1025 data points for 1-4 LJ12. +Tabscale = 500 points/nm + + +Using SIMD 4x8 nonbonded short-range kernels + +Using a 4x8 pair-list setup: + updated every 10 steps, buffer 0.050 nm, rlist 1.050 nm + +Using Lorentz-Berthelot Lennard-Jones combination rule +Removing pbc first time + +Linking all bonded interactions to atoms + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +S. Miyamoto and P. A. Kollman +SETTLE: An Analytical Version of the SHAKE and RATTLE Algorithms for Rigid +Water Models +J. Comp. Chem. 13 (1992) pp. 952-962 +-------- -------- --- Thank You --- -------- -------- + + +Note that activating steepest-descent energy minimization via the integrator .mdp option and the command gmx mdrun may be available in a different form in a future version of GROMACS, e.g. gmx minimize and an .mdp option. +Initiating Steepest Descents + +Atom distribution over 1 domains: av 21731 stddev 0 min 21731 max 21731 +Started Steepest Descents on rank 0 Tue Jan 14 16:15:59 2025 + + +Steepest Descents: + Tolerance (Fmax) = 5.00000e+02 + Number of steps = 5000 + Step Time + 0 0.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 8.56770e+03 1.85194e+03 5.35138e+03 2.62598e+02 2.41697e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.75113e+04 1.40110e+05 -3.36993e+05 1.28075e+04 0.00000e+00 + Potential Pressure (bar) + -1.48114e+05 3.97435e+04 + + Step Time + 1 1.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 8.29735e+03 1.84490e+03 5.34883e+03 2.57646e+02 2.42039e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.74991e+04 1.24675e+05 -3.37211e+05 1.27824e+04 9.55850e-02 + Potential Pressure (bar) + -1.64086e+05 3.44869e+04 + + Step Time + 2 2.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 7.50274e+03 1.86201e+03 5.34742e+03 2.45422e+02 2.43205e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.74636e+04 1.03309e+05 -3.37809e+05 1.26998e+04 9.77277e-01 + Potential Pressure (bar) + -1.86946e+05 2.72159e+04 + + Step Time + 3 3.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 5.93865e+03 1.94761e+03 5.34909e+03 2.23725e+02 2.44923e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.74034e+04 8.59905e+04 -3.38774e+05 1.25260e+04 3.10682e+00 + Potential Pressure (bar) + -2.06943e+05 2.11539e+04 + + Step Time + 4 4.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.12602e+03 2.28657e+03 5.35927e+03 1.77503e+02 2.47837e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.72860e+04 6.96567e+04 -3.40800e+05 1.20506e+04 9.49643e+00 + Potential Pressure (bar) + -2.28369e+05 1.49045e+04 + + Step Time + 5 5.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.14982e+03 2.31171e+03 5.34789e+03 1.31585e+02 2.47732e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.71681e+04 5.81830e+04 -3.44750e+05 1.09221e+04 2.04707e+01 + Potential Pressure (bar) + -2.47038e+05 8.96530e+03 + + Step Time + 6 6.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.55311e+03 1.93384e+03 5.33313e+03 1.28467e+02 2.44655e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.70474e+04 5.54744e+04 -3.46380e+05 1.03445e+04 2.25680e+01 + Potential Pressure (bar) + -2.52096e+05 7.59450e+03 + + Step Time + 7 7.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 2.67344e+03 2.41670e+03 5.31523e+03 1.14690e+02 2.38243e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.71238e+04 5.38003e+04 -3.48460e+05 9.80857e+03 2.57544e+01 + Potential Pressure (bar) + -2.54799e+05 6.01631e+03 + + Step Time + 8 8.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 2.03927e+03 1.90956e+03 5.32727e+03 1.22138e+02 2.40243e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.69323e+04 5.23205e+04 -3.49085e+05 9.46758e+03 2.84334e+01 + Potential Pressure (bar) + -2.58536e+05 5.65563e+03 + + Step Time + 9 9.00000 + + Step Time + 10 10.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 7.77397e+02 1.76157e+03 5.30839e+03 1.15995e+02 2.36627e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.69990e+04 5.17917e+04 -3.49882e+05 9.29483e+03 2.71606e+01 + Potential Pressure (bar) + -2.61440e+05 5.24371e+03 + + Step Time + 11 11.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.81607e+03 2.04285e+03 5.30626e+03 1.17905e+02 2.36300e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.68478e+04 5.01103e+04 -3.51514e+05 8.69842e+03 3.38157e+01 + Potential Pressure (bar) + -2.62178e+05 4.25843e+03 + + Step Time + 12 12.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.81899e+03 1.91595e+03 5.29075e+03 1.10879e+02 2.32381e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.69481e+04 4.97349e+04 -3.52303e+05 8.58064e+03 3.18001e+01 + Potential Pressure (bar) + -2.65547e+05 3.91428e+03 + + Step Time + 13 13.00000 + + Step Time + 14 14.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 6.75931e+02 1.51402e+03 5.28884e+03 1.11992e+02 2.32557e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.68773e+04 4.92772e+04 -3.52676e+05 8.40401e+03 3.24085e+01 + Potential Pressure (bar) + -2.68168e+05 3.86123e+03 + + Step Time + 15 15.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.82265e+03 1.74009e+03 5.27616e+03 1.07113e+02 2.30219e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.68886e+04 4.83555e+04 -3.54023e+05 8.06269e+03 3.50366e+01 + Potential Pressure (bar) + -2.69433e+05 3.18171e+03 + + Step Time + 16 16.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 9.45449e+02 1.47530e+03 5.27503e+03 1.09175e+02 2.29906e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.68266e+04 4.79603e+04 -3.54423e+05 7.89686e+03 3.59620e+01 + Potential Pressure (bar) + -2.71599e+05 3.10149e+03 + + Step Time + 17 17.00000 + + Step Time + 18 18.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 5.63658e+02 1.46196e+03 5.26977e+03 1.06553e+02 2.29090e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.68386e+04 4.76650e+04 -3.54882e+05 7.79292e+03 3.61486e+01 + Potential Pressure (bar) + -2.72856e+05 2.92915e+03 + + Step Time + 19 19.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.19852e+03 1.45337e+03 5.26467e+03 1.06929e+02 2.27954e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.67963e+04 4.70743e+04 -3.55709e+05 7.54456e+03 3.86367e+01 + Potential Pressure (bar) + -2.73952e+05 2.59145e+03 + + Step Time + 20 20.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 7.51733e+02 1.44359e+03 5.25993e+03 1.04236e+02 2.27313e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.68100e+04 4.67982e+04 -3.56148e+05 7.45575e+03 3.87683e+01 + Potential Pressure (bar) + -2.75212e+05 2.43522e+03 + + Step Time + 21 21.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.72983e+03 1.47224e+03 5.25617e+03 1.05898e+02 2.26274e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.67704e+04 4.63449e+04 -3.56831e+05 7.25160e+03 4.13105e+01 + Potential Pressure (bar) + -2.75596e+05 2.15421e+03 + + Step Time + 22 22.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.21120e+03 1.46468e+03 5.25168e+03 1.02759e+02 2.25833e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.67882e+04 4.60811e+04 -3.57249e+05 7.17953e+03 4.13378e+01 + Potential Pressure (bar) + -2.76871e+05 2.01208e+03 + + Step Time + 23 23.00000 + + Step Time + 24 24.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 5.15652e+02 1.35127e+03 5.25006e+03 1.03475e+02 2.25143e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.67674e+04 4.58921e+04 -3.57547e+05 7.08340e+03 4.17040e+01 + Potential Pressure (bar) + -2.78290e+05 1.96063e+03 + + Step Time + 25 25.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.66250e+03 1.45903e+03 5.24248e+03 1.00281e+02 2.24117e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.67612e+04 4.52687e+04 -3.58548e+05 6.85933e+03 4.44927e+01 + Potential Pressure (bar) + -2.78909e+05 1.54232e+03 + + Step Time + 26 26.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 7.94438e+02 1.34075e+03 5.24092e+03 1.01658e+02 2.23189e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.67386e+04 4.50903e+04 -3.58869e+05 6.75837e+03 4.48562e+01 + Potential Pressure (bar) + -2.80527e+05 1.48936e+03 + + Step Time + 27 27.00000 + + Step Time + 28 28.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 5.66845e+02 1.32134e+03 5.23822e+03 9.98719e+01 2.22933e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.67416e+04 4.48864e+04 -3.59193e+05 6.69614e+03 4.52546e+01 + Potential Pressure (bar) + -2.81368e+05 1.39271e+03 + + Step Time + 29 29.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.12163e+03 1.34657e+03 5.23489e+03 1.00418e+02 2.21900e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.67210e+04 4.45752e+04 -3.59760e+05 6.55139e+03 4.71237e+01 + Potential Pressure (bar) + -2.81843e+05 1.18191e+03 + + Step Time + 30 30.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 8.21519e+02 1.32707e+03 5.23224e+03 9.83602e+01 2.21740e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.67278e+04 4.43754e+04 -3.60077e+05 6.50093e+03 4.74223e+01 + Potential Pressure (bar) + -2.82729e+05 1.08792e+03 + + Step Time + 31 31.00000 + + Step Time + 32 32.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.50894e+02 1.27357e+03 5.23081e+03 9.87258e+01 2.21144e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.67164e+04 4.42449e+04 -3.60326e+05 6.43247e+03 4.78522e+01 + Potential Pressure (bar) + -2.83619e+05 1.03491e+03 + + Step Time + 33 33.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.07688e+03 1.32433e+03 5.22562e+03 9.64321e+01 2.20358e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.67118e+04 4.38055e+04 -3.61094e+05 6.28094e+03 5.00130e+01 + Potential Pressure (bar) + -2.84319e+05 7.50892e+02 + + Step Time + 34 34.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 6.21237e+02 1.26415e+03 5.22421e+03 9.72135e+01 2.19618e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66978e+04 4.36762e+04 -3.61365e+05 6.20629e+03 5.04945e+01 + Potential Pressure (bar) + -2.85331e+05 6.95609e+02 + + Step Time + 35 35.00000 + + Step Time + 36 36.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.64601e+02 1.24795e+03 5.22232e+03 9.60166e+01 2.19413e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66995e+04 4.35250e+04 -3.61623e+05 6.16253e+03 5.09144e+01 + Potential Pressure (bar) + -2.85960e+05 6.22717e+02 + + Step Time + 37 37.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 8.20933e+02 1.26443e+03 5.21951e+03 9.61914e+01 2.18528e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66853e+04 4.32783e+04 -3.62118e+05 6.04991e+03 5.25107e+01 + Potential Pressure (bar) + -2.86465e+05 4.54813e+02 + + Step Time + 38 38.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 6.04479e+02 1.24606e+03 5.21761e+03 9.47706e+01 2.18385e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66896e+04 4.31266e+04 -3.62374e+05 6.01361e+03 5.28607e+01 + Potential Pressure (bar) + -2.87145e+05 3.82972e+02 + + Step Time + 39 39.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.21182e+03 1.28727e+03 5.21534e+03 9.56116e+01 2.17524e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66738e+04 4.29263e+04 -3.62806e+05 5.91204e+03 5.45564e+01 + Potential Pressure (bar) + -2.87254e+05 2.27253e+02 + + Step Time + 40 40.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 9.43030e+02 1.26782e+03 5.21340e+03 9.37848e+01 2.17479e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66818e+04 4.27721e+04 -3.63058e+05 5.88541e+03 5.48216e+01 + Potential Pressure (bar) + -2.87971e+05 1.57301e+02 + + Step Time + 41 41.00000 + + Step Time + 42 42.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.29222e+02 1.20589e+03 5.21238e+03 9.42824e+01 2.16932e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66720e+04 4.26858e+04 -3.63253e+05 5.83269e+03 5.50700e+01 + Potential Pressure (bar) + -2.88896e+05 1.34132e+02 + + Step Time + 43 43.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.29507e+03 1.27960e+03 5.20826e+03 9.22732e+01 2.16308e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66710e+04 4.23351e+04 -3.63925e+05 5.72247e+03 5.73716e+01 + Potential Pressure (bar) + -2.89101e+05 -1.17530e+02 + + Step Time + 44 44.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 6.06253e+02 1.20431e+03 5.20727e+03 9.31670e+01 2.15613e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66584e+04 4.22512e+04 -3.64138e+05 5.66349e+03 5.76003e+01 + Potential Pressure (bar) + -2.90240e+05 -1.39468e+02 + + Step Time + 45 45.00000 + + Step Time + 46 46.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.96763e+02 1.19129e+03 5.20572e+03 9.20539e+01 2.15465e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66611e+04 4.21282e+04 -3.64362e+05 5.63324e+03 5.80399e+01 + Potential Pressure (bar) + -2.90741e+05 -1.99320e+02 + + Step Time + 47 47.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 7.74694e+02 1.20781e+03 5.20398e+03 9.24711e+01 2.14777e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66500e+04 4.19790e+04 -3.64708e+05 5.55870e+03 5.93044e+01 + Potential Pressure (bar) + -2.91034e+05 -3.11996e+02 + + Step Time + 48 48.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 7.00307e+02 1.20088e+03 5.20237e+03 9.11270e+01 2.14682e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66551e+04 4.18511e+04 -3.64938e+05 5.53389e+03 5.97621e+01 + Potential Pressure (bar) + -2.91497e+05 -3.79069e+02 + + Step Time + 49 49.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.10226e+03 1.23005e+03 5.20095e+03 9.20826e+01 2.13976e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66418e+04 4.17295e+04 -3.65247e+05 5.46256e+03 6.10737e+01 + Potential Pressure (bar) + -2.91587e+05 -4.82299e+02 + + Step Time + 50 50.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.13793e+03 1.23670e+03 5.19929e+03 9.03642e+01 2.13984e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66503e+04 4.15972e+04 -3.65476e+05 5.44621e+03 6.15745e+01 + Potential Pressure (bar) + -2.91916e+05 -5.57322e+02 + + Step Time + 51 51.00000 + + Step Time + 52 52.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.67682e+02 1.15370e+03 5.19858e+03 9.08898e+01 2.13494e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66416e+04 4.15429e+04 -3.65618e+05 5.40573e+03 6.15365e+01 + Potential Pressure (bar) + -2.93021e+05 -5.49659e+02 + + Step Time + 53 53.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.53307e+03 1.24228e+03 5.19312e+03 8.84287e+01 2.12397e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66367e+04 4.10792e+04 -3.66608e+05 5.25150e+03 6.52910e+01 + Potential Pressure (bar) + -2.93394e+05 -8.93905e+02 + + Step Time + 54 54.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.68400e+02 1.14101e+03 5.19247e+03 8.92127e+01 2.11765e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66258e+04 4.10302e+04 -3.66763e+05 5.20725e+03 6.51264e+01 + Potential Pressure (bar) + -2.94826e+05 -8.82476e+02 + + Step Time + 55 55.00000 + + Step Time + 56 56.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 5.90971e+02 1.14839e+03 5.19088e+03 8.82357e+01 2.11579e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66280e+04 4.09083e+04 -3.67013e+05 5.17763e+03 6.58965e+01 + Potential Pressure (bar) + -2.95098e+05 -9.56317e+02 + + Step Time + 57 57.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 5.97227e+02 1.14546e+03 5.18993e+03 8.87452e+01 2.11065e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66192e+04 4.08319e+04 -3.67225e+05 5.13169e+03 6.66577e+01 + Potential Pressure (bar) + -2.95444e+05 -1.01280e+03 + + Step Time + 58 58.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 8.43124e+02 1.16593e+03 5.18841e+03 8.75761e+01 2.10963e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66239e+04 4.07141e+04 -3.67461e+05 5.11007e+03 6.74586e+01 + Potential Pressure (bar) + -2.95551e+05 -1.09313e+03 + + Step Time + 59 59.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 8.69536e+02 1.16578e+03 5.18756e+03 8.85065e+01 2.10374e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66125e+04 4.06463e+04 -3.67672e+05 5.05993e+03 6.82817e+01 + Potential Pressure (bar) + -2.95870e+05 -1.14680e+03 + + Step Time + 60 60.00000 + + Step Time + 61 61.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.51201e+02 1.11270e+03 5.18671e+03 8.75975e+01 2.10323e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66164e+04 4.05852e+04 -3.67782e+05 5.05155e+03 6.81801e+01 + Potential Pressure (bar) + -2.96619e+05 -1.15005e+03 + + Step Time + 62 62.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.09244e+03 1.16869e+03 5.18347e+03 8.76045e+01 2.09217e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66021e+04 4.03281e+04 -3.68445e+05 4.93656e+03 7.10231e+01 + Potential Pressure (bar) + -2.96883e+05 -1.36283e+03 + + Step Time + 63 63.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.59472e+02 1.10987e+03 5.18252e+03 8.64674e+01 2.09174e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66081e+04 4.02599e+04 -3.68569e+05 4.93202e+03 7.08556e+01 + Potential Pressure (bar) + -2.97768e+05 -1.37085e+03 + + Step Time + 64 64.00000 + + Step Time + 65 65.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.57901e+02 1.10614e+03 5.18165e+03 8.67396e+01 2.08776e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66015e+04 4.01968e+04 -3.68750e+05 4.89580e+03 7.15312e+01 + Potential Pressure (bar) + -2.98064e+05 -1.41295e+03 + + Step Time + 66 66.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 5.93229e+02 1.11595e+03 5.18037e+03 8.58159e+01 2.08611e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66041e+04 4.01008e+04 -3.68965e+05 4.87471e+03 7.22781e+01 + Potential Pressure (bar) + -2.98252e+05 -1.48127e+03 + + Step Time + 67 67.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 5.93633e+02 1.11373e+03 5.17959e+03 8.63730e+01 2.08155e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65958e+04 4.00445e+04 -3.69145e+05 4.83602e+03 7.29874e+01 + Potential Pressure (bar) + -2.98541e+05 -1.52364e+03 + + Step Time + 68 68.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 8.60803e+02 1.13598e+03 5.17832e+03 8.52413e+01 2.08084e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.66007e+04 3.99500e+04 -3.69348e+05 4.82181e+03 7.37691e+01 + Potential Pressure (bar) + -2.98560e+05 -1.59508e+03 + + Step Time + 69 69.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 8.81487e+02 1.13803e+03 5.17765e+03 8.62305e+01 2.07545e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65899e+04 3.99015e+04 -3.69528e+05 4.77889e+03 7.45427e+01 + Potential Pressure (bar) + -2.98824e+05 -1.63757e+03 + + Step Time + 70 70.00000 + + Step Time + 71 71.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.42863e+02 1.08205e+03 5.17689e+03 8.53305e+01 2.07508e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65938e+04 3.98507e+04 -3.69622e+05 4.77357e+03 7.44101e+01 + Potential Pressure (bar) + -2.99567e+05 -1.63432e+03 + + Step Time + 72 72.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.13001e+03 1.14628e+03 5.17426e+03 8.55095e+01 2.06533e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65808e+04 3.96558e+04 -3.70189e+05 4.68010e+03 7.71464e+01 + Potential Pressure (bar) + -2.99594e+05 -1.81749e+03 + + Step Time + 73 73.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.61324e+02 1.08277e+03 5.17339e+03 8.43605e+01 2.06507e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65869e+04 3.95981e+04 -3.70296e+05 4.67850e+03 7.69352e+01 + Potential Pressure (bar) + -3.00488e+05 -1.81763e+03 + + Step Time + 74 74.00000 + + Step Time + 75 75.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.57351e+02 1.08071e+03 5.17268e+03 8.46958e+01 2.06143e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65805e+04 3.95505e+04 -3.70452e+05 4.64758e+03 7.75762e+01 + Potential Pressure (bar) + -3.00739e+05 -1.85138e+03 + + Step Time + 76 76.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 6.06973e+02 1.09111e+03 5.17157e+03 8.37926e+01 2.06015e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65835e+04 3.94728e+04 -3.70638e+05 4.63216e+03 7.82976e+01 + Potential Pressure (bar) + -3.00858e+05 -1.91065e+03 + + Step Time + 77 77.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 6.05973e+02 1.09129e+03 5.17095e+03 8.44273e+01 2.05591e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65754e+04 3.94313e+04 -3.70795e+05 4.59861e+03 7.89752e+01 + Potential Pressure (bar) + -3.01102e+05 -1.94539e+03 + + Step Time + 78 78.00000 + + Step Time + 79 79.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27811e+02 1.06146e+03 5.17032e+03 8.37817e+01 2.05539e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65779e+04 3.93906e+04 -3.70882e+05 4.59257e+03 7.90519e+01 + Potential Pressure (bar) + -3.01543e+05 -1.95361e+03 + + Step Time + 80 80.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 7.26812e+02 1.09363e+03 5.16808e+03 8.37844e+01 2.04707e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65677e+04 3.92369e+04 -3.71359e+05 4.51862e+03 8.12640e+01 + Potential Pressure (bar) + -3.01835e+05 -2.09076e+03 + + Step Time + 81 81.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.94485e+02 1.05929e+03 5.16735e+03 8.29545e+01 2.04666e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65716e+04 3.91902e+04 -3.71458e+05 4.51442e+03 8.13305e+01 + Potential Pressure (bar) + -3.02350e+05 -2.10214e+03 + + Step Time + 82 82.00000 + + Step Time + 83 83.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.79307e+02 1.05748e+03 5.16672e+03 8.31728e+01 2.04366e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65668e+04 3.91513e+04 -3.71593e+05 4.49008e+03 8.18984e+01 + Potential Pressure (bar) + -3.02573e+05 -2.13116e+03 + + Step Time + 84 84.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.75796e+02 1.06226e+03 5.16570e+03 8.24759e+01 2.04200e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65682e+04 3.90842e+04 -3.71772e+05 4.47318e+03 8.26218e+01 + Potential Pressure (bar) + -3.02735e+05 -2.18234e+03 + + Step Time + 85 85.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.52419e+02 1.06110e+03 5.16513e+03 8.28947e+01 2.03857e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65622e+04 3.90494e+04 -3.71907e+05 4.44694e+03 8.32109e+01 + Potential Pressure (bar) + -3.02965e+05 -2.21122e+03 + + Step Time + 86 86.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 6.36870e+02 1.07315e+03 5.16411e+03 8.20362e+01 2.03759e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65653e+04 3.89835e+04 -3.72075e+05 4.43468e+03 8.39458e+01 + Potential Pressure (bar) + -3.03014e+05 -2.26414e+03 + + Step Time + 87 87.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 6.10865e+02 1.07396e+03 5.16362e+03 8.27522e+01 2.03357e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65574e+04 3.89537e+04 -3.72212e+05 4.40541e+03 8.45723e+01 + Potential Pressure (bar) + -3.03246e+05 -2.29244e+03 + + Step Time + 88 88.00000 + + Step Time + 89 89.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25143e+02 1.04229e+03 5.16303e+03 8.21074e+01 2.03318e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65600e+04 3.89186e+04 -3.72290e+05 4.40071e+03 8.46363e+01 + Potential Pressure (bar) + -3.03680e+05 -2.29670e+03 + + Step Time + 90 90.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 7.48364e+02 1.07978e+03 5.16122e+03 8.23038e+01 2.02602e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65506e+04 3.88057e+04 -3.72686e+05 4.34085e+03 8.66786e+01 + Potential Pressure (bar) + -3.03804e+05 -2.41132e+03 + + Step Time + 91 91.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.01191e+02 1.04275e+03 5.16052e+03 8.14472e+01 2.02576e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65546e+04 3.87650e+04 -3.72775e+05 4.33811e+03 8.67252e+01 + Potential Pressure (bar) + -3.04319e+05 -2.41855e+03 + + Step Time + 92 92.00000 + + Step Time + 93 93.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.76603e+02 1.04143e+03 5.15999e+03 8.17199e+01 2.02298e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65500e+04 3.87354e+04 -3.72894e+05 4.31684e+03 8.72594e+01 + Potential Pressure (bar) + -3.04522e+05 -2.44196e+03 + + Step Time + 94 94.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.92486e+02 1.04728e+03 5.15904e+03 8.10204e+01 2.02156e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65516e+04 3.86785e+04 -3.73056e+05 4.30276e+03 8.79860e+01 + Potential Pressure (bar) + -3.04634e+05 -2.48879e+03 + + Step Time + 95 95.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.57199e+02 1.04682e+03 5.15856e+03 8.15053e+01 2.01834e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65456e+04 3.86526e+04 -3.73176e+05 4.27945e+03 8.85437e+01 + Potential Pressure (bar) + -3.04848e+05 -2.51238e+03 + + Step Time + 96 96.00000 + + Step Time + 97 97.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.16418e+02 1.02979e+03 5.15804e+03 8.10212e+01 2.01779e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65472e+04 3.86233e+04 -3.73252e+05 4.27382e+03 8.87352e+01 + Potential Pressure (bar) + -3.05115e+05 -2.52319e+03 + + Step Time + 98 98.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 5.25367e+02 1.04881e+03 5.15654e+03 8.11155e+01 2.01200e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65400e+04 3.85384e+04 -3.73570e+05 4.22778e+03 9.03493e+01 + Potential Pressure (bar) + -3.05350e+05 -2.60669e+03 + + Step Time + 99 99.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.61957e+02 1.02884e+03 5.15592e+03 8.04734e+01 2.01154e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65425e+04 3.85044e+04 -3.73657e+05 4.22293e+03 9.05614e+01 + Potential Pressure (bar) + -3.05658e+05 -2.62030e+03 + + Step Time + 100 100.00000 + + Step Time + 101 101.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.34203e+02 1.02745e+03 5.15545e+03 8.06598e+01 2.00926e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65389e+04 3.84802e+04 -3.73759e+05 4.20605e+03 9.10327e+01 + Potential Pressure (bar) + -3.05835e+05 -2.64030e+03 + + Step Time + 102 102.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.15655e+02 1.03034e+03 5.15449e+03 8.00947e+01 2.00744e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65393e+04 3.84278e+04 -3.73925e+05 4.18973e+03 9.18080e+01 + Potential Pressure (bar) + -3.05988e+05 -2.68405e+03 + + Step Time + 103 103.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.72511e+02 1.02894e+03 5.15405e+03 8.04273e+01 2.00482e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65348e+04 3.84060e+04 -3.74029e+05 4.17128e+03 9.22974e+01 + Potential Pressure (bar) + -3.06184e+05 -2.70378e+03 + + Step Time + 104 104.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 5.19536e+02 1.03667e+03 5.15312e+03 7.97390e+01 2.00359e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65365e+04 3.83558e+04 -3.74182e+05 4.15883e+03 9.30539e+01 + Potential Pressure (bar) + -3.06245e+05 -2.74758e+03 + + Step Time + 105 105.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.59064e+02 1.03575e+03 5.15272e+03 8.02884e+01 2.00051e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65307e+04 3.83371e+04 -3.74288e+05 4.13808e+03 9.35678e+01 + Potential Pressure (bar) + -3.06460e+05 -2.76646e+03 + + Step Time + 106 106.00000 + + Step Time + 107 107.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.16601e+02 1.01780e+03 5.15221e+03 7.97947e+01 2.00007e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65323e+04 3.83111e+04 -3.74359e+05 4.13321e+03 9.37573e+01 + Potential Pressure (bar) + -3.06722e+05 -2.77503e+03 + + Step Time + 108 108.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 5.36475e+02 1.03980e+03 5.15096e+03 8.00093e+01 1.99506e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65257e+04 3.82488e+04 -3.74625e+05 4.09519e+03 9.52302e+01 + Potential Pressure (bar) + -3.06858e+05 -2.84497e+03 + + Step Time + 109 109.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.69923e+02 1.01852e+03 5.15034e+03 7.93421e+01 1.99471e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65283e+04 3.82184e+04 -3.74706e+05 4.09124e+03 9.54363e+01 + Potential Pressure (bar) + -3.07160e+05 -2.85624e+03 + + Step Time + 110 110.00000 + + Step Time + 111 111.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.31036e+02 1.01704e+03 5.14992e+03 7.95680e+01 1.99259e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65248e+04 3.82000e+04 -3.74796e+05 4.07624e+03 9.58758e+01 + Potential Pressure (bar) + -3.07329e+05 -2.87231e+03 + + Step Time + 112 112.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.31561e+02 1.02114e+03 5.14898e+03 7.89946e+01 1.99092e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65253e+04 3.81539e+04 -3.74954e+05 4.06145e+03 9.66759e+01 + Potential Pressure (bar) + -3.07445e+05 -2.91398e+03 + + Step Time + 113 113.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.73175e+02 1.01957e+03 5.14859e+03 7.93765e+01 1.98844e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65209e+04 3.81376e+04 -3.75048e+05 4.04483e+03 9.71345e+01 + Potential Pressure (bar) + -3.07638e+05 -2.92987e+03 + + Step Time + 114 114.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 5.49836e+02 1.02913e+03 5.14767e+03 7.86682e+01 1.98741e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65227e+04 3.80937e+04 -3.75192e+05 4.03400e+03 9.79097e+01 + Potential Pressure (bar) + -3.07650e+05 -2.97179e+03 + + Step Time + 115 115.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.69339e+02 1.02809e+03 5.14732e+03 7.92868e+01 1.98444e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65170e+04 3.80803e+04 -3.75288e+05 4.01510e+03 9.83928e+01 + Potential Pressure (bar) + -3.07869e+05 -2.98680e+03 + + Step Time + 116 116.00000 + + Step Time + 117 117.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.17347e+02 1.00842e+03 5.14681e+03 7.87649e+01 1.98409e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65186e+04 3.80571e+04 -3.75353e+05 4.01088e+03 9.85707e+01 + Potential Pressure (bar) + -3.08132e+05 -2.99305e+03 + + Step Time + 118 118.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 5.58334e+02 1.03399e+03 5.14570e+03 7.90656e+01 1.97956e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65123e+04 3.80094e+04 -3.75589e+05 3.97779e+03 9.99844e+01 + Potential Pressure (bar) + -3.08193e+05 -3.05560e+03 + + Step Time + 119 119.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.78956e+02 1.01045e+03 5.14508e+03 7.83565e+01 1.97933e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65150e+04 3.79820e+04 -3.75664e+05 3.97458e+03 1.00173e+02 + Potential Pressure (bar) + -3.08500e+05 -3.06422e+03 + + Step Time + 120 120.00000 + + Step Time + 121 121.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30856e+02 1.00901e+03 5.14470e+03 7.86215e+01 1.97732e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65116e+04 3.79679e+04 -3.75746e+05 3.96098e+03 1.00592e+02 + Potential Pressure (bar) + -3.08665e+05 -3.07735e+03 + + Step Time + 122 122.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.49476e+02 1.01416e+03 5.14378e+03 7.80307e+01 1.97585e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65123e+04 3.79280e+04 -3.75895e+05 3.94784e+03 1.01397e+02 + Potential Pressure (bar) + -3.08744e+05 -3.11659e+03 + + Step Time + 123 123.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.78732e+02 1.01269e+03 5.14342e+03 7.84658e+01 1.97346e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65079e+04 3.79160e+04 -3.75980e+05 3.93256e+03 1.01835e+02 + Potential Pressure (bar) + -3.08935e+05 -3.12959e+03 + + Step Time + 124 124.00000 + + Step Time + 125 125.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.11382e+02 1.00211e+03 5.14294e+03 7.80644e+01 1.97294e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65089e+04 3.78960e+04 -3.76047e+05 3.92737e+03 1.02103e+02 + Potential Pressure (bar) + -3.09105e+05 -3.14022e+03 + + Step Time + 126 126.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.23162e+02 1.01534e+03 5.14201e+03 7.82629e+01 1.96936e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65040e+04 3.78608e+04 -3.76234e+05 3.90204e+03 1.03198e+02 + Potential Pressure (bar) + -3.09236e+05 -3.18468e+03 + + Step Time + 127 127.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.50437e+02 1.00280e+03 5.14143e+03 7.77227e+01 1.96892e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65057e+04 3.78375e+04 -3.76309e+05 3.89725e+03 1.03498e+02 + Potential Pressure (bar) + -3.09424e+05 -3.19766e+03 + + Step Time + 128 128.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 5.09987e+02 1.02307e+03 5.14081e+03 7.81643e+01 1.96584e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65006e+04 3.78158e+04 -3.76450e+05 3.87633e+03 1.04407e+02 + Potential Pressure (bar) + -3.09435e+05 -3.23371e+03 + + Step Time + 129 129.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.44010e+02 1.00873e+03 5.14014e+03 7.74223e+01 1.96564e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65033e+04 3.77888e+04 -3.76532e+05 3.87267e+03 1.04732e+02 + Potential Pressure (bar) + -3.09627e+05 -3.24868e+03 + + Step Time + 130 130.00000 + + Step Time + 131 131.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.08435e+02 1.00006e+03 5.13987e+03 7.77344e+01 1.96388e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.65001e+04 3.77810e+04 -3.76593e+05 3.86164e+03 1.04996e+02 + Potential Pressure (bar) + -3.09855e+05 -3.25234e+03 + + Step Time + 132 132.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 5.44417e+02 1.01456e+03 5.13846e+03 7.70371e+01 1.96126e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64997e+04 3.77282e+04 -3.76823e+05 3.83955e+03 1.06366e+02 + Potential Pressure (bar) + -3.09913e+05 -3.31267e+03 + + Step Time + 133 133.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.44557e+02 1.00249e+03 5.13821e+03 7.75213e+01 1.95904e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64955e+04 3.77221e+04 -3.76889e+05 3.82668e+03 1.06632e+02 + Potential Pressure (bar) + -3.10216e+05 -3.31513e+03 + + Step Time + 134 134.00000 + + Step Time + 135 135.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.40208e+02 9.97018e+02 5.13761e+03 7.70914e+01 1.95832e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64962e+04 3.77004e+04 -3.76973e+05 3.81977e+03 1.07057e+02 + Potential Pressure (bar) + -3.10339e+05 -3.33156e+03 + + Step Time + 136 136.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.85211e+02 1.00572e+03 5.13711e+03 7.74031e+01 1.95594e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64925e+04 3.76853e+04 -3.77081e+05 3.80416e+03 1.07719e+02 + Potential Pressure (bar) + -3.10430e+05 -3.35553e+03 + + Step Time + 137 137.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.01924e+02 1.00042e+03 5.13644e+03 7.68306e+01 1.95541e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64940e+04 3.76614e+04 -3.77170e+05 3.79817e+03 1.08173e+02 + Potential Pressure (bar) + -3.10537e+05 -3.37466e+03 + + Step Time + 138 138.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.68123e+02 1.01364e+03 5.13604e+03 7.73537e+01 1.95286e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64893e+04 3.76508e+04 -3.77270e+05 3.78222e+03 1.08828e+02 + Potential Pressure (bar) + -3.10591e+05 -3.39716e+03 + + Step Time + 139 139.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 5.32393e+02 1.01008e+03 5.13531e+03 7.65723e+01 1.95269e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64920e+04 3.76242e+04 -3.77361e+05 3.77804e+03 1.09312e+02 + Potential Pressure (bar) + -3.10651e+05 -3.41960e+03 + + Step Time + 140 140.00000 + + Step Time + 141 141.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 2.95537e+02 9.92767e+02 5.13510e+03 7.69186e+01 1.95104e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64889e+04 3.76200e+04 -3.77409e+05 3.76844e+03 1.09447e+02 + Potential Pressure (bar) + -3.10970e+05 -3.41510e+03 + + Step Time + 142 142.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 6.74612e+02 1.01716e+03 5.13204e+03 7.58906e+01 1.94408e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64845e+04 3.75226e+04 -3.77926e+05 3.71387e+03 1.12657e+02 + Potential Pressure (bar) + -3.11248e+05 -3.53604e+03 + + Step Time + 143 143.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.16396e+02 9.92216e+02 5.13184e+03 7.63993e+01 1.94192e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64805e+04 3.75207e+04 -3.77979e+05 3.70298e+03 1.12748e+02 + Potential Pressure (bar) + -3.11703e+05 -3.52931e+03 + + Step Time + 144 144.00000 + + Step Time + 145 145.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.90387e+02 9.93270e+02 5.13102e+03 7.59494e+01 1.94079e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64808e+04 3.74962e+04 -3.78097e+05 3.69295e+03 1.13445e+02 + Potential Pressure (bar) + -3.11782e+05 -3.55454e+03 + + Step Time + 146 146.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.48126e+02 9.95100e+02 5.13073e+03 7.63101e+01 1.93892e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64775e+04 3.74902e+04 -3.78168e+05 3.68184e+03 1.13867e+02 + Potential Pressure (bar) + -3.11916e+05 -3.56560e+03 + + Step Time + 147 147.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.79000e+02 9.99324e+02 5.12994e+03 7.57270e+01 1.93819e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64787e+04 3.74662e+04 -3.78278e+05 3.67406e+03 1.14549e+02 + Potential Pressure (bar) + -3.11922e+05 -3.59320e+03 + + Step Time + 148 148.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.20976e+02 1.00255e+03 5.12968e+03 7.63008e+01 1.93599e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64744e+04 3.74626e+04 -3.78352e+05 3.66148e+03 1.14991e+02 + Potential Pressure (bar) + -3.12073e+05 -3.60333e+03 + + Step Time + 149 149.00000 + + Step Time + 150 150.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.06466e+02 9.85866e+02 5.12923e+03 7.58597e+01 1.93574e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64756e+04 3.74491e+04 -3.78402e+05 3.65821e+03 1.15174e+02 + Potential Pressure (bar) + -3.12271e+05 -3.60653e+03 + + Step Time + 151 151.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.89005e+02 1.00800e+03 5.12829e+03 7.61790e+01 1.93226e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64707e+04 3.74271e+04 -3.78593e+05 3.63467e+03 1.16470e+02 + Potential Pressure (bar) + -3.12310e+05 -3.65090e+03 + + Step Time + 152 152.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.53210e+02 9.87467e+02 5.12774e+03 7.55685e+01 1.93210e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64726e+04 3.74107e+04 -3.78652e+05 3.63190e+03 1.16669e+02 + Potential Pressure (bar) + -3.12544e+05 -3.65585e+03 + + Step Time + 153 153.00000 + + Step Time + 154 154.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.17969e+02 9.88418e+02 5.12745e+03 7.58282e+01 1.93059e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64701e+04 3.74053e+04 -3.78717e+05 3.62251e+03 1.17057e+02 + Potential Pressure (bar) + -3.12661e+05 -3.66470e+03 + + Step Time + 155 155.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.06840e+02 9.90398e+02 5.12667e+03 7.53393e+01 1.92954e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64705e+04 3.73845e+04 -3.78830e+05 3.61321e+03 1.17763e+02 + Potential Pressure (bar) + -3.12716e+05 -3.69097e+03 + + Step Time + 156 156.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.55173e+02 9.92088e+02 5.12641e+03 7.57511e+01 1.92776e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64672e+04 3.73809e+04 -3.78898e+05 3.60274e+03 1.18167e+02 + Potential Pressure (bar) + -3.12852e+05 -3.69976e+03 + + Step Time + 157 157.00000 + + Step Time + 158 158.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.03054e+02 9.82640e+02 5.12600e+03 7.54088e+01 1.92738e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64678e+04 3.73698e+04 -3.78949e+05 3.59886e+03 1.18417e+02 + Potential Pressure (bar) + -3.12980e+05 -3.70634e+03 + + Step Time + 159 159.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.89884e+02 9.94820e+02 5.12522e+03 7.56242e+01 1.92461e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64641e+04 3.73539e+04 -3.79104e+05 3.58036e+03 1.19439e+02 + Potential Pressure (bar) + -3.13076e+05 -3.73838e+03 + + Step Time + 160 160.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33162e+02 9.83216e+02 5.12472e+03 7.51573e+01 1.92429e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64652e+04 3.73406e+04 -3.79164e+05 3.57665e+03 1.19721e+02 + Potential Pressure (bar) + -3.13221e+05 -3.74664e+03 + + Step Time + 161 161.00000 + + Step Time + 162 162.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.01719e+02 9.83576e+02 5.12445e+03 7.53450e+01 1.92306e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64632e+04 3.73361e+04 -3.79220e+05 3.56894e+03 1.20063e+02 + Potential Pressure (bar) + -3.13324e+05 -3.75438e+03 + + Step Time + 163 163.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.67153e+02 9.84549e+02 5.12362e+03 7.49410e+01 1.92163e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64629e+04 3.73165e+04 -3.79348e+05 3.55747e+03 1.20864e+02 + Potential Pressure (bar) + -3.13419e+05 -3.78093e+03 + + Step Time + 164 164.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.18941e+02 9.85053e+02 5.12338e+03 7.52377e+01 1.92019e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64604e+04 3.73134e+04 -3.79408e+05 3.54889e+03 1.21222e+02 + Potential Pressure (bar) + -3.13542e+05 -3.78845e+03 + + Step Time + 165 165.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.30409e+02 9.88423e+02 5.12260e+03 7.47368e+01 1.91923e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64608e+04 3.72949e+04 -3.79521e+05 3.54007e+03 1.21955e+02 + Potential Pressure (bar) + -3.13568e+05 -3.81423e+03 + + Step Time + 166 166.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.60665e+02 9.89414e+02 5.12238e+03 7.51977e+01 1.91750e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64575e+04 3.72936e+04 -3.79584e+05 3.53032e+03 1.22329e+02 + Potential Pressure (bar) + -3.13715e+05 -3.82099e+03 + + Step Time + 167 167.00000 + + Step Time + 168 168.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.06357e+02 9.79226e+02 5.12197e+03 7.48363e+01 1.91717e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64582e+04 3.72835e+04 -3.79634e+05 3.52670e+03 1.22576e+02 + Potential Pressure (bar) + -3.13844e+05 -3.82667e+03 + + Step Time + 169 169.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.00941e+02 9.92913e+02 5.12131e+03 7.51079e+01 1.91469e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64547e+04 3.72730e+04 -3.79772e+05 3.51039e+03 1.23527e+02 + Potential Pressure (bar) + -3.13906e+05 -3.85512e+03 + + Step Time + 170 170.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.42134e+02 9.80387e+02 5.12082e+03 7.46120e+01 1.91443e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64559e+04 3.72609e+04 -3.79830e+05 3.50704e+03 1.23803e+02 + Potential Pressure (bar) + -3.14050e+05 -3.86244e+03 + + Step Time + 171 171.00000 + + Step Time + 172 172.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.01972e+02 9.80423e+02 5.12058e+03 7.48246e+01 1.91326e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64539e+04 3.72582e+04 -3.79882e+05 3.49989e+03 1.24123e+02 + Potential Pressure (bar) + -3.14155e+05 -3.86858e+03 + + Step Time + 173 173.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.82043e+02 9.82256e+02 5.11975e+03 7.44042e+01 1.91191e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64536e+04 3.72412e+04 -3.80010e+05 3.48883e+03 1.24949e+02 + Potential Pressure (bar) + -3.14232e+05 -3.89483e+03 + + Step Time + 174 174.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21577e+02 9.82322e+02 5.11954e+03 7.47369e+01 1.91052e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64511e+04 3.72399e+04 -3.80066e+05 3.48077e+03 1.25285e+02 + Potential Pressure (bar) + -3.14361e+05 -3.90071e+03 + + Step Time + 175 175.00000 + + Step Time + 176 176.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.04523e+02 9.76764e+02 5.11914e+03 7.44560e+01 1.91004e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64514e+04 3.72314e+04 -3.80121e+05 3.47644e+03 1.25597e+02 + Potential Pressure (bar) + -3.14451e+05 -3.90887e+03 + + Step Time + 177 177.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.41236e+02 9.83992e+02 5.11862e+03 7.46519e+01 1.90816e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64487e+04 3.72246e+04 -3.80228e+05 3.46414e+03 1.26313e+02 + Potential Pressure (bar) + -3.14538e+05 -3.92840e+03 + + Step Time + 178 178.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28629e+02 9.77272e+02 5.11815e+03 7.42697e+01 1.90772e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64493e+04 3.72146e+04 -3.80289e+05 3.45984e+03 1.26661e+02 + Potential Pressure (bar) + -3.14633e+05 -3.93810e+03 + + Step Time + 179 179.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.80478e+02 9.87992e+02 5.11779e+03 7.46142e+01 1.90594e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64463e+04 3.72113e+04 -3.80378e+05 3.44874e+03 1.27292e+02 + Potential Pressure (bar) + -3.14678e+05 -3.95505e+03 + + Step Time + 180 180.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.81999e+02 9.80237e+02 5.11724e+03 7.40878e+01 1.90564e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64475e+04 3.71994e+04 -3.80444e+05 3.44491e+03 1.27668e+02 + Potential Pressure (bar) + -3.14766e+05 -3.96631e+03 + + Step Time + 181 181.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.59745e+02 9.96421e+02 5.11698e+03 7.46437e+01 1.90378e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64439e+04 3.71996e+04 -3.80525e+05 3.43385e+03 1.28282e+02 + Potential Pressure (bar) + -3.14768e+05 -3.98296e+03 + + Step Time + 182 182.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.96587e+02 9.88614e+02 5.11636e+03 7.39040e+01 1.90373e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64460e+04 3.71853e+04 -3.80595e+05 3.43111e+03 1.28684e+02 + Potential Pressure (bar) + -3.14824e+05 -3.99659e+03 + + Step Time + 183 183.00000 + + Step Time + 184 184.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 2.94814e+02 9.75989e+02 5.11624e+03 7.42671e+01 1.90251e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64436e+04 3.71860e+04 -3.80632e+05 3.42438e+03 1.28816e+02 + Potential Pressure (bar) + -3.15085e+05 -3.99105e+03 + + Step Time + 185 185.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 6.19558e+02 9.96269e+02 5.11441e+03 7.35274e+01 1.89909e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64416e+04 3.71573e+04 -3.80937e+05 3.39715e+03 1.30981e+02 + Potential Pressure (bar) + -3.15107e+05 -4.05660e+03 + + Step Time + 186 186.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.19768e+02 9.78207e+02 5.11431e+03 7.40637e+01 1.89747e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64384e+04 3.71600e+04 -3.80980e+05 3.38924e+03 1.31084e+02 + Potential Pressure (bar) + -3.15478e+05 -4.04916e+03 + + Step Time + 187 187.00000 + + Step Time + 188 188.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.70280e+02 9.76484e+02 5.11372e+03 7.36483e+01 1.89686e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64388e+04 3.71499e+04 -3.81062e+05 3.38323e+03 1.31617e+02 + Potential Pressure (bar) + -3.15528e+05 -4.06357e+03 + + Step Time + 189 189.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.53945e+02 9.81959e+02 5.11352e+03 7.40362e+01 1.89542e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64362e+04 3.71506e+04 -3.81125e+05 3.37498e+03 1.32040e+02 + Potential Pressure (bar) + -3.15612e+05 -4.07269e+03 + + Step Time + 190 190.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.47975e+02 9.81784e+02 5.11289e+03 7.34779e+01 1.89504e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64372e+04 3.71394e+04 -3.81205e+05 3.37025e+03 1.32579e+02 + Potential Pressure (bar) + -3.15614e+05 -4.08977e+03 + + Step Time + 191 191.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.29136e+02 9.90333e+02 5.11275e+03 7.40845e+01 1.89338e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64338e+04 3.71425e+04 -3.81268e+05 3.36100e+03 1.33019e+02 + Potential Pressure (bar) + -3.15698e+05 -4.09832e+03 + + Step Time + 192 192.00000 + + Step Time + 193 193.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.00007e+02 9.71539e+02 5.11237e+03 7.36469e+01 1.89324e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64348e+04 3.71349e+04 -3.81306e+05 3.35880e+03 1.33146e+02 + Potential Pressure (bar) + -3.15893e+05 -4.09694e+03 + + Step Time + 194 194.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.98084e+02 9.96065e+02 5.11145e+03 7.39832e+01 1.89013e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64303e+04 3.71292e+04 -3.81505e+05 3.33769e+03 1.34628e+02 + Potential Pressure (bar) + -3.15904e+05 -4.13723e+03 + + Step Time + 195 195.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.39142e+02 9.72595e+02 5.11097e+03 7.33833e+01 1.89001e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64318e+04 3.71196e+04 -3.81551e+05 3.33586e+03 1.34762e+02 + Potential Pressure (bar) + -3.16143e+05 -4.13702e+03 + + Step Time + 196 196.00000 + + Step Time + 197 197.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24323e+02 9.76291e+02 5.11074e+03 7.36626e+01 1.88885e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64297e+04 3.71200e+04 -3.81609e+05 3.32854e+03 1.35159e+02 + Potential Pressure (bar) + -3.16222e+05 -4.14394e+03 + + Step Time + 198 198.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.85440e+02 9.75190e+02 5.11017e+03 7.32123e+01 1.88826e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64302e+04 3.71116e+04 -3.81689e+05 3.32320e+03 1.35692e+02 + Potential Pressure (bar) + -3.16256e+05 -4.15968e+03 + + Step Time + 199 199.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.64994e+02 9.80935e+02 5.10999e+03 7.36521e+01 1.88691e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64275e+04 3.71139e+04 -3.81749e+05 3.31524e+03 1.36101e+02 + Potential Pressure (bar) + -3.16339e+05 -4.16688e+03 + + Step Time + 200 200.00000 + + Step Time + 201 201.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 2.97814e+02 9.69632e+02 5.10966e+03 7.33193e+01 1.88668e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64281e+04 3.71084e+04 -3.81787e+05 3.31282e+03 1.36282e+02 + Potential Pressure (bar) + -3.16464e+05 -4.16887e+03 + + Step Time + 202 202.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.01385e+02 9.84110e+02 5.10883e+03 7.35433e+01 1.88407e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64245e+04 3.71048e+04 -3.81960e+05 3.29512e+03 1.37524e+02 + Potential Pressure (bar) + -3.16546e+05 -4.19955e+03 + + Step Time + 203 203.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22463e+02 9.69859e+02 5.10841e+03 7.30892e+01 1.88386e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64254e+04 3.70979e+04 -3.82006e+05 3.29280e+03 1.37730e+02 + Potential Pressure (bar) + -3.16694e+05 -4.20252e+03 + + Step Time + 204 204.00000 + + Step Time + 205 205.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.07171e+02 9.72325e+02 5.10819e+03 7.32919e+01 1.88288e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64237e+04 3.70983e+04 -3.82059e+05 3.28655e+03 1.38091e+02 + Potential Pressure (bar) + -3.16769e+05 -4.20888e+03 + + Step Time + 206 206.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.51037e+02 9.71099e+02 5.10762e+03 7.29371e+01 1.88213e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64237e+04 3.70920e+04 -3.82143e+05 3.28041e+03 1.38649e+02 + Potential Pressure (bar) + -3.16823e+05 -4.22352e+03 + + Step Time + 207 207.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27975e+02 9.74768e+02 5.10743e+03 7.32560e+01 1.88101e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64217e+04 3.70938e+04 -3.82197e+05 3.27364e+03 1.39021e+02 + Potential Pressure (bar) + -3.16905e+05 -4.22984e+03 + + Step Time + 208 208.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.06286e+02 9.74533e+02 5.10684e+03 7.27856e+01 1.88049e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64222e+04 3.70866e+04 -3.82277e+05 3.26865e+03 1.39567e+02 + Potential Pressure (bar) + -3.16919e+05 -4.24533e+03 + + Step Time + 209 209.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.74898e+02 9.80240e+02 5.10671e+03 7.32765e+01 1.87918e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64196e+04 3.70904e+04 -3.82333e+05 3.26110e+03 1.39953e+02 + Potential Pressure (bar) + -3.17007e+05 -4.25143e+03 + + Step Time + 210 210.00000 + + Step Time + 211 211.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.00220e+02 9.67670e+02 5.10636e+03 7.29199e+01 1.87897e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64201e+04 3.70852e+04 -3.82370e+05 3.25887e+03 1.40125e+02 + Potential Pressure (bar) + -3.17140e+05 -4.25248e+03 + + Step Time + 212 212.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.18336e+02 9.84259e+02 5.10565e+03 7.32040e+01 1.87665e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64168e+04 3.70856e+04 -3.82526e+05 3.24323e+03 1.41278e+02 + Potential Pressure (bar) + -3.17181e+05 -4.28038e+03 + + Step Time + 213 213.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29590e+02 9.68370e+02 5.10521e+03 7.27117e+01 1.87647e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64178e+04 3.70790e+04 -3.82570e+05 3.24118e+03 1.41471e+02 + Potential Pressure (bar) + -3.17338e+05 -4.28243e+03 + + Step Time + 214 214.00000 + + Step Time + 215 215.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.09422e+02 9.70856e+02 5.10502e+03 7.29412e+01 1.87554e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64161e+04 3.70806e+04 -3.82621e+05 3.23529e+03 1.41814e+02 + Potential Pressure (bar) + -3.17413e+05 -4.28775e+03 + + Step Time + 216 216.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.63327e+02 9.70060e+02 5.10444e+03 7.25630e+01 1.87485e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64162e+04 3.70755e+04 -3.82704e+05 3.22957e+03 1.42377e+02 + Potential Pressure (bar) + -3.17455e+05 -4.30226e+03 + + Step Time + 217 217.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33849e+02 9.73825e+02 5.10429e+03 7.29191e+01 1.87377e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64141e+04 3.70786e+04 -3.82756e+05 3.22310e+03 1.42734e+02 + Potential Pressure (bar) + -3.17539e+05 -4.30760e+03 + + Step Time + 218 218.00000 + + Step Time + 219 219.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 2.98852e+02 9.66315e+02 5.10397e+03 7.26464e+01 1.87349e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64144e+04 3.70751e+04 -3.82794e+05 3.22059e+03 1.42948e+02 + Potential Pressure (bar) + -3.17626e+05 -4.31086e+03 + + Step Time + 220 220.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.56489e+02 9.76028e+02 5.10336e+03 7.28458e+01 1.87162e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64117e+04 3.70763e+04 -3.82923e+05 3.20804e+03 1.43875e+02 + Potential Pressure (bar) + -3.17703e+05 -4.33130e+03 + + Step Time + 221 221.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.17928e+02 9.66497e+02 5.10297e+03 7.24713e+01 1.87135e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64123e+04 3.70718e+04 -3.82968e+05 3.20554e+03 1.44120e+02 + Potential Pressure (bar) + -3.17803e+05 -4.33551e+03 + + Step Time + 222 222.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.00836e+02 9.80959e+02 5.10262e+03 7.28427e+01 1.86988e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64097e+04 3.70755e+04 -3.83059e+05 3.19601e+03 1.44820e+02 + Potential Pressure (bar) + -3.17805e+05 -4.35164e+03 + + Step Time + 223 223.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.63674e+02 9.68926e+02 5.10215e+03 7.23168e+01 1.86968e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64107e+04 3.70695e+04 -3.83109e+05 3.19382e+03 1.45087e+02 + Potential Pressure (bar) + -3.17913e+05 -4.35656e+03 + + Step Time + 224 224.00000 + + Step Time + 225 225.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.00012e+02 9.67891e+02 5.10203e+03 7.25745e+01 1.86889e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64092e+04 3.70720e+04 -3.83147e+05 3.18896e+03 1.45321e+02 + Potential Pressure (bar) + -3.18020e+05 -4.35777e+03 + + Step Time + 226 226.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.13064e+02 9.71865e+02 5.10120e+03 7.21434e+01 1.86772e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64087e+04 3.70680e+04 -3.83274e+05 3.17975e+03 1.46232e+02 + Potential Pressure (bar) + -3.18045e+05 -4.38055e+03 + + Step Time + 227 227.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.19712e+02 9.70449e+02 5.10110e+03 7.25336e+01 1.86673e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64068e+04 3.70720e+04 -3.83316e+05 3.17410e+03 1.46478e+02 + Potential Pressure (bar) + -3.18186e+05 -4.38125e+03 + + Step Time + 228 228.00000 + + Step Time + 229 229.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.13972e+02 9.65180e+02 5.10072e+03 7.22397e+01 1.86636e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64070e+04 3.70690e+04 -3.83365e+05 3.17087e+03 1.46789e+02 + Potential Pressure (bar) + -3.18253e+05 -4.38700e+03 + + Step Time + 230 230.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.41447e+02 9.72924e+02 5.10042e+03 7.25046e+01 1.86519e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64050e+04 3.70725e+04 -3.83439e+05 3.16336e+03 1.47326e+02 + Potential Pressure (bar) + -3.18298e+05 -4.39811e+03 + + Step Time + 231 231.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.44492e+02 9.66572e+02 5.09997e+03 7.21023e+01 1.86486e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64055e+04 3.70686e+04 -3.83493e+05 3.16037e+03 1.47662e+02 + Potential Pressure (bar) + -3.18363e+05 -4.40512e+03 + + Step Time + 232 232.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.85426e+02 9.78037e+02 5.09977e+03 7.25232e+01 1.86369e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64032e+04 3.70737e+04 -3.83559e+05 3.15300e+03 1.48172e+02 + Potential Pressure (bar) + -3.18381e+05 -4.41568e+03 + + Step Time + 233 233.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.09593e+02 9.70826e+02 5.09924e+03 7.19622e+01 1.86348e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64042e+04 3.70683e+04 -3.83615e+05 3.15062e+03 1.48529e+02 + Potential Pressure (bar) + -3.18428e+05 -4.42419e+03 + + Step Time + 234 234.00000 + + Step Time + 235 235.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 2.94580e+02 9.65494e+02 5.09916e+03 7.22438e+01 1.86274e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64028e+04 3.70713e+04 -3.83646e+05 3.14626e+03 1.48682e+02 + Potential Pressure (bar) + -3.18583e+05 -4.42164e+03 + + Step Time + 236 236.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.63962e+02 9.73937e+02 5.09768e+03 7.17123e+01 1.86027e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.64008e+04 3.70705e+04 -3.83887e+05 3.12775e+03 1.50423e+02 + Potential Pressure (bar) + -3.18670e+05 -4.46049e+03 + + Step Time + 237 237.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.13257e+02 9.68025e+02 5.09762e+03 7.21327e+01 1.85930e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63989e+04 3.70753e+04 -3.83924e+05 3.12251e+03 1.50595e+02 + Potential Pressure (bar) + -3.18866e+05 -4.45822e+03 + + Step Time + 238 238.00000 + + Step Time + 239 239.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28920e+02 9.64408e+02 5.09717e+03 7.18279e+01 1.85886e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63990e+04 3.70733e+04 -3.83983e+05 3.11880e+03 1.50983e+02 + Potential Pressure (bar) + -3.18920e+05 -4.46553e+03 + + Step Time + 240 240.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.37159e+02 9.71013e+02 5.09696e+03 7.21271e+01 1.85788e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63972e+04 3.70778e+04 -3.84041e+05 3.11265e+03 1.51411e+02 + Potential Pressure (bar) + -3.18967e+05 -4.47341e+03 + + Step Time + 241 241.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.63968e+02 9.66370e+02 5.09648e+03 7.17110e+01 1.85754e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63977e+04 3.70749e+04 -3.84099e+05 3.10964e+03 1.51793e+02 + Potential Pressure (bar) + -3.19009e+05 -4.48157e+03 + + Step Time + 242 242.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.87626e+02 9.77052e+02 5.09633e+03 7.21721e+01 1.85647e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63955e+04 3.70811e+04 -3.84158e+05 3.10296e+03 1.52243e+02 + Potential Pressure (bar) + -3.19037e+05 -4.48999e+03 + + Step Time + 243 243.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.34606e+02 9.71286e+02 5.09578e+03 7.15893e+01 1.85627e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63965e+04 3.70766e+04 -3.84215e+05 3.10082e+03 1.52621e+02 + Potential Pressure (bar) + -3.19059e+05 -4.49921e+03 + + Step Time + 244 244.00000 + + Step Time + 245 245.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 2.94539e+02 9.64062e+02 5.09571e+03 7.18900e+01 1.85557e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63951e+04 3.70801e+04 -3.84244e+05 3.09661e+03 1.52744e+02 + Potential Pressure (bar) + -3.19238e+05 -4.49494e+03 + + Step Time + 246 246.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.92071e+02 9.74616e+02 5.09392e+03 7.13157e+01 1.85265e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63926e+04 3.70849e+04 -3.84532e+05 3.07499e+03 1.54848e+02 + Potential Pressure (bar) + -3.19340e+05 -4.53911e+03 + + Step Time + 247 247.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.14164e+02 9.66793e+02 5.09388e+03 7.17589e+01 1.85169e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63907e+04 3.70903e+04 -3.84568e+05 3.06996e+03 1.54989e+02 + Potential Pressure (bar) + -3.19563e+05 -4.53550e+03 + + Step Time + 248 248.00000 + + Step Time + 249 249.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.36780e+02 9.63517e+02 5.09341e+03 7.14468e+01 1.85127e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63908e+04 3.70892e+04 -3.84626e+05 3.06647e+03 1.55388e+02 + Potential Pressure (bar) + -3.19608e+05 -4.54261e+03 + + Step Time + 250 250.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.40194e+02 9.70151e+02 5.09323e+03 7.17672e+01 1.85037e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63891e+04 3.70947e+04 -3.84681e+05 3.06081e+03 1.55786e+02 + Potential Pressure (bar) + -3.19655e+05 -4.54933e+03 + + Step Time + 251 251.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.76477e+02 9.65921e+02 5.09273e+03 7.13369e+01 1.85006e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63896e+04 3.70927e+04 -3.84738e+05 3.05808e+03 1.56172e+02 + Potential Pressure (bar) + -3.19685e+05 -4.55744e+03 + + Step Time + 252 252.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.95141e+02 9.76795e+02 5.09260e+03 7.18283e+01 1.84907e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63875e+04 3.71000e+04 -3.84793e+05 3.05185e+03 1.56597e+02 + Potential Pressure (bar) + -3.19712e+05 -4.56485e+03 + + Step Time + 253 253.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.56985e+02 9.71750e+02 5.09204e+03 7.12225e+01 1.84890e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63885e+04 3.70963e+04 -3.84850e+05 3.05008e+03 1.56980e+02 + Potential Pressure (bar) + -3.19717e+05 -4.57423e+03 + + Step Time + 254 254.00000 + + Step Time + 255 255.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 2.94946e+02 9.62859e+02 5.09199e+03 7.15392e+01 1.84822e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63871e+04 3.71002e+04 -3.84877e+05 3.04599e+03 1.57079e+02 + Potential Pressure (bar) + -3.19917e+05 -4.56845e+03 + + Step Time + 256 256.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 5.20859e+02 9.75567e+02 5.08993e+03 7.09309e+01 1.84504e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63842e+04 3.71119e+04 -3.85202e+05 3.02241e+03 1.59472e+02 + Potential Pressure (bar) + -3.20021e+05 -4.61598e+03 + + Step Time + 257 257.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.15904e+02 9.65839e+02 5.08989e+03 7.13940e+01 1.84409e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63824e+04 3.71179e+04 -3.85235e+05 3.01755e+03 1.59584e+02 + Potential Pressure (bar) + -3.20271e+05 -4.61121e+03 + + Step Time + 258 258.00000 + + Step Time + 259 259.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.44922e+02 9.62846e+02 5.08941e+03 7.10750e+01 1.84370e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63825e+04 3.71178e+04 -3.85294e+05 3.01436e+03 1.59985e+02 + Potential Pressure (bar) + -3.20308e+05 -4.61799e+03 + + Step Time + 260 260.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.44090e+02 9.69547e+02 5.08925e+03 7.14137e+01 1.84288e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63809e+04 3.71241e+04 -3.85345e+05 3.00913e+03 1.60359e+02 + Potential Pressure (bar) + -3.20353e+05 -4.62373e+03 + + Step Time + 261 261.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.90264e+02 9.65759e+02 5.08873e+03 7.09710e+01 1.84259e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63814e+04 3.71230e+04 -3.85402e+05 3.00671e+03 1.60746e+02 + Potential Pressure (bar) + -3.20371e+05 -4.63177e+03 + + Step Time + 262 262.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.04261e+02 9.76875e+02 5.08863e+03 7.14940e+01 1.84167e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63794e+04 3.71312e+04 -3.85453e+05 3.00084e+03 1.61150e+02 + Potential Pressure (bar) + -3.20398e+05 -4.63828e+03 + + Step Time + 263 263.00000 + + Step Time + 264 264.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 2.97384e+02 9.60824e+02 5.08831e+03 7.11406e+01 1.84151e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63799e+04 3.71290e+04 -3.85481e+05 2.99968e+03 1.61238e+02 + Potential Pressure (bar) + -3.20552e+05 -4.63507e+03 + + Step Time + 265 265.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.65926e+02 9.82201e+02 5.08687e+03 7.13902e+01 1.83855e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63757e+04 3.71496e+04 -3.85746e+05 2.97847e+03 1.63230e+02 + Potential Pressure (bar) + -3.20634e+05 -4.67145e+03 + + Step Time + 266 266.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.12459e+02 9.60536e+02 5.08647e+03 7.09197e+01 1.83832e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63765e+04 3.71467e+04 -3.85777e+05 2.97766e+03 1.63298e+02 + Potential Pressure (bar) + -3.20844e+05 -4.66799e+03 + + Step Time + 267 267.00000 + + Step Time + 268 268.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33727e+02 9.67297e+02 5.08618e+03 7.11554e+01 1.83752e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63750e+04 3.71535e+04 -3.85841e+05 2.97199e+03 1.63769e+02 + Potential Pressure (bar) + -3.20880e+05 -4.67500e+03 + + Step Time + 269 269.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.32375e+02 9.61337e+02 5.08577e+03 7.08151e+01 1.83722e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63753e+04 3.71535e+04 -3.85886e+05 2.96995e+03 1.64055e+02 + Potential Pressure (bar) + -3.20936e+05 -4.67975e+03 + + Step Time + 270 270.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.71697e+02 9.72041e+02 5.08555e+03 7.11845e+01 1.83639e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63736e+04 3.71615e+04 -3.85946e+05 2.96417e+03 1.64526e+02 + Potential Pressure (bar) + -3.20946e+05 -4.68779e+03 + + Step Time + 271 271.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.74861e+02 9.63904e+02 5.08508e+03 7.07114e+01 1.83615e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63742e+04 3.71602e+04 -3.85993e+05 2.96263e+03 1.64814e+02 + Potential Pressure (bar) + -3.21000e+05 -4.69271e+03 + + Step Time + 272 272.00000 + + Step Time + 273 273.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 2.98457e+02 9.61723e+02 5.08499e+03 7.09574e+01 1.83565e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63732e+04 3.71645e+04 -3.86022e+05 2.95920e+03 1.64977e+02 + Potential Pressure (bar) + -3.21108e+05 -4.69133e+03 + + Step Time + 274 274.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.12660e+02 9.66155e+02 5.08395e+03 7.05634e+01 1.83436e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63723e+04 3.71729e+04 -3.86170e+05 2.94990e+03 1.66065e+02 + Potential Pressure (bar) + -3.21141e+05 -4.71212e+03 + + Step Time + 275 275.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.15337e+02 9.64391e+02 5.08388e+03 7.09299e+01 1.83370e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63709e+04 3.71789e+04 -3.86204e+05 2.94574e+03 1.66254e+02 + Potential Pressure (bar) + -3.21274e+05 -4.71099e+03 + + Step Time + 276 276.00000 + + Step Time + 277 277.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.17420e+02 9.60069e+02 5.08349e+03 7.06737e+01 1.83338e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63710e+04 3.71800e+04 -3.86249e+05 2.94342e+03 1.66548e+02 + Potential Pressure (bar) + -3.21323e+05 -4.71507e+03 + + Step Time + 278 278.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.35922e+02 9.67082e+02 5.08324e+03 7.09325e+01 1.83262e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63696e+04 3.71874e+04 -3.86307e+05 2.93824e+03 1.66983e+02 + Potential Pressure (bar) + -3.21355e+05 -4.72211e+03 + + Step Time + 279 279.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.40960e+02 9.61191e+02 5.08281e+03 7.05798e+01 1.83234e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63699e+04 3.71878e+04 -3.86353e+05 2.93629e+03 1.67277e+02 + Potential Pressure (bar) + -3.21404e+05 -4.72663e+03 + + Step Time + 280 280.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.77241e+02 9.72207e+02 5.08263e+03 7.09774e+01 1.83157e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63683e+04 3.71965e+04 -3.86409e+05 2.93086e+03 1.67720e+02 + Potential Pressure (bar) + -3.21411e+05 -4.73418e+03 + + Step Time + 281 281.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.90435e+02 9.64366e+02 5.08213e+03 7.04808e+01 1.83135e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63689e+04 3.71956e+04 -3.86456e+05 2.92952e+03 1.68014e+02 + Potential Pressure (bar) + -3.21455e+05 -4.73923e+03 + + Step Time + 282 282.00000 + + Step Time + 283 283.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 2.98596e+02 9.61089e+02 5.08206e+03 7.07428e+01 1.83086e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63679e+04 3.72002e+04 -3.86483e+05 2.92618e+03 1.68157e+02 + Potential Pressure (bar) + -3.21577e+05 -4.73681e+03 + + Step Time + 284 284.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.33756e+02 9.67025e+02 5.08088e+03 7.03249e+01 1.82946e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63669e+04 3.72118e+04 -3.86649e+05 2.91603e+03 1.69381e+02 + Potential Pressure (bar) + -3.21603e+05 -4.75965e+03 + + Step Time + 285 285.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.16314e+02 9.63903e+02 5.08083e+03 7.07133e+01 1.82881e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63655e+04 3.72181e+04 -3.86681e+05 2.91198e+03 1.69547e+02 + Potential Pressure (bar) + -3.21756e+05 -4.75739e+03 + + Step Time + 286 286.00000 + + Step Time + 287 287.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23313e+02 9.59732e+02 5.08043e+03 7.04454e+01 1.82849e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63656e+04 3.72197e+04 -3.86727e+05 2.90972e+03 1.69851e+02 + Potential Pressure (bar) + -3.21800e+05 -4.76147e+03 + + Step Time + 288 288.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.38443e+02 9.66824e+02 5.08021e+03 7.07234e+01 1.82781e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63643e+04 3.72276e+04 -3.86781e+05 2.90492e+03 1.70253e+02 + Potential Pressure (bar) + -3.21830e+05 -4.76771e+03 + + Step Time + 289 289.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.51011e+02 9.61206e+02 5.07976e+03 7.03544e+01 1.82754e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63646e+04 3.72284e+04 -3.86827e+05 2.90311e+03 1.70555e+02 + Potential Pressure (bar) + -3.21870e+05 -4.77237e+03 + + Step Time + 290 290.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.83523e+02 9.72424e+02 5.07961e+03 7.07800e+01 1.82682e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63631e+04 3.72375e+04 -3.86880e+05 2.89800e+03 1.70973e+02 + Potential Pressure (bar) + -3.21877e+05 -4.77919e+03 + + Step Time + 291 291.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.08579e+02 9.65090e+02 5.07909e+03 7.02604e+01 1.82662e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63637e+04 3.72371e+04 -3.86926e+05 2.89686e+03 1.71273e+02 + Potential Pressure (bar) + -3.21908e+05 -4.78459e+03 + + Step Time + 292 292.00000 + + Step Time + 293 293.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 2.98811e+02 9.60466e+02 5.07904e+03 7.05363e+01 1.82615e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63627e+04 3.72418e+04 -3.86952e+05 2.89358e+03 1.71395e+02 + Potential Pressure (bar) + -3.22048e+05 -4.78098e+03 + + Step Time + 294 294.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.58207e+02 9.68200e+02 5.07770e+03 7.00902e+01 1.82460e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63615e+04 3.72574e+04 -3.87139e+05 2.88240e+03 1.72789e+02 + Potential Pressure (bar) + -3.22066e+05 -4.80615e+03 + + Step Time + 295 295.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.17436e+02 9.63439e+02 5.07766e+03 7.05001e+01 1.82397e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63602e+04 3.72640e+04 -3.87170e+05 2.87839e+03 1.72928e+02 + Potential Pressure (bar) + -3.22242e+05 -4.80272e+03 + + Step Time + 296 296.00000 + + Step Time + 297 297.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30219e+02 9.59487e+02 5.07724e+03 7.02212e+01 1.82366e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63603e+04 3.72662e+04 -3.87217e+05 2.87622e+03 1.73244e+02 + Potential Pressure (bar) + -3.22280e+05 -4.80684e+03 + + Step Time + 298 298.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.41292e+02 9.66616e+02 5.07706e+03 7.05191e+01 1.82304e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63590e+04 3.72743e+04 -3.87267e+05 2.87175e+03 1.73617e+02 + Potential Pressure (bar) + -3.22310e+05 -4.81233e+03 + + Step Time + 299 299.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.62752e+02 9.61368e+02 5.07659e+03 7.01336e+01 1.82277e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63594e+04 3.72756e+04 -3.87313e+05 2.87011e+03 1.73926e+02 + Potential Pressure (bar) + -3.22341e+05 -4.81722e+03 + + Step Time + 300 300.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.90621e+02 9.72753e+02 5.07647e+03 7.05892e+01 1.82212e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63579e+04 3.72851e+04 -3.87363e+05 2.86523e+03 1.74320e+02 + Potential Pressure (bar) + -3.22348e+05 -4.82335e+03 + + Step Time + 301 301.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.29696e+02 9.66086e+02 5.07594e+03 7.00438e+01 1.82193e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63586e+04 3.72850e+04 -3.87409e+05 2.86435e+03 1.74629e+02 + Potential Pressure (bar) + -3.22363e+05 -4.82919e+03 + + Step Time + 302 302.00000 + + Step Time + 303 303.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 2.99097e+02 9.59863e+02 5.07590e+03 7.03363e+01 1.82147e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63576e+04 3.72899e+04 -3.87434e+05 2.86111e+03 1.74728e+02 + Potential Pressure (bar) + -3.22524e+05 -4.82425e+03 + + Step Time + 304 304.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.86343e+02 9.69648e+02 5.07437e+03 6.98583e+01 1.81976e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63562e+04 3.73106e+04 -3.87648e+05 2.84856e+03 1.76335e+02 + Potential Pressure (bar) + -3.22536e+05 -4.85229e+03 + + Step Time + 305 305.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.18777e+02 9.62979e+02 5.07435e+03 7.02891e+01 1.81912e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63549e+04 3.73174e+04 -3.87678e+05 2.84461e+03 1.76446e+02 + Potential Pressure (bar) + -3.22739e+05 -4.84765e+03 + + Step Time + 306 306.00000 + + Step Time + 307 307.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.38215e+02 9.59323e+02 5.07391e+03 7.00003e+01 1.81882e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63550e+04 3.73201e+04 -3.87725e+05 2.84256e+03 1.76772e+02 + Potential Pressure (bar) + -3.22770e+05 -4.85181e+03 + + Step Time + 308 308.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.44601e+02 9.66449e+02 5.07376e+03 7.03186e+01 1.81825e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63538e+04 3.73285e+04 -3.87772e+05 2.83837e+03 1.77119e+02 + Potential Pressure (bar) + -3.22800e+05 -4.85656e+03 + + Step Time + 309 309.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.76296e+02 9.61678e+02 5.07328e+03 6.99177e+01 1.81800e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63542e+04 3.73302e+04 -3.87818e+05 2.83692e+03 1.77436e+02 + Potential Pressure (bar) + -3.22820e+05 -4.86171e+03 + + Step Time + 310 310.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.98787e+02 9.73194e+02 5.07319e+03 7.04026e+01 1.81740e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63527e+04 3.73401e+04 -3.87865e+05 2.83224e+03 1.77809e+02 + Potential Pressure (bar) + -3.22829e+05 -4.86715e+03 + + Step Time + 311 311.00000 + + Step Time + 312 312.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 2.99820e+02 9.58130e+02 5.07289e+03 7.00799e+01 1.81723e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63530e+04 3.73394e+04 -3.87888e+05 2.83151e+03 1.77876e+02 + Potential Pressure (bar) + -3.22968e+05 -4.86340e+03 + + Step Time + 313 313.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.56255e+02 9.77860e+02 5.07111e+03 7.02864e+01 1.81453e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63493e+04 3.73789e+04 -3.88187e+05 2.81103e+03 1.80119e+02 + Potential Pressure (bar) + -3.23077e+05 -4.89596e+03 + + Step Time + 314 314.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.11345e+02 9.57589e+02 5.07074e+03 6.98718e+01 1.81426e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63499e+04 3.73780e+04 -3.88213e+05 2.81065e+03 1.80164e+02 + Potential Pressure (bar) + -3.23271e+05 -4.89207e+03 + + Step Time + 315 315.00000 + + Step Time + 316 316.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.36594e+02 9.64578e+02 5.07045e+03 7.00960e+01 1.81368e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63488e+04 3.73876e+04 -3.88274e+05 2.80602e+03 1.80621e+02 + Potential Pressure (bar) + -3.23296e+05 -4.89778e+03 + + Step Time + 317 317.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27483e+02 9.58149e+02 5.07008e+03 6.97934e+01 1.81343e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63491e+04 3.73894e+04 -3.88311e+05 2.80478e+03 1.80848e+02 + Potential Pressure (bar) + -3.23348e+05 -4.90015e+03 + + Step Time + 318 318.00000 + + Step Time + 319 319.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.01588e+02 9.59037e+02 5.06997e+03 6.99491e+01 1.81311e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63484e+04 3.73943e+04 -3.88339e+05 2.80230e+03 1.81036e+02 + Potential Pressure (bar) + -3.23399e+05 -4.90091e+03 + + Step Time + 320 320.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.42379e+02 9.58776e+02 5.06929e+03 6.97148e+01 1.81241e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63480e+04 3.74039e+04 -3.88429e+05 2.79752e+03 1.81678e+02 + Potential Pressure (bar) + -3.23445e+05 -4.91008e+03 + + Step Time + 321 321.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.10509e+02 9.60629e+02 5.06919e+03 6.99492e+01 1.81203e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63472e+04 3.74101e+04 -3.88461e+05 2.79453e+03 1.81895e+02 + Potential Pressure (bar) + -3.23505e+05 -4.91117e+03 + + Step Time + 322 322.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.70428e+02 9.60425e+02 5.06863e+03 6.96469e+01 1.81158e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63471e+04 3.74161e+04 -3.88527e+05 2.79170e+03 1.82376e+02 + Potential Pressure (bar) + -3.23509e+05 -4.91927e+03 + + Step Time + 323 323.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33197e+02 9.63953e+02 5.06856e+03 6.99944e+01 1.81114e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63461e+04 3.74237e+04 -3.88563e+05 2.78810e+03 1.82620e+02 + Potential Pressure (bar) + -3.23575e+05 -4.92041e+03 + + Step Time + 324 324.00000 + + Step Time + 325 325.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.06600e+02 9.57137e+02 5.06827e+03 6.97635e+01 1.81094e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63462e+04 3.74251e+04 -3.88590e+05 2.78704e+03 1.82781e+02 + Potential Pressure (bar) + -3.23637e+05 -4.92083e+03 + + Step Time + 326 326.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.57644e+02 9.66873e+02 5.06783e+03 6.99999e+01 1.81016e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63449e+04 3.74390e+04 -3.88676e+05 2.78093e+03 1.83436e+02 + Potential Pressure (bar) + -3.23656e+05 -4.93049e+03 + + Step Time + 327 327.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.20563e+02 9.57396e+02 5.06749e+03 6.96792e+01 1.80994e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63452e+04 3.74401e+04 -3.88707e+05 2.78007e+03 1.83601e+02 + Potential Pressure (bar) + -3.23733e+05 -4.93088e+03 + + Step Time + 328 328.00000 + + Step Time + 329 329.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.07439e+02 9.59713e+02 5.06735e+03 6.98475e+01 1.80960e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63445e+04 3.74461e+04 -3.88741e+05 2.77722e+03 1.83843e+02 + Potential Pressure (bar) + -3.23776e+05 -4.93270e+03 + + Step Time + 330 330.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.34901e+02 9.57946e+02 5.06689e+03 6.96118e+01 1.80918e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63444e+04 3.74518e+04 -3.88798e+05 2.77463e+03 1.84244e+02 + Potential Pressure (bar) + -3.23804e+05 -4.93858e+03 + + Step Time + 331 331.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21314e+02 9.61850e+02 5.06676e+03 6.98641e+01 1.80879e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63436e+04 3.74591e+04 -3.88836e+05 2.77135e+03 1.84511e+02 + Potential Pressure (bar) + -3.23848e+05 -4.94084e+03 + + Step Time + 332 332.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.62667e+02 9.59509e+02 5.06629e+03 6.95421e+01 1.80847e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63437e+04 3.74633e+04 -3.88886e+05 2.76953e+03 1.84872e+02 + Potential Pressure (bar) + -3.23858e+05 -4.94670e+03 + + Step Time + 333 333.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.52327e+02 9.66063e+02 5.06621e+03 6.99192e+01 1.80803e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63426e+04 3.74720e+04 -3.88926e+05 2.76577e+03 1.85164e+02 + Potential Pressure (bar) + -3.23898e+05 -4.94937e+03 + + Step Time + 334 334.00000 + + Step Time + 335 335.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.03247e+02 9.56825e+02 5.06595e+03 6.96686e+01 1.80786e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63428e+04 3.74728e+04 -3.88949e+05 2.76502e+03 1.85277e+02 + Potential Pressure (bar) + -3.23979e+05 -4.94819e+03 + + Step Time + 336 336.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.84922e+02 9.69525e+02 5.06518e+03 6.98986e+01 1.80668e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63411e+04 3.74950e+04 -3.89089e+05 2.75565e+03 1.86341e+02 + Potential Pressure (bar) + -3.24015e+05 -4.96319e+03 + + Step Time + 337 337.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.14478e+02 9.56694e+02 5.06485e+03 6.95569e+01 1.80646e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63414e+04 3.74955e+04 -3.89116e+05 2.75508e+03 1.86452e+02 + Potential Pressure (bar) + -3.24125e+05 -4.96173e+03 + + Step Time + 338 338.00000 + + Step Time + 339 339.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.16812e+02 9.60680e+02 5.06466e+03 6.97349e+01 1.80607e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63407e+04 3.75033e+04 -3.89160e+05 2.75176e+03 1.86772e+02 + Potential Pressure (bar) + -3.24159e+05 -4.96485e+03 + + Step Time + 340 340.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27627e+02 9.57105e+02 5.06429e+03 6.94902e+01 1.80577e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63407e+04 3.75071e+04 -3.89201e+05 2.75017e+03 1.87054e+02 + Potential Pressure (bar) + -3.24191e+05 -4.96856e+03 + + Step Time + 341 341.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.36535e+02 9.63458e+02 5.06413e+03 6.97621e+01 1.80537e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63398e+04 3.75158e+04 -3.89245e+05 2.74655e+03 1.87387e+02 + Potential Pressure (bar) + -3.24216e+05 -4.97230e+03 + + Step Time + 342 342.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.54481e+02 9.58530e+02 5.06372e+03 6.94208e+01 1.80510e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63401e+04 3.75187e+04 -3.89286e+05 2.74539e+03 1.87662e+02 + Potential Pressure (bar) + -3.24243e+05 -4.97613e+03 + + Step Time + 343 343.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.77262e+02 9.68701e+02 5.06362e+03 6.98316e+01 1.80468e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63390e+04 3.75287e+04 -3.89330e+05 2.74138e+03 1.88014e+02 + Potential Pressure (bar) + -3.24249e+05 -4.98071e+03 + + Step Time + 344 344.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.09824e+02 9.62277e+02 5.06315e+03 6.93467e+01 1.80445e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63395e+04 3.75303e+04 -3.89370e+05 2.74085e+03 1.88288e+02 + Potential Pressure (bar) + -3.24262e+05 -4.98513e+03 + + Step Time + 345 345.00000 + + Step Time + 346 346.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.01916e+02 9.57676e+02 5.06313e+03 6.96113e+01 1.80415e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63387e+04 3.75354e+04 -3.89393e+05 2.73819e+03 1.88383e+02 + Potential Pressure (bar) + -3.24396e+05 -4.98087e+03 + + Step Time + 347 347.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.56868e+02 9.65095e+02 5.06181e+03 6.91977e+01 1.80283e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63377e+04 3.75607e+04 -3.89580e+05 2.72851e+03 1.89804e+02 + Potential Pressure (bar) + -3.24408e+05 -5.00202e+03 + + Step Time + 348 348.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.18159e+02 9.60381e+02 5.06181e+03 6.95878e+01 1.80239e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63368e+04 3.75676e+04 -3.89607e+05 2.72523e+03 1.89914e+02 + Potential Pressure (bar) + -3.24576e+05 -4.99808e+03 + + Step Time + 349 349.00000 + + Step Time + 350 350.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.34355e+02 9.56858e+02 5.06142e+03 6.93322e+01 1.80213e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63368e+04 3.75716e+04 -3.89649e+05 2.72369e+03 1.90204e+02 + Potential Pressure (bar) + -3.24603e+05 -5.00107e+03 + + Step Time + 351 351.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.39578e+02 9.63364e+02 5.06131e+03 6.96203e+01 1.80175e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63359e+04 3.75805e+04 -3.89691e+05 2.72027e+03 1.90517e+02 + Potential Pressure (bar) + -3.24628e+05 -5.00469e+03 + + Step Time + 352 352.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.65903e+02 9.58700e+02 5.06089e+03 6.92622e+01 1.80150e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63362e+04 3.75835e+04 -3.89732e+05 2.71923e+03 1.90800e+02 + Potential Pressure (bar) + -3.24646e+05 -5.00850e+03 + + Step Time + 353 353.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.84567e+02 9.69121e+02 5.06083e+03 6.97004e+01 1.80111e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63351e+04 3.75937e+04 -3.89774e+05 2.71537e+03 1.91135e+02 + Potential Pressure (bar) + -3.24653e+05 -5.01273e+03 + + Step Time + 354 354.00000 + + Step Time + 355 355.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.02560e+02 9.56083e+02 5.06057e+03 6.94124e+01 1.80093e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63354e+04 3.75939e+04 -3.89794e+05 2.71487e+03 1.91200e+02 + Potential Pressure (bar) + -3.24769e+05 -5.00936e+03 + + Step Time + 356 356.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.33159e+02 9.73127e+02 5.05905e+03 6.96117e+01 1.79892e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63326e+04 3.76389e+04 -3.90065e+05 2.69823e+03 1.93242e+02 + Potential Pressure (bar) + -3.24868e+05 -5.03440e+03 + + Step Time + 357 357.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.12105e+02 9.55467e+02 5.05873e+03 6.92414e+01 1.79863e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63330e+04 3.76389e+04 -3.90087e+05 2.69803e+03 1.93289e+02 + Potential Pressure (bar) + -3.25030e+05 -5.03086e+03 + + Step Time + 358 358.00000 + + Step Time + 359 359.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33461e+02 9.61755e+02 5.05849e+03 6.94473e+01 1.79823e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63322e+04 3.76494e+04 -3.90143e+05 2.69420e+03 1.93704e+02 + Potential Pressure (bar) + -3.25052e+05 -5.03519e+03 + + Step Time + 360 360.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25520e+02 9.55854e+02 5.05818e+03 6.91762e+01 1.79799e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63324e+04 3.76520e+04 -3.90174e+05 2.69330e+03 1.93908e+02 + Potential Pressure (bar) + -3.25096e+05 -5.03681e+03 + + Step Time + 361 361.00000 + + Step Time + 362 362.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.04130e+02 9.56906e+02 5.05809e+03 6.93187e+01 1.79778e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63319e+04 3.76573e+04 -3.90200e+05 2.69125e+03 1.94081e+02 + Potential Pressure (bar) + -3.25139e+05 -5.03725e+03 + + Step Time + 363 363.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.37935e+02 9.56318e+02 5.05753e+03 6.91140e+01 1.79722e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63316e+04 3.76682e+04 -3.90278e+05 2.68754e+03 1.94649e+02 + Potential Pressure (bar) + -3.25178e+05 -5.04405e+03 + + Step Time + 364 364.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.11662e+02 9.58319e+02 5.05745e+03 6.93271e+01 1.79696e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63310e+04 3.76747e+04 -3.90308e+05 2.68508e+03 1.94849e+02 + Potential Pressure (bar) + -3.25228e+05 -5.04481e+03 + + Step Time + 365 365.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.61338e+02 9.57616e+02 5.05698e+03 6.90566e+01 1.79658e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63309e+04 3.76818e+04 -3.90365e+05 2.68289e+03 1.95277e+02 + Potential Pressure (bar) + -3.25232e+05 -5.05093e+03 + + Step Time + 366 366.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30781e+02 9.61222e+02 5.05693e+03 6.93720e+01 1.79630e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63301e+04 3.76897e+04 -3.90398e+05 2.67991e+03 1.95501e+02 + Potential Pressure (bar) + -3.25288e+05 -5.05169e+03 + + Step Time + 367 367.00000 + + Step Time + 368 368.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.08160e+02 9.55112e+02 5.05669e+03 6.91654e+01 1.79611e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63302e+04 3.76918e+04 -3.90422e+05 2.67912e+03 1.95647e+02 + Potential Pressure (bar) + -3.25340e+05 -5.05178e+03 + + Step Time + 369 369.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.51448e+02 9.63756e+02 5.05634e+03 6.93823e+01 1.79555e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63293e+04 3.77068e+04 -3.90500e+05 2.67405e+03 1.96246e+02 + Potential Pressure (bar) + -3.25357e+05 -5.05931e+03 + + Step Time + 370 370.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.19770e+02 9.55234e+02 5.05604e+03 6.90944e+01 1.79533e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63295e+04 3.77086e+04 -3.90527e+05 2.67343e+03 1.96397e+02 + Potential Pressure (bar) + -3.25424e+05 -5.05932e+03 + + Step Time + 371 371.00000 + + Step Time + 372 372.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.09150e+02 9.57513e+02 5.05593e+03 6.92473e+01 1.79510e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63290e+04 3.77150e+04 -3.90558e+05 2.67109e+03 1.96619e+02 + Potential Pressure (bar) + -3.25460e+05 -5.06065e+03 + + Step Time + 373 373.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.31742e+02 9.55631e+02 5.05555e+03 6.90370e+01 1.79474e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63289e+04 3.77216e+04 -3.90608e+05 2.66906e+03 1.96976e+02 + Potential Pressure (bar) + -3.25485e+05 -5.06502e+03 + + Step Time + 374 374.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.20915e+02 9.59398e+02 5.05545e+03 6.92664e+01 1.79449e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63282e+04 3.77292e+04 -3.90642e+05 2.66634e+03 1.97222e+02 + Potential Pressure (bar) + -3.25522e+05 -5.06672e+03 + + Step Time + 375 375.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.54959e+02 9.56858e+02 5.05506e+03 6.89770e+01 1.79419e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63283e+04 3.77342e+04 -3.90686e+05 2.66497e+03 1.97544e+02 + Potential Pressure (bar) + -3.25531e+05 -5.07111e+03 + + Step Time + 376 376.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.47166e+02 9.63076e+02 5.05501e+03 6.93209e+01 1.79392e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63275e+04 3.77431e+04 -3.90722e+05 2.66181e+03 1.97813e+02 + Potential Pressure (bar) + -3.25564e+05 -5.07317e+03 + + Step Time + 377 377.00000 + + Step Time + 378 378.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.05384e+02 9.54871e+02 5.05479e+03 6.90954e+01 1.79374e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63277e+04 3.77444e+04 -3.90743e+05 2.66124e+03 1.97917e+02 + Potential Pressure (bar) + -3.25634e+05 -5.07196e+03 + + Step Time + 379 379.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.74940e+02 9.66077e+02 5.05415e+03 6.93062e+01 1.79286e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63263e+04 3.77687e+04 -3.90873e+05 2.65337e+03 1.98908e+02 + Potential Pressure (bar) + -3.25668e+05 -5.08381e+03 + + Step Time + 380 380.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.14688e+02 9.54660e+02 5.05387e+03 6.89989e+01 1.79262e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63265e+04 3.77698e+04 -3.90896e+05 2.65299e+03 1.99011e+02 + Potential Pressure (bar) + -3.25763e+05 -5.08226e+03 + + Step Time + 381 381.00000 + + Step Time + 382 382.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.17258e+02 9.58381e+02 5.05372e+03 6.91623e+01 1.79236e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63260e+04 3.77780e+04 -3.90936e+05 2.65020e+03 1.99306e+02 + Potential Pressure (bar) + -3.25791e+05 -5.08462e+03 + + Step Time + 383 383.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25675e+02 9.54939e+02 5.05341e+03 6.89425e+01 1.79209e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63260e+04 3.77825e+04 -3.90972e+05 2.64896e+03 1.99559e+02 + Potential Pressure (bar) + -3.25820e+05 -5.08734e+03 + + Step Time + 384 384.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.34061e+02 9.60827e+02 5.05329e+03 6.91903e+01 1.79182e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63253e+04 3.77916e+04 -3.91013e+05 2.64594e+03 1.99866e+02 + Potential Pressure (bar) + -3.25841e+05 -5.09029e+03 + + Step Time + 385 385.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.48183e+02 9.56053e+02 5.05294e+03 6.88816e+01 1.79156e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63255e+04 3.77951e+04 -3.91048e+05 2.64507e+03 2.00114e+02 + Potential Pressure (bar) + -3.25865e+05 -5.09307e+03 + + Step Time + 386 386.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.68713e+02 9.65401e+02 5.05288e+03 6.92555e+01 1.79130e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63247e+04 3.78053e+04 -3.91089e+05 2.64174e+03 2.00437e+02 + Potential Pressure (bar) + -3.25869e+05 -5.09674e+03 + + Step Time + 387 387.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.94694e+02 9.59094e+02 5.05248e+03 6.88169e+01 1.79104e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63250e+04 3.78077e+04 -3.91124e+05 2.64139e+03 2.00682e+02 + Potential Pressure (bar) + -3.25883e+05 -5.10003e+03 + + Step Time + 388 388.00000 + + Step Time + 389 389.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.04480e+02 9.55715e+02 5.05247e+03 6.90584e+01 1.79085e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63245e+04 3.78129e+04 -3.91144e+05 2.63914e+03 2.00777e+02 + Potential Pressure (bar) + -3.25994e+05 -5.09635e+03 + + Step Time + 390 390.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.34551e+02 9.61425e+02 5.05142e+03 6.86920e+01 1.78981e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63237e+04 3.78392e+04 -3.91306e+05 2.63164e+03 2.02018e+02 + Potential Pressure (bar) + -3.26003e+05 -5.11240e+03 + + Step Time + 391 391.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.18405e+02 9.58146e+02 5.05145e+03 6.90494e+01 1.78954e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63230e+04 3.78462e+04 -3.91331e+05 2.62884e+03 2.02129e+02 + Potential Pressure (bar) + -3.26144e+05 -5.10894e+03 + + Step Time + 392 392.00000 + + Step Time + 393 393.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.31417e+02 9.54718e+02 5.05112e+03 6.88170e+01 1.78929e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63230e+04 3.78508e+04 -3.91368e+05 2.62761e+03 2.02390e+02 + Potential Pressure (bar) + -3.26169e+05 -5.11109e+03 + + Step Time + 394 394.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.36721e+02 9.60770e+02 5.05104e+03 6.90806e+01 1.78904e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63224e+04 3.78598e+04 -3.91406e+05 2.62474e+03 2.02680e+02 + Potential Pressure (bar) + -3.26190e+05 -5.11395e+03 + + Step Time + 395 395.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.57982e+02 9.56194e+02 5.05068e+03 6.87557e+01 1.78879e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63226e+04 3.78634e+04 -3.91442e+05 2.62395e+03 2.02935e+02 + Potential Pressure (bar) + -3.26206e+05 -5.11677e+03 + + Step Time + 396 396.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.75106e+02 9.65803e+02 5.05066e+03 6.91555e+01 1.78856e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63217e+04 3.78737e+04 -3.91481e+05 2.62070e+03 2.03245e+02 + Potential Pressure (bar) + -3.26212e+05 -5.12021e+03 + + Step Time + 397 397.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.12372e+02 9.59941e+02 5.05024e+03 6.86912e+01 1.78830e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63221e+04 3.78761e+04 -3.91515e+05 2.62049e+03 2.03497e+02 + Potential Pressure (bar) + -3.26214e+05 -5.12385e+03 + + Step Time + 398 398.00000 + + Step Time + 399 399.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.04794e+02 9.55255e+02 5.05025e+03 6.89472e+01 1.78812e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63216e+04 3.78813e+04 -3.91535e+05 2.61821e+03 2.03574e+02 + Potential Pressure (bar) + -3.26343e+05 -5.11919e+03 + + Step Time + 400 400.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.57942e+02 9.62651e+02 5.04908e+03 6.85492e+01 1.78696e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63207e+04 3.79132e+04 -3.91722e+05 2.60959e+03 2.05024e+02 + Potential Pressure (bar) + -3.26348e+05 -5.13725e+03 + + Step Time + 401 401.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.19764e+02 9.57823e+02 5.04912e+03 6.89256e+01 1.78668e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63200e+04 3.79203e+04 -3.91747e+05 2.60673e+03 2.05114e+02 + Potential Pressure (bar) + -3.26512e+05 -5.13295e+03 + + Step Time + 402 402.00000 + + Step Time + 403 403.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.37948e+02 9.54594e+02 5.04879e+03 6.86843e+01 1.78643e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63200e+04 3.79251e+04 -3.91784e+05 2.60561e+03 2.05385e+02 + Potential Pressure (bar) + -3.26532e+05 -5.13515e+03 + + Step Time + 404 404.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.39844e+02 9.60715e+02 5.04874e+03 6.89655e+01 1.78621e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63193e+04 3.79341e+04 -3.91821e+05 2.60282e+03 2.05659e+02 + Potential Pressure (bar) + -3.26554e+05 -5.13764e+03 + + Step Time + 405 405.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.69125e+02 9.56468e+02 5.04838e+03 6.86233e+01 1.78595e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63195e+04 3.79379e+04 -3.91856e+05 2.60214e+03 2.05921e+02 + Potential Pressure (bar) + -3.26562e+05 -5.14071e+03 + + Step Time + 406 406.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.82493e+02 9.66289e+02 5.04837e+03 6.90512e+01 1.78577e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63187e+04 3.79482e+04 -3.91894e+05 2.59896e+03 2.06217e+02 + Potential Pressure (bar) + -3.26570e+05 -5.14382e+03 + + Step Time + 407 407.00000 + + Step Time + 408 408.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.06026e+02 9.53812e+02 5.04815e+03 6.87736e+01 1.78556e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63189e+04 3.79488e+04 -3.91910e+05 2.59861e+03 2.06274e+02 + Potential Pressure (bar) + -3.26676e+05 -5.14030e+03 + + Step Time + 409 409.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.27968e+02 9.70269e+02 5.04722e+03 6.90024e+01 1.78441e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63171e+04 3.79891e+04 -3.92112e+05 2.58735e+03 2.07836e+02 + Potential Pressure (bar) + -3.26711e+05 -5.15729e+03 + + Step Time + 410 410.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.16206e+02 9.53390e+02 5.04694e+03 6.86402e+01 1.78408e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63174e+04 3.79895e+04 -3.92131e+05 2.58723e+03 2.07877e+02 + Potential Pressure (bar) + -3.26860e+05 -5.15346e+03 + + Step Time + 411 411.00000 + + Step Time + 412 412.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33431e+02 9.59225e+02 5.04679e+03 6.88448e+01 1.78386e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63168e+04 3.79997e+04 -3.92177e+05 2.58426e+03 2.08229e+02 + Potential Pressure (bar) + -3.26875e+05 -5.15641e+03 + + Step Time + 413 413.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30033e+02 9.53845e+02 5.04652e+03 6.85846e+01 1.78360e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63170e+04 3.80030e+04 -3.92205e+05 2.58360e+03 2.08423e+02 + Potential Pressure (bar) + -3.26911e+05 -5.15776e+03 + + Step Time + 414 414.00000 + + Step Time + 415 415.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.06508e+02 9.54649e+02 5.04648e+03 6.87249e+01 1.78348e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63166e+04 3.80082e+04 -3.92227e+05 2.58192e+03 2.08570e+02 + Potential Pressure (bar) + -3.26952e+05 -5.15755e+03 + + Step Time + 416 416.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.42602e+02 9.54342e+02 5.04597e+03 6.85228e+01 1.78296e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63163e+04 3.80220e+04 -3.92307e+05 2.57848e+03 2.09166e+02 + Potential Pressure (bar) + -3.26986e+05 -5.16350e+03 + + Step Time + 417 417.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.13233e+02 9.55996e+02 5.04594e+03 6.87314e+01 1.78281e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63158e+04 3.80284e+04 -3.92332e+05 2.57642e+03 2.09337e+02 + Potential Pressure (bar) + -3.27035e+05 -5.16351e+03 + + Step Time + 418 418.00000 + + Step Time + 419 419.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.11330e+02 9.53117e+02 5.04573e+03 6.85932e+01 1.78261e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63158e+04 3.80324e+04 -3.92359e+05 2.57544e+03 2.09527e+02 + Potential Pressure (bar) + -3.27065e+05 -5.16462e+03 + + Step Time + 420 420.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21223e+02 9.57229e+02 5.04556e+03 6.87399e+01 1.78235e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63153e+04 3.80427e+04 -3.92406e+05 2.57260e+03 2.09878e+02 + Potential Pressure (bar) + -3.27090e+05 -5.16773e+03 + + Step Time + 421 421.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.18788e+02 9.53178e+02 5.04532e+03 6.85463e+01 1.78212e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63153e+04 3.80464e+04 -3.92434e+05 2.57174e+03 2.10071e+02 + Potential Pressure (bar) + -3.27122e+05 -5.16891e+03 + + Step Time + 422 422.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.36861e+02 9.59461e+02 5.04520e+03 6.87682e+01 1.78191e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63147e+04 3.80568e+04 -3.92478e+05 2.56885e+03 2.10411e+02 + Potential Pressure (bar) + -3.27135e+05 -5.17224e+03 + + Step Time + 423 423.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.34891e+02 9.53809e+02 5.04492e+03 6.84950e+01 1.78165e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63149e+04 3.80600e+04 -3.92506e+05 2.56822e+03 2.10606e+02 + Potential Pressure (bar) + -3.27168e+05 -5.17347e+03 + + Step Time + 424 424.00000 + + Step Time + 425 425.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.06925e+02 9.54401e+02 5.04489e+03 6.86456e+01 1.78154e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63145e+04 3.80652e+04 -3.92527e+05 2.56658e+03 2.10745e+02 + Potential Pressure (bar) + -3.27214e+05 -5.17304e+03 + + Step Time + 426 426.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.49412e+02 9.54443e+02 5.04436e+03 6.84342e+01 1.78099e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63142e+04 3.80801e+04 -3.92611e+05 2.56297e+03 2.11379e+02 + Potential Pressure (bar) + -3.27245e+05 -5.17948e+03 + + Step Time + 427 427.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.14283e+02 9.55852e+02 5.04434e+03 6.86572e+01 1.78086e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63138e+04 3.80866e+04 -3.92636e+05 2.56094e+03 2.11542e+02 + Potential Pressure (bar) + -3.27299e+05 -5.17913e+03 + + Step Time + 428 428.00000 + + Step Time + 429 429.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.13116e+02 9.52859e+02 5.04413e+03 6.85098e+01 1.78065e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63137e+04 3.80907e+04 -3.92663e+05 2.55997e+03 2.11734e+02 + Potential Pressure (bar) + -3.27328e+05 -5.18022e+03 + + Step Time + 430 430.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23101e+02 9.57203e+02 5.04398e+03 6.86670e+01 1.78042e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63133e+04 3.81007e+04 -3.92707e+05 2.55727e+03 2.12068e+02 + Potential Pressure (bar) + -3.27351e+05 -5.18314e+03 + + Step Time + 431 431.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21892e+02 9.53010e+02 5.04374e+03 6.84619e+01 1.78019e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63133e+04 3.81045e+04 -3.92735e+05 2.55645e+03 2.12263e+02 + Potential Pressure (bar) + -3.27382e+05 -5.18434e+03 + + Step Time + 432 432.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.40506e+02 9.59671e+02 5.04364e+03 6.87008e+01 1.78001e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63128e+04 3.81148e+04 -3.92778e+05 2.55367e+03 2.12591e+02 + Potential Pressure (bar) + -3.27392e+05 -5.18753e+03 + + Step Time + 433 433.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.40687e+02 9.53849e+02 5.04335e+03 6.84104e+01 1.77974e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63129e+04 3.81180e+04 -3.92806e+05 2.55311e+03 2.12787e+02 + Potential Pressure (bar) + -3.27423e+05 -5.18880e+03 + + Step Time + 434 434.00000 + + Step Time + 435 435.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.07303e+02 9.54147e+02 5.04333e+03 6.85707e+01 1.77964e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63126e+04 3.81231e+04 -3.92826e+05 2.55146e+03 2.12919e+02 + Potential Pressure (bar) + -3.27473e+05 -5.18801e+03 + + Step Time + 436 436.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.57523e+02 9.54651e+02 5.04277e+03 6.83441e+01 1.77906e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63122e+04 3.81394e+04 -3.92916e+05 2.54769e+03 2.13601e+02 + Potential Pressure (bar) + -3.27500e+05 -5.19495e+03 + + Step Time + 437 437.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.15294e+02 9.55709e+02 5.04277e+03 6.85820e+01 1.77894e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63118e+04 3.81460e+04 -3.92940e+05 2.54563e+03 2.13755e+02 + Potential Pressure (bar) + -3.27561e+05 -5.19422e+03 + + Step Time + 438 438.00000 + + Step Time + 439 439.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.15261e+02 9.52627e+02 5.04255e+03 6.84248e+01 1.77873e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63117e+04 3.81502e+04 -3.92968e+05 2.54469e+03 2.13953e+02 + Potential Pressure (bar) + -3.27589e+05 -5.19530e+03 + + Step Time + 440 440.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25004e+02 9.57187e+02 5.04243e+03 6.85959e+01 1.77853e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63113e+04 3.81600e+04 -3.93009e+05 2.54212e+03 2.14269e+02 + Potential Pressure (bar) + -3.27610e+05 -5.19803e+03 + + Step Time + 441 441.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25623e+02 9.52894e+02 5.04218e+03 6.83773e+01 1.77829e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63113e+04 3.81638e+04 -3.93037e+05 2.54135e+03 2.14467e+02 + Potential Pressure (bar) + -3.27639e+05 -5.19923e+03 + + Step Time + 442 442.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.44354e+02 9.59907e+02 5.04210e+03 6.86350e+01 1.77813e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63108e+04 3.81740e+04 -3.93078e+05 2.53864e+03 2.14783e+02 + Potential Pressure (bar) + -3.27646e+05 -5.20231e+03 + + Step Time + 443 443.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.47631e+02 9.53990e+02 5.04181e+03 6.83250e+01 1.77785e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63109e+04 3.81772e+04 -3.93106e+05 2.53815e+03 2.14982e+02 + Potential Pressure (bar) + -3.27675e+05 -5.20368e+03 + + Step Time + 444 444.00000 + + Step Time + 445 445.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.07639e+02 9.53884e+02 5.04179e+03 6.84965e+01 1.77777e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63106e+04 3.81824e+04 -3.93126e+05 2.53651e+03 2.15104e+02 + Potential Pressure (bar) + -3.27731e+05 -5.20244e+03 + + Step Time + 446 446.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.67174e+02 9.54993e+02 5.04121e+03 6.82546e+01 1.77715e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63103e+04 3.82005e+04 -3.93222e+05 2.53246e+03 2.15850e+02 + Potential Pressure (bar) + -3.27754e+05 -5.21003e+03 + + Step Time + 447 447.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.16263e+02 9.55566e+02 5.04121e+03 6.85094e+01 1.77704e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63098e+04 3.82071e+04 -3.93246e+05 2.53041e+03 2.15995e+02 + Potential Pressure (bar) + -3.27824e+05 -5.20888e+03 + + Step Time + 448 448.00000 + + Step Time + 449 449.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.17854e+02 9.52432e+02 5.04098e+03 6.83435e+01 1.77682e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63098e+04 3.82115e+04 -3.93274e+05 2.52946e+03 2.16198e+02 + Potential Pressure (bar) + -3.27851e+05 -5.20998e+03 + + Step Time + 450 450.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26921e+02 9.57182e+02 5.04088e+03 6.85275e+01 1.77665e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63093e+04 3.82210e+04 -3.93314e+05 2.52701e+03 2.16496e+02 + Potential Pressure (bar) + -3.27870e+05 -5.21252e+03 + + Step Time + 451 451.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30125e+02 9.52847e+02 5.04063e+03 6.82963e+01 1.77640e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63094e+04 3.82250e+04 -3.93342e+05 2.52627e+03 2.16700e+02 + Potential Pressure (bar) + -3.27896e+05 -5.21380e+03 + + Step Time + 452 452.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.48416e+02 9.60175e+02 5.04057e+03 6.85720e+01 1.77628e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63089e+04 3.82351e+04 -3.93381e+05 2.52365e+03 2.17004e+02 + Potential Pressure (bar) + -3.27902e+05 -5.21672e+03 + + Step Time + 453 453.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.55934e+02 9.54260e+02 5.04027e+03 6.82428e+01 1.77598e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63090e+04 3.82382e+04 -3.93408e+05 2.52324e+03 2.17205e+02 + Potential Pressure (bar) + -3.27926e+05 -5.21824e+03 + + Step Time + 454 454.00000 + + Step Time + 455 455.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.07929e+02 9.53628e+02 5.04026e+03 6.84262e+01 1.77591e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63087e+04 3.82434e+04 -3.93427e+05 2.52158e+03 2.17318e+02 + Potential Pressure (bar) + -3.27990e+05 -5.21650e+03 + + Step Time + 456 456.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.78628e+02 9.55477e+02 5.03962e+03 6.81667e+01 1.77524e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63083e+04 3.82639e+04 -3.93534e+05 2.51716e+03 2.18148e+02 + Potential Pressure (bar) + -3.28010e+05 -5.22492e+03 + + Step Time + 457 457.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.17201e+02 9.55424e+02 5.03964e+03 6.84378e+01 1.77514e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63079e+04 3.82706e+04 -3.93558e+05 2.51508e+03 2.18281e+02 + Potential Pressure (bar) + -3.28090e+05 -5.22325e+03 + + Step Time + 458 458.00000 + + Step Time + 459 459.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.20970e+02 9.52282e+02 5.03941e+03 6.82617e+01 1.77491e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63079e+04 3.82752e+04 -3.93586e+05 2.51412e+03 2.18492e+02 + Potential Pressure (bar) + -3.28115e+05 -5.22438e+03 + + Step Time + 460 460.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28880e+02 9.57194e+02 5.03933e+03 6.84591e+01 1.77477e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63074e+04 3.82845e+04 -3.93624e+05 2.51180e+03 2.18774e+02 + Potential Pressure (bar) + -3.28132e+05 -5.22670e+03 + + Step Time + 461 461.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.35516e+02 9.52873e+02 5.03906e+03 6.82137e+01 1.77451e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63075e+04 3.82886e+04 -3.93651e+05 2.51110e+03 2.18983e+02 + Potential Pressure (bar) + -3.28155e+05 -5.22810e+03 + + Step Time + 462 462.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.52729e+02 9.60490e+02 5.03902e+03 6.85113e+01 1.77442e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63070e+04 3.82986e+04 -3.93689e+05 2.50856e+03 2.19275e+02 + Potential Pressure (bar) + -3.28160e+05 -5.23083e+03 + + Step Time + 463 463.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.65818e+02 9.54661e+02 5.03871e+03 6.81622e+01 1.77411e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63072e+04 3.83018e+04 -3.93717e+05 2.50821e+03 2.19481e+02 + Potential Pressure (bar) + -3.28179e+05 -5.23256e+03 + + Step Time + 464 464.00000 + + Step Time + 465 465.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.08198e+02 9.53369e+02 5.03872e+03 6.83576e+01 1.77405e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63069e+04 3.83069e+04 -3.93735e+05 2.50655e+03 2.19582e+02 + Potential Pressure (bar) + -3.28253e+05 -5.23027e+03 + + Step Time + 466 466.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.92131e+02 9.56136e+02 5.03801e+03 6.80773e+01 1.77331e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63064e+04 3.83306e+04 -3.93855e+05 2.50158e+03 2.20522e+02 + Potential Pressure (bar) + -3.28268e+05 -5.23965e+03 + + Step Time + 467 467.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.18139e+02 9.55283e+02 5.03803e+03 6.83670e+01 1.77322e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63060e+04 3.83374e+04 -3.93878e+05 2.49949e+03 2.20642e+02 + Potential Pressure (bar) + -3.28361e+05 -5.23744e+03 + + Step Time + 468 468.00000 + + Step Time + 469 469.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24694e+02 9.52178e+02 5.03780e+03 6.81810e+01 1.77298e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63060e+04 3.83422e+04 -3.93907e+05 2.49856e+03 2.20862e+02 + Potential Pressure (bar) + -3.28384e+05 -5.23864e+03 + + Step Time + 470 470.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30937e+02 9.57219e+02 5.03773e+03 6.83930e+01 1.77287e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63056e+04 3.83513e+04 -3.93943e+05 2.49632e+03 2.21128e+02 + Potential Pressure (bar) + -3.28401e+05 -5.24073e+03 + + Step Time + 471 471.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.41912e+02 9.52985e+02 5.03746e+03 6.81328e+01 1.77260e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63057e+04 3.83554e+04 -3.93971e+05 2.49566e+03 2.21343e+02 + Potential Pressure (bar) + -3.28420e+05 -5.24227e+03 + + Step Time + 472 472.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.57411e+02 9.60855e+02 5.03744e+03 6.84517e+01 1.77253e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63052e+04 3.83655e+04 -3.94007e+05 2.49316e+03 2.21624e+02 + Potential Pressure (bar) + -3.28425e+05 -5.24481e+03 + + Step Time + 473 473.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.77472e+02 9.55228e+02 5.03712e+03 6.80816e+01 1.77221e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63054e+04 3.83686e+04 -3.94035e+05 2.49290e+03 2.21835e+02 + Potential Pressure (bar) + -3.28436e+05 -5.24682e+03 + + Step Time + 474 474.00000 + + Step Time + 475 475.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.08460e+02 9.53115e+02 5.03713e+03 6.82893e+01 1.77216e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63051e+04 3.83738e+04 -3.94053e+05 2.49121e+03 2.21925e+02 + Potential Pressure (bar) + -3.28522e+05 -5.24385e+03 + + Step Time + 476 476.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.07897e+02 9.56982e+02 5.03633e+03 6.79876e+01 1.77134e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63045e+04 3.84015e+04 -3.94189e+05 2.48556e+03 2.23005e+02 + Potential Pressure (bar) + -3.28534e+05 -5.25448e+03 + + Step Time + 477 477.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.19122e+02 9.55140e+02 5.03637e+03 6.82958e+01 1.77125e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63041e+04 3.84084e+04 -3.94211e+05 2.48343e+03 2.23111e+02 + Potential Pressure (bar) + -3.28642e+05 -5.25165e+03 + + Step Time + 478 478.00000 + + Step Time + 479 479.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29098e+02 9.52123e+02 5.03612e+03 6.81006e+01 1.77101e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63041e+04 3.84135e+04 -3.94242e+05 2.48251e+03 2.23339e+02 + Potential Pressure (bar) + -3.28662e+05 -5.25289e+03 + + Step Time + 480 480.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33150e+02 9.57270e+02 5.03607e+03 6.83282e+01 1.77092e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63037e+04 3.84224e+04 -3.94275e+05 2.48034e+03 2.23592e+02 + Potential Pressure (bar) + -3.28679e+05 -5.25476e+03 + + Step Time + 481 481.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.49451e+02 9.53194e+02 5.03579e+03 6.80529e+01 1.77064e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63038e+04 3.84267e+04 -3.94304e+05 2.47975e+03 2.23813e+02 + Potential Pressure (bar) + -3.28693e+05 -5.25650e+03 + + Step Time + 482 482.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.62563e+02 9.61285e+02 5.03579e+03 6.83958e+01 1.77061e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63034e+04 3.84367e+04 -3.94339e+05 2.47728e+03 2.24083e+02 + Potential Pressure (bar) + -3.28699e+05 -5.25882e+03 + + Step Time + 483 483.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.91146e+02 9.55978e+02 5.03546e+03 6.80023e+01 1.77026e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63036e+04 3.84397e+04 -3.94366e+05 2.47710e+03 2.24301e+02 + Potential Pressure (bar) + -3.28700e+05 -5.26117e+03 + + Step Time + 484 484.00000 + + Step Time + 485 485.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.08747e+02 9.52862e+02 5.03548e+03 6.82238e+01 1.77022e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63033e+04 3.84449e+04 -3.94384e+05 2.47540e+03 2.24377e+02 + Potential Pressure (bar) + -3.28800e+05 -5.25744e+03 + + Step Time + 486 486.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.26166e+02 9.58035e+02 5.03457e+03 6.78966e+01 1.76931e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63027e+04 3.84781e+04 -3.94541e+05 2.46879e+03 2.25640e+02 + Potential Pressure (bar) + -3.28810e+05 -5.26947e+03 + + Step Time + 487 487.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.20219e+02 9.55010e+02 5.03461e+03 6.82232e+01 1.76921e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63023e+04 3.84851e+04 -3.94564e+05 2.46665e+03 2.25730e+02 + Potential Pressure (bar) + -3.28937e+05 -5.26602e+03 + + Step Time + 488 488.00000 + + Step Time + 489 489.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.34215e+02 9.52132e+02 5.03435e+03 6.80195e+01 1.76896e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63023e+04 3.84903e+04 -3.94595e+05 2.46575e+03 2.25967e+02 + Potential Pressure (bar) + -3.28953e+05 -5.26734e+03 + + Step Time + 490 490.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.35640e+02 9.57349e+02 5.03432e+03 6.82628e+01 1.76890e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63019e+04 3.84991e+04 -3.94626e+05 2.46365e+03 2.26207e+02 + Potential Pressure (bar) + -3.28971e+05 -5.26897e+03 + + Step Time + 491 491.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.58175e+02 9.53514e+02 5.03403e+03 6.79730e+01 1.76860e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63020e+04 3.85034e+04 -3.94655e+05 2.46310e+03 2.26434e+02 + Potential Pressure (bar) + -3.28978e+05 -5.27092e+03 + + Step Time + 492 492.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.68398e+02 9.61791e+02 5.03404e+03 6.83407e+01 1.76860e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63015e+04 3.85134e+04 -3.94689e+05 2.46068e+03 2.26693e+02 + Potential Pressure (bar) + -3.28985e+05 -5.27302e+03 + + Step Time + 493 493.00000 + + Step Time + 494 494.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.09738e+02 9.51760e+02 5.03386e+03 6.81064e+01 1.76837e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63017e+04 3.85145e+04 -3.94702e+05 2.46040e+03 2.26749e+02 + Potential Pressure (bar) + -3.29067e+05 -5.27012e+03 + + Step Time + 495 495.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.03514e+02 9.65057e+02 5.03315e+03 6.83188e+01 1.76767e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63006e+04 3.85546e+04 -3.94872e+05 2.45190e+03 2.28092e+02 + Potential Pressure (bar) + -3.29099e+05 -5.28134e+03 + + Step Time + 496 496.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.17636e+02 9.51408e+02 5.03291e+03 6.80102e+01 1.76730e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63008e+04 3.85554e+04 -3.94887e+05 2.45178e+03 2.28136e+02 + Potential Pressure (bar) + -3.29214e+05 -5.27820e+03 + + Step Time + 497 497.00000 + + Step Time + 498 498.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30873e+02 9.56282e+02 5.03280e+03 6.81910e+01 1.76721e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63004e+04 3.85656e+04 -3.94927e+05 2.44951e+03 2.28442e+02 + Potential Pressure (bar) + -3.29227e+05 -5.28006e+03 + + Step Time + 499 499.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28346e+02 9.51721e+02 5.03257e+03 6.79696e+01 1.76694e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63005e+04 3.85692e+04 -3.94950e+05 2.44895e+03 2.28613e+02 + Potential Pressure (bar) + -3.29255e+05 -5.28083e+03 + + Step Time + 500 500.00000 + + Step Time + 501 501.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.10133e+02 9.52588e+02 5.03254e+03 6.80926e+01 1.76690e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63003e+04 3.85743e+04 -3.94969e+05 2.44768e+03 2.28744e+02 + Potential Pressure (bar) + -3.29288e+05 -5.28052e+03 + + Step Time + 502 502.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.38095e+02 9.52093e+02 5.03212e+03 6.79279e+01 1.76646e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.63001e+04 3.85886e+04 -3.95037e+05 2.44495e+03 2.29270e+02 + Potential Pressure (bar) + -3.29317e+05 -5.28443e+03 + + Step Time + 503 503.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.15337e+02 9.53728e+02 5.03210e+03 6.81100e+01 1.76642e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62999e+04 3.85949e+04 -3.95060e+05 2.44338e+03 2.29422e+02 + Potential Pressure (bar) + -3.29356e+05 -5.28427e+03 + + Step Time + 504 504.00000 + + Step Time + 505 505.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.13908e+02 9.51291e+02 5.03192e+03 6.79930e+01 1.76623e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62999e+04 3.85991e+04 -3.95082e+05 2.44259e+03 2.29589e+02 + Potential Pressure (bar) + -3.29379e+05 -5.28486e+03 + + Step Time + 506 506.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21521e+02 9.54751e+02 5.03179e+03 6.81243e+01 1.76610e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62996e+04 3.86091e+04 -3.95122e+05 2.44041e+03 2.29894e+02 + Potential Pressure (bar) + -3.29401e+05 -5.28692e+03 + + Step Time + 507 507.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.19714e+02 9.51320e+02 5.03159e+03 6.79604e+01 1.76587e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62996e+04 3.86132e+04 -3.95145e+05 2.43972e+03 2.30065e+02 + Potential Pressure (bar) + -3.29426e+05 -5.28757e+03 + + Step Time + 508 508.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33641e+02 9.56573e+02 5.03150e+03 6.81546e+01 1.76579e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62993e+04 3.86233e+04 -3.95184e+05 2.43750e+03 2.30361e+02 + Potential Pressure (bar) + -3.29438e+05 -5.28981e+03 + + Step Time + 509 509.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.32231e+02 9.51772e+02 5.03126e+03 6.79213e+01 1.76552e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62993e+04 3.86268e+04 -3.95207e+05 2.43698e+03 2.30532e+02 + Potential Pressure (bar) + -3.29464e+05 -5.29048e+03 + + Step Time + 510 510.00000 + + Step Time + 511 511.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.10491e+02 9.52482e+02 5.03124e+03 6.80541e+01 1.76549e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62991e+04 3.86319e+04 -3.95226e+05 2.43571e+03 2.30656e+02 + Potential Pressure (bar) + -3.29500e+05 -5.29000e+03 + + Step Time + 512 512.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.43546e+02 9.52254e+02 5.03079e+03 6.78789e+01 1.76502e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62990e+04 3.86471e+04 -3.95297e+05 2.43284e+03 2.31216e+02 + Potential Pressure (bar) + -3.29527e+05 -5.29430e+03 + + Step Time + 513 513.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.16203e+02 9.53707e+02 5.03077e+03 6.80744e+01 1.76500e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62987e+04 3.86535e+04 -3.95319e+05 2.43127e+03 2.31362e+02 + Potential Pressure (bar) + -3.29570e+05 -5.29389e+03 + + Step Time + 514 514.00000 + + Step Time + 515 515.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.15355e+02 9.51169e+02 5.03059e+03 6.79498e+01 1.76480e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62987e+04 3.86578e+04 -3.95342e+05 2.43049e+03 2.31532e+02 + Potential Pressure (bar) + -3.29594e+05 -5.29449e+03 + + Step Time + 516 516.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23052e+02 9.54821e+02 5.03047e+03 6.80899e+01 1.76469e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62984e+04 3.86675e+04 -3.95380e+05 2.42841e+03 2.31821e+02 + Potential Pressure (bar) + -3.29613e+05 -5.29645e+03 + + Step Time + 517 517.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22214e+02 9.51263e+02 5.03026e+03 6.79156e+01 1.76446e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62985e+04 3.86715e+04 -3.95403e+05 2.42771e+03 2.31993e+02 + Potential Pressure (bar) + -3.29637e+05 -5.29713e+03 + + Step Time + 518 518.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.36582e+02 9.56829e+02 5.03018e+03 6.81250e+01 1.76440e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62982e+04 3.86814e+04 -3.95440e+05 2.42559e+03 2.32279e+02 + Potential Pressure (bar) + -3.29646e+05 -5.29933e+03 + + Step Time + 519 519.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.36889e+02 9.51881e+02 5.02994e+03 6.78769e+01 1.76411e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62982e+04 3.86849e+04 -3.95463e+05 2.42509e+03 2.32451e+02 + Potential Pressure (bar) + -3.29672e+05 -5.30007e+03 + + Step Time + 520 520.00000 + + Step Time + 521 521.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.10821e+02 9.52361e+02 5.02992e+03 6.80182e+01 1.76410e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62981e+04 3.86900e+04 -3.95481e+05 2.42382e+03 2.32568e+02 + Potential Pressure (bar) + -3.29711e+05 -5.29930e+03 + + Step Time + 522 522.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.50058e+02 9.52492e+02 5.02943e+03 6.78295e+01 1.76360e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62979e+04 3.87065e+04 -3.95558e+05 2.42075e+03 2.33172e+02 + Potential Pressure (bar) + -3.29736e+05 -5.30404e+03 + + Step Time + 523 523.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.17040e+02 9.53676e+02 5.02943e+03 6.80384e+01 1.76359e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62976e+04 3.87129e+04 -3.95580e+05 2.41917e+03 2.33310e+02 + Potential Pressure (bar) + -3.29785e+05 -5.30334e+03 + + Step Time + 524 524.00000 + + Step Time + 525 525.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.17103e+02 9.51063e+02 5.02924e+03 6.79064e+01 1.76339e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62976e+04 3.87173e+04 -3.95603e+05 2.41839e+03 2.33484e+02 + Potential Pressure (bar) + -3.29808e+05 -5.30398e+03 + + Step Time + 526 526.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24595e+02 9.54898e+02 5.02914e+03 6.80573e+01 1.76331e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62974e+04 3.87267e+04 -3.95639e+05 2.41642e+03 2.33758e+02 + Potential Pressure (bar) + -3.29825e+05 -5.30580e+03 + + Step Time + 527 527.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25234e+02 9.51250e+02 5.02892e+03 6.78718e+01 1.76306e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62974e+04 3.87307e+04 -3.95662e+05 2.41575e+03 2.33934e+02 + Potential Pressure (bar) + -3.29848e+05 -5.30653e+03 + + Step Time + 528 528.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.39673e+02 9.57107e+02 5.02885e+03 6.80964e+01 1.76303e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62971e+04 3.87405e+04 -3.95698e+05 2.41366e+03 2.34208e+02 + Potential Pressure (bar) + -3.29855e+05 -5.30866e+03 + + Step Time + 529 529.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.42481e+02 9.52066e+02 5.02859e+03 6.78321e+01 1.76273e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62972e+04 3.87438e+04 -3.95721e+05 2.41321e+03 2.34382e+02 + Potential Pressure (bar) + -3.29878e+05 -5.30950e+03 + + Step Time + 530 530.00000 + + Step Time + 531 531.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.11122e+02 9.52235e+02 5.02858e+03 6.79828e+01 1.76272e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62970e+04 3.87489e+04 -3.95738e+05 2.41194e+03 2.34491e+02 + Potential Pressure (bar) + -3.29923e+05 -5.30841e+03 + + Step Time + 532 532.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.57816e+02 9.52836e+02 5.02805e+03 6.77832e+01 1.76220e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62969e+04 3.87672e+04 -3.95822e+05 2.40860e+03 2.35153e+02 + Potential Pressure (bar) + -3.29946e+05 -5.31371e+03 + + Step Time + 533 533.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.17847e+02 9.53650e+02 5.02805e+03 6.80061e+01 1.76220e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62966e+04 3.87735e+04 -3.95844e+05 2.40701e+03 2.35282e+02 + Potential Pressure (bar) + -3.30002e+05 -5.31269e+03 + + Step Time + 534 534.00000 + + Step Time + 535 535.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.19215e+02 9.50987e+02 5.02786e+03 6.78653e+01 1.76199e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62966e+04 3.87780e+04 -3.95867e+05 2.40622e+03 2.35462e+02 + Potential Pressure (bar) + -3.30023e+05 -5.31333e+03 + + Step Time + 536 536.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26161e+02 9.54980e+02 5.02777e+03 6.80278e+01 1.76193e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62964e+04 3.87871e+04 -3.95901e+05 2.40432e+03 2.35720e+02 + Potential Pressure (bar) + -3.30039e+05 -5.31507e+03 + + Step Time + 537 537.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28876e+02 9.51288e+02 5.02754e+03 6.78301e+01 1.76167e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62964e+04 3.87912e+04 -3.95925e+05 2.40367e+03 2.35898e+02 + Potential Pressure (bar) + -3.30060e+05 -5.31588e+03 + + Step Time + 538 538.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.42943e+02 9.57417e+02 5.02749e+03 6.80724e+01 1.76167e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62962e+04 3.88008e+04 -3.95959e+05 2.40164e+03 2.36162e+02 + Potential Pressure (bar) + -3.30066e+05 -5.31792e+03 + + Step Time + 539 539.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.49170e+02 9.52351e+02 5.02722e+03 6.77910e+01 1.76135e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62963e+04 3.88042e+04 -3.95982e+05 2.40120e+03 2.36339e+02 + Potential Pressure (bar) + -3.30086e+05 -5.31887e+03 + + Step Time + 540 540.00000 + + Step Time + 541 541.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.11393e+02 9.52113e+02 5.02721e+03 6.79517e+01 1.76136e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62961e+04 3.88092e+04 -3.95999e+05 2.39994e+03 2.36439e+02 + Potential Pressure (bar) + -3.30137e+05 -5.31746e+03 + + Step Time + 542 542.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.67037e+02 9.53291e+02 5.02663e+03 6.77377e+01 1.76079e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62959e+04 3.88298e+04 -3.96092e+05 2.39621e+03 2.37178e+02 + Potential Pressure (bar) + -3.30157e+05 -5.32341e+03 + + Step Time + 543 543.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.18627e+02 9.53620e+02 5.02664e+03 6.79754e+01 1.76081e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62956e+04 3.88362e+04 -3.96113e+05 2.39461e+03 2.37297e+02 + Potential Pressure (bar) + -3.30222e+05 -5.32200e+03 + + Step Time + 544 544.00000 + + Step Time + 545 545.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21772e+02 9.50940e+02 5.02643e+03 6.78261e+01 1.76059e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62956e+04 3.88409e+04 -3.96137e+05 2.39382e+03 2.37483e+02 + Potential Pressure (bar) + -3.30242e+05 -5.32269e+03 + + Step Time + 546 546.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27747e+02 9.55073e+02 5.02636e+03 6.80016e+01 1.76055e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62954e+04 3.88497e+04 -3.96170e+05 2.39197e+03 2.37727e+02 + Potential Pressure (bar) + -3.30257e+05 -5.32430e+03 + + Step Time + 547 547.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33257e+02 9.51382e+02 5.02612e+03 6.77908e+01 1.76028e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62955e+04 3.88538e+04 -3.96194e+05 2.39134e+03 2.37909e+02 + Potential Pressure (bar) + -3.30276e+05 -5.32521e+03 + + Step Time + 548 548.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.46406e+02 9.57752e+02 5.02608e+03 6.80517e+01 1.76032e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62952e+04 3.88633e+04 -3.96227e+05 2.38936e+03 2.38162e+02 + Potential Pressure (bar) + -3.30282e+05 -5.32716e+03 + + Step Time + 549 549.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.57150e+02 9.52750e+02 5.02581e+03 6.77517e+01 1.75998e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62953e+04 3.88666e+04 -3.96249e+05 2.38897e+03 2.38341e+02 + Potential Pressure (bar) + -3.30297e+05 -5.32832e+03 + + Step Time + 550 550.00000 + + Step Time + 551 551.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.11653e+02 9.51987e+02 5.02581e+03 6.79238e+01 1.76000e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62951e+04 3.88716e+04 -3.96266e+05 2.38768e+03 2.38433e+02 + Potential Pressure (bar) + -3.30356e+05 -5.32643e+03 + + Step Time + 552 552.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.77926e+02 9.53893e+02 5.02514e+03 6.76942e+01 1.75938e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62950e+04 3.88953e+04 -3.96372e+05 2.38344e+03 2.39271e+02 + Potential Pressure (bar) + -3.30374e+05 -5.33322e+03 + + Step Time + 553 553.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.19420e+02 9.53585e+02 5.02517e+03 6.79481e+01 1.75940e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62947e+04 3.89018e+04 -3.96392e+05 2.38183e+03 2.39379e+02 + Potential Pressure (bar) + -3.30449e+05 -5.33138e+03 + + Step Time + 554 554.00000 + + Step Time + 555 555.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24829e+02 9.50936e+02 5.02496e+03 6.77905e+01 1.75917e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62947e+04 3.89067e+04 -3.96418e+05 2.38100e+03 2.39572e+02 + Potential Pressure (bar) + -3.30468e+05 -5.33213e+03 + + Step Time + 556 556.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29427e+02 9.55176e+02 5.02489e+03 6.79775e+01 1.75917e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62945e+04 3.89153e+04 -3.96449e+05 2.37924e+03 2.39801e+02 + Potential Pressure (bar) + -3.30483e+05 -5.33359e+03 + + Step Time + 557 557.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.38473e+02 9.51548e+02 5.02465e+03 6.77548e+01 1.75888e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62946e+04 3.89194e+04 -3.96472e+05 2.37862e+03 2.39989e+02 + Potential Pressure (bar) + -3.30498e+05 -5.33466e+03 + + Step Time + 558 558.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.50177e+02 9.58128e+02 5.02462e+03 6.80334e+01 1.75895e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62943e+04 3.89289e+04 -3.96504e+05 2.37666e+03 2.40230e+02 + Potential Pressure (bar) + -3.30504e+05 -5.33648e+03 + + Step Time + 559 559.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.66609e+02 9.53277e+02 5.02434e+03 6.77150e+01 1.75859e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62944e+04 3.89321e+04 -3.96527e+05 2.37635e+03 2.40414e+02 + Potential Pressure (bar) + -3.30513e+05 -5.33789e+03 + + Step Time + 560 560.00000 + + Step Time + 561 561.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.11921e+02 9.51856e+02 5.02434e+03 6.78980e+01 1.75862e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62943e+04 3.89371e+04 -3.96543e+05 2.37502e+03 2.40495e+02 + Potential Pressure (bar) + -3.30582e+05 -5.33546e+03 + + Step Time + 562 562.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.90696e+02 9.54659e+02 5.02359e+03 6.76511e+01 1.75794e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62941e+04 3.89650e+04 -3.96665e+05 2.37008e+03 2.41464e+02 + Potential Pressure (bar) + -3.30600e+05 -5.34325e+03 + + Step Time + 563 563.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.20248e+02 9.53558e+02 5.02362e+03 6.79215e+01 1.75797e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62938e+04 3.89715e+04 -3.96686e+05 2.36845e+03 2.41560e+02 + Potential Pressure (bar) + -3.30687e+05 -5.34092e+03 + + Step Time + 564 564.00000 + + Step Time + 565 565.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28465e+02 9.50973e+02 5.02340e+03 6.77557e+01 1.75773e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62938e+04 3.89766e+04 -3.96711e+05 2.36760e+03 2.41760e+02 + Potential Pressure (bar) + -3.30703e+05 -5.34175e+03 + + Step Time + 566 566.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.31237e+02 9.55297e+02 5.02335e+03 6.79560e+01 1.75775e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62936e+04 3.89850e+04 -3.96741e+05 2.36591e+03 2.41977e+02 + Potential Pressure (bar) + -3.30719e+05 -5.34304e+03 + + Step Time + 567 567.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.44639e+02 9.51798e+02 5.02310e+03 6.77208e+01 1.75745e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62937e+04 3.89892e+04 -3.96765e+05 2.36530e+03 2.42169e+02 + Potential Pressure (bar) + -3.30730e+05 -5.34427e+03 + + Step Time + 568 568.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.54321e+02 9.58549e+02 5.02309e+03 6.80201e+01 1.75755e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62935e+04 3.89986e+04 -3.96796e+05 2.36339e+03 2.42401e+02 + Potential Pressure (bar) + -3.30736e+05 -5.34594e+03 + + Step Time + 569 569.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.77717e+02 9.53952e+02 5.02279e+03 6.76816e+01 1.75717e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62936e+04 3.90018e+04 -3.96818e+05 2.36311e+03 2.42587e+02 + Potential Pressure (bar) + -3.30738e+05 -5.34763e+03 + + Step Time + 570 570.00000 + + Step Time + 571 571.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.12213e+02 9.51732e+02 5.02281e+03 6.78765e+01 1.75721e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62934e+04 3.90068e+04 -3.96835e+05 2.36177e+03 2.42658e+02 + Potential Pressure (bar) + -3.30818e+05 -5.34462e+03 + + Step Time + 572 572.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.05441e+02 9.55549e+02 5.02194e+03 6.76098e+01 1.75646e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62932e+04 3.90403e+04 -3.96978e+05 2.35588e+03 2.43798e+02 + Potential Pressure (bar) + -3.30838e+05 -5.35350e+03 + + Step Time + 573 573.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21179e+02 9.53524e+02 5.02197e+03 6.78966e+01 1.75649e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62929e+04 3.90470e+04 -3.96999e+05 2.35421e+03 2.43881e+02 + Potential Pressure (bar) + -3.30940e+05 -5.35074e+03 + + Step Time + 574 574.00000 + + Step Time + 575 575.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.32678e+02 9.51054e+02 5.02174e+03 6.77230e+01 1.75624e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62930e+04 3.90522e+04 -3.97025e+05 2.35338e+03 2.44087e+02 + Potential Pressure (bar) + -3.30953e+05 -5.35163e+03 + + Step Time + 576 576.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33266e+02 9.55438e+02 5.02171e+03 6.79370e+01 1.75629e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62928e+04 3.90605e+04 -3.97053e+05 2.35172e+03 2.44292e+02 + Potential Pressure (bar) + -3.30969e+05 -5.35276e+03 + + Step Time + 577 577.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.51767e+02 9.52125e+02 5.02145e+03 6.76881e+01 1.75597e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62929e+04 3.90648e+04 -3.97077e+05 2.35115e+03 2.44488e+02 + Potential Pressure (bar) + -3.30975e+05 -5.35415e+03 + + Step Time + 578 578.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.58998e+02 9.59035e+02 5.02145e+03 6.80091e+01 1.75610e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62926e+04 3.90742e+04 -3.97108e+05 2.34926e+03 2.44710e+02 + Potential Pressure (bar) + -3.30984e+05 -5.35565e+03 + + Step Time + 579 579.00000 + + Step Time + 580 580.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.13179e+02 9.50880e+02 5.02129e+03 6.78094e+01 1.75586e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62927e+04 3.90754e+04 -3.97118e+05 2.34895e+03 2.44761e+02 + Potential Pressure (bar) + -3.31048e+05 -5.35327e+03 + + Step Time + 581 581.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.86469e+02 9.61741e+02 5.02068e+03 6.80146e+01 1.75551e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62922e+04 3.91114e+04 -3.97258e+05 2.34237e+03 2.45843e+02 + Potential Pressure (bar) + -3.31074e+05 -5.36105e+03 + + Step Time + 582 582.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.19684e+02 9.50597e+02 5.02047e+03 6.77480e+01 1.75514e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62923e+04 3.91124e+04 -3.97270e+05 2.34216e+03 2.45886e+02 + Potential Pressure (bar) + -3.31164e+05 -5.35844e+03 + + Step Time + 583 583.00000 + + Step Time + 584 584.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29455e+02 9.54629e+02 5.02037e+03 6.79088e+01 1.75515e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62922e+04 3.91219e+04 -3.97305e+05 2.34036e+03 2.46141e+02 + Potential Pressure (bar) + -3.31177e+05 -5.35970e+03 + + Step Time + 585 585.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28359e+02 9.50833e+02 5.02017e+03 6.77184e+01 1.75488e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62922e+04 3.91256e+04 -3.97324e+05 2.33982e+03 2.46290e+02 + Potential Pressure (bar) + -3.31199e+05 -5.36025e+03 + + Step Time + 586 586.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.46209e+02 9.57061e+02 5.02011e+03 6.79542e+01 1.75495e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62920e+04 3.91354e+04 -3.97358e+05 2.33794e+03 2.46546e+02 + Potential Pressure (bar) + -3.31200e+05 -5.36218e+03 + + Step Time + 587 587.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.46979e+02 9.51793e+02 5.01987e+03 6.76842e+01 1.75461e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62921e+04 3.91385e+04 -3.97377e+05 2.33756e+03 2.46695e+02 + Potential Pressure (bar) + -3.31222e+05 -5.36268e+03 + + Step Time + 588 588.00000 + + Step Time + 589 589.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.13955e+02 9.51824e+02 5.01986e+03 6.78412e+01 1.75467e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62919e+04 3.91435e+04 -3.97394e+05 2.33640e+03 2.46792e+02 + Potential Pressure (bar) + -3.31268e+05 -5.36135e+03 + + Step Time + 590 590.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.63928e+02 9.52703e+02 5.01939e+03 6.76434e+01 1.75422e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62919e+04 3.91605e+04 -3.97467e+05 2.33361e+03 2.47362e+02 + Potential Pressure (bar) + -3.31276e+05 -5.36592e+03 + + Step Time + 591 591.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21481e+02 9.53337e+02 5.01940e+03 6.78754e+01 1.75430e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62917e+04 3.91669e+04 -3.97487e+05 2.33217e+03 2.47476e+02 + Potential Pressure (bar) + -3.31333e+05 -5.36462e+03 + + Step Time + 592 592.00000 + + Step Time + 593 593.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22216e+02 9.50571e+02 5.01921e+03 6.77319e+01 1.75409e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62917e+04 3.91711e+04 -3.97508e+05 2.33148e+03 2.47633e+02 + Potential Pressure (bar) + -3.31352e+05 -5.36497e+03 + + Step Time + 594 594.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30671e+02 9.54759e+02 5.01913e+03 6.79032e+01 1.75411e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62916e+04 3.91802e+04 -3.97540e+05 2.32978e+03 2.47868e+02 + Potential Pressure (bar) + -3.31364e+05 -5.36651e+03 + + Step Time + 595 595.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.32752e+02 9.50956e+02 5.01892e+03 6.77012e+01 1.75383e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62916e+04 3.91840e+04 -3.97560e+05 2.32922e+03 2.48023e+02 + Potential Pressure (bar) + -3.31383e+05 -5.36700e+03 + + Step Time + 596 596.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.49158e+02 9.57381e+02 5.01888e+03 6.79547e+01 1.75393e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62914e+04 3.91936e+04 -3.97593e+05 2.32742e+03 2.48265e+02 + Potential Pressure (bar) + -3.31385e+05 -5.36893e+03 + + Step Time + 597 597.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.54989e+02 9.52216e+02 5.01862e+03 6.76656e+01 1.75357e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62915e+04 3.91966e+04 -3.97612e+05 2.32706e+03 2.48418e+02 + Potential Pressure (bar) + -3.31401e+05 -5.36962e+03 + + Step Time + 598 598.00000 + + Step Time + 599 599.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.14051e+02 9.51697e+02 5.01862e+03 6.78328e+01 1.75364e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62914e+04 3.92016e+04 -3.97629e+05 2.32591e+03 2.48505e+02 + Potential Pressure (bar) + -3.31455e+05 -5.36787e+03 + + Step Time + 600 600.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.74879e+02 9.53320e+02 5.01807e+03 6.76198e+01 1.75315e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62913e+04 3.92217e+04 -3.97712e+05 2.32263e+03 2.49168e+02 + Potential Pressure (bar) + -3.31461e+05 -5.37320e+03 + + Step Time + 601 601.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21992e+02 9.53279e+02 5.01809e+03 6.78666e+01 1.75323e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62911e+04 3.92281e+04 -3.97733e+05 2.32119e+03 2.49270e+02 + Potential Pressure (bar) + -3.31529e+05 -5.37147e+03 + + Step Time + 602 602.00000 + + Step Time + 603 603.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25303e+02 9.50568e+02 5.01790e+03 6.77148e+01 1.75301e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62912e+04 3.92326e+04 -3.97755e+05 2.32048e+03 2.49434e+02 + Potential Pressure (bar) + -3.31546e+05 -5.37190e+03 + + Step Time + 604 604.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.31961e+02 9.54826e+02 5.01783e+03 6.78970e+01 1.75306e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62910e+04 3.92413e+04 -3.97785e+05 2.31887e+03 2.49653e+02 + Potential Pressure (bar) + -3.31558e+05 -5.37328e+03 + + Step Time + 605 605.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.38024e+02 9.51126e+02 5.01761e+03 6.76821e+01 1.75277e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62911e+04 3.92452e+04 -3.97806e+05 2.31830e+03 2.49815e+02 + Potential Pressure (bar) + -3.31574e+05 -5.37398e+03 + + Step Time + 606 606.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.52374e+02 9.57691e+02 5.01758e+03 6.79539e+01 1.75290e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62909e+04 3.92547e+04 -3.97837e+05 2.31656e+03 2.50042e+02 + Potential Pressure (bar) + -3.31576e+05 -5.37576e+03 + + Step Time + 607 607.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.64509e+02 9.52749e+02 5.01731e+03 6.76460e+01 1.75252e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62910e+04 3.92577e+04 -3.97856e+05 2.31624e+03 2.50201e+02 + Potential Pressure (bar) + -3.31586e+05 -5.37671e+03 + + Step Time + 608 608.00000 + + Step Time + 609 609.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.14162e+02 9.51543e+02 5.01732e+03 6.78245e+01 1.75260e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62908e+04 3.92627e+04 -3.97872e+05 2.31507e+03 2.50277e+02 + Potential Pressure (bar) + -3.31649e+05 -5.37443e+03 + + Step Time + 610 610.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.87769e+02 9.54077e+02 5.01668e+03 6.75919e+01 1.75205e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62907e+04 3.92869e+04 -3.97972e+05 2.31115e+03 2.51064e+02 + Potential Pressure (bar) + -3.31654e+05 -5.38071e+03 + + Step Time + 611 611.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22523e+02 9.53197e+02 5.01671e+03 6.78549e+01 1.75214e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62906e+04 3.92934e+04 -3.97992e+05 2.30967e+03 2.51154e+02 + Potential Pressure (bar) + -3.31735e+05 -5.37847e+03 + + Step Time + 612 612.00000 + + Step Time + 613 613.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29002e+02 9.50594e+02 5.01650e+03 6.76946e+01 1.75191e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62906e+04 3.92981e+04 -3.98015e+05 2.30894e+03 2.51327e+02 + Potential Pressure (bar) + -3.31750e+05 -5.37901e+03 + + Step Time + 614 614.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33351e+02 9.54877e+02 5.01645e+03 6.78899e+01 1.75197e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62905e+04 3.93065e+04 -3.98043e+05 2.30740e+03 2.51530e+02 + Potential Pressure (bar) + -3.31762e+05 -5.38022e+03 + + Step Time + 615 615.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.44292e+02 9.51367e+02 5.01621e+03 6.76626e+01 1.75167e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62905e+04 3.93105e+04 -3.98064e+05 2.30685e+03 2.51698e+02 + Potential Pressure (bar) + -3.31773e+05 -5.38111e+03 + + Step Time + 616 616.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.55906e+02 9.58027e+02 5.01620e+03 6.79536e+01 1.75183e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62903e+04 3.93198e+04 -3.98094e+05 2.30515e+03 2.51914e+02 + Potential Pressure (bar) + -3.31777e+05 -5.38270e+03 + + Step Time + 617 617.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.75756e+02 9.53420e+02 5.01592e+03 6.76268e+01 1.75143e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62904e+04 3.93228e+04 -3.98114e+05 2.30488e+03 2.52078e+02 + Potential Pressure (bar) + -3.31779e+05 -5.38404e+03 + + Step Time + 618 618.00000 + + Step Time + 619 619.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.14309e+02 9.51375e+02 5.01594e+03 6.78162e+01 1.75152e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62903e+04 3.93278e+04 -3.98129e+05 2.30368e+03 2.52142e+02 + Potential Pressure (bar) + -3.31854e+05 -5.38113e+03 + + Step Time + 620 620.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 4.02778e+02 9.54962e+02 5.01516e+03 6.75622e+01 1.75090e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62902e+04 3.93579e+04 -3.98251e+05 2.29886e+03 2.53099e+02 + Potential Pressure (bar) + -3.31859e+05 -5.38853e+03 + + Step Time + 621 621.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23133e+02 9.53084e+02 5.01520e+03 6.78417e+01 1.75099e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62900e+04 3.93644e+04 -3.98271e+05 2.29736e+03 2.53175e+02 + Potential Pressure (bar) + -3.31956e+05 -5.38583e+03 + + Step Time + 622 622.00000 + + Step Time + 623 623.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33369e+02 9.50647e+02 5.01498e+03 6.76743e+01 1.75075e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62900e+04 3.93694e+04 -3.98294e+05 2.29660e+03 2.53357e+02 + Potential Pressure (bar) + -3.31968e+05 -5.38645e+03 + + Step Time + 624 624.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.34913e+02 9.54919e+02 5.01494e+03 6.78825e+01 1.75083e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62899e+04 3.93776e+04 -3.98322e+05 2.29512e+03 2.53547e+02 + Potential Pressure (bar) + -3.31982e+05 -5.38747e+03 + + Step Time + 625 625.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.51639e+02 9.51667e+02 5.01469e+03 6.76421e+01 1.75052e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62899e+04 3.93816e+04 -3.98343e+05 2.29459e+03 2.53720e+02 + Potential Pressure (bar) + -3.31987e+05 -5.38862e+03 + + Step Time + 626 626.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.59886e+02 9.58381e+02 5.01470e+03 6.79535e+01 1.75070e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62898e+04 3.93909e+04 -3.98372e+05 2.29293e+03 2.53925e+02 + Potential Pressure (bar) + -3.31993e+05 -5.38998e+03 + + Step Time + 627 627.00000 + + Step Time + 628 628.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.14975e+02 9.50479e+02 5.01454e+03 6.77605e+01 1.75045e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62898e+04 3.93921e+04 -3.98382e+05 2.29264e+03 2.53967e+02 + Potential Pressure (bar) + -3.32055e+05 -5.38757e+03 + + Step Time + 629 629.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.86374e+02 9.60897e+02 5.01393e+03 6.79607e+01 1.75023e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62895e+04 3.94282e+04 -3.98516e+05 2.28659e+03 2.54981e+02 + Potential Pressure (bar) + -3.32077e+05 -5.39448e+03 + + Step Time + 630 630.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21167e+02 9.50152e+02 5.01373e+03 6.77040e+01 1.74983e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62896e+04 3.94292e+04 -3.98526e+05 2.28636e+03 2.55013e+02 + Potential Pressure (bar) + -3.32164e+05 -5.39185e+03 + + Step Time + 631 631.00000 + + Step Time + 632 632.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.31009e+02 9.54040e+02 5.01363e+03 6.78600e+01 1.74989e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62894e+04 3.94384e+04 -3.98558e+05 2.28475e+03 2.55247e+02 + Potential Pressure (bar) + -3.32174e+05 -5.39294e+03 + + Step Time + 633 633.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29494e+02 9.50380e+02 5.01344e+03 6.76767e+01 1.74961e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62895e+04 3.94419e+04 -3.98576e+05 2.28425e+03 2.55379e+02 + Potential Pressure (bar) + -3.32194e+05 -5.39328e+03 + + Step Time + 634 634.00000 + + Step Time + 635 635.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.15269e+02 9.51129e+02 5.01341e+03 6.77824e+01 1.74966e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62894e+04 3.94467e+04 -3.98592e+05 2.28334e+03 2.55480e+02 + Potential Pressure (bar) + -3.32220e+05 -5.39285e+03 + + Step Time + 636 636.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.37133e+02 9.50635e+02 5.01302e+03 6.76508e+01 1.74932e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62893e+04 3.94608e+04 -3.98650e+05 2.28110e+03 2.55911e+02 + Potential Pressure (bar) + -3.32245e+05 -5.39527e+03 + + Step Time + 637 637.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.19168e+02 9.52007e+02 5.01300e+03 6.78062e+01 1.74939e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62892e+04 3.94666e+04 -3.98669e+05 2.27999e+03 2.56029e+02 + Potential Pressure (bar) + -3.32275e+05 -5.39497e+03 + + Step Time + 638 638.00000 + + Step Time + 639 639.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.18396e+02 9.50063e+02 5.01285e+03 6.77107e+01 1.74922e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62892e+04 3.94708e+04 -3.98687e+05 2.27934e+03 2.56161e+02 + Potential Pressure (bar) + -3.32293e+05 -5.39522e+03 + + Step Time + 640 640.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23802e+02 9.52796e+02 5.01273e+03 6.78246e+01 1.74922e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62891e+04 3.94798e+04 -3.98718e+05 2.27779e+03 2.56389e+02 + Potential Pressure (bar) + -3.32309e+05 -5.39636e+03 + + Step Time + 641 641.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23003e+02 9.50064e+02 5.01255e+03 6.76893e+01 1.74900e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62892e+04 3.94837e+04 -3.98736e+05 2.27720e+03 2.56521e+02 + Potential Pressure (bar) + -3.32328e+05 -5.39664e+03 + + Step Time + 642 642.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.32931e+02 9.54201e+02 5.01247e+03 6.78566e+01 1.74907e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62890e+04 3.94928e+04 -3.98768e+05 2.27565e+03 2.56745e+02 + Potential Pressure (bar) + -3.32337e+05 -5.39800e+03 + + Step Time + 643 643.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.32874e+02 9.50396e+02 5.01227e+03 6.76633e+01 1.74879e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62891e+04 3.94963e+04 -3.98786e+05 2.27515e+03 2.56878e+02 + Potential Pressure (bar) + -3.32356e+05 -5.39832e+03 + + Step Time + 644 644.00000 + + Step Time + 645 645.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.15502e+02 9.50991e+02 5.01224e+03 6.77765e+01 1.74884e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62890e+04 3.95010e+04 -3.98801e+05 2.27426e+03 2.56973e+02 + Potential Pressure (bar) + -3.32385e+05 -5.39775e+03 + + Step Time + 646 646.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.41826e+02 9.50733e+02 5.01182e+03 6.76365e+01 1.74848e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62889e+04 3.95167e+04 -3.98864e+05 2.27180e+03 2.57445e+02 + Potential Pressure (bar) + -3.32409e+05 -5.40050e+03 + + Step Time + 647 647.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.19716e+02 9.51918e+02 5.01180e+03 6.78027e+01 1.74856e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62888e+04 3.95226e+04 -3.98883e+05 2.27069e+03 2.57556e+02 + Potential Pressure (bar) + -3.32444e+05 -5.39999e+03 + + Step Time + 648 648.00000 + + Step Time + 649 649.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.19712e+02 9.49916e+02 5.01164e+03 6.77004e+01 1.74838e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62888e+04 3.95269e+04 -3.98902e+05 2.27000e+03 2.57692e+02 + Potential Pressure (bar) + -3.32461e+05 -5.40024e+03 + + Step Time + 650 650.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24802e+02 9.52773e+02 5.01154e+03 6.78222e+01 1.74840e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62887e+04 3.95355e+04 -3.98932e+05 2.26857e+03 2.57904e+02 + Potential Pressure (bar) + -3.32476e+05 -5.40133e+03 + + Step Time + 651 651.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25228e+02 9.49977e+02 5.01136e+03 6.76778e+01 1.74817e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62888e+04 3.95395e+04 -3.98950e+05 2.26797e+03 2.58040e+02 + Potential Pressure (bar) + -3.32493e+05 -5.40164e+03 + + Step Time + 652 652.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.34958e+02 9.54317e+02 5.01128e+03 6.78569e+01 1.74826e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62886e+04 3.95484e+04 -3.98980e+05 2.26647e+03 2.58253e+02 + Potential Pressure (bar) + -3.32502e+05 -5.40294e+03 + + Step Time + 653 653.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.36934e+02 9.50448e+02 5.01107e+03 6.76500e+01 1.74796e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62887e+04 3.95518e+04 -3.98998e+05 2.26600e+03 2.58388e+02 + Potential Pressure (bar) + -3.32519e+05 -5.40333e+03 + + Step Time + 654 654.00000 + + Step Time + 655 655.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.15711e+02 9.50822e+02 5.01105e+03 6.77707e+01 1.74802e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62886e+04 3.95565e+04 -3.99013e+05 2.26510e+03 2.58476e+02 + Potential Pressure (bar) + -3.32551e+05 -5.40254e+03 + + Step Time + 656 656.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.47423e+02 9.50878e+02 5.01058e+03 6.76189e+01 1.74763e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62885e+04 3.95744e+04 -3.99083e+05 2.26235e+03 2.59003e+02 + Potential Pressure (bar) + -3.32575e+05 -5.40568e+03 + + Step Time + 657 657.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.20228e+02 9.51802e+02 5.01057e+03 6.77959e+01 1.74772e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62884e+04 3.95802e+04 -3.99102e+05 2.26123e+03 2.59107e+02 + Potential Pressure (bar) + -3.32615e+05 -5.40491e+03 + + Step Time + 658 658.00000 + + Step Time + 659 659.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21295e+02 9.49765e+02 5.01040e+03 6.76876e+01 1.74754e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62884e+04 3.95846e+04 -3.99121e+05 2.26056e+03 2.59248e+02 + Potential Pressure (bar) + -3.32632e+05 -5.40519e+03 + + Step Time + 660 660.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25799e+02 9.52725e+02 5.01031e+03 6.78176e+01 1.74757e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62883e+04 3.95929e+04 -3.99150e+05 2.25918e+03 2.59446e+02 + Potential Pressure (bar) + -3.32646e+05 -5.40620e+03 + + Step Time + 661 661.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27913e+02 9.49904e+02 5.01012e+03 6.76641e+01 1.74733e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62884e+04 3.95970e+04 -3.99168e+05 2.25859e+03 2.59585e+02 + Potential Pressure (bar) + -3.32662e+05 -5.40658e+03 + + Step Time + 662 662.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.37073e+02 9.54415e+02 5.01006e+03 6.78552e+01 1.74744e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62882e+04 3.96058e+04 -3.99197e+05 2.25714e+03 2.59788e+02 + Potential Pressure (bar) + -3.32669e+05 -5.40783e+03 + + Step Time + 663 663.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.41786e+02 9.50542e+02 5.00984e+03 6.76349e+01 1.74712e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62883e+04 3.96093e+04 -3.99215e+05 2.25668e+03 2.59924e+02 + Potential Pressure (bar) + -3.32684e+05 -5.40830e+03 + + Step Time + 664 664.00000 + + Step Time + 665 665.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.15908e+02 9.50618e+02 5.00982e+03 6.77628e+01 1.74720e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62882e+04 3.96139e+04 -3.99230e+05 2.25580e+03 2.60005e+02 + Potential Pressure (bar) + -3.32721e+05 -5.40723e+03 + + Step Time + 666 666.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.54055e+02 9.51087e+02 5.00929e+03 6.75992e+01 1.74677e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62882e+04 3.96346e+04 -3.99310e+05 2.25263e+03 2.60606e+02 + Potential Pressure (bar) + -3.32745e+05 -5.41082e+03 + + Step Time + 667 667.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.20716e+02 9.51650e+02 5.00929e+03 6.77882e+01 1.74687e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62880e+04 3.96405e+04 -3.99329e+05 2.25152e+03 2.60702e+02 + Potential Pressure (bar) + -3.32792e+05 -5.40977e+03 + + Step Time + 668 668.00000 + + Step Time + 669 669.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23203e+02 9.49607e+02 5.00910e+03 6.76720e+01 1.74668e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62880e+04 3.96451e+04 -3.99348e+05 2.25081e+03 2.60849e+02 + Potential Pressure (bar) + -3.32807e+05 -5.41008e+03 + + Step Time + 670 670.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26799e+02 9.52655e+02 5.00903e+03 6.78113e+01 1.74673e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62879e+04 3.96531e+04 -3.99375e+05 2.24951e+03 2.61034e+02 + Potential Pressure (bar) + -3.32821e+05 -5.41099e+03 + + Step Time + 671 671.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.31138e+02 9.49844e+02 5.00884e+03 6.76470e+01 1.74648e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62880e+04 3.96573e+04 -3.99394e+05 2.24892e+03 2.61177e+02 + Potential Pressure (bar) + -3.32835e+05 -5.41144e+03 + + Step Time + 672 672.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.39303e+02 9.54507e+02 5.00879e+03 6.78519e+01 1.74661e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62878e+04 3.96660e+04 -3.99422e+05 2.24751e+03 2.61370e+02 + Potential Pressure (bar) + -3.32842e+05 -5.41255e+03 + + Step Time + 673 673.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.47591e+02 9.50691e+02 5.00855e+03 6.76174e+01 1.74628e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62879e+04 3.96694e+04 -3.99440e+05 2.24708e+03 2.61509e+02 + Potential Pressure (bar) + -3.32853e+05 -5.41317e+03 + + Step Time + 674 674.00000 + + Step Time + 675 675.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.16084e+02 9.50392e+02 5.00855e+03 6.77533e+01 1.74636e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62878e+04 3.96740e+04 -3.99455e+05 2.24619e+03 2.61583e+02 + Potential Pressure (bar) + -3.32896e+05 -5.41182e+03 + + Step Time + 676 676.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.61916e+02 9.51348e+02 5.00793e+03 6.75764e+01 1.74588e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62877e+04 3.96988e+04 -3.99549e+05 2.24248e+03 2.62284e+02 + Potential Pressure (bar) + -3.32923e+05 -5.41587e+03 + + Step Time + 677 677.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21200e+02 9.51458e+02 5.00793e+03 6.77779e+01 1.74599e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62876e+04 3.97047e+04 -3.99567e+05 2.24137e+03 2.62371e+02 + Potential Pressure (bar) + -3.32977e+05 -5.41453e+03 + + Step Time + 678 678.00000 + + Step Time + 679 679.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25487e+02 9.49447e+02 5.00775e+03 6.76553e+01 1.74579e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62876e+04 3.97096e+04 -3.99588e+05 2.24063e+03 2.62524e+02 + Potential Pressure (bar) + -3.32991e+05 -5.41487e+03 + + Step Time + 680 680.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27837e+02 9.52553e+02 5.00769e+03 6.78030e+01 1.74586e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62875e+04 3.97174e+04 -3.99613e+05 2.23939e+03 2.62698e+02 + Potential Pressure (bar) + -3.33004e+05 -5.41567e+03 + + Step Time + 681 681.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.34980e+02 9.49803e+02 5.00748e+03 6.76286e+01 1.74560e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62875e+04 3.97217e+04 -3.99632e+05 2.23880e+03 2.62845e+02 + Potential Pressure (bar) + -3.33016e+05 -5.41622e+03 + + Step Time + 682 682.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.41696e+02 9.54587e+02 5.00744e+03 6.78468e+01 1.74575e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62874e+04 3.97303e+04 -3.99660e+05 2.23743e+03 2.63029e+02 + Potential Pressure (bar) + -3.33024e+05 -5.41723e+03 + + Step Time + 683 683.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.54465e+02 9.50902e+02 5.00721e+03 6.75973e+01 1.74540e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62875e+04 3.97337e+04 -3.99677e+05 2.23703e+03 2.63171e+02 + Potential Pressure (bar) + -3.33030e+05 -5.41806e+03 + + Step Time + 684 684.00000 + + Step Time + 685 685.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.16268e+02 9.50127e+02 5.00721e+03 6.77433e+01 1.74549e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62874e+04 3.97383e+04 -3.99692e+05 2.23614e+03 2.63237e+02 + Potential Pressure (bar) + -3.33080e+05 -5.41630e+03 + + Step Time + 686 686.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.71087e+02 9.51690e+02 5.00647e+03 6.75480e+01 1.74495e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62873e+04 3.97688e+04 -3.99805e+05 2.23166e+03 2.64080e+02 + Potential Pressure (bar) + -3.33112e+05 -5.42096e+03 + + Step Time + 687 687.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21691e+02 9.51227e+02 5.00649e+03 6.77619e+01 1.74507e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62872e+04 3.97748e+04 -3.99823e+05 2.23052e+03 2.64158e+02 + Potential Pressure (bar) + -3.33174e+05 -5.41933e+03 + + Step Time + 688 688.00000 + + Step Time + 689 689.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28199e+02 9.49275e+02 5.00629e+03 6.76333e+01 1.74485e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62872e+04 3.97800e+04 -3.99845e+05 2.22978e+03 2.64318e+02 + Potential Pressure (bar) + -3.33188e+05 -5.41969e+03 + + Step Time + 690 690.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28943e+02 9.52424e+02 5.00624e+03 6.77905e+01 1.74495e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62871e+04 3.97876e+04 -3.99870e+05 2.22858e+03 2.64481e+02 + Potential Pressure (bar) + -3.33202e+05 -5.42035e+03 + + Step Time + 691 691.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.39513e+02 9.49781e+02 5.00603e+03 6.76058e+01 1.74466e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62871e+04 3.97920e+04 -3.99889e+05 2.22802e+03 2.64631e+02 + Potential Pressure (bar) + -3.33210e+05 -5.42101e+03 + + Step Time + 692 692.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.44344e+02 9.54661e+02 5.00600e+03 6.78395e+01 1.74484e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62870e+04 3.98005e+04 -3.99915e+05 2.22667e+03 2.64807e+02 + Potential Pressure (bar) + -3.33219e+05 -5.42191e+03 + + Step Time + 693 693.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.62530e+02 9.51188e+02 5.00576e+03 6.75740e+01 1.74447e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62870e+04 3.98039e+04 -3.99932e+05 2.22631e+03 2.64951e+02 + Potential Pressure (bar) + -3.33219e+05 -5.42294e+03 + + Step Time + 694 694.00000 + + Step Time + 695 695.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.16465e+02 9.49838e+02 5.00577e+03 6.77282e+01 1.74458e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62870e+04 3.98085e+04 -3.99947e+05 2.22539e+03 2.65009e+02 + Potential Pressure (bar) + -3.33277e+05 -5.42074e+03 + + Step Time + 696 696.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.81644e+02 9.52046e+02 5.00487e+03 6.75175e+01 1.74395e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62868e+04 3.98473e+04 -4.00089e+05 2.21979e+03 2.66051e+02 + Potential Pressure (bar) + -3.33319e+05 -5.42603e+03 + + Step Time + 697 697.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22274e+02 9.50949e+02 5.00490e+03 6.77433e+01 1.74407e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62867e+04 3.98534e+04 -4.00107e+05 2.21863e+03 2.66121e+02 + Potential Pressure (bar) + -3.33392e+05 -5.42414e+03 + + Step Time + 698 698.00000 + + Step Time + 699 699.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.31296e+02 9.49093e+02 5.00470e+03 6.76081e+01 1.74384e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62867e+04 3.98588e+04 -4.00129e+05 2.21789e+03 2.66285e+02 + Potential Pressure (bar) + -3.33403e+05 -5.42455e+03 + + Step Time + 700 700.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30224e+02 9.52268e+02 5.00466e+03 6.77754e+01 1.74396e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62866e+04 3.98663e+04 -4.00152e+05 2.21673e+03 2.66439e+02 + Potential Pressure (bar) + -3.33417e+05 -5.42503e+03 + + Step Time + 701 701.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.44707e+02 9.49775e+02 5.00445e+03 6.75800e+01 1.74366e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62866e+04 3.98707e+04 -4.00172e+05 2.21618e+03 2.66593e+02 + Potential Pressure (bar) + -3.33422e+05 -5.42585e+03 + + Step Time + 702 702.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.47369e+02 9.54740e+02 5.00443e+03 6.78289e+01 1.74386e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62865e+04 3.98792e+04 -4.00198e+05 2.21487e+03 2.66760e+02 + Potential Pressure (bar) + -3.33432e+05 -5.42658e+03 + + Step Time + 703 703.00000 + + Step Time + 704 704.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.17420e+02 9.48990e+02 5.00431e+03 6.76746e+01 1.74364e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62865e+04 3.98807e+04 -4.00206e+05 2.21459e+03 2.66804e+02 + Potential Pressure (bar) + -3.33476e+05 -5.42489e+03 + + Step Time + 705 705.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.65221e+02 9.56584e+02 5.00386e+03 6.78457e+01 1.74358e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62863e+04 3.99092e+04 -4.00304e+05 2.21045e+03 2.67501e+02 + Potential Pressure (bar) + -3.33493e+05 -5.42882e+03 + + Step Time + 706 706.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22363e+02 9.48697e+02 5.00369e+03 6.76340e+01 1.74323e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62863e+04 3.99105e+04 -4.00313e+05 2.21019e+03 2.67540e+02 + Potential Pressure (bar) + -3.33553e+05 -5.42692e+03 + + Step Time + 707 707.00000 + + Step Time + 708 708.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27275e+02 9.51510e+02 5.00362e+03 6.77575e+01 1.74331e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62862e+04 3.99188e+04 -4.00340e+05 2.20895e+03 2.67722e+02 + Potential Pressure (bar) + -3.33565e+05 -5.42745e+03 + + Step Time + 709 709.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28702e+02 9.48805e+02 5.00345e+03 6.76074e+01 1.74306e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62862e+04 3.99228e+04 -4.00356e+05 2.20842e+03 2.67844e+02 + Potential Pressure (bar) + -3.33579e+05 -5.42777e+03 + + Step Time + 710 710.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.38274e+02 9.53159e+02 5.00339e+03 6.77898e+01 1.74320e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62861e+04 3.99314e+04 -4.00384e+05 2.20711e+03 2.68030e+02 + Potential Pressure (bar) + -3.33585e+05 -5.42873e+03 + + Step Time + 711 711.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.42101e+02 9.49421e+02 5.00319e+03 6.75777e+01 1.74288e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62862e+04 3.99348e+04 -4.00400e+05 2.20671e+03 2.68149e+02 + Potential Pressure (bar) + -3.33599e+05 -5.42904e+03 + + Step Time + 712 712.00000 + + Step Time + 713 713.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.17389e+02 9.49474e+02 5.00318e+03 6.77010e+01 1.74297e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62861e+04 3.99394e+04 -4.00414e+05 2.20590e+03 2.68222e+02 + Potential Pressure (bar) + -3.33634e+05 -5.42791e+03 + + Step Time + 714 714.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.54139e+02 9.49927e+02 5.00270e+03 6.75415e+01 1.74258e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62860e+04 3.99594e+04 -4.00487e+05 2.20315e+03 2.68754e+02 + Potential Pressure (bar) + -3.33652e+05 -5.43068e+03 + + Step Time + 715 715.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22052e+02 9.50433e+02 5.00270e+03 6.77231e+01 1.74271e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62859e+04 3.99652e+04 -4.00504e+05 2.20214e+03 2.68841e+02 + Potential Pressure (bar) + -3.33697e+05 -5.42959e+03 + + Step Time + 716 716.00000 + + Step Time + 717 717.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24313e+02 9.48472e+02 5.00254e+03 6.76111e+01 1.74252e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62859e+04 3.99698e+04 -4.00522e+05 2.20152e+03 2.68972e+02 + Potential Pressure (bar) + -3.33711e+05 -5.42973e+03 + + Step Time + 718 718.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27933e+02 9.51389e+02 5.00248e+03 6.77440e+01 1.74260e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62858e+04 3.99777e+04 -4.00548e+05 2.20033e+03 2.69139e+02 + Potential Pressure (bar) + -3.33722e+05 -5.43044e+03 + + Step Time + 719 719.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.32045e+02 9.48703e+02 5.00230e+03 6.75857e+01 1.74235e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62859e+04 3.99818e+04 -4.00565e+05 2.19980e+03 2.69267e+02 + Potential Pressure (bar) + -3.33735e+05 -5.43072e+03 + + Step Time + 720 720.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.40025e+02 9.53166e+02 5.00226e+03 6.77821e+01 1.74250e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62857e+04 3.99903e+04 -4.00591e+05 2.19857e+03 2.69442e+02 + Potential Pressure (bar) + -3.33741e+05 -5.43167e+03 + + Step Time + 721 721.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.48101e+02 9.49543e+02 5.00205e+03 6.75557e+01 1.74217e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62858e+04 3.99937e+04 -4.00607e+05 2.19817e+03 2.69566e+02 + Potential Pressure (bar) + -3.33750e+05 -5.43209e+03 + + Step Time + 722 722.00000 + + Step Time + 723 723.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.17421e+02 9.49184e+02 5.00204e+03 6.76866e+01 1.74227e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62857e+04 3.99983e+04 -4.00621e+05 2.19734e+03 2.69632e+02 + Potential Pressure (bar) + -3.33791e+05 -5.43067e+03 + + Step Time + 724 724.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.62227e+02 9.50184e+02 5.00148e+03 6.75128e+01 1.74182e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62856e+04 4.00233e+04 -4.00710e+05 2.19392e+03 2.70282e+02 + Potential Pressure (bar) + -3.33814e+05 -5.43396e+03 + + Step Time + 725 725.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22267e+02 9.50169e+02 5.00149e+03 6.77058e+01 1.74196e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62855e+04 4.00291e+04 -4.00728e+05 2.19291e+03 2.70361e+02 + Potential Pressure (bar) + -3.33866e+05 -5.43258e+03 + + Step Time + 726 726.00000 + + Step Time + 727 727.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26692e+02 9.48279e+02 5.00132e+03 6.75879e+01 1.74176e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62855e+04 4.00341e+04 -4.00747e+05 2.19224e+03 2.70500e+02 + Potential Pressure (bar) + -3.33879e+05 -5.43277e+03 + + Step Time + 728 728.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28613e+02 9.51204e+02 5.00127e+03 6.77303e+01 1.74186e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62854e+04 4.00416e+04 -4.00771e+05 2.19113e+03 2.70655e+02 + Potential Pressure (bar) + -3.33891e+05 -5.43334e+03 + + Step Time + 729 729.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.36045e+02 9.48646e+02 5.00108e+03 6.75627e+01 1.74159e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62854e+04 4.00459e+04 -4.00789e+05 2.19060e+03 2.70788e+02 + Potential Pressure (bar) + -3.33901e+05 -5.43374e+03 + + Step Time + 730 730.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.41932e+02 9.53151e+02 5.00105e+03 6.77723e+01 1.74177e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62853e+04 4.00542e+04 -4.00814e+05 2.18938e+03 2.70954e+02 + Potential Pressure (bar) + -3.33908e+05 -5.43455e+03 + + Step Time + 731 731.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.55217e+02 9.49754e+02 5.00084e+03 6.75316e+01 1.74141e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62854e+04 4.00576e+04 -4.00830e+05 2.18901e+03 2.71082e+02 + Potential Pressure (bar) + -3.33912e+05 -5.43523e+03 + + Step Time + 732 732.00000 + + Step Time + 733 733.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.17473e+02 9.48875e+02 5.00084e+03 6.76711e+01 1.74153e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62853e+04 4.00621e+04 -4.00843e+05 2.18818e+03 2.71140e+02 + Potential Pressure (bar) + -3.33960e+05 -5.43341e+03 + + Step Time + 734 734.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.71643e+02 9.50482e+02 5.00013e+03 6.74793e+01 1.74100e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62852e+04 4.00949e+04 -4.00959e+05 2.18371e+03 2.71969e+02 + Potential Pressure (bar) + -3.33992e+05 -5.43727e+03 + + Step Time + 735 735.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22529e+02 9.49865e+02 5.00015e+03 6.76841e+01 1.74114e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62851e+04 4.01007e+04 -4.00976e+05 2.18268e+03 2.72039e+02 + Potential Pressure (bar) + -3.34054e+05 -5.43561e+03 + + Step Time + 736 736.00000 + + Step Time + 737 737.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29490e+02 9.48087e+02 4.99998e+03 6.75609e+01 1.74093e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62851e+04 4.01060e+04 -4.00997e+05 2.18200e+03 2.72185e+02 + Potential Pressure (bar) + -3.34065e+05 -5.43585e+03 + + Step Time + 738 738.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29395e+02 9.51002e+02 4.99994e+03 6.77124e+01 1.74105e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62850e+04 4.01133e+04 -4.01019e+05 2.18092e+03 2.72330e+02 + Potential Pressure (bar) + -3.34079e+05 -5.43628e+03 + + Step Time + 739 739.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.40727e+02 9.48613e+02 4.99974e+03 6.75349e+01 1.74076e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62850e+04 4.01177e+04 -4.01037e+05 2.18040e+03 2.72468e+02 + Potential Pressure (bar) + -3.34084e+05 -5.43684e+03 + + Step Time + 740 740.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.44092e+02 9.53142e+02 4.99973e+03 6.77598e+01 1.74097e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62849e+04 4.01259e+04 -4.01062e+05 2.17920e+03 2.72624e+02 + Potential Pressure (bar) + -3.34094e+05 -5.43749e+03 + + Step Time + 741 741.00000 + + Step Time + 742 742.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.18050e+02 9.48070e+02 4.99962e+03 6.76217e+01 1.74075e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62849e+04 4.01275e+04 -4.01070e+05 2.17892e+03 2.72665e+02 + Potential Pressure (bar) + -3.34131e+05 -5.43597e+03 + + Step Time + 743 743.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.59339e+02 9.54707e+02 4.99919e+03 6.77695e+01 1.74070e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62847e+04 4.01569e+04 -4.01168e+05 2.17486e+03 2.73343e+02 + Potential Pressure (bar) + -3.34156e+05 -5.43917e+03 + + Step Time + 744 744.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22107e+02 9.47746e+02 4.99904e+03 6.75798e+01 1.74037e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62847e+04 4.01583e+04 -4.01176e+05 2.17461e+03 2.73379e+02 + Potential Pressure (bar) + -3.34208e+05 -5.43748e+03 + + Step Time + 745 745.00000 + + Step Time + 746 746.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26795e+02 9.50295e+02 4.99897e+03 6.76927e+01 1.74045e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62846e+04 4.01664e+04 -4.01202e+05 2.17345e+03 2.73550e+02 + Potential Pressure (bar) + -3.34219e+05 -5.43794e+03 + + Step Time + 747 747.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27397e+02 9.47805e+02 4.99881e+03 6.75574e+01 1.74022e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62847e+04 4.01703e+04 -4.01217e+05 2.17296e+03 2.73660e+02 + Potential Pressure (bar) + -3.34234e+05 -5.43807e+03 + + Step Time + 748 748.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.36222e+02 9.51719e+02 4.99876e+03 6.77226e+01 1.74036e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62846e+04 4.01788e+04 -4.01243e+05 2.17176e+03 2.73833e+02 + Potential Pressure (bar) + -3.34240e+05 -5.43889e+03 + + Step Time + 749 749.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.38644e+02 9.48281e+02 4.99858e+03 6.75307e+01 1.74005e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62846e+04 4.01822e+04 -4.01258e+05 2.17135e+03 2.73941e+02 + Potential Pressure (bar) + -3.34253e+05 -5.43901e+03 + + Step Time + 750 750.00000 + + Step Time + 751 751.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.18164e+02 9.48485e+02 4.99857e+03 6.76424e+01 1.74015e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62845e+04 4.01866e+04 -4.01272e+05 2.17063e+03 2.74011e+02 + Potential Pressure (bar) + -3.34283e+05 -5.43807e+03 + + Step Time + 752 752.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.48873e+02 9.48678e+02 4.99815e+03 6.74986e+01 1.73979e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62845e+04 4.02054e+04 -4.01337e+05 2.16815e+03 2.74478e+02 + Potential Pressure (bar) + -3.34302e+05 -5.44017e+03 + + Step Time + 753 753.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22189e+02 9.49320e+02 4.99815e+03 6.76626e+01 1.73992e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62844e+04 4.02110e+04 -4.01354e+05 2.16724e+03 2.74561e+02 + Potential Pressure (bar) + -3.34340e+05 -5.43926e+03 + + Step Time + 754 754.00000 + + Step Time + 755 755.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23797e+02 9.47525e+02 4.99801e+03 6.75620e+01 1.73974e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62844e+04 4.02155e+04 -4.01371e+05 2.16665e+03 2.74679e+02 + Potential Pressure (bar) + -3.34353e+05 -5.43929e+03 + + Step Time + 756 756.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27227e+02 9.50151e+02 4.99795e+03 6.76818e+01 1.73983e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62843e+04 4.02232e+04 -4.01395e+05 2.16557e+03 2.74835e+02 + Potential Pressure (bar) + -3.34364e+05 -5.43988e+03 + + Step Time + 757 757.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30305e+02 9.47691e+02 4.99779e+03 6.75385e+01 1.73958e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62843e+04 4.02273e+04 -4.01411e+05 2.16506e+03 2.74951e+02 + Potential Pressure (bar) + -3.34377e+05 -5.44002e+03 + + Step Time + 758 758.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.37546e+02 9.51686e+02 4.99775e+03 6.77150e+01 1.73974e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62842e+04 4.02355e+04 -4.01436e+05 2.16390e+03 2.75113e+02 + Potential Pressure (bar) + -3.34383e+05 -5.44081e+03 + + Step Time + 759 759.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.43874e+02 9.48360e+02 4.99756e+03 6.75111e+01 1.73942e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62843e+04 4.02389e+04 -4.01451e+05 2.16351e+03 2.75224e+02 + Potential Pressure (bar) + -3.34392e+05 -5.44107e+03 + + Step Time + 760 760.00000 + + Step Time + 761 761.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.18136e+02 9.48200e+02 4.99756e+03 6.76300e+01 1.73952e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62842e+04 4.02433e+04 -4.01464e+05 2.16278e+03 2.75288e+02 + Potential Pressure (bar) + -3.34428e+05 -5.43988e+03 + + Step Time + 762 762.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.55939e+02 9.48869e+02 4.99705e+03 6.74728e+01 1.73911e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62841e+04 4.02673e+04 -4.01547e+05 2.15964e+03 2.75870e+02 + Potential Pressure (bar) + -3.34452e+05 -5.44242e+03 + + Step Time + 763 763.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22278e+02 9.49056e+02 4.99707e+03 6.76483e+01 1.73925e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62840e+04 4.02728e+04 -4.01564e+05 2.15873e+03 2.75944e+02 + Potential Pressure (bar) + -3.34497e+05 -5.44124e+03 + + Step Time + 764 764.00000 + + Step Time + 765 765.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25881e+02 9.47330e+02 4.99691e+03 6.75423e+01 1.73906e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62840e+04 4.02777e+04 -4.01582e+05 2.15811e+03 2.76071e+02 + Potential Pressure (bar) + -3.34509e+05 -5.44131e+03 + + Step Time + 766 766.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27676e+02 9.49954e+02 4.99687e+03 6.76712e+01 1.73916e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62840e+04 4.02850e+04 -4.01604e+05 2.15708e+03 2.76215e+02 + Potential Pressure (bar) + -3.34521e+05 -5.44178e+03 + + Step Time + 767 767.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33818e+02 9.47609e+02 4.99670e+03 6.75194e+01 1.73891e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62840e+04 4.02892e+04 -4.01621e+05 2.15655e+03 2.76336e+02 + Potential Pressure (bar) + -3.34530e+05 -5.44202e+03 + + Step Time + 768 768.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.38990e+02 9.51633e+02 4.99667e+03 6.77088e+01 1.73909e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62839e+04 4.02972e+04 -4.01645e+05 2.15545e+03 2.76488e+02 + Potential Pressure (bar) + -3.34538e+05 -5.44271e+03 + + Step Time + 769 769.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.50102e+02 9.48512e+02 4.99647e+03 6.74915e+01 1.73874e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62839e+04 4.03007e+04 -4.01660e+05 2.15506e+03 2.76605e+02 + Potential Pressure (bar) + -3.34542e+05 -5.44319e+03 + + Step Time + 770 770.00000 + + Step Time + 771 771.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.18135e+02 9.47899e+02 4.99648e+03 6.76187e+01 1.73886e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62839e+04 4.03050e+04 -4.01673e+05 2.15433e+03 2.76660e+02 + Potential Pressure (bar) + -3.34584e+05 -5.44165e+03 + + Step Time + 772 772.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.64172e+02 9.49103e+02 4.99583e+03 6.74461e+01 1.73836e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62837e+04 4.03372e+04 -4.01783e+05 2.15015e+03 2.77423e+02 + Potential Pressure (bar) + -3.34619e+05 -5.44463e+03 + + Step Time + 773 773.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22401e+02 9.48748e+02 4.99585e+03 6.76328e+01 1.73851e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62837e+04 4.03428e+04 -4.01799e+05 2.14920e+03 2.77489e+02 + Potential Pressure (bar) + -3.34673e+05 -5.44322e+03 + + Step Time + 774 774.00000 + + Step Time + 775 775.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28362e+02 9.47135e+02 4.99569e+03 6.75217e+01 1.73831e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62836e+04 4.03481e+04 -4.01818e+05 2.14856e+03 2.77625e+02 + Potential Pressure (bar) + -3.34683e+05 -5.44336e+03 + + Step Time + 776 776.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28197e+02 9.49733e+02 4.99565e+03 6.76595e+01 1.73843e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62836e+04 4.03551e+04 -4.01840e+05 2.14759e+03 2.77757e+02 + Potential Pressure (bar) + -3.34696e+05 -5.44370e+03 + + Step Time + 777 777.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.37962e+02 9.47555e+02 4.99548e+03 6.74990e+01 1.73815e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62836e+04 4.03595e+04 -4.01857e+05 2.14707e+03 2.77884e+02 + Potential Pressure (bar) + -3.34702e+05 -5.44411e+03 + + Step Time + 778 778.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.40629e+02 9.51572e+02 4.99547e+03 6.77019e+01 1.73836e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62835e+04 4.03673e+04 -4.01880e+05 2.14597e+03 2.78027e+02 + Potential Pressure (bar) + -3.34712e+05 -5.44464e+03 + + Step Time + 779 779.00000 + + Step Time + 780 780.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.18620e+02 9.47156e+02 4.99536e+03 6.75775e+01 1.73815e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62836e+04 4.03689e+04 -4.01888e+05 2.14570e+03 2.78066e+02 + Potential Pressure (bar) + -3.34745e+05 -5.44333e+03 + + Step Time + 781 781.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.53398e+02 9.52911e+02 4.99498e+03 6.77165e+01 1.73812e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62834e+04 4.03967e+04 -4.01978e+05 2.14203e+03 2.78669e+02 + Potential Pressure (bar) + -3.34770e+05 -5.44585e+03 + + Step Time + 782 782.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22137e+02 9.46851e+02 4.99485e+03 6.75452e+01 1.73781e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62834e+04 4.03982e+04 -4.01986e+05 2.14180e+03 2.78705e+02 + Potential Pressure (bar) + -3.34814e+05 -5.44438e+03 + + Step Time + 783 783.00000 + + Step Time + 784 784.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25877e+02 9.49088e+02 4.99478e+03 6.76473e+01 1.73789e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62833e+04 4.04059e+04 -4.02010e+05 2.14074e+03 2.78860e+02 + Potential Pressure (bar) + -3.34826e+05 -5.44471e+03 + + Step Time + 785 785.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26704e+02 9.46879e+02 4.99464e+03 6.75255e+01 1.73766e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62834e+04 4.04099e+04 -4.02025e+05 2.14026e+03 2.78962e+02 + Potential Pressure (bar) + -3.34839e+05 -5.44480e+03 + + Step Time + 786 786.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33796e+02 9.50312e+02 4.99460e+03 6.76743e+01 1.73780e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62833e+04 4.04179e+04 -4.02049e+05 2.13916e+03 2.79120e+02 + Potential Pressure (bar) + -3.34846e+05 -5.44543e+03 + + Step Time + 787 787.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.36376e+02 9.47261e+02 4.99443e+03 6.75010e+01 1.73751e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62833e+04 4.04214e+04 -4.02063e+05 2.13878e+03 2.79220e+02 + Potential Pressure (bar) + -3.34858e+05 -5.44552e+03 + + Step Time + 788 788.00000 + + Step Time + 789 789.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.18637e+02 9.47501e+02 4.99442e+03 6.76026e+01 1.73761e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62833e+04 4.04256e+04 -4.02076e+05 2.13812e+03 2.79285e+02 + Potential Pressure (bar) + -3.34884e+05 -5.44469e+03 + + Step Time + 790 790.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.45172e+02 9.47575e+02 4.99402e+03 6.74742e+01 1.73726e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62832e+04 4.04451e+04 -4.02142e+05 2.13565e+03 2.79735e+02 + Potential Pressure (bar) + -3.34907e+05 -5.44636e+03 + + Step Time + 791 791.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21961e+02 9.48218e+02 4.99402e+03 6.76235e+01 1.73739e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62831e+04 4.04504e+04 -4.02158e+05 2.13484e+03 2.79813e+02 + Potential Pressure (bar) + -3.34940e+05 -5.44558e+03 + + Step Time + 792 792.00000 + + Step Time + 793 793.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23644e+02 9.46629e+02 4.99389e+03 6.75338e+01 1.73722e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62831e+04 4.04550e+04 -4.02174e+05 2.13427e+03 2.79924e+02 + Potential Pressure (bar) + -3.34953e+05 -5.44557e+03 + + Step Time + 794 794.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26156e+02 9.48928e+02 4.99383e+03 6.76430e+01 1.73731e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62831e+04 4.04622e+04 -4.02197e+05 2.13330e+03 2.80064e+02 + Potential Pressure (bar) + -3.34964e+05 -5.44601e+03 + + Step Time + 795 795.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29282e+02 9.46752e+02 4.99368e+03 6.75142e+01 1.73707e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62831e+04 4.04664e+04 -4.02212e+05 2.13280e+03 2.80173e+02 + Potential Pressure (bar) + -3.34976e+05 -5.44609e+03 + + Step Time + 796 796.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.34806e+02 9.50245e+02 4.99365e+03 6.76736e+01 1.73723e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62830e+04 4.04742e+04 -4.02236e+05 2.13174e+03 2.80320e+02 + Potential Pressure (bar) + -3.34983e+05 -5.44672e+03 + + Step Time + 797 797.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.40981e+02 9.47303e+02 4.99347e+03 6.74901e+01 1.73692e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62830e+04 4.04777e+04 -4.02250e+05 2.13137e+03 2.80424e+02 + Potential Pressure (bar) + -3.34991e+05 -5.44697e+03 + + Step Time + 798 798.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.52617e+02 9.52714e+02 4.99347e+03 6.77256e+01 1.73718e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62830e+04 4.04862e+04 -4.02275e+05 2.13021e+03 2.80581e+02 + Potential Pressure (bar) + -3.34991e+05 -5.44797e+03 + + Step Time + 799 799.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.65321e+02 9.48879e+02 4.99326e+03 6.74606e+01 1.73675e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62830e+04 4.04889e+04 -4.02287e+05 2.13002e+03 2.80682e+02 + Potential Pressure (bar) + -3.34993e+05 -5.44845e+03 + + Step Time + 800 800.00000 + + Step Time + 801 801.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.18926e+02 9.47372e+02 4.99328e+03 6.76149e+01 1.73691e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62829e+04 4.04935e+04 -4.02301e+05 2.12920e+03 2.80728e+02 + Potential Pressure (bar) + -3.35051e+05 -5.44608e+03 + + Step Time + 802 802.00000 + + Step Time + 803 803.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.32419e+02 9.46651e+02 4.99301e+03 6.75073e+01 1.73667e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62829e+04 4.05064e+04 -4.02345e+05 2.12755e+03 2.81022e+02 + Potential Pressure (bar) + -3.35071e+05 -5.44679e+03 + + Step Time + 804 804.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21461e+02 9.47854e+02 4.99300e+03 6.76231e+01 1.73676e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62829e+04 4.05117e+04 -4.02361e+05 2.12680e+03 2.81108e+02 + Potential Pressure (bar) + -3.35092e+05 -5.44683e+03 + + Step Time + 805 805.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.41623e+02 9.47131e+02 4.99278e+03 6.74866e+01 1.73650e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62829e+04 4.05197e+04 -4.02388e+05 2.12589e+03 2.81308e+02 + Potential Pressure (bar) + -3.35093e+05 -5.44775e+03 + + Step Time + 806 806.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28056e+02 9.49006e+02 4.99277e+03 6.76534e+01 1.73667e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62828e+04 4.05259e+04 -4.02407e+05 2.12498e+03 2.81406e+02 + Potential Pressure (bar) + -3.35118e+05 -5.44742e+03 + + Step Time + 807 807.00000 + + Step Time + 808 808.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21070e+02 9.46388e+02 4.99267e+03 6.75502e+01 1.73648e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62828e+04 4.05286e+04 -4.02417e+05 2.12464e+03 2.81473e+02 + Potential Pressure (bar) + -3.35136e+05 -5.44690e+03 + + Step Time + 809 809.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.35171e+02 9.49984e+02 4.99256e+03 6.76726e+01 1.73657e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62827e+04 4.05396e+04 -4.02452e+05 2.12322e+03 2.81696e+02 + Potential Pressure (bar) + -3.35142e+05 -5.44802e+03 + + Step Time + 810 810.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25937e+02 9.46378e+02 4.99243e+03 6.75270e+01 1.73632e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62828e+04 4.05422e+04 -4.02462e+05 2.12289e+03 2.81764e+02 + Potential Pressure (bar) + -3.35164e+05 -5.44745e+03 + + Step Time + 811 811.00000 + + Step Time + 812 812.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.20330e+02 9.47436e+02 4.99240e+03 6.76116e+01 1.73639e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62827e+04 4.05472e+04 -4.02478e+05 2.12219e+03 2.81852e+02 + Potential Pressure (bar) + -3.35180e+05 -5.44727e+03 + + Step Time + 813 813.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30906e+02 9.46476e+02 4.99221e+03 6.75091e+01 1.73617e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62827e+04 4.05550e+04 -4.02504e+05 2.12126e+03 2.82035e+02 + Potential Pressure (bar) + -3.35190e+05 -5.44791e+03 + + Step Time + 814 814.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24184e+02 9.48163e+02 4.99219e+03 6.76337e+01 1.73629e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62827e+04 4.05608e+04 -4.02522e+05 2.12045e+03 2.82135e+02 + Potential Pressure (bar) + -3.35207e+05 -5.44779e+03 + + Step Time + 815 815.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.40403e+02 9.46911e+02 4.99200e+03 6.74889e+01 1.73602e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62827e+04 4.05667e+04 -4.02543e+05 2.11980e+03 2.82288e+02 + Potential Pressure (bar) + -3.35209e+05 -5.44859e+03 + + Step Time + 816 816.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33192e+02 9.49604e+02 4.99200e+03 6.76712e+01 1.73622e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62826e+04 4.05735e+04 -4.02563e+05 2.11885e+03 2.82400e+02 + Potential Pressure (bar) + -3.35227e+05 -5.44853e+03 + + Step Time + 817 817.00000 + + Step Time + 818 818.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.20088e+02 9.46261e+02 4.99190e+03 6.75603e+01 1.73602e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62826e+04 4.05756e+04 -4.02572e+05 2.11856e+03 2.82450e+02 + Potential Pressure (bar) + -3.35251e+05 -5.44769e+03 + + Step Time + 819 819.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.42488e+02 9.50772e+02 4.99174e+03 6.76908e+01 1.73609e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62825e+04 4.05905e+04 -4.02618e+05 2.11667e+03 2.82756e+02 + Potential Pressure (bar) + -3.35257e+05 -5.44928e+03 + + Step Time + 820 820.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24515e+02 9.46161e+02 4.99161e+03 6.75352e+01 1.73582e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62826e+04 4.05926e+04 -4.02627e+05 2.11640e+03 2.82807e+02 + Potential Pressure (bar) + -3.35287e+05 -5.44829e+03 + + Step Time + 821 821.00000 + + Step Time + 822 822.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22439e+02 9.47662e+02 4.99157e+03 6.76277e+01 1.73590e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62825e+04 4.05984e+04 -4.02645e+05 2.11562e+03 2.82914e+02 + Potential Pressure (bar) + -3.35301e+05 -5.44826e+03 + + Step Time + 823 823.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29449e+02 9.46243e+02 4.99141e+03 6.75173e+01 1.73568e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62825e+04 4.06040e+04 -4.02665e+05 2.11497e+03 2.83046e+02 + Potential Pressure (bar) + -3.35310e+05 -5.44868e+03 + + Step Time + 824 824.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27916e+02 9.48593e+02 4.99139e+03 6.76523e+01 1.73582e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62825e+04 4.06106e+04 -4.02685e+05 2.11408e+03 2.83163e+02 + Potential Pressure (bar) + -3.35323e+05 -5.44882e+03 + + Step Time + 825 825.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.39225e+02 9.46680e+02 4.99122e+03 6.74967e+01 1.73554e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62825e+04 4.06151e+04 -4.02701e+05 2.11360e+03 2.83285e+02 + Potential Pressure (bar) + -3.35327e+05 -5.44933e+03 + + Step Time + 826 826.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.39780e+02 9.50360e+02 4.99121e+03 6.76935e+01 1.73576e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62824e+04 4.06226e+04 -4.02723e+05 2.11259e+03 2.83414e+02 + Potential Pressure (bar) + -3.35338e+05 -5.44967e+03 + + Step Time + 827 827.00000 + + Step Time + 828 828.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.19349e+02 9.46169e+02 4.99111e+03 6.75726e+01 1.73555e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62824e+04 4.06242e+04 -4.02730e+05 2.11234e+03 2.83450e+02 + Potential Pressure (bar) + -3.35368e+05 -5.44844e+03 + + Step Time + 829 829.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.51797e+02 9.51674e+02 4.99084e+03 6.77119e+01 1.73558e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62823e+04 4.06470e+04 -4.02802e+05 2.10950e+03 2.83920e+02 + Potential Pressure (bar) + -3.35382e+05 -5.45058e+03 + + Step Time + 830 830.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23195e+02 9.45926e+02 4.99071e+03 6.75454e+01 1.73527e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62824e+04 4.06486e+04 -4.02810e+05 2.10929e+03 2.83953e+02 + Potential Pressure (bar) + -3.35423e+05 -5.44914e+03 + + Step Time + 831 831.00000 + + Step Time + 832 832.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25508e+02 9.47965e+02 4.99066e+03 6.76448e+01 1.73536e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62823e+04 4.06556e+04 -4.02831e+05 2.10836e+03 2.84086e+02 + Potential Pressure (bar) + -3.35434e+05 -5.44933e+03 + + Step Time + 833 833.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27992e+02 9.45990e+02 4.99052e+03 6.75269e+01 1.73513e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62823e+04 4.06598e+04 -4.02847e+05 2.10789e+03 2.84187e+02 + Potential Pressure (bar) + -3.35445e+05 -5.44946e+03 + + Step Time + 834 834.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.32938e+02 9.49127e+02 4.99048e+03 6.76728e+01 1.73529e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62823e+04 4.06672e+04 -4.02869e+05 2.10693e+03 2.84324e+02 + Potential Pressure (bar) + -3.35453e+05 -5.44994e+03 + + Step Time + 835 835.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.37980e+02 9.46418e+02 4.99032e+03 6.75048e+01 1.73499e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62823e+04 4.06708e+04 -4.02882e+05 2.10657e+03 2.84421e+02 + Potential Pressure (bar) + -3.35461e+05 -5.45011e+03 + + Step Time + 836 836.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.48205e+02 9.51276e+02 4.99032e+03 6.77198e+01 1.73524e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62822e+04 4.06791e+04 -4.02907e+05 2.10549e+03 2.84568e+02 + Potential Pressure (bar) + -3.35462e+05 -5.45093e+03 + + Step Time + 837 837.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.58786e+02 9.47719e+02 4.99012e+03 6.74788e+01 1.73483e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62823e+04 4.06818e+04 -4.02919e+05 2.10529e+03 2.84662e+02 + Potential Pressure (bar) + -3.35466e+05 -5.45128e+03 + + Step Time + 838 838.00000 + + Step Time + 839 839.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.19247e+02 9.46590e+02 4.99014e+03 6.76204e+01 1.73498e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62822e+04 4.06862e+04 -4.02932e+05 2.10453e+03 2.84707e+02 + Potential Pressure (bar) + -3.35515e+05 -5.44928e+03 + + Step Time + 840 840.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.77642e+02 9.48682e+02 4.98963e+03 6.74394e+01 1.73455e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62822e+04 4.07117e+04 -4.03015e+05 2.10162e+03 2.85282e+02 + Potential Pressure (bar) + -3.35516e+05 -5.45230e+03 + + Step Time + 841 841.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25078e+02 9.47666e+02 4.98967e+03 6.76479e+01 1.73474e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62821e+04 4.07174e+04 -4.03032e+05 2.10067e+03 2.85335e+02 + Potential Pressure (bar) + -3.35581e+05 -5.45038e+03 + + Step Time + 842 842.00000 + + Step Time + 843 843.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.31653e+02 9.45867e+02 4.98952e+03 6.75255e+01 1.73451e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62821e+04 4.07221e+04 -4.03048e+05 2.10016e+03 2.85449e+02 + Potential Pressure (bar) + -3.35589e+05 -5.45036e+03 + + Step Time + 844 844.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.32846e+02 9.48883e+02 4.98950e+03 6.76806e+01 1.73468e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62821e+04 4.07291e+04 -4.03069e+05 2.09923e+03 2.85572e+02 + Potential Pressure (bar) + -3.35599e+05 -5.45080e+03 + + Step Time + 845 845.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.44080e+02 9.46530e+02 4.98933e+03 6.75033e+01 1.73437e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62821e+04 4.07330e+04 -4.03083e+05 2.09888e+03 2.85680e+02 + Potential Pressure (bar) + -3.35602e+05 -5.45113e+03 + + Step Time + 846 846.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.49340e+02 9.51201e+02 4.98934e+03 6.77321e+01 1.73463e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62820e+04 4.07410e+04 -4.03106e+05 2.09782e+03 2.85814e+02 + Potential Pressure (bar) + -3.35608e+05 -5.45178e+03 + + Step Time + 847 847.00000 + + Step Time + 848 848.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.19445e+02 9.45766e+02 4.98923e+03 6.75926e+01 1.73439e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62821e+04 4.07422e+04 -4.03113e+05 2.09762e+03 2.85837e+02 + Potential Pressure (bar) + -3.35649e+05 -5.44995e+03 + + Step Time + 849 849.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.65928e+02 9.52795e+02 4.98889e+03 6.77511e+01 1.73443e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62820e+04 4.07706e+04 -4.03201e+05 2.09422e+03 2.86414e+02 + Potential Pressure (bar) + -3.35658e+05 -5.45268e+03 + + Step Time + 850 850.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23947e+02 9.45477e+02 4.98875e+03 6.75608e+01 1.73406e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62820e+04 4.07717e+04 -4.03208e+05 2.09404e+03 2.86431e+02 + Potential Pressure (bar) + -3.35714e+05 -5.45070e+03 + + Step Time + 851 851.00000 + + Step Time + 852 852.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29310e+02 9.48059e+02 4.98870e+03 6.76766e+01 1.73418e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62819e+04 4.07793e+04 -4.03231e+05 2.09307e+03 2.86573e+02 + Potential Pressure (bar) + -3.35722e+05 -5.45097e+03 + + Step Time + 853 853.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29925e+02 9.45609e+02 4.98856e+03 6.75423e+01 1.73392e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62819e+04 4.07829e+04 -4.03244e+05 2.09272e+03 2.86660e+02 + Potential Pressure (bar) + -3.35734e+05 -5.45097e+03 + + Step Time + 854 854.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.39686e+02 9.49584e+02 4.98854e+03 6.77117e+01 1.73412e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62819e+04 4.07909e+04 -4.03268e+05 2.09170e+03 2.86805e+02 + Potential Pressure (bar) + -3.35737e+05 -5.45168e+03 + + Step Time + 855 855.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.42648e+02 9.46249e+02 4.98837e+03 6.75202e+01 1.73377e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62819e+04 4.07939e+04 -4.03279e+05 2.09144e+03 2.86889e+02 + Potential Pressure (bar) + -3.35746e+05 -5.45166e+03 + + Step Time + 856 856.00000 + + Step Time + 857 857.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.19552e+02 9.46157e+02 4.98838e+03 6.76341e+01 1.73390e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62819e+04 4.07981e+04 -4.03292e+05 2.09081e+03 2.86944e+02 + Potential Pressure (bar) + -3.35778e+05 -5.45052e+03 + + Step Time + 858 858.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.54451e+02 9.46779e+02 4.98800e+03 6.74955e+01 1.73355e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62819e+04 4.08170e+04 -4.03353e+05 2.08870e+03 2.87356e+02 + Potential Pressure (bar) + -3.35788e+05 -5.45226e+03 + + Step Time + 859 859.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23821e+02 9.47003e+02 4.98802e+03 6.76627e+01 1.73372e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62818e+04 4.08224e+04 -4.03369e+05 2.08788e+03 2.87420e+02 + Potential Pressure (bar) + -3.35829e+05 -5.45115e+03 + + Step Time + 860 860.00000 + + Step Time + 861 861.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26169e+02 9.45299e+02 4.98789e+03 6.75631e+01 1.73353e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62818e+04 4.08267e+04 -4.03384e+05 2.08741e+03 2.87520e+02 + Potential Pressure (bar) + -3.35840e+05 -5.45103e+03 + + Step Time + 862 862.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29221e+02 9.47864e+02 4.98785e+03 6.76874e+01 1.73365e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62818e+04 4.08338e+04 -4.03405e+05 2.08653e+03 2.87646e+02 + Potential Pressure (bar) + -3.35849e+05 -5.45148e+03 + + Step Time + 863 863.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33698e+02 9.45576e+02 4.98770e+03 6.75456e+01 1.73339e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62818e+04 4.08376e+04 -4.03419e+05 2.08615e+03 2.87740e+02 + Potential Pressure (bar) + -3.35858e+05 -5.45152e+03 + + Step Time + 864 864.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.40403e+02 9.49490e+02 4.98770e+03 6.77267e+01 1.73360e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62818e+04 4.08453e+04 -4.03441e+05 2.08519e+03 2.87875e+02 + Potential Pressure (bar) + -3.35862e+05 -5.45215e+03 + + Step Time + 865 865.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.49307e+02 9.46469e+02 4.98752e+03 6.75227e+01 1.73324e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62818e+04 4.08484e+04 -4.03454e+05 2.08494e+03 2.87966e+02 + Potential Pressure (bar) + -3.35866e+05 -5.45239e+03 + + Step Time + 866 866.00000 + + Step Time + 867 867.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.19353e+02 9.45855e+02 4.98752e+03 6.76442e+01 1.73338e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62818e+04 4.08525e+04 -4.03466e+05 2.08428e+03 2.88013e+02 + Potential Pressure (bar) + -3.35905e+05 -5.45090e+03 + + Step Time + 868 868.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.63365e+02 9.47076e+02 4.98701e+03 6.74944e+01 1.73294e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62817e+04 4.08801e+04 -4.03554e+05 2.08122e+03 2.88597e+02 + Potential Pressure (bar) + -3.35924e+05 -5.45303e+03 + + Step Time + 869 869.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23547e+02 9.46664e+02 4.98704e+03 6.76722e+01 1.73312e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62817e+04 4.08854e+04 -4.03570e+05 2.08040e+03 2.88652e+02 + Potential Pressure (bar) + -3.35975e+05 -5.45165e+03 + + Step Time + 870 870.00000 + + Step Time + 871 871.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28935e+02 9.45140e+02 4.98690e+03 6.75686e+01 1.73291e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62817e+04 4.08903e+04 -4.03586e+05 2.07990e+03 2.88763e+02 + Potential Pressure (bar) + -3.35984e+05 -5.45162e+03 + + Step Time + 872 872.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29202e+02 9.47600e+02 4.98688e+03 6.77005e+01 1.73305e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62816e+04 4.08970e+04 -4.03606e+05 2.07905e+03 2.88877e+02 + Potential Pressure (bar) + -3.35995e+05 -5.45187e+03 + + Step Time + 873 873.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.38279e+02 9.45575e+02 4.98672e+03 6.75511e+01 1.73277e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62817e+04 4.09011e+04 -4.03621e+05 2.07867e+03 2.88981e+02 + Potential Pressure (bar) + -3.35999e+05 -5.45211e+03 + + Step Time + 874 874.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.41274e+02 9.49365e+02 4.98672e+03 6.77445e+01 1.73300e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62816e+04 4.09085e+04 -4.03642e+05 2.07773e+03 2.89105e+02 + Potential Pressure (bar) + -3.36007e+05 -5.45257e+03 + + Step Time + 875 875.00000 + + Step Time + 876 876.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.19653e+02 9.45134e+02 4.98663e+03 6.76284e+01 1.73279e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62816e+04 4.09101e+04 -4.03648e+05 2.07755e+03 2.89133e+02 + Potential Pressure (bar) + -3.36038e+05 -5.45121e+03 + + Step Time + 877 877.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.53385e+02 9.50616e+02 4.98633e+03 6.77691e+01 1.73282e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62816e+04 4.09357e+04 -4.03727e+05 2.07458e+03 2.89634e+02 + Potential Pressure (bar) + -3.36055e+05 -5.45316e+03 + + Step Time + 878 878.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23151e+02 9.44861e+02 4.98620e+03 6.76078e+01 1.73249e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62816e+04 4.09371e+04 -4.03734e+05 2.07442e+03 2.89660e+02 + Potential Pressure (bar) + -3.36097e+05 -5.45165e+03 + + Step Time + 879 879.00000 + + Step Time + 880 880.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26597e+02 9.46940e+02 4.98615e+03 6.77066e+01 1.73260e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62815e+04 4.09443e+04 -4.03756e+05 2.07354e+03 2.89789e+02 + Potential Pressure (bar) + -3.36107e+05 -5.45182e+03 + + Step Time + 881 881.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27687e+02 9.44917e+02 4.98602e+03 6.75929e+01 1.73237e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62815e+04 4.09481e+04 -4.03769e+05 2.07317e+03 2.89875e+02 + Potential Pressure (bar) + -3.36117e+05 -5.45182e+03 + + Step Time + 882 882.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.34168e+02 9.48098e+02 4.98599e+03 6.77365e+01 1.73253e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62815e+04 4.09557e+04 -4.03791e+05 2.07225e+03 2.90008e+02 + Potential Pressure (bar) + -3.36123e+05 -5.45229e+03 + + Step Time + 883 883.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.37278e+02 9.45332e+02 4.98584e+03 6.75747e+01 1.73223e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62815e+04 4.09590e+04 -4.03803e+05 2.07198e+03 2.90092e+02 + Potential Pressure (bar) + -3.36132e+05 -5.45230e+03 + + Step Time + 884 884.00000 + + Step Time + 885 885.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.19608e+02 9.45430e+02 4.98584e+03 6.76715e+01 1.73234e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62815e+04 4.09629e+04 -4.03815e+05 2.07141e+03 2.90145e+02 + Potential Pressure (bar) + -3.36158e+05 -5.45144e+03 + + Step Time + 886 886.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.46115e+02 9.45655e+02 4.98546e+03 6.75566e+01 1.73199e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62815e+04 4.09834e+04 -4.03880e+05 2.06921e+03 2.90567e+02 + Potential Pressure (bar) + -3.36178e+05 -5.45265e+03 + + Step Time + 887 887.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22656e+02 9.46068e+02 4.98547e+03 6.76995e+01 1.73215e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62815e+04 4.09885e+04 -4.03895e+05 2.06851e+03 2.90631e+02 + Potential Pressure (bar) + -3.36212e+05 -5.45180e+03 + + Step Time + 888 888.00000 + + Step Time + 889 889.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24848e+02 9.44649e+02 4.98535e+03 6.76164e+01 1.73197e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62814e+04 4.09930e+04 -4.03910e+05 2.06804e+03 2.90729e+02 + Potential Pressure (bar) + -3.36222e+05 -5.45171e+03 + + Step Time + 890 890.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26569e+02 9.46732e+02 4.98531e+03 6.77215e+01 1.73208e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62814e+04 4.09997e+04 -4.03930e+05 2.06723e+03 2.90844e+02 + Potential Pressure (bar) + -3.36232e+05 -5.45200e+03 + + Step Time + 891 891.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30547e+02 9.44815e+02 4.98518e+03 6.76013e+01 1.73184e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62814e+04 4.10038e+04 -4.03944e+05 2.06686e+03 2.90939e+02 + Potential Pressure (bar) + -3.36241e+05 -5.45203e+03 + + Step Time + 892 892.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.34727e+02 9.47969e+02 4.98516e+03 6.77556e+01 1.73202e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62814e+04 4.10110e+04 -4.03965e+05 2.06597e+03 2.91061e+02 + Potential Pressure (bar) + -3.36248e+05 -5.45246e+03 + + Step Time + 893 893.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.42290e+02 9.45411e+02 4.98500e+03 6.75833e+01 1.73170e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62814e+04 4.10144e+04 -4.03977e+05 2.06570e+03 2.91152e+02 + Potential Pressure (bar) + -3.36253e+05 -5.45262e+03 + + Step Time + 894 894.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.51660e+02 9.50313e+02 4.98501e+03 6.78093e+01 1.73199e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62814e+04 4.10224e+04 -4.04000e+05 2.06472e+03 2.91285e+02 + Potential Pressure (bar) + -3.36253e+05 -5.45342e+03 + + Step Time + 895 895.00000 + + Step Time + 896 896.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.19656e+02 9.44766e+02 4.98491e+03 6.76728e+01 1.73173e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62814e+04 4.10235e+04 -4.04005e+05 2.06456e+03 2.91299e+02 + Potential Pressure (bar) + -3.36295e+05 -5.45144e+03 + + Step Time + 897 897.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.68511e+02 9.51769e+02 4.98447e+03 6.78289e+01 1.73174e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62813e+04 4.10596e+04 -4.04115e+05 2.06058e+03 2.91995e+02 + Potential Pressure (bar) + -3.36317e+05 -5.45397e+03 + + Step Time + 898 898.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23581e+02 9.44384e+02 4.98434e+03 6.76461e+01 1.73135e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62813e+04 4.10606e+04 -4.04120e+05 2.06045e+03 2.92002e+02 + Potential Pressure (bar) + -3.36375e+05 -5.45190e+03 + + Step Time + 899 899.00000 + + Step Time + 900 900.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30915e+02 9.47084e+02 4.98429e+03 6.77612e+01 1.73148e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62813e+04 4.10685e+04 -4.04144e+05 2.05955e+03 2.92146e+02 + Potential Pressure (bar) + -3.36381e+05 -5.45223e+03 + + Step Time + 901 901.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29110e+02 9.44508e+02 4.98417e+03 6.76306e+01 1.73122e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62813e+04 4.10717e+04 -4.04155e+05 2.05926e+03 2.92218e+02 + Potential Pressure (bar) + -3.36394e+05 -5.45199e+03 + + Step Time + 902 902.00000 + + Step Time + 903 903.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.20038e+02 9.45060e+02 4.98415e+03 6.77092e+01 1.73131e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62813e+04 4.10757e+04 -4.04167e+05 2.05873e+03 2.92279e+02 + Potential Pressure (bar) + -3.36411e+05 -5.45152e+03 + + Step Time + 904 904.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.34426e+02 9.44652e+02 4.98391e+03 6.76182e+01 1.73105e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62813e+04 4.10886e+04 -4.04208e+05 2.05743e+03 2.92540e+02 + Potential Pressure (bar) + -3.36426e+05 -5.45210e+03 + + Step Time + 905 905.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22525e+02 9.45603e+02 4.98390e+03 6.77336e+01 1.73118e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62812e+04 4.10935e+04 -4.04222e+05 2.05680e+03 2.92612e+02 + Potential Pressure (bar) + -3.36447e+05 -5.45168e+03 + + Step Time + 906 906.00000 + + Step Time + 907 907.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22034e+02 9.44264e+02 4.98380e+03 6.76665e+01 1.73103e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62813e+04 4.10974e+04 -4.04235e+05 2.05641e+03 2.92691e+02 + Potential Pressure (bar) + -3.36458e+05 -5.45146e+03 + + Step Time + 908 908.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25445e+02 9.46092e+02 4.98374e+03 6.77524e+01 1.73111e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62812e+04 4.11047e+04 -4.04257e+05 2.05557e+03 2.92821e+02 + Potential Pressure (bar) + -3.36469e+05 -5.45182e+03 + + Step Time + 909 909.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25245e+02 9.44249e+02 4.98363e+03 6.76559e+01 1.73091e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62812e+04 4.11084e+04 -4.04269e+05 2.05523e+03 2.92900e+02 + Potential Pressure (bar) + -3.36479e+05 -5.45163e+03 + + Step Time + 910 910.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.31262e+02 9.46994e+02 4.98359e+03 6.77794e+01 1.73105e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62812e+04 4.11159e+04 -4.04291e+05 2.05437e+03 2.93030e+02 + Potential Pressure (bar) + -3.36486e+05 -5.45210e+03 + + Step Time + 911 911.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.32130e+02 9.44470e+02 4.98346e+03 6.76409e+01 1.73077e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62812e+04 4.11192e+04 -4.04303e+05 2.05410e+03 2.93108e+02 + Potential Pressure (bar) + -3.36496e+05 -5.45194e+03 + + Step Time + 912 912.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.42973e+02 9.48658e+02 4.98345e+03 6.78201e+01 1.73100e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62812e+04 4.11271e+04 -4.04325e+05 2.05318e+03 2.93243e+02 + Potential Pressure (bar) + -3.36497e+05 -5.45272e+03 + + Step Time + 913 913.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.46762e+02 9.45291e+02 4.98328e+03 6.76209e+01 1.73062e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62812e+04 4.11299e+04 -4.04336e+05 2.05303e+03 2.93319e+02 + Potential Pressure (bar) + -3.36505e+05 -5.45264e+03 + + Step Time + 914 914.00000 + + Step Time + 915 915.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.20166e+02 9.44911e+02 4.98329e+03 6.77398e+01 1.73078e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62812e+04 4.11340e+04 -4.04348e+05 2.05241e+03 2.93366e+02 + Potential Pressure (bar) + -3.36540e+05 -5.45129e+03 + + Step Time + 916 916.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.60441e+02 9.45956e+02 4.98292e+03 6.75986e+01 1.73041e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62812e+04 4.11533e+04 -4.04408e+05 2.05055e+03 2.93764e+02 + Potential Pressure (bar) + -3.36542e+05 -5.45305e+03 + + Step Time + 917 917.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24894e+02 9.45811e+02 4.98295e+03 6.77741e+01 1.73061e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62811e+04 4.11586e+04 -4.04423e+05 2.04978e+03 2.93820e+02 + Potential Pressure (bar) + -3.36588e+05 -5.45172e+03 + + Step Time + 918 918.00000 + + Step Time + 919 919.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27972e+02 9.44112e+02 4.98282e+03 6.76702e+01 1.73040e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62811e+04 4.11628e+04 -4.04437e+05 2.04940e+03 2.93911e+02 + Potential Pressure (bar) + -3.36597e+05 -5.45151e+03 + + Step Time + 920 920.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30922e+02 9.46749e+02 4.98280e+03 6.78008e+01 1.73055e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62811e+04 4.11696e+04 -4.04457e+05 2.04860e+03 2.94026e+02 + Potential Pressure (bar) + -3.36605e+05 -5.45191e+03 + + Step Time + 921 921.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.36717e+02 9.44501e+02 4.98265e+03 6.76523e+01 1.73026e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62811e+04 4.11733e+04 -4.04469e+05 2.04833e+03 2.94114e+02 + Potential Pressure (bar) + -3.36611e+05 -5.45192e+03 + + Step Time + 922 922.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.43463e+02 9.48533e+02 4.98266e+03 6.78439e+01 1.73052e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62811e+04 4.11808e+04 -4.04491e+05 2.04743e+03 2.94237e+02 + Potential Pressure (bar) + -3.36614e+05 -5.45255e+03 + + Step Time + 923 923.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.54768e+02 9.45628e+02 4.98248e+03 6.76302e+01 1.73012e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62811e+04 4.11838e+04 -4.04502e+05 2.04733e+03 2.94322e+02 + Potential Pressure (bar) + -3.36614e+05 -5.45279e+03 + + Step Time + 924 924.00000 + + Step Time + 925 925.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.19887e+02 9.44597e+02 4.98250e+03 6.77571e+01 1.73028e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62811e+04 4.11878e+04 -4.04514e+05 2.04668e+03 2.94360e+02 + Potential Pressure (bar) + -3.36659e+05 -5.45101e+03 + + Step Time + 926 926.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.71122e+02 9.46355e+02 4.98197e+03 6.75987e+01 1.72982e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62810e+04 4.12180e+04 -4.04606e+05 2.04376e+03 2.94967e+02 + Potential Pressure (bar) + -3.36672e+05 -5.45304e+03 + + Step Time + 927 927.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24440e+02 9.45422e+02 4.98201e+03 6.77861e+01 1.73002e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62810e+04 4.12233e+04 -4.04622e+05 2.04294e+03 2.95012e+02 + Potential Pressure (bar) + -3.36730e+05 -5.45144e+03 + + Step Time + 928 928.00000 + + Step Time + 929 929.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.31373e+02 9.43986e+02 4.98187e+03 6.76797e+01 1.72980e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62810e+04 4.12282e+04 -4.04638e+05 2.04253e+03 2.95117e+02 + Potential Pressure (bar) + -3.36736e+05 -5.45135e+03 + + Step Time + 930 930.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30680e+02 9.46442e+02 4.98186e+03 6.78188e+01 1.72997e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62810e+04 4.12345e+04 -4.04656e+05 2.04177e+03 2.95220e+02 + Potential Pressure (bar) + -3.36747e+05 -5.45153e+03 + + Step Time + 931 931.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.42280e+02 9.44569e+02 4.98170e+03 6.76625e+01 1.72966e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62810e+04 4.12386e+04 -4.04669e+05 2.04151e+03 2.95318e+02 + Potential Pressure (bar) + -3.36747e+05 -5.45177e+03 + + Step Time + 932 932.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.44138e+02 9.48375e+02 4.98171e+03 6.78678e+01 1.72994e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62810e+04 4.12458e+04 -4.04690e+05 2.04063e+03 2.95431e+02 + Potential Pressure (bar) + -3.36756e+05 -5.45217e+03 + + Step Time + 933 933.00000 + + Step Time + 934 934.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.20423e+02 9.43859e+02 4.98162e+03 6.77453e+01 1.72970e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62810e+04 4.12472e+04 -4.04696e+05 2.04048e+03 2.95454e+02 + Potential Pressure (bar) + -3.36788e+05 -5.45062e+03 + + Step Time + 935 935.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.57488e+02 9.49766e+02 4.98139e+03 6.78929e+01 1.72980e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62809e+04 4.12693e+04 -4.04761e+05 2.03822e+03 2.95867e+02 + Potential Pressure (bar) + -3.36791e+05 -5.45249e+03 + + Step Time + 936 936.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24711e+02 9.43662e+02 4.98127e+03 6.77224e+01 1.72944e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62809e+04 4.12706e+04 -4.04767e+05 2.03811e+03 2.95885e+02 + Potential Pressure (bar) + -3.36835e+05 -5.45077e+03 + + Step Time + 937 937.00000 + + Step Time + 938 938.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27574e+02 9.45730e+02 4.98123e+03 6.78266e+01 1.72957e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62809e+04 4.12773e+04 -4.04786e+05 2.03737e+03 2.95999e+02 + Potential Pressure (bar) + -3.36843e+05 -5.45085e+03 + + Step Time + 939 939.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30137e+02 9.43785e+02 4.98110e+03 6.77071e+01 1.72932e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62809e+04 4.12811e+04 -4.04799e+05 2.03708e+03 2.96082e+02 + Potential Pressure (bar) + -3.36851e+05 -5.45088e+03 + + Step Time + 940 940.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.35897e+02 9.46985e+02 4.98108e+03 6.78581e+01 1.72953e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62809e+04 4.12883e+04 -4.04820e+05 2.03625e+03 2.96201e+02 + Potential Pressure (bar) + -3.36857e+05 -5.45129e+03 + + Step Time + 941 941.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.41462e+02 9.44358e+02 4.98093e+03 6.76869e+01 1.72919e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62809e+04 4.12915e+04 -4.04831e+05 2.03609e+03 2.96281e+02 + Potential Pressure (bar) + -3.36862e+05 -5.45131e+03 + + Step Time + 942 942.00000 + + Step Time + 943 943.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.20057e+02 9.44150e+02 4.98094e+03 6.77891e+01 1.72932e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62809e+04 4.12953e+04 -4.04842e+05 2.03554e+03 2.96326e+02 + Potential Pressure (bar) + -3.36892e+05 -5.45023e+03 + + Step Time + 944 944.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.51882e+02 9.44741e+02 4.98051e+03 6.76655e+01 1.72893e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62809e+04 4.13201e+04 -4.04917e+05 2.03323e+03 2.96808e+02 + Potential Pressure (bar) + -3.36913e+05 -5.45132e+03 + + Step Time + 945 945.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23219e+02 9.44773e+02 4.98053e+03 6.78154e+01 1.72911e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62808e+04 4.13250e+04 -4.04931e+05 2.03254e+03 2.96861e+02 + Potential Pressure (bar) + -3.36951e+05 -5.45030e+03 + + Step Time + 946 946.00000 + + Step Time + 947 947.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26862e+02 9.43444e+02 4.98041e+03 6.77292e+01 1.72892e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62808e+04 4.13298e+04 -4.04946e+05 2.03215e+03 2.96960e+02 + Potential Pressure (bar) + -3.36959e+05 -5.45015e+03 + + Step Time + 948 948.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27411e+02 9.45487e+02 4.98039e+03 6.78403e+01 1.72905e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62808e+04 4.13360e+04 -4.04965e+05 2.03144e+03 2.97061e+02 + Potential Pressure (bar) + -3.36969e+05 -5.45035e+03 + + Step Time + 949 949.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33688e+02 9.43712e+02 4.98025e+03 6.77146e+01 1.72879e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62808e+04 4.13402e+04 -4.04978e+05 2.03114e+03 2.97153e+02 + Potential Pressure (bar) + -3.36974e+05 -5.45037e+03 + + Step Time + 950 950.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.36332e+02 9.46822e+02 4.98024e+03 6.78758e+01 1.72901e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62808e+04 4.13470e+04 -4.04998e+05 2.03034e+03 2.97262e+02 + Potential Pressure (bar) + -3.36982e+05 -5.45072e+03 + + Step Time + 951 951.00000 + + Step Time + 952 952.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.20205e+02 9.43514e+02 4.98016e+03 6.77791e+01 1.72881e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62808e+04 4.13486e+04 -4.05003e+05 2.03021e+03 2.97290e+02 + Potential Pressure (bar) + -3.37006e+05 -5.44963e+03 + + Step Time + 953 953.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.45169e+02 9.47738e+02 4.97987e+03 6.78991e+01 1.72884e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62807e+04 4.13733e+04 -4.05077e+05 2.02774e+03 2.97741e+02 + Potential Pressure (bar) + -3.37028e+05 -5.45076e+03 + + Step Time + 954 954.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22762e+02 9.43237e+02 4.97977e+03 6.77637e+01 1.72855e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62807e+04 4.13750e+04 -4.05083e+05 2.02764e+03 2.97767e+02 + Potential Pressure (bar) + -3.37060e+05 -5.44953e+03 + + Step Time + 955 955.00000 + + Step Time + 956 956.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25409e+02 9.44917e+02 4.97972e+03 6.78465e+01 1.72864e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62807e+04 4.13817e+04 -4.05103e+05 2.02691e+03 2.97881e+02 + Potential Pressure (bar) + -3.37069e+05 -5.44963e+03 + + Step Time + 957 957.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26097e+02 9.43238e+02 4.97961e+03 6.77508e+01 1.72843e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62807e+04 4.13855e+04 -4.05114e+05 2.02662e+03 2.97960e+02 + Potential Pressure (bar) + -3.37078e+05 -5.44949e+03 + + Step Time + 958 958.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30963e+02 9.45798e+02 4.97958e+03 6.78706e+01 1.72858e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62807e+04 4.13925e+04 -4.05135e+05 2.02586e+03 2.98077e+02 + Potential Pressure (bar) + -3.37085e+05 -5.44979e+03 + + Step Time + 959 959.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33151e+02 9.43494e+02 4.97945e+03 6.77343e+01 1.72830e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62807e+04 4.13960e+04 -4.05146e+05 2.02566e+03 2.98152e+02 + Potential Pressure (bar) + -3.37093e+05 -5.44965e+03 + + Step Time + 960 960.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.42257e+02 9.47408e+02 4.97944e+03 6.79102e+01 1.72855e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62807e+04 4.14034e+04 -4.05167e+05 2.02481e+03 2.98276e+02 + Potential Pressure (bar) + -3.37094e+05 -5.45032e+03 + + Step Time + 961 961.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.47997e+02 9.44357e+02 4.97928e+03 6.77130e+01 1.72816e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62807e+04 4.14062e+04 -4.05177e+05 2.02475e+03 2.98348e+02 + Potential Pressure (bar) + -3.37099e+05 -5.45026e+03 + + Step Time + 962 962.00000 + + Step Time + 963 963.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.20453e+02 9.43809e+02 4.97929e+03 6.78301e+01 1.72832e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62806e+04 4.14102e+04 -4.05188e+05 2.02416e+03 2.98390e+02 + Potential Pressure (bar) + -3.37135e+05 -5.44885e+03 + + Step Time + 964 964.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.61850e+02 9.45005e+02 4.97890e+03 6.76858e+01 1.72793e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62806e+04 4.14321e+04 -4.05254e+05 2.02230e+03 2.98819e+02 + Potential Pressure (bar) + -3.37139e+05 -5.45035e+03 + + Step Time + 965 965.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24837e+02 9.44622e+02 4.97893e+03 6.78582e+01 1.72814e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62806e+04 4.14371e+04 -4.05269e+05 2.02154e+03 2.98868e+02 + Potential Pressure (bar) + -3.37186e+05 -5.44898e+03 + + Step Time + 966 966.00000 + + Step Time + 967 967.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28984e+02 9.43098e+02 4.97881e+03 6.77570e+01 1.72793e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62806e+04 4.14415e+04 -4.05282e+05 2.02122e+03 2.98960e+02 + Potential Pressure (bar) + -3.37194e+05 -5.44879e+03 + + Step Time + 968 968.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30554e+02 9.45525e+02 4.97879e+03 6.78849e+01 1.72810e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62806e+04 4.14479e+04 -4.05301e+05 2.02049e+03 2.99062e+02 + Potential Pressure (bar) + -3.37202e+05 -5.44910e+03 + + Step Time + 969 969.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.37939e+02 9.43526e+02 4.97864e+03 6.77380e+01 1.72780e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62805e+04 4.14517e+04 -4.05313e+05 2.02030e+03 2.99148e+02 + Potential Pressure (bar) + -3.37206e+05 -5.44911e+03 + + Step Time + 970 970.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.42607e+02 9.47248e+02 4.97865e+03 6.79256e+01 1.72807e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62805e+04 4.14588e+04 -4.05334e+05 2.01947e+03 2.99262e+02 + Potential Pressure (bar) + -3.37211e+05 -5.44959e+03 + + Step Time + 971 971.00000 + + Step Time + 972 972.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.20428e+02 9.43096e+02 4.97857e+03 6.78126e+01 1.72784e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62805e+04 4.14602e+04 -4.05338e+05 2.01937e+03 2.99281e+02 + Potential Pressure (bar) + -3.37241e+05 -5.44810e+03 + + Step Time + 973 973.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.54464e+02 9.48395e+02 4.97827e+03 6.79443e+01 1.72790e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62805e+04 4.14868e+04 -4.05416e+05 2.01681e+03 2.99763e+02 + Potential Pressure (bar) + -3.37256e+05 -5.44962e+03 + + Step Time + 974 974.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23694e+02 9.42810e+02 4.97815e+03 6.77883e+01 1.72755e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62804e+04 4.14882e+04 -4.05422e+05 2.01675e+03 2.99779e+02 + Potential Pressure (bar) + -3.37297e+05 -5.44800e+03 + + Step Time + 975 975.00000 + + Step Time + 976 976.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27731e+02 9.44823e+02 4.97811e+03 6.78842e+01 1.72768e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62805e+04 4.14951e+04 -4.05442e+05 2.01602e+03 2.99896e+02 + Potential Pressure (bar) + -3.37304e+05 -5.44810e+03 + + Step Time + 977 977.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28053e+02 9.42872e+02 4.97800e+03 6.77733e+01 1.72744e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62804e+04 4.14986e+04 -4.05453e+05 2.01580e+03 2.99968e+02 + Potential Pressure (bar) + -3.37314e+05 -5.44794e+03 + + Step Time + 978 978.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.35231e+02 9.45952e+02 4.97797e+03 6.79120e+01 1.72763e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62804e+04 4.15058e+04 -4.05473e+05 2.01503e+03 3.00087e+02 + Potential Pressure (bar) + -3.37317e+05 -5.44838e+03 + + Step Time + 979 979.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.37341e+02 9.43293e+02 4.97783e+03 6.77531e+01 1.72731e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62804e+04 4.15089e+04 -4.05483e+05 2.01491e+03 3.00157e+02 + Potential Pressure (bar) + -3.37326e+05 -5.44818e+03 + + Step Time + 980 980.00000 + + Step Time + 981 981.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.20576e+02 9.43355e+02 4.97784e+03 6.78473e+01 1.72744e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62804e+04 4.15127e+04 -4.05494e+05 2.01440e+03 3.00204e+02 + Potential Pressure (bar) + -3.37350e+05 -5.44734e+03 + + Step Time + 982 982.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.46096e+02 9.43626e+02 4.97751e+03 6.77325e+01 1.72710e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62803e+04 4.15313e+04 -4.05550e+05 2.01286e+03 3.00557e+02 + Potential Pressure (bar) + -3.37363e+05 -5.44808e+03 + + Step Time + 983 983.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23621e+02 9.43965e+02 4.97752e+03 6.78705e+01 1.72728e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62803e+04 4.15359e+04 -4.05563e+05 2.01222e+03 3.00613e+02 + Potential Pressure (bar) + -3.37394e+05 -5.44727e+03 + + Step Time + 984 984.00000 + + Step Time + 985 985.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25493e+02 9.42615e+02 4.97741e+03 6.77887e+01 1.72710e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62803e+04 4.15403e+04 -4.05577e+05 2.01190e+03 3.00696e+02 + Potential Pressure (bar) + -3.37403e+05 -5.44701e+03 + + Step Time + 986 986.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27474e+02 9.44600e+02 4.97738e+03 6.78902e+01 1.72723e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62803e+04 4.15466e+04 -4.05595e+05 2.01123e+03 3.00800e+02 + Potential Pressure (bar) + -3.37411e+05 -5.44727e+03 + + Step Time + 987 987.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.31065e+02 9.42790e+02 4.97725e+03 6.77728e+01 1.72698e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62803e+04 4.15504e+04 -4.05606e+05 2.01099e+03 3.00880e+02 + Potential Pressure (bar) + -3.37418e+05 -5.44711e+03 + + Step Time + 988 988.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.35477e+02 9.45793e+02 4.97725e+03 6.79213e+01 1.72719e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62803e+04 4.15572e+04 -4.05626e+05 2.01026e+03 3.00989e+02 + Potential Pressure (bar) + -3.37424e+05 -5.44750e+03 + + Step Time + 989 989.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.42570e+02 9.43406e+02 4.97710e+03 6.77525e+01 1.72685e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62803e+04 4.15605e+04 -4.05636e+05 2.01015e+03 3.01066e+02 + Potential Pressure (bar) + -3.37426e+05 -5.44753e+03 + + Step Time + 990 990.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.52062e+02 9.48063e+02 4.97712e+03 6.79708e+01 1.72718e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62803e+04 4.15680e+04 -4.05658e+05 2.00929e+03 3.01184e+02 + Potential Pressure (bar) + -3.37427e+05 -5.44825e+03 + + Step Time + 991 991.00000 + + Step Time + 992 992.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.20536e+02 9.42709e+02 4.97702e+03 6.78376e+01 1.72691e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62802e+04 4.15691e+04 -4.05661e+05 2.00922e+03 3.01193e+02 + Potential Pressure (bar) + -3.37467e+05 -5.44626e+03 + + Step Time + 993 993.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.68268e+02 9.49428e+02 4.97665e+03 6.79818e+01 1.72698e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62802e+04 4.16021e+04 -4.05758e+05 2.00619e+03 3.01788e+02 + Potential Pressure (bar) + -3.37478e+05 -5.44818e+03 + + Step Time + 994 994.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24475e+02 9.42355e+02 4.97652e+03 6.78047e+01 1.72656e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62801e+04 4.16031e+04 -4.05762e+05 2.00616e+03 3.01789e+02 + Potential Pressure (bar) + -3.37533e+05 -5.44606e+03 + + Step Time + 995 995.00000 + + Step Time + 996 996.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.31453e+02 9.44894e+02 4.97649e+03 6.79143e+01 1.72672e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62801e+04 4.16105e+04 -4.05783e+05 2.00541e+03 3.01913e+02 + Potential Pressure (bar) + -3.37538e+05 -5.44624e+03 + + Step Time + 997 997.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29978e+02 9.42500e+02 4.97637e+03 6.77850e+01 1.72644e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62801e+04 4.16136e+04 -4.05793e+05 2.00526e+03 3.01976e+02 + Potential Pressure (bar) + -3.37549e+05 -5.44593e+03 + + Step Time + 998 998.00000 + + Step Time + 999 999.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.20893e+02 9.42958e+02 4.97636e+03 6.78604e+01 1.72655e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62801e+04 4.16173e+04 -4.05803e+05 2.00482e+03 3.02029e+02 + Potential Pressure (bar) + -3.37565e+05 -5.44546e+03 + + Step Time + 1000 1000.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.35304e+02 9.42649e+02 4.97612e+03 6.77674e+01 1.72628e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62800e+04 4.16304e+04 -4.05842e+05 2.00380e+03 3.02272e+02 + Potential Pressure (bar) + -3.37577e+05 -5.44570e+03 + + Step Time + 1001 1001.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23244e+02 9.43459e+02 4.97612e+03 6.78787e+01 1.72644e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62800e+04 4.16349e+04 -4.05855e+05 2.00322e+03 3.02333e+02 + Potential Pressure (bar) + -3.37598e+05 -5.44526e+03 + + Step Time + 1002 1002.00000 + + Step Time + 1003 1003.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23019e+02 9.42217e+02 4.97603e+03 6.78128e+01 1.72629e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62800e+04 4.16387e+04 -4.05867e+05 2.00296e+03 3.02404e+02 + Potential Pressure (bar) + -3.37607e+05 -5.44498e+03 + + Step Time + 1004 1004.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26029e+02 9.43917e+02 4.97598e+03 6.78942e+01 1.72638e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62800e+04 4.16454e+04 -4.05886e+05 2.00229e+03 3.02514e+02 + Potential Pressure (bar) + -3.37615e+05 -5.44520e+03 + + Step Time + 1005 1005.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26267e+02 9.42222e+02 4.97587e+03 6.77990e+01 1.72617e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62800e+04 4.16490e+04 -4.05897e+05 2.00206e+03 3.02584e+02 + Potential Pressure (bar) + -3.37625e+05 -5.44493e+03 + + Step Time + 1006 1006.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.31608e+02 9.44773e+02 4.97585e+03 6.79173e+01 1.72633e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62800e+04 4.16558e+04 -4.05916e+05 2.00136e+03 3.02696e+02 + Potential Pressure (bar) + -3.37630e+05 -5.44532e+03 + + Step Time + 1007 1007.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33177e+02 9.42474e+02 4.97572e+03 6.77810e+01 1.72604e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62800e+04 4.16591e+04 -4.05926e+05 2.00123e+03 3.02765e+02 + Potential Pressure (bar) + -3.37638e+05 -5.44505e+03 + + Step Time + 1008 1008.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.42894e+02 9.46362e+02 4.97571e+03 6.79538e+01 1.72631e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62800e+04 4.16664e+04 -4.05947e+05 2.00044e+03 3.02883e+02 + Potential Pressure (bar) + -3.37638e+05 -5.44573e+03 + + Step Time + 1009 1009.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.47773e+02 9.43334e+02 4.97556e+03 6.77573e+01 1.72590e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62799e+04 4.16691e+04 -4.05956e+05 2.00043e+03 3.02948e+02 + Potential Pressure (bar) + -3.37643e+05 -5.44556e+03 + + Step Time + 1010 1010.00000 + + Step Time + 1011 1011.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.20962e+02 9.42791e+02 4.97557e+03 6.78728e+01 1.72608e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62799e+04 4.16729e+04 -4.05967e+05 1.99989e+03 3.02988e+02 + Potential Pressure (bar) + -3.37678e+05 -5.44420e+03 + + Step Time + 1012 1012.00000 + + Step Time + 1013 1013.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28397e+02 9.42103e+02 4.97538e+03 6.77949e+01 1.72588e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62799e+04 4.16831e+04 -4.05997e+05 1.99908e+03 3.03172e+02 + Potential Pressure (bar) + -3.37692e+05 -5.44414e+03 + + Step Time + 1014 1014.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22662e+02 9.43105e+02 4.97537e+03 6.78811e+01 1.72598e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62799e+04 4.16876e+04 -4.06010e+05 1.99858e+03 3.03238e+02 + Potential Pressure (bar) + -3.37705e+05 -5.44410e+03 + + Step Time + 1015 1015.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33971e+02 9.42345e+02 4.97522e+03 6.77791e+01 1.72575e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62798e+04 4.16945e+04 -4.06030e+05 1.99812e+03 3.03371e+02 + Potential Pressure (bar) + -3.37709e+05 -5.44427e+03 + + Step Time + 1016 1016.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26883e+02 9.43852e+02 4.97522e+03 6.79032e+01 1.72593e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62798e+04 4.16997e+04 -4.06045e+05 1.99751e+03 3.03447e+02 + Potential Pressure (bar) + -3.37724e+05 -5.44410e+03 + + Step Time + 1017 1017.00000 + + Step Time + 1018 1018.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21871e+02 9.42018e+02 4.97514e+03 6.78273e+01 1.72576e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62798e+04 4.17023e+04 -4.06052e+05 1.99735e+03 3.03493e+02 + Potential Pressure (bar) + -3.37737e+05 -5.44358e+03 + + Step Time + 1019 1019.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.31307e+02 9.44465e+02 4.97505e+03 6.79167e+01 1.72586e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62798e+04 4.17121e+04 -4.06081e+05 1.99643e+03 3.03659e+02 + Potential Pressure (bar) + -3.37744e+05 -5.44404e+03 + + Step Time + 1020 1020.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24783e+02 9.41946e+02 4.97495e+03 6.78093e+01 1.72563e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62798e+04 4.17147e+04 -4.06088e+05 1.99631e+03 3.03707e+02 + Potential Pressure (bar) + -3.37759e+05 -5.44343e+03 + + Step Time + 1021 1021.00000 + + Step Time + 1022 1022.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21812e+02 9.42760e+02 4.97493e+03 6.78725e+01 1.72571e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62797e+04 4.17189e+04 -4.06101e+05 1.99586e+03 3.03773e+02 + Potential Pressure (bar) + -3.37770e+05 -5.44327e+03 + + Step Time + 1023 1023.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27839e+02 9.41964e+02 4.97479e+03 6.77957e+01 1.72551e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62797e+04 4.17259e+04 -4.06121e+05 1.99537e+03 3.03900e+02 + Potential Pressure (bar) + -3.37779e+05 -5.44332e+03 + + Step Time + 1024 1024.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24243e+02 9.43226e+02 4.97477e+03 6.78884e+01 1.72564e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62797e+04 4.17308e+04 -4.06135e+05 1.99482e+03 3.03975e+02 + Potential Pressure (bar) + -3.37790e+05 -5.44320e+03 + + Step Time + 1025 1025.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33684e+02 9.42179e+02 4.97463e+03 6.77797e+01 1.72539e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62797e+04 4.17363e+04 -4.06152e+05 1.99451e+03 3.04082e+02 + Potential Pressure (bar) + -3.37794e+05 -5.44334e+03 + + Step Time + 1026 1026.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29835e+02 9.44146e+02 4.97463e+03 6.79144e+01 1.72560e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62797e+04 4.17419e+04 -4.06168e+05 1.99386e+03 3.04166e+02 + Potential Pressure (bar) + -3.37806e+05 -5.44332e+03 + + Step Time + 1027 1027.00000 + + Step Time + 1028 1028.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21443e+02 9.41892e+02 4.97455e+03 6.78326e+01 1.72542e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62796e+04 4.17440e+04 -4.06174e+05 1.99374e+03 3.04202e+02 + Potential Pressure (bar) + -3.37822e+05 -5.44258e+03 + + Step Time + 1029 1029.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.35487e+02 9.44855e+02 4.97443e+03 6.79290e+01 1.72551e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62796e+04 4.17568e+04 -4.06211e+05 1.99259e+03 3.04420e+02 + Potential Pressure (bar) + -3.37829e+05 -5.44323e+03 + + Step Time + 1030 1030.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24191e+02 9.41766e+02 4.97433e+03 6.78125e+01 1.72526e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62796e+04 4.17589e+04 -4.06218e+05 1.99251e+03 3.04458e+02 + Potential Pressure (bar) + -3.37849e+05 -5.44238e+03 + + Step Time + 1031 1031.00000 + + Step Time + 1032 1032.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23011e+02 9.42823e+02 4.97430e+03 6.78807e+01 1.72535e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62796e+04 4.17638e+04 -4.06232e+05 1.99200e+03 3.04535e+02 + Potential Pressure (bar) + -3.37858e+05 -5.44228e+03 + + Step Time + 1033 1033.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27278e+02 9.41779e+02 4.97418e+03 6.77975e+01 1.72515e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62795e+04 4.17690e+04 -4.06247e+05 1.99166e+03 3.04632e+02 + Potential Pressure (bar) + -3.37866e+05 -5.44227e+03 + + Step Time + 1034 1034.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26344e+02 9.43414e+02 4.97416e+03 6.78975e+01 1.72530e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62795e+04 4.17745e+04 -4.06262e+05 1.99108e+03 3.04717e+02 + Potential Pressure (bar) + -3.37876e+05 -5.44228e+03 + + Step Time + 1035 1035.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33400e+02 9.42001e+02 4.97403e+03 6.77796e+01 1.72504e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62795e+04 4.17790e+04 -4.06276e+05 1.99087e+03 3.04805e+02 + Potential Pressure (bar) + -3.37879e+05 -5.44231e+03 + + Step Time + 1036 1036.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33568e+02 9.44521e+02 4.97403e+03 6.79256e+01 1.72526e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62795e+04 4.17851e+04 -4.06293e+05 1.99018e+03 3.04898e+02 + Potential Pressure (bar) + -3.37888e+05 -5.44246e+03 + + Step Time + 1037 1037.00000 + + Step Time + 1038 1038.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21110e+02 9.41774e+02 4.97395e+03 6.78363e+01 1.72507e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62795e+04 4.17868e+04 -4.06298e+05 1.99009e+03 3.04926e+02 + Potential Pressure (bar) + -3.37907e+05 -5.44154e+03 + + Step Time + 1039 1039.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.40692e+02 9.45331e+02 4.97376e+03 6.79375e+01 1.72514e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62794e+04 4.18049e+04 -4.06350e+05 1.98850e+03 3.05236e+02 + Potential Pressure (bar) + -3.37919e+05 -5.44230e+03 + + Step Time + 1040 1040.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23628e+02 9.41574e+02 4.97366e+03 6.78129e+01 1.72487e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62794e+04 4.18067e+04 -4.06356e+05 1.98846e+03 3.05263e+02 + Potential Pressure (bar) + -3.37945e+05 -5.44123e+03 + + Step Time + 1041 1041.00000 + + Step Time + 1042 1042.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24669e+02 9.42929e+02 4.97362e+03 6.78868e+01 1.72497e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62794e+04 4.18124e+04 -4.06372e+05 1.98789e+03 3.05354e+02 + Potential Pressure (bar) + -3.37953e+05 -5.44120e+03 + + Step Time + 1043 1043.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26725e+02 9.41578e+02 4.97352e+03 6.77970e+01 1.72476e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62793e+04 4.18165e+04 -4.06384e+05 1.98766e+03 3.05431e+02 + Potential Pressure (bar) + -3.37961e+05 -5.44104e+03 + + Step Time + 1044 1044.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29096e+02 9.43648e+02 4.97349e+03 6.79059e+01 1.72492e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62793e+04 4.18226e+04 -4.06402e+05 1.98701e+03 3.05528e+02 + Potential Pressure (bar) + -3.37968e+05 -5.44123e+03 + + Step Time + 1045 1045.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33110e+02 9.41807e+02 4.97336e+03 6.77786e+01 1.72464e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62793e+04 4.18263e+04 -4.06412e+05 1.98689e+03 3.05602e+02 + Potential Pressure (bar) + -3.37974e+05 -5.44110e+03 + + Step Time + 1046 1046.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.38256e+02 9.44984e+02 4.97337e+03 6.79377e+01 1.72489e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62793e+04 4.18329e+04 -4.06432e+05 1.98617e+03 3.05705e+02 + Potential Pressure (bar) + -3.37978e+05 -5.44151e+03 + + Step Time + 1047 1047.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.46301e+02 9.42572e+02 4.97321e+03 6.77548e+01 1.72451e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62793e+04 4.18360e+04 -4.06440e+05 1.98618e+03 3.05775e+02 + Potential Pressure (bar) + -3.37979e+05 -5.44148e+03 + + Step Time + 1048 1048.00000 + + Step Time + 1049 1049.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.20948e+02 9.41987e+02 4.97322e+03 6.78618e+01 1.72467e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62793e+04 4.18395e+04 -4.06451e+05 1.98565e+03 3.05810e+02 + Potential Pressure (bar) + -3.38012e+05 -5.44020e+03 + + Step Time + 1050 1050.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.58484e+02 9.43017e+02 4.97274e+03 6.77144e+01 1.72423e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62791e+04 4.18689e+04 -4.06535e+05 1.98348e+03 3.06337e+02 + Potential Pressure (bar) + -3.38031e+05 -5.44090e+03 + + Step Time + 1051 1051.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24261e+02 9.42575e+02 4.97277e+03 6.78729e+01 1.72445e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62791e+04 4.18735e+04 -4.06549e+05 1.98283e+03 3.06379e+02 + Potential Pressure (bar) + -3.38075e+05 -5.43979e+03 + + Step Time + 1052 1052.00000 + + Step Time + 1053 1053.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29431e+02 9.41390e+02 4.97264e+03 6.77800e+01 1.72423e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62791e+04 4.18783e+04 -4.06562e+05 1.98257e+03 3.06469e+02 + Potential Pressure (bar) + -3.38080e+05 -5.43954e+03 + + Step Time + 1054 1054.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28771e+02 9.43333e+02 4.97263e+03 6.78949e+01 1.72441e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62791e+04 4.18839e+04 -4.06579e+05 1.98196e+03 3.06554e+02 + Potential Pressure (bar) + -3.38090e+05 -5.43964e+03 + + Step Time + 1055 1055.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.37471e+02 9.41782e+02 4.97250e+03 6.77594e+01 1.72411e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62790e+04 4.18881e+04 -4.06590e+05 1.98182e+03 3.06638e+02 + Potential Pressure (bar) + -3.38091e+05 -5.43964e+03 + + Step Time + 1056 1056.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.38520e+02 9.44768e+02 4.97250e+03 6.79293e+01 1.72438e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62790e+04 4.18944e+04 -4.06608e+05 1.98112e+03 3.06732e+02 + Potential Pressure (bar) + -3.38099e+05 -5.43991e+03 + + Step Time + 1057 1057.00000 + + Step Time + 1058 1058.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21405e+02 9.41339e+02 4.97242e+03 6.78256e+01 1.72416e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62790e+04 4.18959e+04 -4.06613e+05 1.98106e+03 3.06754e+02 + Potential Pressure (bar) + -3.38123e+05 -5.43866e+03 + + Step Time + 1059 1059.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.48095e+02 9.45797e+02 4.97223e+03 6.79450e+01 1.72427e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62790e+04 4.19148e+04 -4.06667e+05 1.97947e+03 3.07078e+02 + Potential Pressure (bar) + -3.38128e+05 -5.43970e+03 + + Step Time + 1060 1060.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24647e+02 9.41153e+02 4.97212e+03 6.77995e+01 1.72394e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62789e+04 4.19164e+04 -4.06672e+05 1.97944e+03 3.07096e+02 + Potential Pressure (bar) + -3.38160e+05 -5.43830e+03 + + Step Time + 1061 1061.00000 + + Step Time + 1062 1062.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26435e+02 9.42755e+02 4.97209e+03 6.78859e+01 1.72407e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62789e+04 4.19221e+04 -4.06688e+05 1.97886e+03 3.07189e+02 + Potential Pressure (bar) + -3.38168e+05 -5.43830e+03 + + Step Time + 1063 1063.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28707e+02 9.41209e+02 4.97198e+03 6.77814e+01 1.72384e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62789e+04 4.19260e+04 -4.06699e+05 1.97869e+03 3.07260e+02 + Potential Pressure (bar) + -3.38175e+05 -5.43815e+03 + + Step Time + 1064 1064.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.32413e+02 9.43681e+02 4.97196e+03 6.79069e+01 1.72403e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62789e+04 4.19323e+04 -4.06717e+05 1.97804e+03 3.07358e+02 + Potential Pressure (bar) + -3.38180e+05 -5.43840e+03 + + Step Time + 1065 1065.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.37121e+02 9.41591e+02 4.97182e+03 6.77594e+01 1.72371e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62788e+04 4.19357e+04 -4.06726e+05 1.97798e+03 3.07426e+02 + Potential Pressure (bar) + -3.38184e+05 -5.43825e+03 + + Step Time + 1066 1066.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.44747e+02 9.45411e+02 4.97183e+03 6.79442e+01 1.72402e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62788e+04 4.19425e+04 -4.06746e+05 1.97724e+03 3.07533e+02 + Potential Pressure (bar) + -3.38186e+05 -5.43882e+03 + + Step Time + 1067 1067.00000 + + Step Time + 1068 1068.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21124e+02 9.41228e+02 4.97175e+03 6.78310e+01 1.72377e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62788e+04 4.19437e+04 -4.06750e+05 1.97719e+03 3.07544e+02 + Potential Pressure (bar) + -3.38217e+05 -5.43726e+03 + + Step Time + 1069 1069.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.56698e+02 9.46420e+02 4.97138e+03 6.79451e+01 1.72382e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62787e+04 4.19759e+04 -4.06842e+05 1.97455e+03 3.08092e+02 + Potential Pressure (bar) + -3.38238e+05 -5.43829e+03 + + Step Time + 1070 1070.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23996e+02 9.40868e+02 4.97127e+03 6.77919e+01 1.72345e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62786e+04 4.19771e+04 -4.06845e+05 1.97455e+03 3.08099e+02 + Potential Pressure (bar) + -3.38279e+05 -5.43662e+03 + + Step Time + 1071 1071.00000 + + Step Time + 1072 1072.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29386e+02 9.42942e+02 4.97123e+03 6.78853e+01 1.72359e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62786e+04 4.19840e+04 -4.06865e+05 1.97392e+03 3.08211e+02 + Potential Pressure (bar) + -3.38285e+05 -5.43671e+03 + + Step Time + 1073 1073.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28014e+02 9.40935e+02 4.97112e+03 6.77738e+01 1.72334e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62786e+04 4.19871e+04 -4.06874e+05 1.97381e+03 3.08267e+02 + Potential Pressure (bar) + -3.38295e+05 -5.43634e+03 + + Step Time + 1074 1074.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.37066e+02 9.44072e+02 4.97110e+03 6.79106e+01 1.72356e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62786e+04 4.19940e+04 -4.06894e+05 1.97311e+03 3.08380e+02 + Potential Pressure (bar) + -3.38296e+05 -5.43685e+03 + + Step Time + 1075 1075.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.36793e+02 9.41338e+02 4.97097e+03 6.77515e+01 1.72321e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62785e+04 4.19968e+04 -4.06901e+05 1.97311e+03 3.08434e+02 + Potential Pressure (bar) + -3.38304e+05 -5.43644e+03 + + Step Time + 1076 1076.00000 + + Step Time + 1077 1077.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21698e+02 9.41467e+02 4.97097e+03 6.78440e+01 1.72336e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62786e+04 4.20004e+04 -4.06912e+05 1.97265e+03 3.08478e+02 + Potential Pressure (bar) + -3.38326e+05 -5.43567e+03 + + Step Time + 1078 1078.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.45239e+02 9.41688e+02 4.97070e+03 6.77253e+01 1.72304e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62785e+04 4.20151e+04 -4.06953e+05 1.97172e+03 3.08740e+02 + Potential Pressure (bar) + -3.38331e+05 -5.43613e+03 + + Step Time + 1079 1079.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24991e+02 9.42101e+02 4.97072e+03 6.78617e+01 1.72325e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62785e+04 4.20195e+04 -4.06966e+05 1.97114e+03 3.08791e+02 + Potential Pressure (bar) + -3.38359e+05 -5.43539e+03 + + Step Time + 1080 1080.00000 + + Step Time + 1081 1081.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25735e+02 9.40714e+02 4.97061e+03 6.77784e+01 1.72306e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62784e+04 4.20233e+04 -4.06977e+05 1.97095e+03 3.08859e+02 + Potential Pressure (bar) + -3.38368e+05 -5.43503e+03 + + Step Time + 1082 1082.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28987e+02 9.42727e+02 4.97059e+03 6.78782e+01 1.72321e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62784e+04 4.20294e+04 -4.06994e+05 1.97035e+03 3.08955e+02 + Potential Pressure (bar) + -3.38374e+05 -5.43528e+03 + + Step Time + 1083 1083.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30988e+02 9.40873e+02 4.97047e+03 6.77589e+01 1.72294e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62784e+04 4.20329e+04 -4.07004e+05 1.97024e+03 3.09020e+02 + Potential Pressure (bar) + -3.38380e+05 -5.43500e+03 + + Step Time + 1084 1084.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.37152e+02 9.43913e+02 4.97046e+03 6.79053e+01 1.72318e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62784e+04 4.20394e+04 -4.07022e+05 1.96957e+03 3.09121e+02 + Potential Pressure (bar) + -3.38383e+05 -5.43544e+03 + + Step Time + 1085 1085.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.41983e+02 9.41469e+02 4.97032e+03 6.77345e+01 1.72282e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62783e+04 4.20424e+04 -4.07031e+05 1.96958e+03 3.09183e+02 + Potential Pressure (bar) + -3.38387e+05 -5.43521e+03 + + Step Time + 1086 1086.00000 + + Step Time + 1087 1087.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21455e+02 9.41182e+02 4.97033e+03 6.78333e+01 1.72298e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62783e+04 4.20458e+04 -4.07041e+05 1.96912e+03 3.09220e+02 + Potential Pressure (bar) + -3.38414e+05 -5.43418e+03 + + Step Time + 1088 1088.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.52294e+02 9.41875e+02 4.96995e+03 6.76999e+01 1.72259e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62782e+04 4.20686e+04 -4.07105e+05 1.96759e+03 3.09619e+02 + Potential Pressure (bar) + -3.38427e+05 -5.43472e+03 + + Step Time + 1089 1089.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24555e+02 9.41764e+02 4.96997e+03 6.78454e+01 1.72281e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62782e+04 4.20729e+04 -4.07118e+05 1.96699e+03 3.09662e+02 + Potential Pressure (bar) + -3.38463e+05 -5.43372e+03 + + Step Time + 1090 1090.00000 + + Step Time + 1091 1091.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28015e+02 9.40550e+02 4.96985e+03 6.77572e+01 1.72260e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62782e+04 4.20773e+04 -4.07130e+05 1.96678e+03 3.09742e+02 + Potential Pressure (bar) + -3.38469e+05 -5.43343e+03 + + Step Time + 1092 1092.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28641e+02 9.42436e+02 4.96984e+03 6.78637e+01 1.72277e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62782e+04 4.20829e+04 -4.07146e+05 1.96622e+03 3.09827e+02 + Potential Pressure (bar) + -3.38477e+05 -5.43360e+03 + + Step Time + 1093 1093.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.34702e+02 9.40837e+02 4.96971e+03 6.77366e+01 1.72248e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62781e+04 4.20867e+04 -4.07157e+05 1.96611e+03 3.09901e+02 + Potential Pressure (bar) + -3.38480e+05 -5.43347e+03 + + Step Time + 1094 1094.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.37309e+02 9.43712e+02 4.96971e+03 6.78941e+01 1.72275e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62781e+04 4.20928e+04 -4.07174e+05 1.96544e+03 3.09992e+02 + Potential Pressure (bar) + -3.38486e+05 -5.43378e+03 + + Step Time + 1095 1095.00000 + + Step Time + 1096 1096.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21580e+02 9.40577e+02 4.96963e+03 6.77980e+01 1.72253e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62781e+04 4.20943e+04 -4.07179e+05 1.96539e+03 3.10013e+02 + Potential Pressure (bar) + -3.38509e+05 -5.43260e+03 + + Step Time + 1097 1097.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.45756e+02 9.44587e+02 4.96941e+03 6.79047e+01 1.72262e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62781e+04 4.21153e+04 -4.07238e+05 1.96373e+03 3.10364e+02 + Potential Pressure (bar) + -3.38520e+05 -5.43337e+03 + + Step Time + 1098 1098.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24140e+02 9.40343e+02 4.96930e+03 6.77694e+01 1.72231e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62780e+04 4.21169e+04 -4.07242e+05 1.96372e+03 3.10381e+02 + Potential Pressure (bar) + -3.38549e+05 -5.43205e+03 + + Step Time + 1099 1099.00000 + + Step Time + 1100 1100.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26558e+02 9.41877e+02 4.96927e+03 6.78492e+01 1.72243e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62780e+04 4.21228e+04 -4.07259e+05 1.96316e+03 3.10474e+02 + Potential Pressure (bar) + -3.38556e+05 -5.43206e+03 + + Step Time + 1101 1101.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27457e+02 9.40362e+02 4.96916e+03 6.77515e+01 1.72220e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62779e+04 4.21263e+04 -4.07269e+05 1.96303e+03 3.10538e+02 + Potential Pressure (bar) + -3.38564e+05 -5.43181e+03 + + Step Time + 1102 1102.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.31903e+02 9.42709e+02 4.96914e+03 6.78674e+01 1.72239e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62780e+04 4.21325e+04 -4.07286e+05 1.96242e+03 3.10633e+02 + Potential Pressure (bar) + -3.38569e+05 -5.43207e+03 + + Step Time + 1103 1103.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.34448e+02 9.40643e+02 4.96901e+03 6.77298e+01 1.72208e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62779e+04 4.21357e+04 -4.07295e+05 1.96238e+03 3.10695e+02 + Potential Pressure (bar) + -3.38575e+05 -5.43180e+03 + + Step Time + 1104 1104.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.42799e+02 9.44244e+02 4.96902e+03 6.79005e+01 1.72238e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62779e+04 4.21423e+04 -4.07314e+05 1.96169e+03 3.10799e+02 + Potential Pressure (bar) + -3.38575e+05 -5.43239e+03 + + Step Time + 1105 1105.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.49111e+02 9.41542e+02 4.96887e+03 6.77034e+01 1.72195e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62778e+04 4.21450e+04 -4.07321e+05 1.96175e+03 3.10857e+02 + Potential Pressure (bar) + -3.38577e+05 -5.43219e+03 + + Step Time + 1106 1106.00000 + + Step Time + 1107 1107.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21779e+02 9.40832e+02 4.96888e+03 6.78177e+01 1.72214e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62779e+04 4.21485e+04 -4.07332e+05 1.96126e+03 3.10889e+02 + Potential Pressure (bar) + -3.38612e+05 -5.43082e+03 + + Step Time + 1108 1108.00000 + + Step Time + 1109 1109.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29663e+02 9.40239e+02 4.96869e+03 6.77363e+01 1.72193e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62778e+04 4.21595e+04 -4.07362e+05 1.96054e+03 3.11076e+02 + Potential Pressure (bar) + -3.38625e+05 -5.43054e+03 + + Step Time + 1110 1110.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23346e+02 9.41110e+02 4.96869e+03 6.78221e+01 1.72205e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62778e+04 4.21635e+04 -4.07374e+05 1.96011e+03 3.11133e+02 + Potential Pressure (bar) + -3.38639e+05 -5.43052e+03 + + Step Time + 1111 1111.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.35323e+02 9.40510e+02 4.96852e+03 6.77195e+01 1.72180e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62777e+04 4.21706e+04 -4.07393e+05 1.95976e+03 3.11259e+02 + Potential Pressure (bar) + -3.38640e+05 -5.43061e+03 + + Step Time + 1112 1112.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27325e+02 9.41818e+02 4.96853e+03 6.78419e+01 1.72200e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62778e+04 4.21753e+04 -4.07407e+05 1.95921e+03 3.11324e+02 + Potential Pressure (bar) + -3.38656e+05 -5.43038e+03 + + Step Time + 1113 1113.00000 + + Step Time + 1114 1114.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22998e+02 9.40118e+02 4.96845e+03 6.77645e+01 1.72183e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62777e+04 4.21778e+04 -4.07414e+05 1.95911e+03 3.11366e+02 + Potential Pressure (bar) + -3.38667e+05 -5.42982e+03 + + Step Time + 1115 1115.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.31539e+02 9.42408e+02 4.96838e+03 6.78530e+01 1.72195e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62777e+04 4.21862e+04 -4.07438e+05 1.95840e+03 3.11502e+02 + Potential Pressure (bar) + -3.38672e+05 -5.43024e+03 + + Step Time + 1116 1116.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26029e+02 9.40081e+02 4.96829e+03 6.77456e+01 1.72170e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62777e+04 4.21887e+04 -4.07445e+05 1.95834e+03 3.11545e+02 + Potential Pressure (bar) + -3.38685e+05 -5.42962e+03 + + Step Time + 1117 1117.00000 + + Step Time + 1118 1118.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22542e+02 9.40787e+02 4.96827e+03 6.78077e+01 1.72180e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62777e+04 4.21925e+04 -4.07456e+05 1.95795e+03 3.11600e+02 + Potential Pressure (bar) + -3.38695e+05 -5.42940e+03 + + Step Time + 1119 1119.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29176e+02 9.40111e+02 4.96813e+03 6.77279e+01 1.72159e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62776e+04 4.21997e+04 -4.07476e+05 1.95754e+03 3.11725e+02 + Potential Pressure (bar) + -3.38702e+05 -5.42936e+03 + + Step Time + 1120 1120.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24793e+02 9.41221e+02 4.96812e+03 6.78192e+01 1.72174e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62776e+04 4.22041e+04 -4.07488e+05 1.95707e+03 3.11788e+02 + Potential Pressure (bar) + -3.38714e+05 -5.42919e+03 + + Step Time + 1121 1121.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.35122e+02 9.40356e+02 4.96798e+03 6.77092e+01 1.72148e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62775e+04 4.22096e+04 -4.07503e+05 1.95684e+03 3.11889e+02 + Potential Pressure (bar) + -3.38715e+05 -5.42927e+03 + + Step Time + 1122 1122.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30090e+02 9.42090e+02 4.96798e+03 6.78432e+01 1.72171e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62776e+04 4.22147e+04 -4.07518e+05 1.95627e+03 3.11961e+02 + Potential Pressure (bar) + -3.38728e+05 -5.42916e+03 + + Step Time + 1123 1123.00000 + + Step Time + 1124 1124.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22566e+02 9.39990e+02 4.96791e+03 6.77604e+01 1.72152e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62775e+04 4.22168e+04 -4.07524e+05 1.95620e+03 3.11994e+02 + Potential Pressure (bar) + -3.38742e+05 -5.42845e+03 + + Step Time + 1125 1125.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.35467e+02 9.42792e+02 4.96781e+03 6.78556e+01 1.72165e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62775e+04 4.22274e+04 -4.07554e+05 1.95532e+03 3.12168e+02 + Potential Pressure (bar) + -3.38746e+05 -5.42902e+03 + + Step Time + 1126 1126.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25469e+02 9.39912e+02 4.96771e+03 6.77382e+01 1.72138e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62775e+04 4.22295e+04 -4.07560e+05 1.95530e+03 3.12201e+02 + Potential Pressure (bar) + -3.38763e+05 -5.42815e+03 + + Step Time + 1127 1127.00000 + + Step Time + 1128 1128.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23620e+02 9.40845e+02 4.96769e+03 6.78056e+01 1.72149e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62775e+04 4.22338e+04 -4.07572e+05 1.95488e+03 3.12266e+02 + Potential Pressure (bar) + -3.38772e+05 -5.42804e+03 + + Step Time + 1129 1129.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28670e+02 9.39946e+02 4.96757e+03 6.77217e+01 1.72127e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62774e+04 4.22392e+04 -4.07587e+05 1.95460e+03 3.12359e+02 + Potential Pressure (bar) + -3.38778e+05 -5.42796e+03 + + Step Time + 1130 1130.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26732e+02 9.41394e+02 4.96756e+03 6.78208e+01 1.72144e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62775e+04 4.22440e+04 -4.07601e+05 1.95411e+03 3.12431e+02 + Potential Pressure (bar) + -3.38788e+05 -5.42791e+03 + + Step Time + 1131 1131.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.34924e+02 9.40205e+02 4.96743e+03 6.77018e+01 1.72116e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62774e+04 4.22484e+04 -4.07613e+05 1.95397e+03 3.12514e+02 + Potential Pressure (bar) + -3.38789e+05 -5.42791e+03 + + Step Time + 1132 1132.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33592e+02 9.42455e+02 4.96743e+03 6.78472e+01 1.72141e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62774e+04 4.22539e+04 -4.07629e+05 1.95337e+03 3.12594e+02 + Potential Pressure (bar) + -3.38799e+05 -5.42800e+03 + + Step Time + 1133 1133.00000 + + Step Time + 1134 1134.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22205e+02 9.39888e+02 4.96736e+03 6.77569e+01 1.72121e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62774e+04 4.22556e+04 -4.07634e+05 1.95331e+03 3.12619e+02 + Potential Pressure (bar) + -3.38816e+05 -5.42707e+03 + + Step Time + 1135 1135.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.40389e+02 9.43236e+02 4.96722e+03 6.78577e+01 1.72134e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62774e+04 4.22699e+04 -4.07673e+05 1.95220e+03 3.12855e+02 + Potential Pressure (bar) + -3.38821e+05 -5.42776e+03 + + Step Time + 1136 1136.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24927e+02 9.39741e+02 4.96712e+03 6.77314e+01 1.72104e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62773e+04 4.22716e+04 -4.07678e+05 1.95219e+03 3.12879e+02 + Potential Pressure (bar) + -3.38844e+05 -5.42668e+03 + + Step Time + 1137 1137.00000 + + Step Time + 1138 1138.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25120e+02 9.40947e+02 4.96709e+03 6.78047e+01 1.72116e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62773e+04 4.22766e+04 -4.07692e+05 1.95173e+03 3.12954e+02 + Potential Pressure (bar) + -3.38852e+05 -5.42662e+03 + + Step Time + 1139 1139.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28161e+02 9.39768e+02 4.96699e+03 6.77141e+01 1.72094e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62772e+04 4.22808e+04 -4.07704e+05 1.95155e+03 3.13028e+02 + Potential Pressure (bar) + -3.38858e+05 -5.42644e+03 + + Step Time + 1140 1140.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29270e+02 9.41623e+02 4.96697e+03 6.78214e+01 1.72112e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62773e+04 4.22861e+04 -4.07719e+05 1.95102e+03 3.13110e+02 + Potential Pressure (bar) + -3.38865e+05 -5.42655e+03 + + Step Time + 1141 1141.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.34722e+02 9.40037e+02 4.96684e+03 6.76929e+01 1.72083e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62772e+04 4.22899e+04 -4.07729e+05 1.95095e+03 3.13179e+02 + Potential Pressure (bar) + -3.38868e+05 -5.42640e+03 + + Step Time + 1142 1142.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.38000e+02 9.42898e+02 4.96685e+03 6.78503e+01 1.72110e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62772e+04 4.22957e+04 -4.07746e+05 1.95032e+03 3.13269e+02 + Potential Pressure (bar) + -3.38873e+05 -5.42676e+03 + + Step Time + 1143 1143.00000 + + Step Time + 1144 1144.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.21951e+02 9.39776e+02 4.96677e+03 6.77530e+01 1.72088e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62772e+04 4.22972e+04 -4.07750e+05 1.95028e+03 3.13285e+02 + Potential Pressure (bar) + -3.38895e+05 -5.42557e+03 + + Step Time + 1145 1145.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.46463e+02 9.43762e+02 4.96654e+03 6.78564e+01 1.72098e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62772e+04 4.23184e+04 -4.07810e+05 1.94865e+03 3.13639e+02 + Potential Pressure (bar) + -3.38906e+05 -5.42629e+03 + + Step Time + 1146 1146.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24409e+02 9.39533e+02 4.96644e+03 6.77209e+01 1.72066e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62771e+04 4.23199e+04 -4.07814e+05 1.94866e+03 3.13653e+02 + Potential Pressure (bar) + -3.38935e+05 -5.42494e+03 + + Step Time + 1147 1147.00000 + + Step Time + 1148 1148.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27143e+02 9.41071e+02 4.96641e+03 6.77998e+01 1.72079e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62771e+04 4.23256e+04 -4.07830e+05 1.94815e+03 3.13744e+02 + Potential Pressure (bar) + -3.38942e+05 -5.42496e+03 + + Step Time + 1149 1149.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27652e+02 9.39553e+02 4.96631e+03 6.77023e+01 1.72055e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62770e+04 4.23291e+04 -4.07839e+05 1.94804e+03 3.13803e+02 + Potential Pressure (bar) + -3.38949e+05 -5.42467e+03 + + Step Time + 1150 1150.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.32529e+02 9.41898e+02 4.96629e+03 6.78185e+01 1.72075e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62771e+04 4.23350e+04 -4.07856e+05 1.94747e+03 3.13896e+02 + Potential Pressure (bar) + -3.38954e+05 -5.42496e+03 + + Step Time + 1151 1151.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.34518e+02 9.39836e+02 4.96616e+03 6.76803e+01 1.72043e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62770e+04 4.23381e+04 -4.07864e+05 1.94744e+03 3.13953e+02 + Potential Pressure (bar) + -3.38959e+05 -5.42465e+03 + + Step Time + 1152 1152.00000 + + Step Time + 1153 1153.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22040e+02 9.39947e+02 4.96617e+03 6.77608e+01 1.72057e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62770e+04 4.23412e+04 -4.07873e+05 1.94707e+03 3.13991e+02 + Potential Pressure (bar) + -3.38978e+05 -5.42399e+03 + + Step Time + 1154 1154.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.41015e+02 9.40037e+02 4.96584e+03 6.76513e+01 1.72024e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62769e+04 4.23602e+04 -4.07926e+05 1.94591e+03 3.14313e+02 + Potential Pressure (bar) + -3.38994e+05 -5.42400e+03 + + Step Time + 1155 1155.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24184e+02 9.40373e+02 4.96586e+03 6.77699e+01 1.72044e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62769e+04 4.23641e+04 -4.07938e+05 1.94541e+03 3.14359e+02 + Potential Pressure (bar) + -3.39018e+05 -5.42343e+03 + + Step Time + 1156 1156.00000 + + Step Time + 1157 1157.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25856e+02 9.39333e+02 4.96576e+03 6.76978e+01 1.72025e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62769e+04 4.23682e+04 -4.07949e+05 1.94521e+03 3.14430e+02 + Potential Pressure (bar) + -3.39025e+05 -5.42308e+03 + + Step Time + 1158 1158.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26919e+02 9.40838e+02 4.96573e+03 6.77835e+01 1.72040e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62769e+04 4.23734e+04 -4.07964e+05 1.94473e+03 3.14510e+02 + Potential Pressure (bar) + -3.39032e+05 -5.42320e+03 + + Step Time + 1159 1159.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30014e+02 9.39441e+02 4.96562e+03 6.76791e+01 1.72015e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62768e+04 4.23772e+04 -4.07974e+05 1.94462e+03 3.14577e+02 + Potential Pressure (bar) + -3.39037e+05 -5.42293e+03 + + Step Time + 1160 1160.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.32631e+02 9.41719e+02 4.96561e+03 6.78054e+01 1.72037e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62769e+04 4.23827e+04 -4.07990e+05 1.94405e+03 3.14663e+02 + Potential Pressure (bar) + -3.39043e+05 -5.42316e+03 + + Step Time + 1161 1161.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.38553e+02 9.39869e+02 4.96548e+03 6.76571e+01 1.72003e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62768e+04 4.23860e+04 -4.07998e+05 1.94405e+03 3.14725e+02 + Potential Pressure (bar) + -3.39045e+05 -5.42296e+03 + + Step Time + 1162 1162.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.44542e+02 9.43381e+02 4.96550e+03 6.78413e+01 1.72037e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62769e+04 4.23921e+04 -4.08016e+05 1.94337e+03 3.14820e+02 + Potential Pressure (bar) + -3.39048e+05 -5.42353e+03 + + Step Time + 1163 1163.00000 + + Step Time + 1164 1164.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22142e+02 9.39407e+02 4.96542e+03 6.77271e+01 1.72011e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62768e+04 4.23934e+04 -4.08020e+05 1.94337e+03 3.14829e+02 + Potential Pressure (bar) + -3.39076e+05 -5.42195e+03 + + Step Time + 1165 1165.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.56043e+02 9.44443e+02 4.96515e+03 6.78489e+01 1.72024e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62768e+04 4.24174e+04 -4.08087e+05 1.94158e+03 3.15233e+02 + Potential Pressure (bar) + -3.39082e+05 -5.42303e+03 + + Step Time + 1166 1166.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25197e+02 9.39142e+02 4.96504e+03 6.76907e+01 1.71985e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62767e+04 4.24187e+04 -4.08090e+05 1.94162e+03 3.15237e+02 + Potential Pressure (bar) + -3.39121e+05 -5.42127e+03 + + Step Time + 1167 1167.00000 + + Step Time + 1168 1168.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29654e+02 9.41030e+02 4.96501e+03 6.77828e+01 1.72001e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62767e+04 4.24246e+04 -4.08107e+05 1.94107e+03 3.15332e+02 + Potential Pressure (bar) + -3.39126e+05 -5.42137e+03 + + Step Time + 1169 1169.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29357e+02 9.39228e+02 4.96491e+03 6.76698e+01 1.71974e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62766e+04 4.24277e+04 -4.08115e+05 1.94103e+03 3.15386e+02 + Potential Pressure (bar) + -3.39133e+05 -5.42103e+03 + + Step Time + 1170 1170.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.37029e+02 9.42113e+02 4.96490e+03 6.78059e+01 1.71999e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62767e+04 4.24338e+04 -4.08133e+05 1.94043e+03 3.15483e+02 + Potential Pressure (bar) + -3.39135e+05 -5.42147e+03 + + Step Time + 1171 1171.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.38301e+02 9.39669e+02 4.96477e+03 6.76449e+01 1.71962e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62766e+04 4.24366e+04 -4.08140e+05 1.94047e+03 3.15535e+02 + Potential Pressure (bar) + -3.39140e+05 -5.42104e+03 + + Step Time + 1172 1172.00000 + + Step Time + 1173 1173.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22455e+02 9.39641e+02 4.96478e+03 6.77382e+01 1.71979e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62766e+04 4.24398e+04 -4.08149e+05 1.94004e+03 3.15572e+02 + Potential Pressure (bar) + -3.39163e+05 -5.42027e+03 + + Step Time + 1174 1174.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.46847e+02 9.40015e+02 4.96448e+03 6.76145e+01 1.71944e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62765e+04 4.24558e+04 -4.08193e+05 1.93915e+03 3.15850e+02 + Potential Pressure (bar) + -3.39167e+05 -5.42053e+03 + + Step Time + 1175 1175.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25486e+02 9.40214e+02 4.96451e+03 6.77518e+01 1.71968e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62766e+04 4.24598e+04 -4.08205e+05 1.93861e+03 3.15894e+02 + Potential Pressure (bar) + -3.39196e+05 -5.41983e+03 + + Step Time + 1176 1176.00000 + + Step Time + 1177 1177.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27031e+02 9.38985e+02 4.96440e+03 6.76671e+01 1.71948e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62765e+04 4.24636e+04 -4.08215e+05 1.93847e+03 3.15959e+02 + Potential Pressure (bar) + -3.39203e+05 -5.41942e+03 + + Step Time + 1178 1178.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29266e+02 9.40811e+02 4.96438e+03 6.77667e+01 1.71965e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62765e+04 4.24689e+04 -4.08230e+05 1.93797e+03 3.16041e+02 + Potential Pressure (bar) + -3.39209e+05 -5.41965e+03 + + Step Time + 1179 1179.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.32428e+02 9.39182e+02 4.96427e+03 6.76458e+01 1.71936e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62765e+04 4.24723e+04 -4.08239e+05 1.93790e+03 3.16103e+02 + Potential Pressure (bar) + -3.39213e+05 -5.41932e+03 + + Step Time + 1180 1180.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.37087e+02 9.41947e+02 4.96427e+03 6.77932e+01 1.71963e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62765e+04 4.24780e+04 -4.08256e+05 1.93731e+03 3.16192e+02 + Potential Pressure (bar) + -3.39217e+05 -5.41976e+03 + + Step Time + 1181 1181.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.43596e+02 9.39823e+02 4.96413e+03 6.76208e+01 1.71924e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62764e+04 4.24810e+04 -4.08263e+05 1.93739e+03 3.16250e+02 + Potential Pressure (bar) + -3.39218e+05 -5.41951e+03 + + Step Time + 1182 1182.00000 + + Step Time + 1183 1183.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22257e+02 9.39364e+02 4.96414e+03 6.77205e+01 1.71942e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62765e+04 4.24840e+04 -4.08273e+05 1.93696e+03 3.16281e+02 + Potential Pressure (bar) + -3.39246e+05 -5.41849e+03 + + Step Time + 1184 1184.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.53981e+02 9.40187e+02 4.96370e+03 6.75773e+01 1.71899e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62763e+04 4.25112e+04 -4.08347e+05 1.93532e+03 3.16744e+02 + Potential Pressure (bar) + -3.39263e+05 -5.41858e+03 + + Step Time + 1185 1185.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25100e+02 9.39854e+02 4.96372e+03 6.77243e+01 1.71923e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62764e+04 4.25151e+04 -4.08359e+05 1.93475e+03 3.16781e+02 + Potential Pressure (bar) + -3.39301e+05 -5.41768e+03 + + Step Time + 1186 1186.00000 + + Step Time + 1187 1187.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29398e+02 9.38821e+02 4.96361e+03 6.76356e+01 1.71901e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62763e+04 4.25195e+04 -4.08371e+05 1.93459e+03 3.16858e+02 + Potential Pressure (bar) + -3.39305e+05 -5.41735e+03 + + Step Time + 1188 1188.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28941e+02 9.40507e+02 4.96360e+03 6.77436e+01 1.71920e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62764e+04 4.25244e+04 -4.08385e+05 1.93411e+03 3.16932e+02 + Potential Pressure (bar) + -3.39313e+05 -5.41743e+03 + + Step Time + 1189 1189.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.36233e+02 9.39150e+02 4.96347e+03 6.76155e+01 1.71889e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62763e+04 4.25282e+04 -4.08395e+05 1.93404e+03 3.17002e+02 + Potential Pressure (bar) + -3.39314e+05 -5.41725e+03 + + Step Time + 1190 1190.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.37241e+02 9.41732e+02 4.96349e+03 6.77744e+01 1.71919e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62763e+04 4.25336e+04 -4.08411e+05 1.93346e+03 3.17085e+02 + Potential Pressure (bar) + -3.39321e+05 -5.41754e+03 + + Step Time + 1191 1191.00000 + + Step Time + 1192 1192.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22627e+02 9.38787e+02 4.96341e+03 6.76771e+01 1.71896e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62763e+04 4.25351e+04 -4.08415e+05 1.93345e+03 3.17102e+02 + Potential Pressure (bar) + -3.39341e+05 -5.41637e+03 + + Step Time + 1193 1193.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.45345e+02 9.42618e+02 4.96324e+03 6.77853e+01 1.71911e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62763e+04 4.25511e+04 -4.08460e+05 1.93224e+03 3.17370e+02 + Potential Pressure (bar) + -3.39345e+05 -5.41720e+03 + + Step Time + 1194 1194.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25388e+02 9.38628e+02 4.96315e+03 6.76480e+01 1.71877e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62762e+04 4.25527e+04 -4.08463e+05 1.93226e+03 3.17386e+02 + Potential Pressure (bar) + -3.39371e+05 -5.41584e+03 + + Step Time + 1195 1195.00000 + + Step Time + 1196 1196.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26923e+02 9.40003e+02 4.96312e+03 6.77283e+01 1.71892e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62762e+04 4.25577e+04 -4.08478e+05 1.93181e+03 3.17465e+02 + Potential Pressure (bar) + -3.39378e+05 -5.41586e+03 + + Step Time + 1197 1197.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28847e+02 9.38672e+02 4.96302e+03 6.76305e+01 1.71867e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62762e+04 4.25612e+04 -4.08487e+05 1.93170e+03 3.17526e+02 + Potential Pressure (bar) + -3.39384e+05 -5.41561e+03 + + Step Time + 1198 1198.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.31994e+02 9.40794e+02 4.96301e+03 6.77469e+01 1.71889e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62762e+04 4.25666e+04 -4.08503e+05 1.93118e+03 3.17611e+02 + Potential Pressure (bar) + -3.39389e+05 -5.41584e+03 + + Step Time + 1199 1199.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.36022e+02 9.38994e+02 4.96288e+03 6.76071e+01 1.71856e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62761e+04 4.25698e+04 -4.08511e+05 1.93118e+03 3.17668e+02 + Potential Pressure (bar) + -3.39392e+05 -5.41554e+03 + + Step Time + 1200 1200.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.42470e+02 9.42268e+02 4.96290e+03 6.77791e+01 1.71889e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62762e+04 4.25756e+04 -4.08528e+05 1.93056e+03 3.17760e+02 + Potential Pressure (bar) + -3.39394e+05 -5.41610e+03 + + Step Time + 1201 1201.00000 + + Step Time + 1202 1202.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22406e+02 9.38691e+02 4.96282e+03 6.76720e+01 1.71864e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62761e+04 4.25768e+04 -4.08530e+05 1.93056e+03 3.17770e+02 + Potential Pressure (bar) + -3.39419e+05 -5.41463e+03 + + Step Time + 1203 1203.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.52548e+02 9.43173e+02 4.96252e+03 6.77778e+01 1.71874e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62761e+04 4.26029e+04 -4.08604e+05 1.92868e+03 3.18207e+02 + Potential Pressure (bar) + -3.39434e+05 -5.41537e+03 + + Step Time + 1204 1204.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24876e+02 9.38391e+02 4.96242e+03 6.76320e+01 1.71837e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62760e+04 4.26042e+04 -4.08607e+05 1.92872e+03 3.18212e+02 + Potential Pressure (bar) + -3.39468e+05 -5.41377e+03 + + Step Time + 1205 1205.00000 + + Step Time + 1206 1206.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29376e+02 9.40157e+02 4.96238e+03 6.77189e+01 1.71853e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62761e+04 4.26100e+04 -4.08624e+05 1.92821e+03 3.18307e+02 + Potential Pressure (bar) + -3.39473e+05 -5.41388e+03 + + Step Time + 1207 1207.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28323e+02 9.38440e+02 4.96229e+03 6.76129e+01 1.71827e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62760e+04 4.26130e+04 -4.08631e+05 1.92816e+03 3.18356e+02 + Potential Pressure (bar) + -3.39481e+05 -5.41346e+03 + + Step Time + 1208 1208.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.35886e+02 9.41119e+02 4.96227e+03 6.77404e+01 1.71851e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62761e+04 4.26188e+04 -4.08649e+05 1.92760e+03 3.18453e+02 + Potential Pressure (bar) + -3.39482e+05 -5.41389e+03 + + Step Time + 1209 1209.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.35836e+02 9.38782e+02 4.96215e+03 6.75893e+01 1.71815e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62760e+04 4.26215e+04 -4.08655e+05 1.92764e+03 3.18500e+02 + Potential Pressure (bar) + -3.39489e+05 -5.41339e+03 + + Step Time + 1210 1210.00000 + + Step Time + 1211 1211.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22873e+02 9.38897e+02 4.96216e+03 6.76771e+01 1.71831e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62760e+04 4.26246e+04 -4.08664e+05 1.92727e+03 3.18537e+02 + Potential Pressure (bar) + -3.39507e+05 -5.41277e+03 + + Step Time + 1212 1212.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.43082e+02 9.39063e+02 4.96190e+03 6.75607e+01 1.71799e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62759e+04 4.26386e+04 -4.08702e+05 1.92652e+03 3.18779e+02 + Potential Pressure (bar) + -3.39513e+05 -5.41288e+03 + + Step Time + 1213 1213.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25636e+02 9.39431e+02 4.96192e+03 6.76893e+01 1.71822e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62760e+04 4.26423e+04 -4.08713e+05 1.92604e+03 3.18824e+02 + Potential Pressure (bar) + -3.39537e+05 -5.41233e+03 + + Step Time + 1214 1214.00000 + + Step Time + 1215 1215.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26393e+02 9.38249e+02 4.96182e+03 6.76095e+01 1.71802e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62759e+04 4.26459e+04 -4.08723e+05 1.92589e+03 3.18884e+02 + Potential Pressure (bar) + -3.39544e+05 -5.41189e+03 + + Step Time + 1216 1216.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29016e+02 9.39962e+02 4.96180e+03 6.77024e+01 1.71819e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62760e+04 4.26510e+04 -4.08738e+05 1.92543e+03 3.18966e+02 + Potential Pressure (bar) + -3.39550e+05 -5.41214e+03 + + Step Time + 1217 1217.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30910e+02 9.38383e+02 4.96169e+03 6.75891e+01 1.71792e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62759e+04 4.26543e+04 -4.08746e+05 1.92539e+03 3.19024e+02 + Potential Pressure (bar) + -3.39555e+05 -5.41173e+03 + + Step Time + 1218 1218.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.35924e+02 9.40973e+02 4.96170e+03 6.77266e+01 1.71818e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62759e+04 4.26598e+04 -4.08762e+05 1.92483e+03 3.19111e+02 + Potential Pressure (bar) + -3.39558e+05 -5.41217e+03 + + Step Time + 1219 1219.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.40337e+02 9.38890e+02 4.96156e+03 6.75647e+01 1.71780e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62758e+04 4.26626e+04 -4.08769e+05 1.92490e+03 3.19165e+02 + Potential Pressure (bar) + -3.39560e+05 -5.41182e+03 + + Step Time + 1220 1220.00000 + + Step Time + 1221 1221.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22670e+02 9.38644e+02 4.96157e+03 6.76585e+01 1.71797e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62759e+04 4.26656e+04 -4.08778e+05 1.92449e+03 3.19197e+02 + Potential Pressure (bar) + -3.39584e+05 -5.41100e+03 + + Step Time + 1222 1222.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.49188e+02 9.39180e+02 4.96120e+03 6.75246e+01 1.71757e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62758e+04 4.26882e+04 -4.08840e+05 1.92322e+03 3.19583e+02 + Potential Pressure (bar) + -3.39598e+05 -5.41097e+03 + + Step Time + 1223 1223.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25274e+02 9.39111e+02 4.96122e+03 6.76643e+01 1.71782e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62758e+04 4.26918e+04 -4.08851e+05 1.92269e+03 3.19621e+02 + Potential Pressure (bar) + -3.39630e+05 -5.41025e+03 + + Step Time + 1224 1224.00000 + + Step Time + 1225 1225.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28390e+02 9.38088e+02 4.96111e+03 6.75808e+01 1.71761e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62758e+04 4.26960e+04 -4.08862e+05 1.92254e+03 3.19693e+02 + Potential Pressure (bar) + -3.39635e+05 -5.40987e+03 + + Step Time + 1226 1226.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28715e+02 9.39686e+02 4.96110e+03 6.76815e+01 1.71779e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62758e+04 4.27006e+04 -4.08876e+05 1.92208e+03 3.19765e+02 + Potential Pressure (bar) + -3.39642e+05 -5.41003e+03 + + Step Time + 1227 1227.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.34144e+02 9.38334e+02 4.96098e+03 6.75595e+01 1.71750e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62757e+04 4.27043e+04 -4.08885e+05 1.92205e+03 3.19832e+02 + Potential Pressure (bar) + -3.39644e+05 -5.40975e+03 + + Step Time + 1228 1228.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.36039e+02 9.40773e+02 4.96099e+03 6.77079e+01 1.71779e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62758e+04 4.27094e+04 -4.08900e+05 1.92150e+03 3.19912e+02 + Potential Pressure (bar) + -3.39650e+05 -5.41006e+03 + + Step Time + 1229 1229.00000 + + Step Time + 1230 1230.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22828e+02 9.38108e+02 4.96092e+03 6.76165e+01 1.71756e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62758e+04 4.27109e+04 -4.08904e+05 1.92148e+03 3.19929e+02 + Potential Pressure (bar) + -3.39669e+05 -5.40899e+03 + + Step Time + 1231 1231.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.43159e+02 9.41535e+02 4.96074e+03 6.77159e+01 1.71770e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62758e+04 4.27276e+04 -4.08950e+05 1.92027e+03 3.20210e+02 + Potential Pressure (bar) + -3.39676e+05 -5.40962e+03 + + Step Time + 1232 1232.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25071e+02 9.37919e+02 4.96065e+03 6.75879e+01 1.71737e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62757e+04 4.27291e+04 -4.08954e+05 1.92029e+03 3.20225e+02 + Potential Pressure (bar) + -3.39700e+05 -5.40835e+03 + + Step Time + 1233 1233.00000 + + Step Time + 1234 1234.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26919e+02 9.39220e+02 4.96062e+03 6.76627e+01 1.71751e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62757e+04 4.27340e+04 -4.08968e+05 1.91986e+03 3.20304e+02 + Potential Pressure (bar) + -3.39706e+05 -5.40840e+03 + + Step Time + 1235 1235.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27945e+02 9.37936e+02 4.96053e+03 6.75697e+01 1.71728e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62757e+04 4.27374e+04 -4.08977e+05 1.91977e+03 3.20361e+02 + Potential Pressure (bar) + -3.39712e+05 -5.40809e+03 + + Step Time + 1236 1236.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.31425e+02 9.39920e+02 4.96051e+03 6.76789e+01 1.71749e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62757e+04 4.27425e+04 -4.08992e+05 1.91928e+03 3.20444e+02 + Potential Pressure (bar) + -3.39717e+05 -5.40831e+03 + + Step Time + 1237 1237.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33971e+02 9.38182e+02 4.96040e+03 6.75465e+01 1.71717e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62756e+04 4.27456e+04 -4.09000e+05 1.91928e+03 3.20499e+02 + Potential Pressure (bar) + -3.39721e+05 -5.40795e+03 + + Step Time + 1238 1238.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.40641e+02 9.41223e+02 4.96041e+03 6.77071e+01 1.71749e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62757e+04 4.27512e+04 -4.09016e+05 1.91871e+03 3.20589e+02 + Potential Pressure (bar) + -3.39723e+05 -5.40852e+03 + + Step Time + 1239 1239.00000 + + Step Time + 1240 1240.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.22682e+02 9.38006e+02 4.96034e+03 6.76070e+01 1.71725e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62757e+04 4.27524e+04 -4.09019e+05 1.91870e+03 3.20600e+02 + Potential Pressure (bar) + -3.39746e+05 -5.40718e+03 + + Step Time + 1241 1241.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.49487e+02 9.41967e+02 4.95999e+03 6.77046e+01 1.71732e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62757e+04 4.27812e+04 -4.09100e+05 1.91669e+03 3.21083e+02 + Potential Pressure (bar) + -3.39769e+05 -5.40752e+03 + + Step Time + 1242 1242.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24662e+02 9.37687e+02 4.95990e+03 6.75675e+01 1.71696e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62756e+04 4.27825e+04 -4.09102e+05 1.91673e+03 3.21089e+02 + Potential Pressure (bar) + -3.39800e+05 -5.40609e+03 + + Step Time + 1243 1243.00000 + + Step Time + 1244 1244.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29129e+02 9.39321e+02 4.95986e+03 6.76487e+01 1.71711e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62756e+04 4.27882e+04 -4.09119e+05 1.91625e+03 3.21183e+02 + Potential Pressure (bar) + -3.39805e+05 -5.40617e+03 + + Step Time + 1245 1245.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27523e+02 9.37707e+02 4.95977e+03 6.75483e+01 1.71686e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62755e+04 4.27911e+04 -4.09126e+05 1.91621e+03 3.21230e+02 + Potential Pressure (bar) + -3.39812e+05 -5.40569e+03 + + Step Time + 1246 1246.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.34876e+02 9.40181e+02 4.95975e+03 6.76680e+01 1.71709e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62756e+04 4.27968e+04 -4.09143e+05 1.91569e+03 3.21325e+02 + Potential Pressure (bar) + -3.39814e+05 -5.40614e+03 + + Step Time + 1247 1247.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33837e+02 9.37964e+02 4.95964e+03 6.75253e+01 1.71674e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62755e+04 4.27994e+04 -4.09149e+05 1.91572e+03 3.21370e+02 + Potential Pressure (bar) + -3.39821e+05 -5.40558e+03 + + Step Time + 1248 1248.00000 + + Step Time + 1249 1249.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23259e+02 9.38181e+02 4.95964e+03 6.76082e+01 1.71691e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62756e+04 4.28023e+04 -4.09158e+05 1.91538e+03 3.21408e+02 + Potential Pressure (bar) + -3.39838e+05 -5.40508e+03 + + Step Time + 1250 1250.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.39970e+02 9.38190e+02 4.95942e+03 6.74998e+01 1.71660e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62754e+04 4.28146e+04 -4.09191e+05 1.91476e+03 3.21622e+02 + Potential Pressure (bar) + -3.39842e+05 -5.40506e+03 + + Step Time + 1251 1251.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25790e+02 9.38670e+02 4.95943e+03 6.76209e+01 1.71683e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62755e+04 4.28182e+04 -4.09202e+05 1.91430e+03 3.21667e+02 + Potential Pressure (bar) + -3.39863e+05 -5.40464e+03 + + Step Time + 1252 1252.00000 + + Step Time + 1253 1253.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25930e+02 9.37547e+02 4.95935e+03 6.75456e+01 1.71664e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62755e+04 4.28215e+04 -4.09210e+05 1.91419e+03 3.21723e+02 + Potential Pressure (bar) + -3.39870e+05 -5.40417e+03 + + Step Time + 1254 1254.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28804e+02 9.39148e+02 4.95932e+03 6.76331e+01 1.71680e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62755e+04 4.28265e+04 -4.09225e+05 1.91374e+03 3.21805e+02 + Potential Pressure (bar) + -3.39876e+05 -5.40442e+03 + + Step Time + 1255 1255.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29699e+02 9.37635e+02 4.95922e+03 6.75258e+01 1.71654e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62754e+04 4.28297e+04 -4.09233e+05 1.91368e+03 3.21859e+02 + Potential Pressure (bar) + -3.39881e+05 -5.40398e+03 + + Step Time + 1256 1256.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.34915e+02 9.40042e+02 4.95921e+03 6.76541e+01 1.71679e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62755e+04 4.28350e+04 -4.09248e+05 1.91317e+03 3.21944e+02 + Potential Pressure (bar) + -3.39884e+05 -5.40442e+03 + + Step Time + 1257 1257.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.37648e+02 9.38038e+02 4.95909e+03 6.75014e+01 1.71642e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62754e+04 4.28378e+04 -4.09255e+05 1.91324e+03 3.21995e+02 + Potential Pressure (bar) + -3.39888e+05 -5.40398e+03 + + Step Time + 1258 1258.00000 + + Step Time + 1259 1259.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23054e+02 9.37948e+02 4.95910e+03 6.75903e+01 1.71659e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62755e+04 4.28405e+04 -4.09263e+05 1.91286e+03 3.22029e+02 + Potential Pressure (bar) + -3.39908e+05 -5.40332e+03 + + Step Time + 1260 1260.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.45192e+02 9.38298e+02 4.95878e+03 6.74664e+01 1.71622e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62753e+04 4.28597e+04 -4.09315e+05 1.91182e+03 3.22357e+02 + Potential Pressure (bar) + -3.39920e+05 -5.40322e+03 + + Step Time + 1261 1261.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25450e+02 9.38393e+02 4.95880e+03 6.75968e+01 1.71647e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62754e+04 4.28631e+04 -4.09326e+05 1.91136e+03 3.22397e+02 + Potential Pressure (bar) + -3.39947e+05 -5.40263e+03 + + Step Time + 1262 1262.00000 + + Step Time + 1263 1263.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27602e+02 9.37394e+02 4.95870e+03 6.75168e+01 1.71626e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62754e+04 4.28670e+04 -4.09336e+05 1.91123e+03 3.22464e+02 + Potential Pressure (bar) + -3.39952e+05 -5.40220e+03 + + Step Time + 1264 1264.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28528e+02 9.38906e+02 4.95869e+03 6.76114e+01 1.71644e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62755e+04 4.28715e+04 -4.09350e+05 1.91081e+03 3.22536e+02 + Potential Pressure (bar) + -3.39959e+05 -5.40241e+03 + + Step Time + 1265 1265.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.32434e+02 9.37580e+02 4.95858e+03 6.74971e+01 1.71616e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62753e+04 4.28750e+04 -4.09358e+05 1.91075e+03 3.22598e+02 + Potential Pressure (bar) + -3.39962e+05 -5.40204e+03 + + Step Time + 1266 1266.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.35012e+02 9.39872e+02 4.95858e+03 6.76358e+01 1.71644e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62755e+04 4.28800e+04 -4.09373e+05 1.91025e+03 3.22677e+02 + Potential Pressure (bar) + -3.39967e+05 -5.40240e+03 + + Step Time + 1267 1267.00000 + + Step Time + 1268 1268.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23050e+02 9.37456e+02 4.95852e+03 6.75494e+01 1.71622e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62754e+04 4.28814e+04 -4.09377e+05 1.91022e+03 3.22694e+02 + Potential Pressure (bar) + -3.39984e+05 -5.40139e+03 + + Step Time + 1269 1269.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.41289e+02 9.40526e+02 4.95832e+03 6.76405e+01 1.71634e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62754e+04 4.28991e+04 -4.09426e+05 1.90899e+03 3.22993e+02 + Potential Pressure (bar) + -3.39995e+05 -5.40179e+03 + + Step Time + 1270 1270.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24853e+02 9.37252e+02 4.95824e+03 6.75199e+01 1.71603e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62753e+04 4.29006e+04 -4.09429e+05 1.90902e+03 3.23009e+02 + Potential Pressure (bar) + -3.40018e+05 -5.40062e+03 + + Step Time + 1271 1271.00000 + + Step Time + 1272 1272.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26953e+02 9.38467e+02 4.95821e+03 6.75896e+01 1.71616e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62754e+04 4.29054e+04 -4.09443e+05 1.90859e+03 3.23088e+02 + Potential Pressure (bar) + -3.40024e+05 -5.40064e+03 + + Step Time + 1273 1273.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27240e+02 9.37247e+02 4.95812e+03 6.75017e+01 1.71594e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62753e+04 4.29086e+04 -4.09451e+05 1.90852e+03 3.23142e+02 + Potential Pressure (bar) + -3.40030e+05 -5.40031e+03 + + Step Time + 1274 1274.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30961e+02 9.39095e+02 4.95810e+03 6.76045e+01 1.71614e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62754e+04 4.29136e+04 -4.09467e+05 1.90806e+03 3.23224e+02 + Potential Pressure (bar) + -3.40034e+05 -5.40054e+03 + + Step Time + 1275 1275.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.32304e+02 9.37430e+02 4.95800e+03 6.74806e+01 1.71583e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62752e+04 4.29166e+04 -4.09474e+05 1.90806e+03 3.23276e+02 + Potential Pressure (bar) + -3.40039e+05 -5.40012e+03 + + Step Time + 1276 1276.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.39096e+02 9.40254e+02 4.95800e+03 6.76314e+01 1.71614e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62754e+04 4.29219e+04 -4.09490e+05 1.90753e+03 3.23363e+02 + Potential Pressure (bar) + -3.40040e+05 -5.40069e+03 + + Step Time + 1277 1277.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.42988e+02 9.38055e+02 4.95787e+03 6.74540e+01 1.71570e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62752e+04 4.29245e+04 -4.09495e+05 1.90762e+03 3.23413e+02 + Potential Pressure (bar) + -3.40042e+05 -5.40023e+03 + + Step Time + 1278 1278.00000 + + Step Time + 1279 1279.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23308e+02 9.37656e+02 4.95788e+03 6.75574e+01 1.71591e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62753e+04 4.29273e+04 -4.09504e+05 1.90722e+03 3.23443e+02 + Potential Pressure (bar) + -3.40068e+05 -5.39929e+03 + + Step Time + 1280 1280.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.53097e+02 9.38485e+02 4.95755e+03 6.74120e+01 1.71551e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62752e+04 4.29464e+04 -4.09555e+05 1.90627e+03 3.23778e+02 + Potential Pressure (bar) + -3.40071e+05 -5.39948e+03 + + Step Time + 1281 1281.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26459e+02 9.38208e+02 4.95758e+03 6.75649e+01 1.71580e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62753e+04 4.29499e+04 -4.09567e+05 1.90574e+03 3.23814e+02 + Potential Pressure (bar) + -3.40106e+05 -5.39869e+03 + + Step Time + 1282 1282.00000 + + Step Time + 1283 1283.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29465e+02 9.37128e+02 4.95748e+03 6.74722e+01 1.71556e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62752e+04 4.29537e+04 -4.09576e+05 1.90565e+03 3.23880e+02 + Potential Pressure (bar) + -3.40111e+05 -5.39823e+03 + + Step Time + 1284 1284.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30551e+02 9.38857e+02 4.95748e+03 6.75832e+01 1.71578e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62753e+04 4.29582e+04 -4.09590e+05 1.90518e+03 3.23953e+02 + Potential Pressure (bar) + -3.40117e+05 -5.39849e+03 + + Step Time + 1285 1285.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.35969e+02 9.37446e+02 4.95736e+03 6.74492e+01 1.71545e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62752e+04 4.29615e+04 -4.09598e+05 1.90520e+03 3.24014e+02 + Potential Pressure (bar) + -3.40118e+05 -5.39814e+03 + + Step Time + 1286 1286.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.39183e+02 9.40095e+02 4.95738e+03 6.76122e+01 1.71579e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62753e+04 4.29665e+04 -4.09613e+05 1.90466e+03 3.24094e+02 + Potential Pressure (bar) + -3.40122e+05 -5.39861e+03 + + Step Time + 1287 1287.00000 + + Step Time + 1288 1288.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23306e+02 9.37116e+02 4.95730e+03 6.75112e+01 1.71554e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62752e+04 4.29678e+04 -4.09616e+05 1.90466e+03 3.24107e+02 + Potential Pressure (bar) + -3.40143e+05 -5.39732e+03 + + Step Time + 1289 1289.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.47548e+02 9.40957e+02 4.95713e+03 6.76198e+01 1.71571e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62753e+04 4.29849e+04 -4.09664e+05 1.90346e+03 3.24403e+02 + Potential Pressure (bar) + -3.40147e+05 -5.39809e+03 + + Step Time + 1290 1290.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25742e+02 9.36935e+02 4.95703e+03 6.74778e+01 1.71534e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62752e+04 4.29863e+04 -4.09667e+05 1.90352e+03 3.24412e+02 + Potential Pressure (bar) + -3.40175e+05 -5.39660e+03 + + Step Time + 1291 1291.00000 + + Step Time + 1292 1292.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28415e+02 9.38353e+02 4.95701e+03 6.75595e+01 1.71551e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62752e+04 4.29911e+04 -4.09681e+05 1.90310e+03 3.24492e+02 + Potential Pressure (bar) + -3.40180e+05 -5.39669e+03 + + Step Time + 1293 1293.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28964e+02 9.36981e+02 4.95691e+03 6.74573e+01 1.71525e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62751e+04 4.29942e+04 -4.09688e+05 1.90305e+03 3.24544e+02 + Potential Pressure (bar) + -3.40186e+05 -5.39630e+03 + + Step Time + 1294 1294.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33748e+02 9.39157e+02 4.95691e+03 6.75775e+01 1.71550e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62752e+04 4.29992e+04 -4.09703e+05 1.90258e+03 3.24627e+02 + Potential Pressure (bar) + -3.40189e+05 -5.39667e+03 + + Step Time + 1295 1295.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.35788e+02 9.37301e+02 4.95679e+03 6.74330e+01 1.71513e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62751e+04 4.30020e+04 -4.09709e+05 1.90263e+03 3.24678e+02 + Potential Pressure (bar) + -3.40193e+05 -5.39619e+03 + + Step Time + 1296 1296.00000 + + Step Time + 1297 1297.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23362e+02 9.37298e+02 4.95680e+03 6.75162e+01 1.71531e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62752e+04 4.30046e+04 -4.09718e+05 1.90228e+03 3.24711e+02 + Potential Pressure (bar) + -3.40211e+05 -5.39564e+03 + + Step Time + 1298 1298.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.42268e+02 9.37506e+02 4.95650e+03 6.73984e+01 1.71495e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62750e+04 4.30229e+04 -4.09766e+05 1.90133e+03 3.25025e+02 + Potential Pressure (bar) + -3.40224e+05 -5.39535e+03 + + Step Time + 1299 1299.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25479e+02 9.37701e+02 4.95651e+03 6.75223e+01 1.71519e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62752e+04 4.30261e+04 -4.09777e+05 1.90090e+03 3.25065e+02 + Potential Pressure (bar) + -3.40248e+05 -5.39490e+03 + + Step Time + 1300 1300.00000 + + Step Time + 1301 1301.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27177e+02 9.36764e+02 4.95642e+03 6.74467e+01 1.71499e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62751e+04 4.30299e+04 -4.09786e+05 1.90078e+03 3.25130e+02 + Potential Pressure (bar) + -3.40253e+05 -5.39447e+03 + + Step Time + 1302 1302.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28183e+02 9.38151e+02 4.95641e+03 6.75353e+01 1.71517e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62752e+04 4.30342e+04 -4.09800e+05 1.90038e+03 3.25200e+02 + Potential Pressure (bar) + -3.40259e+05 -5.39464e+03 + + Step Time + 1303 1303.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.31320e+02 9.36908e+02 4.95630e+03 6.74269e+01 1.71489e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62750e+04 4.30376e+04 -4.09808e+05 1.90033e+03 3.25260e+02 + Potential Pressure (bar) + -3.40263e+05 -5.39426e+03 + + Step Time + 1304 1304.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33846e+02 9.39003e+02 4.95630e+03 6.75574e+01 1.71516e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62752e+04 4.30423e+04 -4.09822e+05 1.89985e+03 3.25337e+02 + Potential Pressure (bar) + -3.40268e+05 -5.39462e+03 + + Step Time + 1305 1305.00000 + + Step Time + 1306 1306.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23315e+02 9.36849e+02 4.95624e+03 6.74761e+01 1.71495e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62751e+04 4.30438e+04 -4.09825e+05 1.89984e+03 3.25355e+02 + Potential Pressure (bar) + -3.40283e+05 -5.39367e+03 + + Step Time + 1307 1307.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.39346e+02 9.39560e+02 4.95605e+03 6.75623e+01 1.71507e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62752e+04 4.30610e+04 -4.09874e+05 1.89867e+03 3.25650e+02 + Potential Pressure (bar) + -3.40296e+05 -5.39392e+03 + + Step Time + 1308 1308.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24838e+02 9.36646e+02 4.95597e+03 6.74484e+01 1.71476e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62750e+04 4.30626e+04 -4.09877e+05 1.89868e+03 3.25667e+02 + Potential Pressure (bar) + -3.40316e+05 -5.39285e+03 + + Step Time + 1309 1309.00000 + + Step Time + 1310 1310.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26813e+02 9.37755e+02 4.95594e+03 6.75144e+01 1.71490e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62751e+04 4.30673e+04 -4.09891e+05 1.89830e+03 3.25744e+02 + Potential Pressure (bar) + -3.40322e+05 -5.39289e+03 + + Step Time + 1311 1311.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26878e+02 9.36628e+02 4.95586e+03 6.74310e+01 1.71467e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62750e+04 4.30704e+04 -4.09898e+05 1.89823e+03 3.25797e+02 + Potential Pressure (bar) + -3.40327e+05 -5.39253e+03 + + Step Time + 1312 1312.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30320e+02 9.38314e+02 4.95584e+03 6.75277e+01 1.71488e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62751e+04 4.30752e+04 -4.09913e+05 1.89778e+03 3.25878e+02 + Potential Pressure (bar) + -3.40332e+05 -5.39275e+03 + + Step Time + 1313 1313.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.31218e+02 9.36770e+02 4.95574e+03 6.74100e+01 1.71457e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62750e+04 4.30781e+04 -4.09920e+05 1.89777e+03 3.25928e+02 + Potential Pressure (bar) + -3.40337e+05 -5.39228e+03 + + Step Time + 1314 1314.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.37423e+02 9.39335e+02 4.95574e+03 6.75520e+01 1.71488e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62751e+04 4.30832e+04 -4.09935e+05 1.89728e+03 3.26014e+02 + Potential Pressure (bar) + -3.40338e+05 -5.39282e+03 + + Step Time + 1315 1315.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.40412e+02 9.37287e+02 4.95562e+03 6.73834e+01 1.71445e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62749e+04 4.30858e+04 -4.09940e+05 1.89737e+03 3.26062e+02 + Potential Pressure (bar) + -3.40341e+05 -5.39229e+03 + + Step Time + 1316 1316.00000 + + Step Time + 1317 1317.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23602e+02 9.37024e+02 4.95563e+03 6.74809e+01 1.71466e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62751e+04 4.30884e+04 -4.09949e+05 1.89701e+03 3.26092e+02 + Potential Pressure (bar) + -3.40364e+05 -5.39154e+03 + + Step Time + 1318 1318.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.49113e+02 9.37644e+02 4.95532e+03 6.73453e+01 1.71427e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62749e+04 4.31067e+04 -4.09998e+05 1.89609e+03 3.26413e+02 + Potential Pressure (bar) + -3.40370e+05 -5.39146e+03 + + Step Time + 1319 1319.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26385e+02 9.37524e+02 4.95534e+03 6.74885e+01 1.71455e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62750e+04 4.31100e+04 -4.10008e+05 1.89563e+03 3.26450e+02 + Potential Pressure (bar) + -3.40400e+05 -5.39085e+03 + + Step Time + 1320 1320.00000 + + Step Time + 1321 1321.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28793e+02 9.36510e+02 4.95525e+03 6.73996e+01 1.71432e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62749e+04 4.31137e+04 -4.10018e+05 1.89553e+03 3.26514e+02 + Potential Pressure (bar) + -3.40405e+05 -5.39034e+03 + + Step Time + 1322 1322.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29970e+02 9.38100e+02 4.95524e+03 6.75040e+01 1.71454e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62751e+04 4.31180e+04 -4.10031e+05 1.89511e+03 3.26585e+02 + Potential Pressure (bar) + -3.40411e+05 -5.39060e+03 + + Step Time + 1323 1323.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.34382e+02 9.36768e+02 4.95513e+03 6.73784e+01 1.71421e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62749e+04 4.31213e+04 -4.10039e+05 1.89509e+03 3.26643e+02 + Potential Pressure (bar) + -3.40413e+05 -5.39021e+03 + + Step Time + 1324 1324.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.37515e+02 9.39188e+02 4.95515e+03 6.75317e+01 1.71454e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62751e+04 4.31260e+04 -4.10053e+05 1.89461e+03 3.26722e+02 + Potential Pressure (bar) + -3.40417e+05 -5.39067e+03 + + Step Time + 1325 1325.00000 + + Step Time + 1326 1326.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23546e+02 9.36535e+02 4.95508e+03 6.74368e+01 1.71430e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62750e+04 4.31274e+04 -4.10056e+05 1.89461e+03 3.26736e+02 + Potential Pressure (bar) + -3.40435e+05 -5.38951e+03 + + Step Time + 1327 1327.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.44825e+02 9.39937e+02 4.95490e+03 6.75373e+01 1.71447e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62751e+04 4.31441e+04 -4.10103e+05 1.89346e+03 3.27027e+02 + Potential Pressure (bar) + -3.40442e+05 -5.39004e+03 + + Step Time + 1328 1328.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25618e+02 9.36349e+02 4.95482e+03 6.74035e+01 1.71411e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62749e+04 4.31455e+04 -4.10106e+05 1.89353e+03 3.27039e+02 + Potential Pressure (bar) + -3.40466e+05 -5.38871e+03 + + Step Time + 1329 1329.00000 + + Step Time + 1330 1330.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28119e+02 9.37644e+02 4.95479e+03 6.74802e+01 1.71427e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62750e+04 4.31501e+04 -4.10119e+05 1.89313e+03 3.27116e+02 + Potential Pressure (bar) + -3.40472e+05 -5.38878e+03 + + Step Time + 1331 1331.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28370e+02 9.36377e+02 4.95470e+03 6.73840e+01 1.71401e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62749e+04 4.31532e+04 -4.10126e+05 1.89307e+03 3.27168e+02 + Potential Pressure (bar) + -3.40477e+05 -5.38837e+03 + + Step Time + 1332 1332.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.32792e+02 9.38354e+02 4.95470e+03 6.74971e+01 1.71426e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62750e+04 4.31580e+04 -4.10141e+05 1.89263e+03 3.27249e+02 + Potential Pressure (bar) + -3.40481e+05 -5.38873e+03 + + Step Time + 1333 1333.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.34231e+02 9.36631e+02 4.95458e+03 6.73612e+01 1.71391e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62748e+04 4.31608e+04 -4.10147e+05 1.89267e+03 3.27298e+02 + Potential Pressure (bar) + -3.40484e+05 -5.38819e+03 + + Step Time + 1334 1334.00000 + + Step Time + 1335 1335.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23658e+02 9.36699e+02 4.95459e+03 6.74400e+01 1.71408e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62750e+04 4.31632e+04 -4.10155e+05 1.89235e+03 3.27331e+02 + Potential Pressure (bar) + -3.40501e+05 -5.38774e+03 + + Step Time + 1336 1336.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.39821e+02 9.36800e+02 4.95431e+03 6.73279e+01 1.71373e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62748e+04 4.31806e+04 -4.10201e+05 1.89148e+03 3.27631e+02 + Potential Pressure (bar) + -3.40514e+05 -5.38731e+03 + + Step Time + 1337 1337.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25542e+02 9.37061e+02 4.95432e+03 6.74445e+01 1.71397e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62750e+04 4.31836e+04 -4.10211e+05 1.89107e+03 3.27671e+02 + Potential Pressure (bar) + -3.40536e+05 -5.38694e+03 + + Step Time + 1338 1338.00000 + + Step Time + 1339 1339.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26847e+02 9.36193e+02 4.95423e+03 6.73723e+01 1.71377e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62749e+04 4.31874e+04 -4.10220e+05 1.89096e+03 3.27735e+02 + Potential Pressure (bar) + -3.40541e+05 -5.38652e+03 + + Step Time + 1340 1340.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27925e+02 9.37466e+02 4.95422e+03 6.74558e+01 1.71395e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62750e+04 4.31915e+04 -4.10233e+05 1.89058e+03 3.27804e+02 + Potential Pressure (bar) + -3.40547e+05 -5.38667e+03 + + Step Time + 1341 1341.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30394e+02 9.36305e+02 4.95412e+03 6.73530e+01 1.71368e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62748e+04 4.31949e+04 -4.10241e+05 1.89053e+03 3.27862e+02 + Potential Pressure (bar) + -3.40551e+05 -5.38625e+03 + + Step Time + 1342 1342.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.32890e+02 9.38217e+02 4.95412e+03 6.74768e+01 1.71394e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62750e+04 4.31993e+04 -4.10255e+05 1.89010e+03 3.27936e+02 + Potential Pressure (bar) + -3.40556e+05 -5.38658e+03 + + Step Time + 1343 1343.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.37711e+02 9.36693e+02 4.95400e+03 6.73306e+01 1.71356e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62748e+04 4.32024e+04 -4.10261e+05 1.89013e+03 3.27992e+02 + Potential Pressure (bar) + -3.40556e+05 -5.38619e+03 + + Step Time + 1344 1344.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.43227e+02 9.39645e+02 4.95403e+03 6.75112e+01 1.71396e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62750e+04 4.32072e+04 -4.10277e+05 1.88960e+03 3.28075e+02 + Potential Pressure (bar) + -3.40559e+05 -5.38683e+03 + + Step Time + 1345 1345.00000 + + Step Time + 1346 1346.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23699e+02 9.36262e+02 4.95396e+03 6.73992e+01 1.71367e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62749e+04 4.32084e+04 -4.10279e+05 1.88961e+03 3.28082e+02 + Potential Pressure (bar) + -3.40583e+05 -5.38530e+03 + + Step Time + 1347 1347.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.53192e+02 9.40598e+02 4.95376e+03 6.75144e+01 1.71389e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62750e+04 4.32274e+04 -4.10332e+05 1.88834e+03 3.28417e+02 + Potential Pressure (bar) + -3.40584e+05 -5.38619e+03 + + Step Time + 1348 1348.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26281e+02 9.36067e+02 4.95366e+03 6.73593e+01 1.71346e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62748e+04 4.32286e+04 -4.10334e+05 1.88843e+03 3.28420e+02 + Potential Pressure (bar) + -3.40617e+05 -5.38444e+03 + + Step Time + 1349 1349.00000 + + Step Time + 1350 1350.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30312e+02 9.37659e+02 4.95364e+03 6.74502e+01 1.71366e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62749e+04 4.32334e+04 -4.10348e+05 1.88801e+03 3.28503e+02 + Potential Pressure (bar) + -3.40621e+05 -5.38459e+03 + + Step Time + 1351 1351.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29845e+02 9.36152e+02 4.95355e+03 6.73380e+01 1.71336e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62748e+04 4.32363e+04 -4.10354e+05 1.88800e+03 3.28549e+02 + Potential Pressure (bar) + -3.40626e+05 -5.38409e+03 + + Step Time + 1352 1352.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.36734e+02 9.38592e+02 4.95355e+03 6.74717e+01 1.71366e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62749e+04 4.32411e+04 -4.10369e+05 1.88753e+03 3.28635e+02 + Potential Pressure (bar) + -3.40627e+05 -5.38462e+03 + + Step Time + 1353 1353.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.37524e+02 9.36554e+02 4.95343e+03 6.73122e+01 1.71324e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62747e+04 4.32437e+04 -4.10374e+05 1.88761e+03 3.28679e+02 + Potential Pressure (bar) + -3.40632e+05 -5.38399e+03 + + Step Time + 1354 1354.00000 + + Step Time + 1355 1355.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24007e+02 9.36482e+02 4.95344e+03 6.74044e+01 1.71345e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62749e+04 4.32462e+04 -4.10383e+05 1.88726e+03 3.28712e+02 + Potential Pressure (bar) + -3.40651e+05 -5.38340e+03 + + Step Time + 1356 1356.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.44907e+02 9.36865e+02 4.95319e+03 6.72769e+01 1.71308e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62747e+04 4.32608e+04 -4.10421e+05 1.88662e+03 3.28970e+02 + Potential Pressure (bar) + -3.40654e+05 -5.38326e+03 + + Step Time + 1357 1357.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26680e+02 9.36974e+02 4.95321e+03 6.74131e+01 1.71337e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62749e+04 4.32639e+04 -4.10432e+05 1.88618e+03 3.29009e+02 + Potential Pressure (bar) + -3.40680e+05 -5.38280e+03 + + Step Time + 1358 1358.00000 + + Step Time + 1359 1359.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27854e+02 9.35953e+02 4.95313e+03 6.73295e+01 1.71314e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62748e+04 4.32673e+04 -4.10440e+05 1.88609e+03 3.29066e+02 + Potential Pressure (bar) + -3.40685e+05 -5.38228e+03 + + Step Time + 1360 1360.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29983e+02 9.37495e+02 4.95311e+03 6.74280e+01 1.71336e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62749e+04 4.32716e+04 -4.10453e+05 1.88570e+03 3.29139e+02 + Potential Pressure (bar) + -3.40690e+05 -5.38258e+03 + + Step Time + 1361 1361.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.32493e+02 9.36145e+02 4.95301e+03 6.73083e+01 1.71304e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62747e+04 4.32747e+04 -4.10459e+05 1.88569e+03 3.29193e+02 + Potential Pressure (bar) + -3.40693e+05 -5.38208e+03 + + Step Time + 1362 1362.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.36812e+02 9.38477e+02 4.95302e+03 6.74525e+01 1.71337e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62749e+04 4.32793e+04 -4.10474e+05 1.88523e+03 3.29272e+02 + Potential Pressure (bar) + -3.40696e+05 -5.38259e+03 + + Step Time + 1363 1363.00000 + + Step Time + 1364 1364.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23712e+02 9.36032e+02 4.95296e+03 6.73631e+01 1.71313e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62748e+04 4.32806e+04 -4.10476e+05 1.88522e+03 3.29286e+02 + Potential Pressure (bar) + -3.40713e+05 -5.38146e+03 + + Step Time + 1365 1365.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.43412e+02 9.39108e+02 4.95274e+03 6.74537e+01 1.71327e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62749e+04 4.33006e+04 -4.10532e+05 1.88390e+03 3.29633e+02 + Potential Pressure (bar) + -3.40727e+05 -5.38169e+03 + + Step Time + 1366 1366.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25297e+02 9.35812e+02 4.95265e+03 6.73282e+01 1.71292e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62747e+04 4.33020e+04 -4.10535e+05 1.88396e+03 3.29645e+02 + Potential Pressure (bar) + -3.40750e+05 -5.38041e+03 + + Step Time + 1367 1367.00000 + + Step Time + 1368 1368.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28306e+02 9.37063e+02 4.95262e+03 6.74011e+01 1.71307e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62748e+04 4.33068e+04 -4.10549e+05 1.88357e+03 3.29726e+02 + Potential Pressure (bar) + -3.40755e+05 -5.38049e+03 + + Step Time + 1369 1369.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27523e+02 9.35817e+02 4.95254e+03 6.73094e+01 1.71283e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62747e+04 4.33096e+04 -4.10555e+05 1.88354e+03 3.29772e+02 + Potential Pressure (bar) + -3.40761e+05 -5.37999e+03 + + Step Time + 1370 1370.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.32577e+02 9.37708e+02 4.95253e+03 6.74169e+01 1.71307e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62748e+04 4.33144e+04 -4.10570e+05 1.88311e+03 3.29855e+02 + Potential Pressure (bar) + -3.40764e+05 -5.38034e+03 + + Step Time + 1371 1371.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.32381e+02 9.36007e+02 4.95243e+03 6.72872e+01 1.71272e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62747e+04 4.33171e+04 -4.10575e+05 1.88313e+03 3.29900e+02 + Potential Pressure (bar) + -3.40769e+05 -5.37974e+03 + + Step Time + 1372 1372.00000 + + Step Time + 1373 1373.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24057e+02 9.36186e+02 4.95243e+03 6.73625e+01 1.71289e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62748e+04 4.33195e+04 -4.10583e+05 1.88285e+03 3.29935e+02 + Potential Pressure (bar) + -3.40783e+05 -5.37938e+03 + + Step Time + 1374 1374.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.37063e+02 9.36167e+02 4.95220e+03 6.72606e+01 1.71257e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62746e+04 4.33329e+04 -4.10618e+05 1.88222e+03 3.30168e+02 + Potential Pressure (bar) + -3.40793e+05 -5.37896e+03 + + Step Time + 1375 1375.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25892e+02 9.36552e+02 4.95222e+03 6.73707e+01 1.71281e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62748e+04 4.33358e+04 -4.10628e+05 1.88184e+03 3.30210e+02 + Potential Pressure (bar) + -3.40810e+05 -5.37870e+03 + + Step Time + 1376 1376.00000 + + Step Time + 1377 1377.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26285e+02 9.35689e+02 4.95214e+03 6.73018e+01 1.71262e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62747e+04 4.33392e+04 -4.10636e+05 1.88174e+03 3.30267e+02 + Potential Pressure (bar) + -3.40816e+05 -5.37822e+03 + + Step Time + 1378 1378.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28121e+02 9.36918e+02 4.95212e+03 6.73806e+01 1.71279e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62748e+04 4.33433e+04 -4.10648e+05 1.88138e+03 3.30337e+02 + Potential Pressure (bar) + -3.40821e+05 -5.37841e+03 + + Step Time + 1379 1379.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29200e+02 9.35757e+02 4.95203e+03 6.72830e+01 1.71253e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62746e+04 4.33465e+04 -4.10656e+05 1.88134e+03 3.30391e+02 + Potential Pressure (bar) + -3.40826e+05 -5.37792e+03 + + Step Time + 1380 1380.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.32670e+02 9.37601e+02 4.95203e+03 6.73984e+01 1.71279e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62748e+04 4.33509e+04 -4.10669e+05 1.88092e+03 3.30466e+02 + Potential Pressure (bar) + -3.40830e+05 -5.37830e+03 + + Step Time + 1381 1381.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.35306e+02 9.36060e+02 4.95192e+03 6.72595e+01 1.71241e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62746e+04 4.33538e+04 -4.10675e+05 1.88096e+03 3.30517e+02 + Potential Pressure (bar) + -3.40832e+05 -5.37776e+03 + + Step Time + 1382 1382.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.41988e+02 9.38884e+02 4.95193e+03 6.74308e+01 1.71281e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62748e+04 4.33585e+04 -4.10690e+05 1.88046e+03 3.30600e+02 + Potential Pressure (bar) + -3.40833e+05 -5.37845e+03 + + Step Time + 1383 1383.00000 + + Step Time + 1384 1384.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.23861e+02 9.35786e+02 4.95187e+03 6.73250e+01 1.71253e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62747e+04 4.33597e+04 -4.10692e+05 1.88047e+03 3.30608e+02 + Potential Pressure (bar) + -3.40855e+05 -5.37701e+03 + + Step Time + 1385 1385.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.50936e+02 9.39686e+02 4.95162e+03 6.74295e+01 1.71271e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62749e+04 4.33823e+04 -4.10755e+05 1.87900e+03 3.31006e+02 + Potential Pressure (bar) + -3.40866e+05 -5.37747e+03 + + Step Time + 1386 1386.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.25855e+02 9.35551e+02 4.95153e+03 6.72832e+01 1.71229e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62746e+04 4.33836e+04 -4.10757e+05 1.87908e+03 3.31010e+02 + Potential Pressure (bar) + -3.40896e+05 -5.37584e+03 + + Step Time + 1387 1387.00000 + + Step Time + 1388 1388.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30352e+02 9.37077e+02 4.95150e+03 6.73688e+01 1.71248e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62747e+04 4.33885e+04 -4.10771e+05 1.87868e+03 3.31095e+02 + Potential Pressure (bar) + -3.40899e+05 -5.37599e+03 + + Step Time + 1389 1389.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28762e+02 9.35605e+02 4.95141e+03 6.72625e+01 1.71219e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62746e+04 4.33912e+04 -4.10777e+05 1.87867e+03 3.31138e+02 + Potential Pressure (bar) + -3.40906e+05 -5.37541e+03 + + Step Time + 1390 1390.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.36190e+02 9.37926e+02 4.95141e+03 6.73886e+01 1.71248e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62748e+04 4.33960e+04 -4.10792e+05 1.87821e+03 3.31225e+02 + Potential Pressure (bar) + -3.40907e+05 -5.37594e+03 + + Step Time + 1391 1391.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.35168e+02 9.35920e+02 4.95130e+03 6.72377e+01 1.71207e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62745e+04 4.33985e+04 -4.10797e+05 1.87830e+03 3.31266e+02 + Potential Pressure (bar) + -3.40912e+05 -5.37521e+03 + + Step Time + 1392 1392.00000 + + Step Time + 1393 1393.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24421e+02 9.35995e+02 4.95131e+03 6.73248e+01 1.71228e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62747e+04 4.34010e+04 -4.10805e+05 1.87798e+03 3.31301e+02 + Potential Pressure (bar) + -3.40928e+05 -5.37478e+03 + + Step Time + 1394 1394.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.41382e+02 9.36201e+02 4.95109e+03 6.72080e+01 1.71193e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62745e+04 4.34128e+04 -4.10835e+05 1.87748e+03 3.31510e+02 + Potential Pressure (bar) + -3.40931e+05 -5.37454e+03 + + Step Time + 1395 1395.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26989e+02 9.36471e+02 4.95111e+03 6.73374e+01 1.71223e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62747e+04 4.34158e+04 -4.10845e+05 1.87707e+03 3.31552e+02 + Potential Pressure (bar) + -3.40952e+05 -5.37419e+03 + + Step Time + 1396 1396.00000 + + Step Time + 1397 1397.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.27128e+02 9.35465e+02 4.95103e+03 6.72565e+01 1.71200e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62746e+04 4.34190e+04 -4.10852e+05 1.87700e+03 3.31604e+02 + Potential Pressure (bar) + -3.40957e+05 -5.37366e+03 + + Step Time + 1398 1398.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30062e+02 9.36942e+02 4.95102e+03 6.73497e+01 1.71221e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62747e+04 4.34233e+04 -4.10866e+05 1.87661e+03 3.31678e+02 + Potential Pressure (bar) + -3.40962e+05 -5.37397e+03 + + Step Time + 1399 1399.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.30961e+02 9.35597e+02 4.95092e+03 6.72356e+01 1.71190e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62745e+04 4.34262e+04 -4.10872e+05 1.87661e+03 3.31727e+02 + Potential Pressure (bar) + -3.40966e+05 -5.37340e+03 + + Step Time + 1400 1400.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.36277e+02 9.37833e+02 4.95092e+03 6.73726e+01 1.71222e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62747e+04 4.34307e+04 -4.10886e+05 1.87615e+03 3.31807e+02 + Potential Pressure (bar) + -3.40968e+05 -5.37394e+03 + + Step Time + 1401 1401.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.39051e+02 9.36060e+02 4.95081e+03 6.72093e+01 1.71178e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62745e+04 4.34334e+04 -4.10891e+05 1.87626e+03 3.31854e+02 + Potential Pressure (bar) + -3.40970e+05 -5.37331e+03 + + Step Time + 1402 1402.00000 + + Step Time + 1403 1403.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24206e+02 9.35812e+02 4.95082e+03 6.73038e+01 1.71200e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62746e+04 4.34357e+04 -4.10899e+05 1.87593e+03 3.31884e+02 + Potential Pressure (bar) + -3.40991e+05 -5.37270e+03 + + Step Time + 1404 1404.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.46736e+02 9.36382e+02 4.95051e+03 6.71706e+01 1.71159e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62744e+04 4.34546e+04 -4.10948e+05 1.87503e+03 3.32213e+02 + Potential Pressure (bar) + -3.40999e+05 -5.37224e+03 + + Step Time + 1405 1405.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26654e+02 9.36251e+02 4.95054e+03 6.73099e+01 1.71191e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62746e+04 4.34575e+04 -4.10958e+05 1.87463e+03 3.32250e+02 + Potential Pressure (bar) + -3.41026e+05 -5.37178e+03 + + Step Time + 1406 1406.00000 + + Step Time + 1407 1407.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28820e+02 9.35379e+02 4.95044e+03 6.72250e+01 1.71167e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62745e+04 4.34611e+04 -4.10967e+05 1.87453e+03 3.32313e+02 + Potential Pressure (bar) + -3.41031e+05 -5.37124e+03 + + Step Time + 1408 1408.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.29797e+02 9.36758e+02 4.95044e+03 6.73257e+01 1.71190e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62747e+04 4.34650e+04 -4.10979e+05 1.87417e+03 3.32379e+02 + Potential Pressure (bar) + -3.41037e+05 -5.37145e+03 + + Step Time + 1409 1409.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33743e+02 9.35618e+02 4.95033e+03 6.72035e+01 1.71156e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62745e+04 4.34683e+04 -4.10986e+05 1.87416e+03 3.32436e+02 + Potential Pressure (bar) + -3.41038e+05 -5.37099e+03 + + Step Time + 1410 1410.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.36424e+02 9.37720e+02 4.95035e+03 6.73517e+01 1.71191e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62747e+04 4.34725e+04 -4.11000e+05 1.87371e+03 3.32510e+02 + Potential Pressure (bar) + -3.41042e+05 -5.37144e+03 + + Step Time + 1411 1411.00000 + + Step Time + 1412 1412.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24183e+02 9.35401e+02 4.95029e+03 6.72601e+01 1.71166e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62745e+04 4.34739e+04 -4.11002e+05 1.87372e+03 3.32524e+02 + Potential Pressure (bar) + -3.41058e+05 -5.37034e+03 + + Step Time + 1413 1413.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.42853e+02 9.38394e+02 4.95013e+03 6.73594e+01 1.71186e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62747e+04 4.34884e+04 -4.11043e+05 1.87275e+03 3.32782e+02 + Potential Pressure (bar) + -3.41063e+05 -5.37079e+03 + + Step Time + 1414 1414.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.26010e+02 9.35258e+02 4.95005e+03 6.72297e+01 1.71149e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62745e+04 4.34899e+04 -4.11045e+05 1.87280e+03 3.32795e+02 + Potential Pressure (bar) + -3.41085e+05 -5.36946e+03 + + Step Time + 1415 1415.00000 + + Step Time + 1416 1416.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28188e+02 9.36383e+02 4.95003e+03 6.73050e+01 1.71166e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62746e+04 4.34940e+04 -4.11057e+05 1.87246e+03 3.32867e+02 + Potential Pressure (bar) + -3.41090e+05 -5.36955e+03 + + Step Time + 1417 1417.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.28442e+02 9.35286e+02 4.94994e+03 6.72112e+01 1.71140e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62744e+04 4.34971e+04 -4.11064e+05 1.87241e+03 3.32917e+02 + Potential Pressure (bar) + -3.41095e+05 -5.36906e+03 + + Step Time + 1418 1418.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.32300e+02 9.37011e+02 4.94994e+03 6.73209e+01 1.71166e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62746e+04 4.35013e+04 -4.11078e+05 1.87202e+03 3.32992e+02 + Potential Pressure (bar) + -3.41098e+05 -5.36941e+03 + + Step Time + 1419 1419.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.33614e+02 9.35524e+02 4.94983e+03 6.71880e+01 1.71129e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62744e+04 4.35042e+04 -4.11083e+05 1.87205e+03 3.33040e+02 + Potential Pressure (bar) + -3.41101e+05 -5.36881e+03 + + Step Time + 1420 1420.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.40651e+02 9.38169e+02 4.94985e+03 6.73497e+01 1.71168e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62747e+04 4.35087e+04 -4.11098e+05 1.87157e+03 3.33122e+02 + Potential Pressure (bar) + -3.41102e+05 -5.36952e+03 + + Step Time + 1421 1421.00000 + + Step Time + 1422 1422.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.24084e+02 9.35354e+02 4.94979e+03 6.72495e+01 1.71141e+03 + Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. Position Rest. + 1.62745e+04 4.35099e+04 -4.11100e+05 1.87159e+03 3.33130e+02 + Potential Pressure (bar) + -3.41122e+05 -5.36815e+03 + + +Steepest Descents converged to Fmax < 500 in 1423 steps +Potential Energy = -3.4112247e+05 +Maximum force = 4.6638596e+02 on atom 112 +Norm of force = 1.4868777e+01 + + D O M A I N D E C O M P O S I T I O N S T A T I S T I C S + + av. #atoms communicated per step for force: 2 x 0.0 + +Finished mdrun on rank 0 Tue Jan 14 16:16:09 2025 + diff --git a/biobb_wf_md_setup/tests/python/reference/step10_mdrun_min/min.trr b/biobb_wf_md_setup/tests/python/reference/step10_mdrun_min/min.trr new file mode 100644 index 0000000..70d9f6d Binary files /dev/null and b/biobb_wf_md_setup/tests/python/reference/step10_mdrun_min/min.trr differ diff --git a/biobb_wf_md_setup/tests/python/reference/step11_grompp_nvt/gppnvt.tpr b/biobb_wf_md_setup/tests/python/reference/step11_grompp_nvt/gppnvt.tpr new file mode 100644 index 0000000..3b3d619 Binary files /dev/null and b/biobb_wf_md_setup/tests/python/reference/step11_grompp_nvt/gppnvt.tpr differ diff --git a/biobb_wf_md_setup/tests/python/reference/step12_mdrun_nvt/nvt.cpt b/biobb_wf_md_setup/tests/python/reference/step12_mdrun_nvt/nvt.cpt new file mode 100644 index 0000000..8bfc218 Binary files /dev/null and b/biobb_wf_md_setup/tests/python/reference/step12_mdrun_nvt/nvt.cpt differ diff --git a/biobb_wf_md_setup/tests/python/reference/step12_mdrun_nvt/nvt.edr b/biobb_wf_md_setup/tests/python/reference/step12_mdrun_nvt/nvt.edr new file mode 100644 index 0000000..8c92ff3 Binary files /dev/null and b/biobb_wf_md_setup/tests/python/reference/step12_mdrun_nvt/nvt.edr differ diff --git a/biobb_wf_md_setup/tests/python/reference/step12_mdrun_nvt/nvt.gro b/biobb_wf_md_setup/tests/python/reference/step12_mdrun_nvt/nvt.gro new file mode 100644 index 0000000..76847f6 --- /dev/null +++ b/biobb_wf_md_setup/tests/python/reference/step12_mdrun_nvt/nvt.gro @@ -0,0 +1,21734 @@ +Protein in water +21731 + 1LYS N 1 4.055 4.443 1.488 -0.6481 -0.4981 -0.3059 + 1LYS H1 2 3.982 4.422 1.421 -0.3067 -1.5620 -0.3701 + 1LYS H2 3 4.001 4.495 1.556 -1.7573 0.9665 -2.2180 + 1LYS H3 4 4.127 4.500 1.446 -1.1233 -0.3831 -0.9738 + 1LYS CA 5 4.109 4.311 1.538 -0.2103 0.1231 0.5229 + 1LYS HA 6 4.160 4.252 1.461 2.7339 2.6919 0.3183 + 1LYS CB 7 4.231 4.332 1.641 1.0158 0.1666 0.1646 + 1LYS HB1 8 4.202 4.405 1.716 -2.5956 -0.2726 -0.6481 + 1LYS HB2 9 4.318 4.369 1.586 0.4392 0.0862 -0.8123 + 1LYS CG 10 4.288 4.204 1.716 0.4690 -0.4645 0.5957 + 1LYS HG1 11 4.342 4.136 1.650 0.2108 -0.2226 0.1325 + 1LYS HG2 12 4.207 4.158 1.772 -1.8911 0.6077 -1.7268 + 1LYS CD 13 4.390 4.242 1.827 0.4102 0.6184 -0.0594 + 1LYS HD1 14 4.348 4.316 1.894 1.4520 1.6638 -0.5345 + 1LYS HD2 15 4.481 4.280 1.779 -0.4482 1.4171 -1.1229 + 1LYS CE 16 4.433 4.119 1.906 0.2288 -0.4490 -0.5588 + 1LYS HE1 17 4.478 4.050 1.834 -1.1361 -0.6353 -1.2570 + 1LYS HE2 18 4.355 4.070 1.963 0.7776 -2.8189 -1.6827 + 1LYS NZ 19 4.548 4.140 1.995 0.1302 -0.1788 0.1844 + 1LYS HZ1 20 4.582 4.052 2.031 3.5403 1.1663 0.5707 + 1LYS HZ2 21 4.633 4.174 1.953 0.0163 0.4765 0.4560 + 1LYS HZ3 22 4.530 4.196 2.078 -0.2593 -0.8045 0.5304 + 1LYS C 23 3.991 4.234 1.596 1.0177 0.5577 0.5692 + 1LYS O 24 3.908 4.295 1.661 -0.2293 -0.3935 -0.2354 + 2VAL N 25 3.987 4.100 1.574 -0.1528 -0.1297 -0.0435 + 2VAL H 26 4.055 4.072 1.505 -1.1746 -0.4481 -0.9500 + 2VAL CA 27 3.904 4.004 1.646 -0.4232 0.3023 -0.0620 + 2VAL HA 28 3.842 4.065 1.712 0.5014 0.2086 0.9210 + 2VAL CB 29 3.832 3.892 1.561 -0.1009 -0.9893 -1.2024 + 2VAL HB 30 3.912 3.845 1.504 1.5936 1.2298 -0.7971 + 2VAL CG1 31 3.754 3.800 1.649 0.5134 -0.0091 0.1241 + 2VAL HG11 32 3.825 3.746 1.711 -0.3590 -2.7031 -1.0925 + 2VAL HG12 33 3.682 3.858 1.707 0.4059 -1.0879 1.1140 + 2VAL HG13 34 3.699 3.733 1.583 -1.1462 1.4352 -0.0567 + 2VAL CG2 35 3.741 3.968 1.466 -0.2095 -0.0924 -0.4227 + 2VAL HG21 36 3.666 3.903 1.422 0.3493 -0.3858 -0.9693 + 2VAL HG22 37 3.687 4.044 1.523 0.6767 -0.7199 1.3119 + 2VAL HG23 38 3.797 4.029 1.394 -1.5115 4.3237 1.9524 + 2VAL C 39 4.003 3.938 1.747 -0.7678 0.8152 -0.0471 + 2VAL O 40 4.116 3.891 1.710 0.1515 -0.3194 -0.0378 + 3PHE N 41 3.966 3.928 1.871 0.2283 0.3135 -0.7470 + 3PHE H 42 3.872 3.957 1.890 0.4777 0.3544 0.5339 + 3PHE CA 43 4.039 3.864 1.988 -0.1451 -0.2865 0.5455 + 3PHE HA 44 4.146 3.867 1.970 0.3779 -1.2557 3.1120 + 3PHE CB 45 4.020 3.944 2.112 -0.2958 0.1083 0.5570 + 3PHE HB1 46 4.045 3.879 2.196 -1.4016 1.7589 2.2515 + 3PHE HB2 47 3.913 3.959 2.131 -0.0575 0.0997 2.0297 + 3PHE CG 48 4.113 4.068 2.125 -0.9349 -0.7335 -0.4577 + 3PHE CD1 49 4.083 4.190 2.058 0.9043 0.7633 0.5097 + 3PHE HD1 50 3.999 4.186 1.990 -0.4772 -2.3089 2.1684 + 3PHE CE1 51 4.161 4.304 2.086 0.4909 -0.1698 0.1247 + 3PHE HE1 52 4.146 4.398 2.036 -0.3382 0.8898 2.2305 + 3PHE CZ 53 4.271 4.297 2.173 -0.3517 -0.1072 0.3617 + 3PHE HZ 54 4.341 4.378 2.186 1.1171 -1.5974 2.3965 + 3PHE CE2 55 4.309 4.178 2.228 1.0453 0.3013 -0.0653 + 3PHE HE2 56 4.394 4.169 2.294 0.7466 0.0990 0.2943 + 3PHE CD2 57 4.223 4.066 2.213 0.1692 -0.1223 -0.0130 + 3PHE HD2 58 4.244 3.973 2.265 1.3692 0.4305 0.5336 + 3PHE C 59 4.000 3.723 2.012 -0.3851 0.6129 0.0028 + 3PHE O 60 3.883 3.685 2.033 -0.2128 0.4413 -0.1153 + 4GLY N 61 4.103 3.634 2.026 -0.6232 -0.0912 0.2583 + 4GLY H 62 4.198 3.665 2.012 -0.5762 0.2811 1.3173 + 4GLY CA 63 4.075 3.505 2.090 -0.1190 -0.1577 -0.2315 + 4GLY HA1 64 4.161 3.440 2.074 1.7509 2.2852 -0.7103 + 4GLY HA2 65 3.987 3.461 2.043 0.3233 0.2201 -1.4624 + 4GLY C 66 4.044 3.523 2.240 -0.0724 -0.1849 -0.5125 + 4GLY O 67 4.097 3.604 2.312 -0.0220 -0.1250 -0.2432 + 5ARG N 68 3.951 3.436 2.296 -0.5117 0.0124 0.2584 + 5ARG H 69 3.913 3.366 2.234 0.3234 -0.8786 0.7031 + 5ARG CA 70 3.896 3.446 2.435 -0.0076 0.3428 0.1998 + 5ARG HA 71 3.836 3.536 2.434 3.0578 2.5382 0.2402 + 5ARG CB 72 3.816 3.313 2.457 -0.9762 -0.0353 0.3036 + 5ARG HB1 73 3.873 3.224 2.431 1.3282 1.7669 -1.1954 + 5ARG HB2 74 3.731 3.321 2.389 1.2219 1.8466 -2.4567 + 5ARG CG 75 3.748 3.295 2.594 0.5375 -0.3906 0.1333 + 5ARG HG1 76 3.696 3.387 2.622 -0.5970 -0.7511 -0.7382 + 5ARG HG2 77 3.830 3.278 2.664 -0.6968 -0.3958 1.6278 + 5ARG CD 78 3.645 3.178 2.599 -0.5659 0.3017 -0.6051 + 5ARG HD1 79 3.570 3.186 2.520 -2.2980 0.2289 0.9567 + 5ARG HD2 80 3.590 3.202 2.690 2.0873 -0.1193 1.1986 + 5ARG NE 81 3.696 3.043 2.607 -0.1558 0.1949 0.6053 + 5ARG HE 82 3.694 2.982 2.526 2.1526 0.3676 0.3665 + 5ARG CZ 83 3.775 2.979 2.689 0.4776 -0.3313 -0.6047 + 5ARG NH1 84 3.819 3.031 2.801 -0.5975 -0.3783 0.8048 + 5ARG HH11 85 3.805 3.128 2.824 2.1416 0.4885 -0.6527 + 5ARG HH12 86 3.862 2.971 2.870 1.2122 -1.0366 -0.8144 + 5ARG NH2 87 3.812 2.862 2.663 -0.3327 0.0855 0.1491 + 5ARG HH21 88 3.783 2.820 2.576 -1.5711 -1.8451 1.4340 + 5ARG HH22 89 3.899 2.836 2.707 -0.3400 1.8636 1.3273 + 5ARG C 90 4.009 3.459 2.541 0.0805 -0.1966 -0.6162 + 5ARG O 91 3.994 3.554 2.622 0.1727 0.9467 0.1688 + 6CYS N 92 4.113 3.378 2.533 -0.2673 -0.1505 -0.6524 + 6CYS H 93 4.097 3.298 2.473 -1.6702 -1.2407 1.0874 + 6CYS CA 94 4.227 3.377 2.627 -0.1154 0.6186 -0.3657 + 6CYS HA 95 4.185 3.389 2.727 0.6497 -2.0804 0.3618 + 6CYS CB 96 4.290 3.242 2.627 0.2496 0.3058 -0.3410 + 6CYS HB1 97 4.378 3.242 2.691 0.7052 -0.1559 -0.9484 + 6CYS HB2 98 4.330 3.210 2.531 0.5022 -0.7806 0.1200 + 6CYS SG 99 4.186 3.106 2.681 0.1268 -0.1905 0.4191 + 6CYS C 100 4.322 3.495 2.610 0.0558 -0.8297 0.3688 + 6CYS O 101 4.375 3.550 2.713 0.0736 0.1268 -0.8806 + 7GLU N 102 4.337 3.539 2.480 0.8054 0.2760 0.0343 + 7GLU H 103 4.272 3.505 2.412 -1.1793 2.5158 0.6838 + 7GLU CA 104 4.407 3.667 2.448 -0.2955 -0.2103 0.1047 + 7GLU HA 105 4.507 3.665 2.493 -1.2438 1.1242 2.4887 + 7GLU CB 106 4.418 3.684 2.294 0.2879 -0.3617 -1.0604 + 7GLU HB1 107 4.317 3.686 2.254 -0.3676 -1.4970 0.4303 + 7GLU HB2 108 4.456 3.588 2.258 -0.3182 -0.0940 -2.4658 + 7GLU CG 109 4.513 3.794 2.245 0.1239 0.6325 1.3190 + 7GLU HG1 110 4.614 3.765 2.274 -0.5688 -0.1141 3.1329 + 7GLU HG2 111 4.493 3.890 2.293 1.2400 0.6667 1.7442 + 7GLU CD 112 4.508 3.805 2.086 -0.3087 -0.7609 0.2409 + 7GLU OE1 113 4.426 3.751 2.013 0.3408 -0.2522 0.1414 + 7GLU OE2 114 4.596 3.884 2.046 0.5325 -0.1523 -0.1356 + 7GLU C 115 4.343 3.793 2.501 -0.0842 -0.1152 -0.3089 + 7GLU O 116 4.410 3.880 2.552 0.2560 0.3099 -0.5792 + 8LEU N 117 4.206 3.799 2.502 -0.4842 0.9370 1.0088 + 8LEU H 118 4.141 3.730 2.468 -0.4951 1.7133 -0.6283 + 8LEU CA 119 4.130 3.907 2.561 -0.3457 -1.0464 -0.9506 + 8LEU HA 120 4.191 3.995 2.543 0.3029 -0.8538 1.7579 + 8LEU CB 121 3.987 3.932 2.507 0.2131 -1.0290 -0.6749 + 8LEU HB1 122 3.923 3.849 2.538 -0.4462 -0.4486 -0.4658 + 8LEU HB2 123 3.982 3.917 2.399 -2.7382 -0.9916 -0.6131 + 8LEU CG 124 3.910 4.059 2.534 0.2536 0.8251 0.7045 + 8LEU HG 125 3.904 4.077 2.642 1.1991 1.4822 0.6563 + 8LEU CD1 126 3.990 4.173 2.471 0.0392 -0.2552 -0.0021 + 8LEU HD11 127 3.935 4.266 2.487 -1.1783 -0.8439 -0.6638 + 8LEU HD12 128 4.092 4.192 2.504 -0.7492 1.0513 1.8837 + 8LEU HD13 129 4.006 4.160 2.364 1.5671 -1.1918 0.3103 + 8LEU CD2 130 3.766 4.051 2.483 -0.7446 0.4800 -0.3842 + 8LEU HD21 131 3.719 4.143 2.516 -0.7567 0.7677 -1.1812 + 8LEU HD22 132 3.756 4.036 2.376 0.1521 2.3119 -0.7563 + 8LEU HD23 133 3.722 3.959 2.523 -1.0514 0.0283 -1.7110 + 8LEU C 134 4.124 3.901 2.713 -0.1305 0.0702 -0.0419 + 8LEU O 135 4.145 4.002 2.782 -0.1078 0.2294 0.6503 + 9ALA N 136 4.122 3.776 2.771 0.4915 0.3691 -0.0479 + 9ALA H 137 4.122 3.697 2.708 -0.6100 -1.8755 2.5777 + 9ALA CA 138 4.138 3.744 2.914 -0.5083 -0.6481 0.7085 + 9ALA HA 139 4.073 3.813 2.967 -0.5795 -0.9955 1.0751 + 9ALA CB 140 4.102 3.600 2.944 -0.1351 -0.5864 0.2960 + 9ALA HB1 141 4.113 3.588 3.051 1.0919 2.6947 0.6409 + 9ALA HB2 142 3.998 3.582 2.914 0.3806 -0.3987 -1.7408 + 9ALA HB3 143 4.173 3.536 2.892 0.3399 -0.5299 0.8725 + 9ALA C 144 4.270 3.787 2.964 -0.3183 0.0171 -0.7737 + 9ALA O 145 4.267 3.836 3.077 0.1418 0.1713 -0.0350 + 10ALA N 146 4.382 3.777 2.890 0.1211 0.7194 0.2038 + 10ALA H 147 4.370 3.735 2.799 -1.7617 -0.6375 0.9932 + 10ALA CA 148 4.513 3.826 2.935 0.2783 -0.0867 0.2808 + 10ALA HA 149 4.518 3.801 3.041 1.8937 -1.0353 0.0128 + 10ALA CB 150 4.622 3.765 2.847 -0.6449 -0.8208 0.0119 + 10ALA HB1 151 4.635 3.659 2.871 0.5495 -0.3578 1.5647 + 10ALA HB2 152 4.607 3.778 2.740 -3.2269 -0.1032 0.4014 + 10ALA HB3 153 4.715 3.817 2.871 0.1414 0.1913 -4.3958 + 10ALA C 154 4.508 3.982 2.933 -0.9593 0.2693 0.3497 + 10ALA O 155 4.557 4.050 3.025 -0.4674 -0.1526 0.5306 + 11ALA N 156 4.461 4.052 2.825 0.2571 -0.0835 0.9694 + 11ALA H 157 4.448 3.990 2.746 1.4754 -3.4026 3.1702 + 11ALA CA 158 4.445 4.198 2.809 -0.2048 0.0309 -0.1722 + 11ALA HA 159 4.538 4.254 2.795 -0.7527 0.4699 -2.4811 + 11ALA CB 160 4.382 4.224 2.665 -0.1427 0.1645 0.1783 + 11ALA HB1 161 4.408 4.326 2.639 1.7071 -0.0249 1.0561 + 11ALA HB2 162 4.433 4.167 2.587 -0.4032 2.6509 -1.9123 + 11ALA HB3 163 4.275 4.206 2.667 -0.3350 1.3156 0.7463 + 11ALA C 164 4.374 4.266 2.929 0.0629 0.1376 1.2162 + 11ALA O 165 4.433 4.337 3.007 -0.5516 -0.1764 0.0680 + 12MET N 166 4.248 4.237 2.942 -0.1899 -0.3449 0.0298 + 12MET H 167 4.214 4.176 2.869 0.9205 -1.8985 0.7553 + 12MET CA 168 4.171 4.292 3.053 -0.2593 0.2319 -0.2241 + 12MET HA 169 4.168 4.401 3.044 -0.7718 0.6136 3.0583 + 12MET CB 170 4.025 4.244 3.035 -0.6299 -0.2026 -0.8724 + 12MET HB1 171 3.967 4.277 3.121 0.3809 -1.9482 0.5412 + 12MET HB2 172 4.026 4.135 3.041 -0.7638 -0.1314 1.5309 + 12MET CG 173 3.961 4.303 2.911 -0.3498 0.1118 0.0555 + 12MET HG1 174 4.018 4.273 2.823 -1.0966 0.7310 -0.6572 + 12MET HG2 175 3.965 4.410 2.929 0.3406 -0.0408 0.8496 + 12MET SD 176 3.791 4.248 2.886 -0.4512 -0.1530 0.0686 + 12MET CE 177 3.726 4.379 2.769 -0.9146 0.4488 0.4779 + 12MET HE1 178 3.796 4.393 2.687 -1.6592 -0.6649 -0.3882 + 12MET HE2 179 3.636 4.342 2.719 -0.7276 -2.0616 1.8304 + 12MET HE3 180 3.695 4.473 2.814 -0.9025 0.2802 0.8467 + 12MET C 181 4.218 4.253 3.197 0.8810 -0.3528 -0.8162 + 12MET O 182 4.196 4.336 3.290 0.2301 -0.5931 0.4705 + 13LYS N 183 4.296 4.149 3.217 0.3423 -0.1753 0.3506 + 13LYS H 184 4.317 4.091 3.138 1.7432 0.2663 0.3701 + 13LYS CA 185 4.376 4.124 3.339 0.1276 -0.8352 -0.1254 + 13LYS HA 186 4.308 4.121 3.424 1.5267 -0.4157 1.0626 + 13LYS CB 187 4.432 3.985 3.327 -0.7464 0.3439 0.5656 + 13LYS HB1 188 4.497 4.000 3.240 0.1207 1.9288 1.4376 + 13LYS HB2 189 4.361 3.906 3.304 0.7970 -0.5196 -1.5191 + 13LYS CG 190 4.516 3.939 3.446 -0.6110 0.1957 -0.1212 + 13LYS HG1 191 4.587 4.020 3.460 -0.0603 -0.3528 0.3008 + 13LYS HG2 192 4.574 3.849 3.425 2.2371 1.2090 2.6237 + 13LYS CD 193 4.436 3.911 3.575 -0.0005 0.2470 -0.2753 + 13LYS HD1 194 4.347 3.974 3.577 0.6864 1.2403 0.8529 + 13LYS HD2 195 4.488 3.937 3.668 0.5620 -2.1055 0.1271 + 13LYS CE 196 4.402 3.757 3.585 0.3041 -0.1999 0.2889 + 13LYS HE1 197 4.497 3.702 3.582 1.0368 1.0478 -0.1351 + 13LYS HE2 198 4.338 3.728 3.501 -0.9480 -0.4272 1.2939 + 13LYS NZ 199 4.335 3.724 3.713 -0.7575 -0.2575 -0.3214 + 13LYS HZ1 200 4.309 3.627 3.721 1.8025 -0.9227 1.4027 + 13LYS HZ2 201 4.399 3.733 3.791 0.5388 -1.4271 -1.1996 + 13LYS HZ3 202 4.249 3.774 3.728 1.1140 3.2943 -0.1761 + 13LYS C 203 4.477 4.232 3.356 0.6753 0.6487 -0.1292 + 13LYS O 204 4.481 4.291 3.465 -0.0537 0.1918 -0.2781 + 14ARG N 205 4.562 4.264 3.260 0.1030 -0.5676 -0.2817 + 14ARG H 206 4.567 4.213 3.173 3.1192 -1.7315 0.4176 + 14ARG CA 207 4.670 4.359 3.275 -0.4699 -0.3077 -0.4295 + 14ARG HA 208 4.714 4.346 3.373 -0.8726 0.4838 -0.1316 + 14ARG CB 209 4.788 4.330 3.176 0.7956 0.1099 -0.6826 + 14ARG HB1 210 4.812 4.224 3.182 -1.3755 -0.3704 1.0622 + 14ARG HB2 211 4.873 4.383 3.219 0.6667 1.5492 -2.0980 + 14ARG CG 212 4.759 4.369 3.030 0.7445 0.1363 -0.4097 + 14ARG HG1 213 4.738 4.476 3.023 -0.6101 -0.0349 0.6611 + 14ARG HG2 214 4.676 4.309 2.992 0.6540 0.5936 -0.9417 + 14ARG CD 215 4.878 4.335 2.940 0.2727 0.3762 -0.2308 + 14ARG HD1 216 4.972 4.349 2.994 -1.5571 -0.2722 3.4632 + 14ARG HD2 217 4.879 4.394 2.849 0.2280 0.1744 -0.3630 + 14ARG NE 218 4.864 4.197 2.898 -0.6478 -0.6853 -0.3681 + 14ARG HE 219 4.890 4.119 2.957 0.3790 0.0724 0.2258 + 14ARG CZ 220 4.839 4.151 2.779 0.3705 0.1595 0.3517 + 14ARG NH1 221 4.819 4.225 2.678 -0.2596 0.6628 0.4422 + 14ARG HH11 222 4.815 4.326 2.684 -1.4686 0.6151 0.6660 + 14ARG HH12 223 4.779 4.185 2.595 -0.8488 1.6442 0.2379 + 14ARG NH2 224 4.824 4.023 2.765 0.1118 -0.5469 0.2345 + 14ARG HH21 225 4.853 3.960 2.839 -3.6005 -0.8516 1.6218 + 14ARG HH22 226 4.812 3.981 2.674 -0.0821 -2.3168 1.0375 + 14ARG C 227 4.621 4.504 3.270 -0.6705 -0.1294 -0.3970 + 14ARG O 228 4.686 4.593 3.320 -0.0714 -0.1131 -0.1899 + 15HIS N 229 4.504 4.528 3.207 -0.5486 -0.5406 0.0210 + 15HIS H 230 4.472 4.453 3.148 -1.6746 0.5473 -0.7861 + 15HIS CA 231 4.435 4.658 3.219 -0.1357 -0.5458 0.0499 + 15HIS HA 232 4.514 4.733 3.228 0.2628 -1.0855 1.2946 + 15HIS CB 233 4.359 4.689 3.086 0.4671 -0.1399 -0.7716 + 15HIS HB1 234 4.293 4.775 3.087 0.4154 -0.0956 -3.0474 + 15HIS HB2 235 4.299 4.604 3.053 -1.2296 -0.3607 2.5502 + 15HIS CG 236 4.464 4.724 2.978 0.6687 -0.1625 0.2012 + 15HIS ND1 237 4.536 4.632 2.900 -0.1879 0.0496 -0.3559 + 15HIS CE1 238 4.619 4.702 2.822 0.1621 0.3229 0.5425 + 15HIS HE1 239 4.686 4.661 2.747 0.0418 0.2891 0.4530 + 15HIS NE2 240 4.619 4.836 2.854 0.1836 0.2974 -0.7177 + 15HIS HE2 241 4.671 4.908 2.807 -0.5851 0.2246 -1.7000 + 15HIS CD2 242 4.519 4.849 2.953 0.5397 -0.0467 0.1432 + 15HIS HD2 243 4.485 4.942 2.997 -0.0794 -0.5874 0.8306 + 15HIS C 244 4.344 4.667 3.341 -0.5994 0.1233 -0.6005 + 15HIS O 245 4.270 4.765 3.361 -0.3801 0.5417 0.2739 + 16GLY N 246 4.348 4.563 3.425 -0.2722 -0.5374 -0.3628 + 16GLY H 247 4.397 4.481 3.392 -0.7164 -0.6864 -0.6529 + 16GLY CA 248 4.308 4.561 3.564 -0.2668 0.5013 -0.1359 + 16GLY HA1 249 4.339 4.657 3.606 1.3817 0.2437 -0.6864 + 16GLY HA2 250 4.366 4.480 3.609 0.1077 1.1105 0.5022 + 16GLY C 251 4.160 4.557 3.589 -0.4360 0.2719 -0.0915 + 16GLY O 252 4.106 4.600 3.689 -0.1472 -0.6043 -0.1919 + 17LEU N 253 4.079 4.495 3.504 0.0707 -0.1097 0.1215 + 17LEU H 254 4.128 4.460 3.423 0.6145 0.3670 0.2405 + 17LEU CA 255 3.937 4.480 3.514 -1.2967 -0.0367 -0.7798 + 17LEU HA 256 3.895 4.572 3.555 -3.2899 -1.1417 -0.2015 + 17LEU CB 257 3.873 4.459 3.381 0.6244 -0.5517 0.8623 + 17LEU HB1 258 3.778 4.406 3.389 1.0545 -1.2976 1.0351 + 17LEU HB2 259 3.924 4.378 3.330 1.6139 1.2079 -1.1153 + 17LEU CG 260 3.852 4.587 3.294 0.1243 0.0205 0.1508 + 17LEU HG 261 3.940 4.651 3.301 -1.6814 2.5124 2.3061 + 17LEU CD1 262 3.794 4.547 3.155 0.2000 -0.8964 -0.3424 + 17LEU HD11 263 3.753 4.632 3.101 -0.1210 0.4417 1.8758 + 17LEU HD12 264 3.872 4.503 3.093 -0.3958 -1.8241 -0.4617 + 17LEU HD13 265 3.711 4.477 3.168 -1.3484 0.6985 -1.0788 + 17LEU CD2 266 3.741 4.673 3.361 -0.2710 0.2228 -0.1542 + 17LEU HD21 267 3.718 4.760 3.300 -0.7944 0.9822 1.0739 + 17LEU HD22 268 3.649 4.616 3.370 -1.1422 1.5129 -0.5900 + 17LEU HD23 269 3.773 4.720 3.454 0.9684 -0.9372 0.0454 + 17LEU C 270 3.898 4.367 3.608 -0.5813 0.3114 0.3916 + 17LEU O 271 3.790 4.382 3.663 -0.0737 -0.1724 0.0302 + 18ASP N 272 3.980 4.266 3.637 -0.3532 0.4500 -0.1778 + 18ASP H 273 4.068 4.263 3.587 0.1412 1.9530 0.5217 + 18ASP CA 274 3.954 4.159 3.727 -0.5768 0.4565 -0.0595 + 18ASP HA 275 3.867 4.103 3.691 -2.1709 1.9287 1.3069 + 18ASP CB 276 4.067 4.055 3.721 0.6762 0.1357 -0.7467 + 18ASP HB1 277 4.158 4.101 3.760 -0.1550 0.6012 0.6842 + 18ASP HB2 278 4.085 4.027 3.617 -0.7935 1.8035 -1.5119 + 18ASP CG 279 4.030 3.929 3.796 -0.5483 -0.2855 -0.2175 + 18ASP OD1 280 3.914 3.901 3.823 0.3561 -0.0345 0.8441 + 18ASP OD2 281 4.133 3.860 3.835 -0.6145 0.0439 -0.3258 + 18ASP C 282 3.924 4.212 3.871 0.3306 0.0790 0.2459 + 18ASP O 283 4.011 4.269 3.934 -0.4365 -0.6690 0.3329 + 19ASN N 284 3.796 4.194 3.904 0.3573 -0.2333 -0.9431 + 19ASN H 285 3.729 4.168 3.833 0.3774 -0.5561 -0.8448 + 19ASN CA 286 3.733 4.254 4.028 0.5688 0.0067 0.2073 + 19ASN HA 287 3.627 4.229 4.030 0.3846 0.7366 -0.0948 + 19ASN CB 288 3.808 4.194 4.147 -0.4118 0.0898 -0.2751 + 19ASN HB1 289 3.908 4.235 4.155 -0.9572 1.3174 0.4974 + 19ASN HB2 290 3.817 4.086 4.131 2.0790 0.1528 0.3745 + 19ASN CG 291 3.747 4.227 4.286 0.0800 0.0342 -0.4401 + 19ASN OD1 292 3.637 4.181 4.316 -0.3102 -0.1085 -0.1585 + 19ASN ND2 293 3.811 4.313 4.369 0.4154 0.0534 -0.0607 + 19ASN HD21 294 3.893 4.353 4.326 0.2437 -1.9902 -2.4910 + 19ASN HD22 295 3.761 4.351 4.449 -0.7788 -1.1170 -0.1957 + 19ASN C 296 3.729 4.409 4.024 0.9854 0.1372 -0.3903 + 19ASN O 297 3.707 4.466 4.129 0.2724 0.2818 0.5856 + 20TYR N 298 3.717 4.474 3.910 -0.2607 -0.4279 0.2819 + 20TYR H 299 3.703 4.420 3.826 -0.3963 1.0595 -0.6698 + 20TYR CA 300 3.696 4.620 3.904 0.7089 -0.1958 0.5699 + 20TYR HA 301 3.759 4.668 3.979 -1.1813 -1.1812 2.8990 + 20TYR CB 302 3.728 4.674 3.762 0.5606 -0.0308 -0.9741 + 20TYR HB1 303 3.646 4.646 3.696 -1.8398 2.0143 0.9504 + 20TYR HB2 304 3.823 4.626 3.735 0.0689 -0.5877 -1.7563 + 20TYR CG 305 3.751 4.821 3.774 -0.4317 0.6209 -0.5157 + 20TYR CD1 306 3.870 4.877 3.824 -0.3868 -0.2451 -0.5744 + 20TYR HD1 307 3.953 4.813 3.847 1.1295 2.1298 1.1070 + 20TYR CE1 308 3.876 5.011 3.862 0.6700 0.0952 0.1689 + 20TYR HE1 309 3.960 5.054 3.914 -1.4527 2.8026 1.6029 + 20TYR CZ 310 3.771 5.093 3.825 -0.4408 -1.1269 0.3823 + 20TYR OH 311 3.790 5.223 3.850 0.2248 0.1668 0.1932 + 20TYR HH 312 3.734 5.292 3.813 0.1957 0.0713 0.0564 + 20TYR CE2 313 3.656 5.050 3.765 -0.1342 0.4183 -0.5250 + 20TYR HE2 314 3.579 5.116 3.729 -0.2548 0.7693 0.3757 + 20TYR CD2 315 3.649 4.907 3.734 -0.4148 0.2791 0.1476 + 20TYR HD2 316 3.555 4.869 3.696 0.2061 0.1371 -1.3272 + 20TYR C 317 3.544 4.648 3.936 -0.0085 -0.5473 -0.4155 + 20TYR O 318 3.452 4.585 3.877 -0.6402 -0.8255 -0.2718 + 21ARG N 319 3.515 4.720 4.042 -0.7924 -0.5109 -0.5195 + 21ARG H 320 3.596 4.776 4.067 -2.1695 1.3490 -0.0203 + 21ARG CA 321 3.388 4.742 4.112 -0.2824 0.5335 -0.8523 + 21ARG HA 322 3.412 4.782 4.211 0.4266 -3.2264 0.6860 + 21ARG CB 323 3.293 4.840 4.043 0.0744 -0.3250 0.0196 + 21ARG HB1 324 3.208 4.848 4.111 0.0725 -0.7298 0.0681 + 21ARG HB2 325 3.247 4.795 3.956 -0.9665 1.5585 -0.4674 + 21ARG CG 326 3.354 4.974 4.001 0.6250 0.1404 0.1100 + 21ARG HG1 327 3.292 5.025 3.928 -0.3654 -0.1717 0.7083 + 21ARG HG2 328 3.438 4.949 3.937 0.1500 1.2072 -0.9590 + 21ARG CD 329 3.391 5.076 4.111 0.2298 0.0634 0.9203 + 21ARG HD1 330 3.335 5.062 4.204 0.5019 -0.8767 0.9471 + 21ARG HD2 331 3.351 5.168 4.070 -1.4156 -0.3161 1.5933 + 21ARG NE 332 3.531 5.099 4.145 -0.2749 -0.2079 0.2072 + 21ARG HE 333 3.573 5.026 4.201 0.4463 -0.1187 -0.2018 + 21ARG CZ 334 3.593 5.212 4.140 -0.3046 0.8659 0.1524 + 21ARG NH1 335 3.710 5.210 4.202 0.1305 0.6121 0.1101 + 21ARG HH11 336 3.742 5.117 4.227 0.5406 0.1812 -1.8282 + 21ARG HH12 337 3.770 5.287 4.177 -0.9877 1.5947 0.4057 + 21ARG NH2 338 3.547 5.327 4.091 0.9263 -0.2853 0.4486 + 21ARG HH21 339 3.467 5.320 4.029 0.2616 0.3408 1.2152 + 21ARG HH22 340 3.595 5.415 4.102 0.4015 0.0174 0.3628 + 21ARG C 341 3.330 4.609 4.158 -0.8292 0.5002 -0.0321 + 21ARG O 342 3.211 4.599 4.151 0.3474 -0.2295 0.2524 + 22GLY N 343 3.407 4.497 4.182 0.3524 0.0891 -0.4336 + 22GLY H 344 3.508 4.507 4.177 0.2177 3.2106 1.0545 + 22GLY CA 345 3.356 4.371 4.227 1.3255 0.8258 0.3374 + 22GLY HA1 346 3.259 4.377 4.277 0.5490 -1.6091 -0.7152 + 22GLY HA2 347 3.428 4.331 4.299 -0.6997 -0.9303 1.4831 + 22GLY C 348 3.330 4.279 4.114 0.1032 0.4766 0.1363 + 22GLY O 349 3.275 4.172 4.140 0.4172 0.0155 0.1547 + 23TYR N 350 3.353 4.317 3.985 0.4865 0.3443 -1.1180 + 23TYR H 351 3.397 4.405 3.965 1.8754 -0.0787 -0.1309 + 23TYR CA 352 3.312 4.231 3.873 0.6550 -0.4704 -0.2949 + 23TYR HA 353 3.239 4.161 3.913 0.3662 0.0027 0.0231 + 23TYR CB 354 3.258 4.306 3.752 -0.3415 0.4564 -0.7372 + 23TYR HB1 355 3.242 4.232 3.674 -1.8003 0.5341 -0.5398 + 23TYR HB2 356 3.325 4.384 3.715 -1.2665 1.2022 -0.8751 + 23TYR CG 357 3.128 4.371 3.785 -0.0046 -0.3637 0.0528 + 23TYR CD1 358 3.013 4.289 3.776 0.6411 0.1612 0.3181 + 23TYR HD1 359 3.018 4.195 3.723 0.3609 -0.1988 0.9301 + 23TYR CE1 360 2.887 4.351 3.805 0.3527 0.4669 -0.3304 + 23TYR HE1 361 2.796 4.295 3.786 0.9687 -1.3409 1.6457 + 23TYR CZ 362 2.876 4.469 3.881 0.1993 -0.5889 0.1300 + 23TYR OH 363 2.760 4.521 3.920 0.2301 -0.1121 0.2156 + 23TYR HH 364 2.778 4.597 3.975 -1.6957 -0.5568 1.5966 + 23TYR CE2 365 2.997 4.541 3.903 0.1682 -0.0050 0.0700 + 23TYR HE2 366 2.996 4.637 3.953 -1.1704 0.2692 -0.4236 + 23TYR CD2 367 3.113 4.500 3.841 0.1608 0.6439 -0.0845 + 23TYR HD2 368 3.198 4.565 3.854 -0.4480 1.5750 -0.5622 + 23TYR C 369 3.435 4.151 3.832 0.2334 0.6327 -0.6193 + 23TYR O 370 3.544 4.204 3.797 0.2985 -0.2944 0.1101 + 24SER N 371 3.421 4.017 3.850 0.0262 -0.0752 0.2211 + 24SER H 372 3.330 3.991 3.883 -0.5303 0.1487 -1.0929 + 24SER CA 373 3.530 3.926 3.815 0.0800 -0.3474 -0.9899 + 24SER HA 374 3.620 3.972 3.856 -1.3264 1.4776 0.1885 + 24SER CB 375 3.517 3.782 3.877 0.0175 0.3372 -0.3860 + 24SER HB1 376 3.472 3.791 3.976 0.7539 -1.4851 0.1516 + 24SER HB2 377 3.614 3.735 3.866 -0.0323 0.0136 0.4542 + 24SER OG 378 3.411 3.730 3.803 -0.6054 0.5209 0.4611 + 24SER HG 379 3.365 3.654 3.839 -0.1807 -1.1030 -2.1405 + 24SER C 380 3.561 3.926 3.664 -0.4585 0.3032 -0.7782 + 24SER O 381 3.473 3.956 3.587 0.4410 0.0733 -0.1612 + 25LEU N 382 3.686 3.889 3.626 0.4527 0.2832 0.7494 + 25LEU H 383 3.747 3.856 3.698 1.0807 1.8048 0.9558 + 25LEU CA 384 3.732 3.889 3.489 -0.1375 -0.1409 0.2273 + 25LEU HA 385 3.728 3.991 3.451 -3.2963 -0.4762 -0.5671 + 25LEU CB 386 3.875 3.838 3.483 -0.2467 -0.2217 0.6694 + 25LEU HB1 387 3.875 3.734 3.514 1.2669 0.2020 2.2901 + 25LEU HB2 388 3.935 3.896 3.554 -0.4736 2.5959 -1.2763 + 25LEU CG 389 3.938 3.837 3.344 -0.6798 -0.1798 0.4497 + 25LEU HG 390 3.868 3.789 3.276 -2.3127 -0.7375 2.4219 + 25LEU CD1 391 3.962 3.979 3.293 0.4719 -0.1129 0.2498 + 25LEU HD11 392 3.870 4.037 3.304 1.0729 0.7901 0.6918 + 25LEU HD12 393 4.044 4.034 3.340 0.7766 -0.9758 0.7504 + 25LEU HD13 394 3.998 3.969 3.191 -0.8227 -1.8345 -0.0823 + 25LEU CD2 395 4.076 3.765 3.359 0.4762 0.0447 -0.0372 + 25LEU HD21 396 4.104 3.730 3.260 2.0054 1.9134 -0.3185 + 25LEU HD22 397 4.148 3.839 3.395 0.4765 1.4288 -2.6358 + 25LEU HD23 398 4.059 3.682 3.428 0.1899 -0.2274 -0.4322 + 25LEU C 399 3.640 3.814 3.389 0.1153 0.0834 0.8955 + 25LEU O 400 3.614 3.866 3.282 0.2354 -0.2714 0.5158 + 26GLY N 401 3.584 3.693 3.421 -0.1158 -0.2198 0.6958 + 26GLY H 402 3.594 3.655 3.514 0.5119 0.3400 0.8653 + 26GLY CA 403 3.482 3.633 3.335 -0.0126 1.4359 -0.2516 + 26GLY HA1 404 3.454 3.539 3.384 2.3453 1.0257 0.4614 + 26GLY HA2 405 3.532 3.606 3.242 -1.4221 -1.6061 -0.2388 + 26GLY C 406 3.358 3.705 3.299 0.1822 -0.0815 0.2335 + 26GLY O 407 3.298 3.678 3.193 0.2117 0.0447 0.3318 + 27ASN N 408 3.319 3.809 3.379 0.1567 0.5144 -0.2862 + 27ASN H 409 3.375 3.839 3.457 2.2612 0.7443 -1.8291 + 27ASN CA 410 3.213 3.903 3.329 -0.2952 0.1443 0.0947 + 27ASN HA 411 3.134 3.834 3.297 2.2177 -3.3649 0.8382 + 27ASN CB 412 3.173 4.004 3.436 0.7370 -0.2057 -0.0584 + 27ASN HB1 413 3.098 4.068 3.389 0.0366 -1.2129 -0.3416 + 27ASN HB2 414 3.254 4.073 3.459 2.5482 -1.6912 -1.6585 + 27ASN CG 415 3.114 3.947 3.559 0.6183 0.6453 0.1895 + 27ASN OD1 416 2.989 3.943 3.569 -0.0889 0.0995 0.7724 + 27ASN ND2 417 3.196 3.903 3.656 0.1426 0.3458 0.2683 + 27ASN HD21 418 3.293 3.902 3.627 -0.3174 -0.8910 -1.3857 + 27ASN HD22 419 3.165 3.852 3.737 0.2021 2.5253 1.7428 + 27ASN C 420 3.258 3.981 3.205 0.5105 0.8410 -0.6354 + 27ASN O 421 3.172 4.011 3.120 -0.2615 -0.7740 0.2028 + 28TRP N 422 3.380 4.030 3.208 0.0028 -0.0439 0.2922 + 28TRP H 423 3.436 3.999 3.286 -1.5138 -1.6633 0.8104 + 28TRP CA 424 3.428 4.125 3.113 0.2293 0.1924 -0.2769 + 28TRP HA 425 3.345 4.194 3.095 -0.2907 -0.2615 0.3116 + 28TRP CB 426 3.544 4.197 3.174 -0.0891 -1.0093 -1.0404 + 28TRP HB1 427 3.577 4.268 3.099 1.5598 -0.6834 -0.0620 + 28TRP HB2 428 3.623 4.124 3.194 1.5563 0.6019 -1.3897 + 28TRP CG 429 3.515 4.278 3.289 -0.5565 -0.5158 -0.0094 + 28TRP CD1 430 3.539 4.244 3.422 0.3208 -0.5536 0.4099 + 28TRP HD1 431 3.590 4.155 3.455 1.0442 -0.4957 -0.5002 + 28TRP NE1 432 3.500 4.349 3.501 0.5422 -0.4712 0.0296 + 28TRP HE1 433 3.518 4.341 3.600 -0.6162 -4.3089 0.0864 + 28TRP CE2 434 3.434 4.451 3.427 0.0156 0.1187 -0.4112 + 28TRP CZ2 435 3.382 4.577 3.460 -0.2253 0.4266 -0.4326 + 28TRP HZ2 436 3.385 4.614 3.562 1.0993 1.3069 -0.7649 + 28TRP CH2 437 3.325 4.655 3.357 0.1960 -0.4987 -0.5385 + 28TRP HH2 438 3.278 4.750 3.376 0.2800 -0.1527 -1.9697 + 28TRP CZ3 439 3.332 4.610 3.224 -0.0987 0.4584 -0.3103 + 28TRP HZ3 440 3.272 4.663 3.153 1.1969 2.9862 0.3392 + 28TRP CE3 441 3.391 4.484 3.192 -0.1475 0.3293 -0.1734 + 28TRP HE3 442 3.405 4.460 3.087 1.0007 1.1238 -0.2191 + 28TRP CD2 443 3.448 4.405 3.291 0.0828 0.5130 0.5067 + 28TRP C 444 3.460 4.065 2.977 0.0430 -0.4876 0.6783 + 28TRP O 445 3.416 4.123 2.877 -0.4611 -0.6001 0.3348 + 29VAL N 446 3.503 3.938 2.972 0.9046 -0.1910 0.2382 + 29VAL H 447 3.526 3.901 3.064 -1.3855 -1.4780 0.3654 + 29VAL CA 448 3.493 3.847 2.859 -0.4169 -0.3957 0.0823 + 29VAL HA 449 3.550 3.893 2.779 -0.9352 -0.7167 -0.4833 + 29VAL CB 450 3.561 3.712 2.905 -0.1126 0.6288 -0.8835 + 29VAL HB 451 3.496 3.656 2.974 0.2799 1.9074 0.5911 + 29VAL CG1 452 3.583 3.622 2.778 -0.0614 -0.7296 -0.4023 + 29VAL HG11 453 3.621 3.523 2.805 0.9770 -0.6347 -1.4237 + 29VAL HG12 454 3.493 3.608 2.719 0.9404 -2.8027 -1.5471 + 29VAL HG13 455 3.643 3.671 2.702 -0.3908 -3.1246 -2.3245 + 29VAL CG2 456 3.695 3.731 2.985 -0.3453 -0.3438 0.7165 + 29VAL HG21 457 3.676 3.809 3.060 -1.9460 0.6695 -0.6594 + 29VAL HG22 458 3.726 3.643 3.040 2.6916 0.0492 -0.1837 + 29VAL HG23 459 3.766 3.764 2.910 -0.4580 -3.1542 -0.7394 + 29VAL C 460 3.348 3.822 2.819 0.4910 -0.1719 -0.4206 + 29VAL O 461 3.310 3.836 2.700 0.2280 -0.1385 -0.3469 + 30CYS N 462 3.257 3.775 2.904 0.6221 -0.4007 -0.3862 + 30CYS H 463 3.283 3.768 3.001 -0.0358 -0.4663 -0.2049 + 30CYS CA 464 3.122 3.729 2.862 -0.4593 0.7163 -0.4916 + 30CYS HA 465 3.132 3.652 2.786 0.8868 -0.7758 1.0918 + 30CYS CB 466 3.053 3.677 2.994 0.0380 -0.2738 -0.2345 + 30CYS HB1 467 3.056 3.749 3.075 3.2114 -1.8557 1.2248 + 30CYS HB2 468 3.100 3.588 3.035 -0.1973 -0.1111 0.3946 + 30CYS SG 469 2.873 3.638 2.953 -0.0781 0.0542 0.1263 + 30CYS C 470 3.049 3.847 2.791 -0.4805 -1.2689 -0.1695 + 30CYS O 471 2.975 3.835 2.691 0.0615 0.3814 0.7021 + 31ALA N 472 3.077 3.966 2.839 -0.5044 -0.0175 -0.3499 + 31ALA H 473 3.120 3.972 2.930 0.0467 -0.8849 -0.5494 + 31ALA CA 474 3.018 4.090 2.796 0.3412 0.5674 -0.1759 + 31ALA HA 475 2.913 4.065 2.780 0.5671 -0.9152 0.4697 + 31ALA CB 476 3.029 4.192 2.904 0.3575 -0.0471 -0.1177 + 31ALA HB1 477 2.992 4.287 2.866 -1.5196 0.4522 2.6777 + 31ALA HB2 478 2.978 4.161 2.995 0.9404 0.7218 0.4820 + 31ALA HB3 479 3.134 4.208 2.928 0.2430 1.5036 -0.5441 + 31ALA C 480 3.077 4.138 2.662 0.0088 0.2330 0.1574 + 31ALA O 481 2.993 4.158 2.567 -0.3626 0.4157 -0.1088 + 32ALA N 482 3.210 4.133 2.642 -0.0204 0.0626 0.2173 + 32ALA H 483 3.270 4.110 2.720 -0.5886 0.7451 0.8652 + 32ALA CA 484 3.274 4.144 2.511 -0.3959 0.0121 0.6705 + 32ALA HA 485 3.267 4.243 2.466 -1.0198 -0.6750 -0.8126 + 32ALA CB 486 3.427 4.117 2.522 -0.3199 0.3045 -0.3296 + 32ALA HB1 487 3.481 4.110 2.428 2.9827 2.0205 1.2828 + 32ALA HB2 488 3.480 4.196 2.575 0.3338 0.7127 -1.5610 + 32ALA HB3 489 3.438 4.025 2.579 -2.6314 0.1265 -0.0402 + 32ALA C 490 3.218 4.038 2.411 -0.1861 -0.3381 0.4690 + 32ALA O 491 3.197 4.066 2.293 -0.9318 -1.1267 -0.2515 + 33LYS N 492 3.203 3.917 2.459 0.0746 -0.0613 -0.1033 + 33LYS H 493 3.228 3.898 2.555 2.5462 1.0588 -0.4336 + 33LYS CA 494 3.151 3.817 2.368 -0.1657 0.3115 0.8785 + 33LYS HA 495 3.221 3.808 2.285 -1.2594 1.5661 -0.2367 + 33LYS CB 496 3.152 3.679 2.433 0.9108 -0.2842 0.3346 + 33LYS HB1 497 3.084 3.678 2.518 -0.9006 -1.9127 -1.0318 + 33LYS HB2 498 3.252 3.648 2.461 1.0694 -0.2828 -0.2152 + 33LYS CG 499 3.096 3.570 2.342 0.3623 0.1011 -0.6409 + 33LYS HG1 500 2.994 3.598 2.317 -0.2669 -0.8794 0.6847 + 33LYS HG2 501 3.100 3.479 2.401 2.3384 1.5336 1.6529 + 33LYS CD 502 3.173 3.537 2.214 -0.2914 -0.4941 -0.4303 + 33LYS HD1 503 3.272 3.506 2.247 -0.0711 1.1706 0.6156 + 33LYS HD2 504 3.175 3.625 2.149 -0.7925 1.7509 2.3743 + 33LYS CE 505 3.098 3.418 2.146 -0.2770 -0.0916 0.7186 + 33LYS HE1 506 2.991 3.436 2.135 0.1867 2.5497 -0.3142 + 33LYS HE2 507 3.099 3.337 2.219 -0.6665 0.1731 1.0256 + 33LYS NZ 508 3.155 3.379 2.017 -0.3059 0.3297 0.3159 + 33LYS HZ1 509 3.084 3.344 1.954 -0.4331 0.6291 0.2954 + 33LYS HZ2 510 3.180 3.458 1.959 -1.8851 0.4236 -0.2998 + 33LYS HZ3 511 3.230 3.311 2.011 -2.6481 -2.4022 -0.2247 + 33LYS C 512 3.015 3.847 2.311 0.7612 -0.0226 -0.0871 + 33LYS O 513 3.001 3.831 2.190 0.0181 -0.2089 0.4284 + 34PHE N 514 2.915 3.883 2.390 0.5186 0.1161 -0.3593 + 34PHE H 515 2.934 3.878 2.489 -2.6008 -0.8526 0.3004 + 34PHE CA 516 2.778 3.894 2.338 0.5230 0.5607 -0.3153 + 34PHE HA 517 2.765 3.826 2.254 -0.5090 -1.1098 1.1320 + 34PHE CB 518 2.683 3.851 2.451 0.2330 -0.0899 0.1716 + 34PHE HB1 519 2.585 3.884 2.417 -0.3238 -2.2910 -0.4974 + 34PHE HB2 520 2.707 3.903 2.544 -1.0049 1.1625 -0.1706 + 34PHE CG 521 2.694 3.702 2.468 -0.0003 0.2518 0.1571 + 34PHE CD1 522 2.681 3.613 2.362 -0.1060 0.4090 -0.0302 + 34PHE HD1 523 2.687 3.636 2.257 2.8284 -2.2588 -0.5935 + 34PHE CE1 524 2.689 3.472 2.383 0.4209 0.1337 -0.2296 + 34PHE HE1 525 2.705 3.406 2.300 1.6566 0.9266 -0.6487 + 34PHE CZ 526 2.694 3.426 2.515 0.4193 0.6054 -0.2844 + 34PHE HZ 527 2.681 3.322 2.540 -0.7307 0.6483 -0.6462 + 34PHE CE2 528 2.704 3.514 2.623 -0.9465 -0.0609 0.2792 + 34PHE HE2 529 2.719 3.479 2.724 1.3695 -1.3328 -0.4303 + 34PHE CD2 530 2.704 3.649 2.595 0.3615 -0.7578 -0.4473 + 34PHE HD2 531 2.705 3.721 2.675 0.7852 -0.7569 -0.4510 + 34PHE C 532 2.748 4.030 2.283 -0.7117 -1.1709 -0.3379 + 34PHE O 533 2.678 4.032 2.186 0.3793 0.5259 -0.2078 + 35GLU N 534 2.812 4.142 2.334 0.4446 -0.0028 0.7593 + 35GLU H 535 2.862 4.129 2.421 0.4923 -2.1529 0.4611 + 35GLU CA 536 2.804 4.273 2.275 0.3347 0.5379 0.1963 + 35GLU HA 537 2.700 4.294 2.251 -0.1641 -0.6455 1.2313 + 35GLU CB 538 2.855 4.380 2.375 -0.1087 -0.4646 0.0152 + 35GLU HB1 539 2.878 4.471 2.319 0.6026 -0.4103 0.3842 + 35GLU HB2 540 2.953 4.353 2.414 1.2526 1.7319 -1.6564 + 35GLU CG 541 2.762 4.413 2.492 0.1116 0.4429 -0.1685 + 35GLU HG1 542 2.813 4.493 2.547 2.2216 0.0706 -1.4903 + 35GLU HG2 543 2.753 4.328 2.560 0.5451 1.7834 1.6792 + 35GLU CD 544 2.619 4.462 2.463 -0.8689 0.5088 -0.6557 + 35GLU OE1 545 2.575 4.468 2.343 -0.4197 0.3724 -0.3775 + 35GLU OE2 546 2.545 4.502 2.558 -0.3073 -0.6132 -0.3883 + 35GLU C 547 2.875 4.283 2.141 -0.2016 -0.1897 -0.0080 + 35GLU O 548 2.810 4.336 2.051 -0.9194 0.2475 0.2796 + 36SER N 549 3.000 4.246 2.123 0.4341 -0.4537 0.1655 + 36SER H 550 3.045 4.200 2.200 -1.6377 -0.5931 1.3752 + 36SER CA 551 3.068 4.258 1.992 -0.8838 0.0027 -0.2538 + 36SER HA 552 3.005 4.310 1.920 0.9099 -0.8371 -2.5691 + 36SER CB 553 3.177 4.356 2.010 -0.8873 -0.3262 -0.0184 + 36SER HB1 554 3.142 4.450 2.052 0.4354 0.3344 -0.3241 + 36SER HB2 555 3.233 4.377 1.918 1.7496 0.8727 1.7230 + 36SER OG 556 3.276 4.295 2.090 0.5294 -0.1364 -0.1776 + 36SER HG 557 3.233 4.279 2.174 0.0482 -0.1374 -0.4164 + 36SER C 558 3.119 4.131 1.919 -0.2147 -0.8704 0.1309 + 36SER O 559 3.173 4.131 1.810 -0.0955 0.0356 -0.6278 + 37ASN N 560 3.114 4.018 1.987 0.5260 0.5983 -0.0628 + 37ASN H 561 3.080 4.025 2.082 0.8667 1.2969 0.0128 + 37ASN CA 562 3.179 3.889 1.943 -0.2977 0.1451 0.1058 + 37ASN HA 563 3.162 3.820 2.025 1.6761 1.9633 2.1910 + 37ASN CB 564 3.111 3.829 1.822 0.1638 0.5542 -1.0748 + 37ASN HB1 565 3.139 3.891 1.736 0.5825 0.3321 -1.1006 + 37ASN HB2 566 3.004 3.843 1.838 0.2210 0.6540 -0.7717 + 37ASN CG 567 3.141 3.679 1.799 0.6308 1.0326 0.1682 + 37ASN OD1 568 3.202 3.607 1.872 -0.5523 -0.3185 -0.1886 + 37ASN ND2 569 3.085 3.625 1.691 -0.4060 0.1354 0.0350 + 37ASN HD21 570 3.017 3.677 1.638 -1.9270 -1.2857 0.5036 + 37ASN HD22 571 3.118 3.532 1.670 -2.0868 -0.0828 -1.9889 + 37ASN C 572 3.331 3.907 1.935 -0.1326 -0.1682 0.2826 + 37ASN O 573 3.397 3.841 1.852 0.0342 -0.3811 -0.1343 + 38PHE N 574 3.386 3.974 2.032 -0.0581 0.1784 0.5060 + 38PHE H 575 3.323 4.016 2.100 -1.8641 -0.0170 -0.9590 + 38PHE CA 576 3.533 4.001 2.047 -0.3261 0.3892 -0.6459 + 38PHE HA 577 3.540 4.062 2.137 1.1441 -0.6376 -0.0192 + 38PHE CB 578 3.609 3.866 2.068 -0.4900 0.2901 -0.0692 + 38PHE HB1 579 3.711 3.892 2.098 -0.5435 -0.8672 1.2001 + 38PHE HB2 580 3.610 3.794 1.986 0.4677 0.5624 -0.3188 + 38PHE CG 581 3.581 3.785 2.186 0.4798 -1.2197 -0.2810 + 38PHE CD1 582 3.555 3.854 2.305 -0.1903 0.6966 -0.0895 + 38PHE HD1 583 3.543 3.961 2.309 -1.6820 0.5298 0.7199 + 38PHE CE1 584 3.525 3.772 2.424 -0.3668 -0.1921 0.6518 + 38PHE HE1 585 3.490 3.824 2.512 0.3473 -0.1293 0.9104 + 38PHE CZ 586 3.526 3.634 2.417 0.1779 -0.7851 0.1348 + 38PHE HZ 587 3.497 3.571 2.499 2.6149 -2.1790 0.0171 + 38PHE CE2 588 3.554 3.569 2.293 -0.6432 -0.3827 0.0230 + 38PHE HE2 589 3.564 3.462 2.284 2.9449 -0.6546 4.1281 + 38PHE CD2 590 3.582 3.642 2.179 0.0974 -0.3092 0.2073 + 38PHE HD2 591 3.591 3.595 2.082 -1.3605 -0.7210 0.2504 + 38PHE C 592 3.602 4.096 1.944 -0.2618 0.0605 -0.0914 + 38PHE O 593 3.727 4.091 1.923 -0.2381 0.5463 -0.2434 + 39ASN N 594 3.518 4.179 1.879 -0.0212 0.4573 0.4472 + 39ASN H 595 3.419 4.165 1.894 -1.0275 4.5325 -1.0816 + 39ASN CA 596 3.560 4.261 1.769 -0.2264 0.1838 0.4536 + 39ASN HA 597 3.658 4.230 1.733 0.8359 3.6767 -0.0263 + 39ASN CB 598 3.462 4.240 1.650 0.6221 0.0399 0.0498 + 39ASN HB1 599 3.362 4.273 1.678 0.7987 -2.0087 3.6053 + 39ASN HB2 600 3.458 4.132 1.637 -1.7550 0.0300 0.4090 + 39ASN CG 601 3.501 4.299 1.511 -0.1261 0.0307 -0.5323 + 39ASN OD1 602 3.594 4.375 1.499 0.2685 0.5807 -0.1263 + 39ASN ND2 603 3.453 4.234 1.412 0.9768 -0.3641 -0.4203 + 39ASN HD21 604 3.379 4.166 1.426 1.0132 -0.6182 -1.4488 + 39ASN HD22 605 3.479 4.271 1.322 -0.5471 0.5116 -0.5372 + 39ASN C 606 3.569 4.409 1.804 0.0707 -0.3116 0.3772 + 39ASN O 607 3.466 4.472 1.847 -0.3575 0.6403 0.5704 + 40THR N 608 3.688 4.465 1.784 0.2579 0.5439 0.3375 + 40THR H 609 3.761 4.410 1.740 1.0149 0.9211 1.0915 + 40THR CA 610 3.722 4.606 1.812 0.0606 0.3892 0.0902 + 40THR HA 611 3.667 4.636 1.901 -2.3558 0.8302 -1.4485 + 40THR CB 612 3.868 4.633 1.834 -0.5390 0.2222 0.0037 + 40THR HB 613 3.881 4.738 1.859 -0.2520 -0.3939 2.8245 + 40THR CG2 614 3.940 4.542 1.930 0.6397 -0.4146 0.1745 + 40THR HG21 615 3.909 4.572 2.031 0.7161 -2.6496 0.9148 + 40THR HG22 616 3.936 4.436 1.907 0.3009 -0.2650 -0.4770 + 40THR HG23 617 4.046 4.566 1.929 0.0931 2.4101 -0.7948 + 40THR OG1 618 3.937 4.605 1.712 0.5165 0.2884 -0.1732 + 40THR HG1 619 3.982 4.687 1.691 -0.8956 0.7896 -1.3745 + 40THR C 620 3.664 4.699 1.713 -0.5455 0.3921 0.0097 + 40THR O 621 3.628 4.816 1.741 0.1503 -0.1775 0.1039 + 41GLN N 622 3.651 4.658 1.589 0.4248 0.7881 -0.4729 + 41GLN H 623 3.676 4.564 1.560 0.5706 0.7564 -0.2478 + 41GLN CA 624 3.599 4.736 1.474 -0.2971 -0.6687 0.1233 + 41GLN HA 625 3.624 4.842 1.483 1.3406 -1.0948 1.0844 + 41GLN CB 626 3.656 4.686 1.340 0.4017 0.6188 -0.0410 + 41GLN HB1 627 3.592 4.731 1.265 1.5349 2.3274 -0.0283 + 41GLN HB2 628 3.646 4.577 1.334 0.9656 0.4738 1.2609 + 41GLN CG 629 3.806 4.707 1.316 -0.9212 -0.3351 0.0482 + 41GLN HG1 630 3.847 4.627 1.255 0.3839 -0.2630 0.7821 + 41GLN HG2 631 3.852 4.703 1.415 -0.2059 -0.1187 -0.2723 + 41GLN CD 632 3.824 4.843 1.259 -0.5288 -0.3183 0.1434 + 41GLN OE1 633 3.810 4.864 1.141 -0.3211 -0.4142 0.0582 + 41GLN NE2 634 3.855 4.945 1.340 -0.0676 0.0052 0.3034 + 41GLN HE21 635 3.862 4.944 1.440 -1.8560 -1.2801 0.4549 + 41GLN HE22 636 3.861 5.036 1.296 -1.7399 0.0422 0.0815 + 41GLN C 637 3.445 4.748 1.473 0.2276 0.0204 0.0185 + 41GLN O 638 3.383 4.829 1.403 -0.1526 -0.3774 -0.5984 + 42ALA N 639 3.373 4.664 1.549 -0.0040 -0.1389 -0.5737 + 42ALA H 640 3.426 4.603 1.611 -0.7701 0.9940 1.2839 + 42ALA CA 641 3.223 4.652 1.544 0.1787 0.2949 -0.1981 + 42ALA HA 642 3.192 4.621 1.444 0.2032 -0.7165 0.0920 + 42ALA CB 643 3.169 4.536 1.624 0.7693 0.3975 -0.2721 + 42ALA HB1 644 3.062 4.536 1.604 1.1469 1.3356 -2.5970 + 42ALA HB2 645 3.216 4.442 1.595 -2.0457 -1.3688 0.4352 + 42ALA HB3 646 3.193 4.555 1.729 1.5614 2.5504 -0.7933 + 42ALA C 647 3.150 4.787 1.578 0.7264 0.5011 -0.0780 + 42ALA O 648 3.182 4.838 1.684 0.2225 -0.1784 -0.4699 + 43THR N 649 3.048 4.816 1.504 -0.1990 0.1287 0.1226 + 43THR H 650 3.043 4.770 1.415 0.8888 0.1969 0.0052 + 43THR CA 651 2.963 4.934 1.540 -0.6192 -0.3584 0.5815 + 43THR HA 652 2.974 4.963 1.644 0.2128 -3.5354 1.4852 + 43THR CB 653 3.005 5.061 1.469 0.6994 0.7916 1.5653 + 43THR HB 654 2.924 5.133 1.482 0.8376 1.1616 0.4161 + 43THR CG2 655 3.128 5.131 1.517 0.3482 -0.2639 -0.1317 + 43THR HG21 656 3.142 5.216 1.451 -2.4403 0.0055 -0.4962 + 43THR HG22 657 3.118 5.160 1.621 2.6345 1.1884 -0.2634 + 43THR HG23 658 3.211 5.061 1.518 -0.7586 -1.6215 1.5847 + 43THR OG1 659 3.033 5.041 1.329 0.6041 0.2225 0.3616 + 43THR HG1 660 3.125 5.015 1.318 0.5311 -0.7791 1.9290 + 43THR C 661 2.815 4.906 1.508 -0.1481 0.3676 0.4867 + 43THR O 662 2.786 4.837 1.407 -0.3094 0.0885 -0.5400 + 44ASN N 663 2.716 4.958 1.588 -0.1551 0.2576 -0.1943 + 44ASN H 664 2.753 5.016 1.662 -0.5979 -1.2707 1.2999 + 44ASN CA 665 2.573 4.932 1.583 0.0813 -0.1867 -0.3670 + 44ASN HA 666 2.538 4.876 1.496 -4.4404 2.6078 -0.6507 + 44ASN CB 667 2.544 4.842 1.709 0.0458 -0.7637 -0.5211 + 44ASN HB1 668 2.575 4.896 1.799 1.1408 2.1568 -2.5307 + 44ASN HB2 669 2.597 4.748 1.696 1.5723 0.2308 -1.8905 + 44ASN CG 670 2.399 4.812 1.705 -0.1666 0.6123 0.1784 + 44ASN OD1 671 2.351 4.749 1.613 -0.1985 0.1233 -0.0037 + 44ASN ND2 672 2.324 4.864 1.802 -0.0744 -0.7724 -0.0438 + 44ASN HD21 673 2.366 4.916 1.878 0.4813 3.4050 -2.8748 + 44ASN HD22 674 2.224 4.852 1.805 -0.2245 0.2024 -0.7557 + 44ASN C 675 2.490 5.065 1.586 0.4104 0.1515 -0.2210 + 44ASN O 676 2.488 5.124 1.694 0.0372 -0.1690 0.1815 + 45ARG N 677 2.425 5.098 1.477 -0.0332 -0.0482 -0.2366 + 45ARG H 678 2.409 5.022 1.412 1.3372 0.6978 -1.5167 + 45ARG CA 679 2.336 5.216 1.484 -0.7876 0.0869 0.1487 + 45ARG HA 680 2.398 5.295 1.527 0.4194 -1.7085 1.8958 + 45ARG CB 681 2.283 5.246 1.344 1.0262 -0.7429 0.7578 + 45ARG HB1 682 2.247 5.157 1.293 0.5517 0.2063 -0.6478 + 45ARG HB2 683 2.370 5.281 1.287 0.4315 0.4704 0.5534 + 45ARG CG 684 2.182 5.364 1.334 -0.7147 -0.4906 0.1337 + 45ARG HG1 685 2.098 5.344 1.400 -1.1077 0.4023 -0.0804 + 45ARG HG2 686 2.127 5.373 1.241 -0.4765 0.5476 0.0800 + 45ARG CD 687 2.247 5.505 1.359 0.0497 -0.3595 0.4032 + 45ARG HD1 688 2.318 5.496 1.441 1.3445 -2.0118 -0.8095 + 45ARG HD2 689 2.178 5.581 1.395 3.8122 4.0835 -0.8738 + 45ARG NE 690 2.313 5.560 1.238 0.8404 0.3318 -0.4880 + 45ARG HE 691 2.395 5.511 1.205 -0.0362 -0.5559 -1.4632 + 45ARG CZ 692 2.264 5.639 1.147 -0.3899 0.1189 0.3123 + 45ARG NH1 693 2.146 5.698 1.171 0.0374 0.2317 0.3194 + 45ARG HH11 694 2.106 5.680 1.262 0.2324 0.9799 0.5620 + 45ARG HH12 695 2.089 5.736 1.097 -0.7147 -0.4893 0.5133 + 45ARG NH2 696 2.307 5.661 1.026 -0.5638 -0.3036 0.1603 + 45ARG HH21 697 2.392 5.616 0.996 0.7924 -0.2797 3.5077 + 45ARG HH22 698 2.249 5.713 0.962 -0.2555 -2.2376 -1.8071 + 45ARG C 699 2.224 5.186 1.582 0.1754 -0.4756 -0.7867 + 45ARG O 700 2.148 5.094 1.561 -0.1090 -0.4626 0.6013 + 46ASN N 701 2.186 5.283 1.667 -0.0686 -0.6044 0.2193 + 46ASN H 702 2.245 5.364 1.669 1.5655 -1.7223 -0.1161 + 46ASN CA 703 2.064 5.282 1.745 -0.0095 -0.1272 0.3293 + 46ASN HA 704 2.025 5.180 1.745 -0.5414 0.0233 -2.0626 + 46ASN CB 705 2.092 5.328 1.892 0.0748 0.0367 0.0512 + 46ASN HB1 706 2.004 5.307 1.952 -0.0577 1.5114 0.4056 + 46ASN HB2 707 2.113 5.435 1.895 2.9867 -0.3331 -2.3099 + 46ASN CG 708 2.227 5.265 1.938 -0.0700 0.2239 -0.1583 + 46ASN OD1 709 2.332 5.326 1.925 0.5956 0.3651 0.2793 + 46ASN ND2 710 2.232 5.142 1.988 -0.4546 -0.1708 -0.8310 + 46ASN HD21 711 2.154 5.080 2.007 -0.0974 0.0276 1.6251 + 46ASN HD22 712 2.324 5.108 2.011 0.1513 1.2899 -0.9907 + 46ASN C 713 1.957 5.378 1.686 -0.0481 -0.5413 0.2221 + 46ASN O 714 1.986 5.461 1.598 0.8836 0.8470 0.3294 + 47THR N 715 1.837 5.367 1.735 -0.1636 0.2614 -0.4313 + 47THR H 716 1.825 5.288 1.797 -0.3500 0.6382 0.0141 + 47THR CA 717 1.720 5.433 1.685 0.3898 -0.0225 -0.5535 + 47THR HA 718 1.723 5.428 1.576 -1.1637 -2.9418 -0.5742 + 47THR CB 719 1.593 5.361 1.725 -0.1679 0.2945 0.1463 + 47THR HB 720 1.506 5.408 1.680 1.3313 1.2512 -1.8905 + 47THR CG2 721 1.593 5.223 1.661 0.3894 -0.3501 0.0920 + 47THR HG21 722 1.672 5.167 1.711 -0.9946 -1.9461 0.5665 + 47THR HG22 723 1.500 5.170 1.680 0.8573 -2.7938 -3.6305 + 47THR HG23 724 1.613 5.228 1.554 1.8740 1.7300 0.4001 + 47THR OG1 725 1.584 5.354 1.862 -0.4341 -0.2423 0.0098 + 47THR HG1 726 1.502 5.309 1.886 -0.1476 0.4380 2.5311 + 47THR C 727 1.702 5.581 1.713 -0.4619 0.5596 -1.5682 + 47THR O 728 1.624 5.653 1.651 0.3565 0.2458 0.4731 + 48ASP N 729 1.778 5.625 1.812 -0.0849 -0.9547 0.1682 + 48ASP H 730 1.846 5.561 1.850 -0.0366 -0.9749 0.0485 + 48ASP CA 731 1.795 5.768 1.861 0.7787 -0.0147 -0.1289 + 48ASP HA 732 1.699 5.813 1.834 1.4621 1.7544 0.2388 + 48ASP CB 733 1.814 5.773 2.015 -0.1469 -0.0034 0.2679 + 48ASP HB1 734 1.724 5.735 2.065 0.2208 0.3837 1.2462 + 48ASP HB2 735 1.818 5.880 2.035 2.2712 -0.0620 0.3194 + 48ASP CG 736 1.942 5.704 2.066 -0.1192 -0.2705 0.4462 + 48ASP OD1 737 2.027 5.651 1.987 0.8150 -0.1216 0.1630 + 48ASP OD2 738 1.964 5.718 2.186 0.8958 -0.0981 -0.4045 + 48ASP C 739 1.905 5.856 1.787 -0.1837 -0.1018 0.0897 + 48ASP O 740 1.922 5.970 1.826 0.2989 -0.7432 -0.8677 + 49GLY N 741 1.975 5.801 1.689 0.8536 -0.8074 0.3621 + 49GLY H 742 1.955 5.703 1.677 1.7783 -1.3073 2.4024 + 49GLY CA 743 2.081 5.871 1.619 0.5712 0.5905 0.9068 + 49GLY HA1 744 2.064 5.978 1.627 2.5314 0.8056 2.7320 + 49GLY HA2 745 2.076 5.833 1.516 0.7197 0.1854 1.0470 + 49GLY C 746 2.213 5.857 1.682 -0.5443 -0.1220 0.5083 + 49GLY O 747 2.317 5.907 1.628 -0.5239 0.0879 -0.6478 + 50SER N 748 2.225 5.784 1.791 0.0684 0.0399 0.0897 + 50SER H 749 2.137 5.752 1.829 -0.6088 -0.5348 -1.8398 + 50SER CA 750 2.348 5.733 1.854 0.1014 -0.2264 0.3265 + 50SER HA 751 2.421 5.813 1.842 -1.0546 0.7066 -0.7732 + 50SER CB 752 2.341 5.713 2.009 -0.1736 0.1460 0.0186 + 50SER HB1 753 2.296 5.799 2.059 -1.1287 -1.2073 1.6112 + 50SER HB2 754 2.442 5.698 2.048 0.2623 1.5564 -0.4775 + 50SER OG 755 2.271 5.597 2.046 0.2799 -0.3608 -0.3832 + 50SER HG 756 2.180 5.611 2.021 -0.1444 0.0227 1.2289 + 50SER C 757 2.409 5.603 1.780 -0.2337 -0.2979 -0.2382 + 50SER O 758 2.350 5.555 1.686 -0.3372 -0.1866 -0.0312 + 51THR N 759 2.527 5.556 1.821 0.2536 -0.4843 -0.2837 + 51THR H 760 2.574 5.605 1.896 -2.5973 0.9944 0.7093 + 51THR CA 761 2.595 5.437 1.774 -0.1923 -0.3891 -0.1172 + 51THR HA 762 2.515 5.367 1.750 -1.2163 0.8647 -0.4680 + 51THR CB 763 2.676 5.468 1.651 0.0856 -0.2427 -0.5531 + 51THR HB 764 2.741 5.555 1.663 1.9573 -1.6924 0.3632 + 51THR CG2 765 2.765 5.354 1.608 -0.2375 0.0678 0.1772 + 51THR HG21 766 2.828 5.400 1.532 0.5752 0.9683 1.3628 + 51THR HG22 767 2.835 5.336 1.688 -1.9494 1.2658 2.0447 + 51THR HG23 768 2.712 5.263 1.578 1.7378 -1.3841 0.9544 + 51THR OG1 769 2.594 5.481 1.540 -0.2249 -0.5975 -0.0353 + 51THR HG1 770 2.551 5.565 1.553 0.9183 -0.0680 0.5127 + 51THR C 771 2.671 5.375 1.893 0.3121 0.4350 -0.0264 + 51THR O 772 2.730 5.446 1.980 0.4444 -0.0928 1.0554 + 52ASP N 773 2.681 5.243 1.892 -0.1080 -0.7177 0.1173 + 52ASP H 774 2.638 5.189 1.819 -0.7594 0.0691 -0.0929 + 52ASP CA 775 2.767 5.178 1.986 0.3373 -0.4716 -0.2199 + 52ASP HA 776 2.775 5.239 2.076 0.7025 -1.6163 0.5384 + 52ASP CB 777 2.697 5.053 2.030 0.5748 -0.2765 0.0760 + 52ASP HB1 778 2.748 5.017 2.120 0.3357 2.9593 1.6590 + 52ASP HB2 779 2.720 4.980 1.953 0.3818 -0.2797 0.0194 + 52ASP CG 780 2.553 5.065 2.070 0.1411 -0.1065 -0.4101 + 52ASP OD1 781 2.519 5.148 2.163 -0.0763 -0.0622 -0.0723 + 52ASP OD2 782 2.469 4.974 2.036 -0.1748 0.3585 -0.1692 + 52ASP C 783 2.899 5.145 1.929 0.5597 0.5716 -0.0282 + 52ASP O 784 2.896 5.106 1.813 0.0958 0.1240 0.2450 + 53TYR N 785 3.011 5.164 1.994 -0.4032 -0.5819 0.1303 + 53TYR H 786 3.001 5.216 2.080 -2.0506 1.1117 -0.9928 + 53TYR CA 787 3.148 5.153 1.942 0.5185 0.2650 0.1388 + 53TYR HA 788 3.139 5.113 1.841 1.5644 -0.5268 0.3420 + 53TYR CB 789 3.213 5.293 1.942 0.1437 0.1252 0.8490 + 53TYR HB1 790 3.318 5.283 1.911 -0.5090 -0.5089 -1.3593 + 53TYR HB2 791 3.208 5.350 2.034 -2.0001 2.8072 -0.7817 + 53TYR CG 792 3.155 5.390 1.834 0.8669 0.3781 0.2350 + 53TYR CD1 793 3.208 5.408 1.703 0.7371 0.2875 -0.0964 + 53TYR HD1 794 3.286 5.344 1.663 2.1382 2.6108 -1.3117 + 53TYR CE1 795 3.162 5.519 1.623 -0.4803 -0.5282 -0.0019 + 53TYR HE1 796 3.205 5.537 1.526 0.0331 2.5844 0.6805 + 53TYR CZ 797 3.053 5.593 1.666 0.0950 -0.1965 0.0595 + 53TYR OH 798 3.017 5.702 1.595 -0.4990 0.1351 0.2486 + 53TYR HH 799 2.954 5.753 1.646 -0.2551 0.4186 0.2706 + 53TYR CE2 800 2.983 5.563 1.782 0.1743 0.4426 -0.2502 + 53TYR HE2 801 2.902 5.624 1.820 -0.7852 -1.4920 0.9986 + 53TYR CD2 802 3.038 5.465 1.867 0.6781 0.0994 -0.5653 + 53TYR HD2 803 3.002 5.456 1.969 2.3679 -0.1811 0.0463 + 53TYR C 804 3.235 5.053 2.018 0.3690 -0.2398 -0.0290 + 53TYR O 805 3.251 5.047 2.140 -0.1350 -0.2681 0.0619 + 54GLY N 806 3.311 4.974 1.937 -0.0135 -0.0148 0.0621 + 54GLY H 807 3.284 4.968 1.840 2.7805 -0.6874 -0.7846 + 54GLY CA 808 3.420 4.886 1.977 0.3333 -0.4246 0.0777 + 54GLY HA1 809 3.485 4.948 2.039 -1.0998 -1.2450 2.5414 + 54GLY HA2 810 3.474 4.846 1.892 -1.4504 -3.8778 0.3839 + 54GLY C 811 3.388 4.753 2.051 -0.1378 -0.2637 -0.4603 + 54GLY O 812 3.275 4.713 2.058 0.2217 0.1198 -0.0485 + 55ILE N 813 3.494 4.700 2.116 -0.4551 0.6790 -0.0454 + 55ILE H 814 3.581 4.751 2.111 -0.6927 1.2976 1.5688 + 55ILE CA 815 3.489 4.566 2.187 -0.2886 0.0626 -0.1800 + 55ILE HA 816 3.423 4.506 2.124 -0.1022 0.4694 -0.7756 + 55ILE CB 817 3.634 4.507 2.197 0.0667 -0.0962 0.1145 + 55ILE HB 818 3.676 4.530 2.099 -0.0037 0.2181 0.1575 + 55ILE CG2 819 3.730 4.579 2.300 -0.1169 0.3455 0.3139 + 55ILE HG21 820 3.829 4.534 2.298 -0.3436 -0.1539 -0.0525 + 55ILE HG22 821 3.739 4.681 2.262 -0.2579 0.8089 1.4790 + 55ILE HG23 822 3.692 4.574 2.402 -1.1043 0.5634 -0.0336 + 55ILE CG1 823 3.634 4.352 2.211 -0.4584 0.4124 0.3819 + 55ILE HG11 824 3.558 4.298 2.155 -0.2374 1.3670 -0.8927 + 55ILE HG12 825 3.628 4.333 2.318 -0.4223 2.0170 0.6981 + 55ILE CD 826 3.764 4.301 2.158 -0.5416 -0.0811 -0.2571 + 55ILE HD1 827 3.847 4.341 2.217 -0.8506 -0.2546 0.2974 + 55ILE HD2 828 3.768 4.192 2.155 0.4525 -0.0522 -0.2719 + 55ILE HD3 829 3.777 4.341 2.057 -3.3673 2.3782 0.2184 + 55ILE C 830 3.422 4.569 2.324 -0.3238 -0.6568 -0.2723 + 55ILE O 831 3.408 4.467 2.393 0.1007 0.0722 -0.0310 + 56LEU N 832 3.359 4.687 2.358 -0.4085 0.4182 0.4551 + 56LEU H 833 3.357 4.756 2.284 1.7556 0.1539 0.0892 + 56LEU CA 834 3.265 4.705 2.470 -0.2238 0.2801 0.0283 + 56LEU HA 835 3.229 4.603 2.484 -0.6112 0.6052 1.6527 + 56LEU CB 836 3.343 4.754 2.591 0.0744 -0.6832 -0.2684 + 56LEU HB1 837 3.267 4.792 2.659 -0.7332 -0.5159 -1.2394 + 56LEU HB2 838 3.405 4.839 2.561 -0.7345 -0.7000 -2.1381 + 56LEU CG 839 3.431 4.650 2.671 -0.2124 -0.9764 0.7094 + 56LEU HG 840 3.505 4.609 2.602 -0.8585 -1.5030 0.3220 + 56LEU CD1 841 3.503 4.717 2.788 0.3474 -0.4129 0.7722 + 56LEU HD11 842 3.588 4.665 2.834 -0.3677 0.5163 3.2954 + 56LEU HD12 843 3.534 4.820 2.767 -0.3827 -0.5306 -1.0962 + 56LEU HD13 844 3.424 4.725 2.862 0.2731 -0.7946 0.7367 + 56LEU CD2 845 3.357 4.531 2.730 -0.2122 0.6759 -0.0558 + 56LEU HD21 846 3.432 4.470 2.780 1.2647 3.0643 0.7802 + 56LEU HD22 847 3.276 4.564 2.795 -0.3666 -1.5547 0.9862 + 56LEU HD23 848 3.305 4.481 2.648 0.8668 -1.2513 0.3795 + 56LEU C 849 3.136 4.777 2.435 -0.1902 -0.6379 0.3596 + 56LEU O 850 3.062 4.816 2.527 0.4490 -0.1911 -0.3742 + 57GLN N 851 3.107 4.792 2.303 0.6467 -0.5629 -0.8452 + 57GLN H 852 3.166 4.754 2.230 2.2299 -2.8179 1.4038 + 57GLN CA 853 2.990 4.863 2.255 -0.6933 -0.0334 -0.5839 + 57GLN HA 854 3.008 4.901 2.154 -1.9878 0.9724 -0.4631 + 57GLN CB 855 2.870 4.768 2.236 0.7825 -0.4802 -0.5351 + 57GLN HB1 856 2.781 4.825 2.211 0.1342 -1.4418 -0.5088 + 57GLN HB2 857 2.847 4.722 2.333 1.6505 -2.1543 -1.0780 + 57GLN CG 858 2.871 4.660 2.129 -0.2448 0.7924 0.6731 + 57GLN HG1 859 2.785 4.595 2.139 1.3712 -1.9164 -1.5843 + 57GLN HG2 860 2.957 4.594 2.144 1.0687 2.1543 -0.5188 + 57GLN CD 861 2.893 4.705 1.987 -0.5756 0.2557 0.2967 + 57GLN OE1 862 2.804 4.700 1.903 -0.1600 0.3171 0.3616 + 57GLN NE2 863 3.009 4.751 1.935 -0.1345 -0.2181 -0.4600 + 57GLN HE21 864 3.094 4.744 1.989 0.6433 1.9076 -1.2885 + 57GLN HE22 865 3.002 4.798 1.846 -1.4736 0.4560 -0.0210 + 57GLN C 866 2.948 4.991 2.329 0.3329 0.1335 0.4107 + 57GLN O 867 2.839 4.995 2.388 -0.7183 0.2660 -0.1901 + 58ILE N 868 3.041 5.085 2.340 -0.3701 -0.6722 -0.3265 + 58ILE H 869 3.130 5.069 2.294 0.4834 -0.6888 1.2846 + 58ILE CA 870 3.026 5.214 2.418 0.2359 -0.2286 0.3264 + 58ILE HA 871 2.963 5.199 2.506 -1.1280 -1.6254 -0.8157 + 58ILE CB 872 3.165 5.249 2.466 -0.2770 -0.9539 -0.0106 + 58ILE HB 873 3.224 5.235 2.375 -1.9855 -1.4075 -1.0861 + 58ILE CG2 874 3.178 5.391 2.525 0.4900 -0.4837 -0.0631 + 58ILE HG21 875 3.273 5.393 2.579 1.1048 -1.9722 -1.0210 + 58ILE HG22 876 3.190 5.460 2.442 0.1070 -1.7524 -1.2101 + 58ILE HG23 877 3.094 5.420 2.588 0.1119 0.7388 -1.0792 + 58ILE CG1 878 3.212 5.153 2.574 0.1526 0.2025 0.0708 + 58ILE HG11 879 3.172 5.052 2.572 1.1127 -0.2879 2.4274 + 58ILE HG12 880 3.187 5.199 2.670 -1.2864 -1.6053 0.6272 + 58ILE CD 881 3.366 5.142 2.572 -0.0143 0.1953 0.3020 + 58ILE HD1 882 3.415 5.240 2.577 -0.6511 0.4676 1.2724 + 58ILE HD2 883 3.412 5.092 2.656 -1.0471 -0.6258 0.3915 + 58ILE HD3 884 3.395 5.089 2.481 -0.2406 -0.3833 0.5616 + 58ILE C 885 2.956 5.319 2.324 -0.0530 0.3700 -0.7551 + 58ILE O 886 2.988 5.338 2.209 -0.4024 0.0852 0.0296 + 59ASN N 887 2.848 5.383 2.383 -0.7779 0.2974 -0.4578 + 59ASN H 888 2.842 5.362 2.482 0.4942 -0.6221 -0.5492 + 59ASN CA 889 2.749 5.458 2.309 0.4909 -0.4879 0.4729 + 59ASN HA 890 2.757 5.434 2.203 2.4600 1.9060 0.0055 + 59ASN CB 891 2.611 5.419 2.371 -0.5296 -0.0757 0.5559 + 59ASN HB1 892 2.609 5.444 2.477 0.5239 2.2056 0.1010 + 59ASN HB2 893 2.604 5.311 2.363 0.4002 -0.1827 0.9551 + 59ASN CG 894 2.500 5.491 2.291 0.0009 -0.1490 -0.3175 + 59ASN OD1 895 2.467 5.608 2.324 0.3903 0.0249 0.6226 + 59ASN ND2 896 2.448 5.427 2.190 0.1819 -0.0205 0.1973 + 59ASN HD21 897 2.472 5.331 2.170 2.7269 0.8508 -1.4993 + 59ASN HD22 898 2.387 5.480 2.129 -0.2339 0.7719 1.2690 + 59ASN C 899 2.763 5.611 2.315 -0.5805 0.2373 0.1022 + 59ASN O 900 2.785 5.670 2.421 -0.2302 0.3803 0.6569 + 60SER N 901 2.759 5.667 2.194 -0.9642 -0.3070 0.1182 + 60SER H 902 2.744 5.605 2.116 0.8933 1.8816 -2.1223 + 60SER CA 903 2.796 5.810 2.172 0.4074 -0.1131 -0.6295 + 60SER HA 904 2.886 5.836 2.228 -0.5719 0.7413 0.6205 + 60SER CB 905 2.832 5.834 2.026 -0.3246 0.2788 -0.5131 + 60SER HB1 906 2.916 5.767 2.005 -0.5555 -0.1011 -0.2461 + 60SER HB2 907 2.864 5.936 2.004 1.3229 0.1087 0.8740 + 60SER OG 908 2.725 5.795 1.945 -0.1175 -0.2171 -0.0993 + 60SER HG 909 2.742 5.827 1.856 -0.7458 -0.1413 -0.1958 + 60SER C 910 2.690 5.912 2.217 0.0192 -0.3756 -0.0568 + 60SER O 911 2.711 6.035 2.195 -0.7971 -0.3679 -0.2201 + 61ARG N 912 2.584 5.872 2.288 -0.2633 0.6306 -0.0807 + 61ARG H 913 2.558 5.774 2.291 -1.3674 0.8390 -1.7117 + 61ARG CA 914 2.498 5.970 2.359 0.1227 -0.3486 -0.4629 + 61ARG HA 915 2.495 6.061 2.300 0.8973 -0.4993 -0.7421 + 61ARG CB 916 2.357 5.903 2.365 -0.2898 -0.3510 0.1111 + 61ARG HB1 917 2.355 5.819 2.434 0.1335 -1.9845 -1.7580 + 61ARG HB2 918 2.332 5.870 2.264 -2.3586 -0.3065 0.5586 + 61ARG CG 919 2.251 6.002 2.406 -0.0304 -0.3110 -0.0974 + 61ARG HG1 920 2.241 6.081 2.331 3.1013 0.1189 -0.1724 + 61ARG HG2 921 2.274 6.049 2.502 0.4214 -0.7691 0.0197 + 61ARG CD 922 2.119 5.938 2.416 -0.2976 0.1414 -0.1167 + 61ARG HD1 923 2.125 5.864 2.496 -1.9279 -0.3373 -0.3991 + 61ARG HD2 924 2.104 5.895 2.316 -0.1176 -0.6329 0.1805 + 61ARG NE 925 2.018 6.037 2.449 0.2138 0.2009 -0.0475 + 61ARG HE 926 2.050 6.121 2.495 -1.3912 0.6057 0.3840 + 61ARG CZ 927 1.891 6.029 2.427 0.0623 0.5850 0.1015 + 61ARG NH1 928 1.826 5.935 2.364 -0.2173 0.0503 -0.0676 + 61ARG HH11 929 1.879 5.864 2.316 -0.3951 -0.0309 -0.1464 + 61ARG HH12 930 1.726 5.945 2.353 0.1688 2.8789 -1.9514 + 61ARG NH2 931 1.814 6.128 2.458 -0.1380 -0.6103 0.2955 + 61ARG HH21 932 1.853 6.216 2.490 -0.7450 -0.3199 0.2479 + 61ARG HH22 933 1.721 6.126 2.419 -0.4090 -0.8036 0.9495 + 61ARG C 934 2.557 6.007 2.494 0.1375 0.1720 -0.1757 + 61ARG O 935 2.563 6.125 2.523 0.0774 -0.0266 1.0605 + 62TRP N 936 2.613 5.914 2.573 -0.0009 -0.3505 -0.3760 + 62TRP H 937 2.600 5.816 2.553 -2.8186 -0.1606 0.0412 + 62TRP CA 938 2.656 5.942 2.705 0.0147 0.9246 0.0669 + 62TRP HA 939 2.624 6.037 2.748 -0.9077 0.1475 1.1519 + 62TRP CB 940 2.613 5.824 2.797 -1.0155 0.2453 0.2733 + 62TRP HB1 941 2.633 5.841 2.903 0.0552 -0.7637 0.2547 + 62TRP HB2 942 2.661 5.731 2.767 1.7953 1.7754 -0.3139 + 62TRP CG 943 2.466 5.801 2.800 -0.1432 -0.1617 -0.5010 + 62TRP CD1 944 2.408 5.692 2.751 0.8476 0.2439 -0.0773 + 62TRP HD1 945 2.452 5.600 2.716 -0.6050 -1.3255 1.8984 + 62TRP NE1 946 2.272 5.713 2.733 0.6217 0.0839 0.3766 + 62TRP HE1 947 2.205 5.649 2.693 1.2259 -1.4169 1.6572 + 62TRP CE2 948 2.243 5.840 2.781 0.6628 0.0214 -0.0186 + 62TRP CZ2 949 2.119 5.907 2.787 -0.1548 0.1308 0.3263 + 62TRP HZ2 950 2.032 5.854 2.752 -0.6863 1.9689 -1.3257 + 62TRP CH2 951 2.114 6.040 2.832 0.7734 0.0077 0.6069 + 62TRP HH2 952 2.016 6.085 2.831 0.4926 -0.5968 0.6668 + 62TRP CZ3 953 2.226 6.109 2.883 -0.0814 -0.5923 -0.5742 + 62TRP HZ3 954 2.220 6.211 2.918 0.9788 -1.1617 1.3289 + 62TRP CE3 955 2.347 6.037 2.880 0.7136 0.7029 0.7058 + 62TRP HE3 956 2.432 6.096 2.912 -0.4813 2.0468 1.5235 + 62TRP CD2 957 2.358 5.901 2.833 -0.6211 0.0410 0.3125 + 62TRP C 958 2.807 5.951 2.705 0.1850 0.3834 0.1824 + 62TRP O 959 2.860 6.026 2.784 -0.3493 -0.4709 -0.1892 + 63TRP N 960 2.883 5.884 2.623 -0.2692 -0.4101 0.2100 + 63TRP H 961 2.839 5.833 2.549 0.1755 1.1354 -1.1733 + 63TRP CA 962 3.019 5.846 2.674 0.4261 0.0173 -0.1170 + 63TRP HA 963 3.043 5.887 2.772 -1.0675 0.7231 -0.0187 + 63TRP CB 964 3.026 5.690 2.690 0.0134 0.3720 -0.7294 + 63TRP HB1 965 3.124 5.655 2.724 -1.0097 0.5278 2.7512 + 63TRP HB2 966 2.998 5.649 2.593 -1.0861 1.2573 -0.8029 + 63TRP CG 967 2.931 5.630 2.794 -0.1318 -0.4851 0.2294 + 63TRP CD1 968 2.838 5.542 2.768 0.6068 0.1960 -0.1390 + 63TRP HD1 969 2.817 5.505 2.669 0.0836 -1.3809 0.5162 + 63TRP NE1 970 2.766 5.509 2.881 -0.0196 -0.3492 -0.3350 + 63TRP HE1 971 2.690 5.442 2.873 -0.1709 -0.1093 -0.9430 + 63TRP CE2 972 2.807 5.584 2.987 -0.4374 -0.2619 0.1730 + 63TRP CZ2 973 2.771 5.592 3.120 0.3045 0.1880 -0.1799 + 63TRP HZ2 974 2.701 5.522 3.164 0.2707 -0.3110 -1.0068 + 63TRP CH2 975 2.844 5.677 3.210 -0.1680 0.4685 0.9526 + 63TRP HH2 976 2.823 5.694 3.315 1.1695 0.6236 1.2109 + 63TRP CZ3 977 2.956 5.741 3.163 -0.2776 -0.6708 -1.1165 + 63TRP HZ3 978 3.002 5.803 3.238 1.0221 1.1511 -3.2884 + 63TRP CE3 979 3.004 5.724 3.033 -0.8417 0.1606 -0.2104 + 63TRP HE3 980 3.097 5.769 3.004 -0.1198 -0.0129 1.7276 + 63TRP CD2 981 2.924 5.659 2.938 0.2634 0.4254 -0.0139 + 63TRP C 982 3.133 5.902 2.591 -0.0024 -0.2874 -0.2187 + 63TRP O 983 3.232 5.948 2.647 0.6653 -0.3845 0.5007 + 64CYS N 984 3.113 5.883 2.462 -0.6661 0.3820 0.6928 + 64CYS H 985 3.022 5.851 2.434 -0.7825 -1.3549 2.8045 + 64CYS CA 986 3.208 5.927 2.359 0.2084 -0.1981 -0.2169 + 64CYS HA 987 3.292 5.978 2.406 -0.1459 0.2253 -0.0437 + 64CYS CB 988 3.280 5.810 2.285 -0.1744 0.0288 0.4261 + 64CYS HB1 989 3.310 5.741 2.363 0.6969 -1.0166 -0.7886 + 64CYS HB2 990 3.368 5.853 2.238 -0.9709 2.2272 0.7907 + 64CYS SG 991 3.177 5.720 2.167 -0.1596 -0.1945 -0.2119 + 64CYS C 992 3.143 6.030 2.265 0.2932 0.1561 0.6661 + 64CYS O 993 3.022 6.014 2.241 0.1736 0.1472 -0.7374 + 65ASN N 994 3.217 6.121 2.201 -0.2948 -0.0830 0.3145 + 65ASN H 995 3.316 6.132 2.216 -0.5299 1.8640 0.6625 + 65ASN CA 996 3.167 6.206 2.096 -0.4523 -0.1146 -0.1641 + 65ASN HA 997 3.061 6.209 2.119 -0.4348 0.4074 -0.1490 + 65ASN CB 998 3.218 6.350 2.123 -0.0993 -0.0552 0.3652 + 65ASN HB1 999 3.325 6.338 2.137 0.1839 0.0964 -1.5148 + 65ASN HB2 1000 3.176 6.385 2.218 -1.7559 -3.3353 1.0022 + 65ASN CG 1001 3.184 6.460 2.028 -0.5983 1.0350 0.1891 + 65ASN OD1 1002 3.093 6.450 1.951 0.3933 0.1060 -0.0221 + 65ASN ND2 1003 3.258 6.570 2.024 -0.3264 0.4269 0.1256 + 65ASN HD21 1004 3.322 6.583 2.102 -1.5517 -0.9118 1.4032 + 65ASN HD22 1005 3.231 6.649 1.967 1.0054 1.3936 0.7565 + 65ASN C 1006 3.198 6.158 1.955 0.1677 -0.7119 -0.0877 + 65ASN O 1007 3.311 6.140 1.920 -0.3556 -0.3371 -0.0832 + 66ASP N 1008 3.096 6.142 1.873 0.5380 0.2861 -0.2486 + 66ASP H 1009 3.007 6.153 1.920 0.8120 3.4157 -0.2501 + 66ASP CA 1010 3.114 6.112 1.730 0.1758 0.4118 -0.3483 + 66ASP HA 1011 3.217 6.077 1.721 -0.2686 -1.4368 1.0298 + 66ASP CB 1012 3.032 5.985 1.686 -0.4816 0.4097 -0.1680 + 66ASP HB1 1013 3.080 5.902 1.738 -0.3083 -0.8260 -2.1849 + 66ASP HB2 1014 3.051 5.967 1.580 -2.5343 -0.7834 -0.3820 + 66ASP CG 1015 2.878 5.992 1.704 -0.4392 -0.4575 -0.2433 + 66ASP OD1 1016 2.823 6.104 1.714 -0.0117 -0.2743 -0.4018 + 66ASP OD2 1017 2.810 5.889 1.695 0.1055 0.5495 0.3762 + 66ASP C 1018 3.088 6.235 1.644 -0.4926 -0.0782 -0.5475 + 66ASP O 1019 3.106 6.220 1.526 0.6891 0.1335 0.3247 + 67GLY N 1020 3.045 6.352 1.697 -0.6436 0.1440 0.3470 + 67GLY H 1021 3.017 6.352 1.795 -1.0705 -0.6803 0.2328 + 67GLY CA 1022 3.016 6.473 1.626 -0.0536 0.0443 -0.2211 + 67GLY HA1 1023 3.102 6.514 1.572 -0.0593 -0.4883 -0.6439 + 67GLY HA2 1024 2.988 6.550 1.698 -2.7244 -0.3826 -0.7187 + 67GLY C 1025 2.900 6.462 1.533 -0.1257 -0.2487 0.4156 + 67GLY O 1026 2.875 6.547 1.450 -0.4713 -0.2699 0.1290 + 68ARG N 1027 2.826 6.349 1.541 0.2167 0.0261 0.6764 + 68ARG H 1028 2.858 6.271 1.597 -0.6900 0.8244 2.3760 + 68ARG CA 1029 2.699 6.323 1.464 0.0179 0.5840 0.5093 + 68ARG HA 1030 2.663 6.415 1.418 1.3797 1.0024 0.2263 + 68ARG CB 1031 2.714 6.231 1.335 0.2017 -0.5187 -0.3064 + 68ARG HB1 1032 2.744 6.296 1.253 -0.5952 3.5117 2.2877 + 68ARG HB2 1033 2.616 6.195 1.302 -0.0862 0.4466 -0.5444 + 68ARG CG 1034 2.811 6.111 1.344 0.8070 -0.3732 -0.5107 + 68ARG HG1 1035 2.799 6.048 1.432 -1.9890 0.5158 -0.1731 + 68ARG HG2 1036 2.910 6.154 1.361 0.3711 -0.0400 1.4060 + 68ARG CD 1037 2.837 6.031 1.214 -0.0597 0.3128 -0.0887 + 68ARG HD1 1038 2.939 5.992 1.218 -1.0520 -2.3957 2.0299 + 68ARG HD2 1039 2.823 6.097 1.128 -1.8968 -0.2144 -0.2277 + 68ARG NE 1040 2.748 5.922 1.213 0.4287 -0.2260 -0.5543 + 68ARG HE 1041 2.795 5.837 1.240 0.9609 0.8986 2.4909 + 68ARG CZ 1042 2.627 5.916 1.159 0.0840 0.6537 0.0521 + 68ARG NH1 1043 2.573 6.024 1.108 -0.1551 -0.3762 -0.0643 + 68ARG HH11 1044 2.618 6.114 1.117 -0.4370 -0.3687 1.4258 + 68ARG HH12 1045 2.490 6.000 1.056 1.1681 -2.6595 -1.3071 + 68ARG NH2 1046 2.566 5.801 1.140 0.6700 -0.0890 0.2337 + 68ARG HH21 1047 2.604 5.719 1.184 0.7224 -1.6060 -2.4301 + 68ARG HH22 1048 2.485 5.796 1.080 1.1883 0.4297 -0.5346 + 68ARG C 1049 2.578 6.294 1.548 -0.5863 -0.5282 -0.4834 + 68ARG O 1050 2.469 6.327 1.505 -0.4339 -0.6360 0.6863 + 69THR N 1051 2.593 6.242 1.674 -0.0561 0.0986 0.2082 + 69THR H 1052 2.686 6.211 1.701 -0.4338 2.0442 4.4309 + 69THR CA 1053 2.480 6.198 1.764 0.3367 0.4221 0.5185 + 69THR HA 1054 2.398 6.143 1.717 -0.3000 0.9181 1.0362 + 69THR CB 1055 2.536 6.100 1.870 -1.2025 -0.0185 -0.2445 + 69THR HB 1056 2.618 6.152 1.919 0.0446 -0.7597 -1.4669 + 69THR CG2 1057 2.431 6.057 1.973 -0.3556 0.1622 0.2034 + 69THR HG21 1058 2.476 6.019 2.065 -1.0012 0.8229 0.8123 + 69THR HG22 1059 2.379 6.148 2.005 1.6225 1.1310 0.8419 + 69THR HG23 1060 2.361 5.981 1.939 -0.8134 0.8557 -0.4349 + 69THR OG1 1061 2.589 5.990 1.796 0.1233 0.0293 0.1275 + 69THR HG1 1062 2.673 6.014 1.755 -0.1286 1.5981 0.4891 + 69THR C 1063 2.417 6.320 1.827 -0.4789 -0.0214 0.0760 + 69THR O 1064 2.490 6.400 1.890 -0.5883 0.6752 0.2629 + 70PRO N 1065 2.285 6.351 1.813 0.0165 0.3213 -0.1712 + 70PRO CD 1066 2.198 6.302 1.711 -0.3552 0.2832 -0.4230 + 70PRO HD1 1067 2.146 6.211 1.739 1.3072 -0.3217 0.8830 + 70PRO HD2 1068 2.252 6.276 1.620 -0.8659 -1.9864 -0.1235 + 70PRO CG 1069 2.104 6.417 1.686 0.0067 -0.5172 -1.1600 + 70PRO HG1 1070 2.003 6.391 1.652 -0.9963 1.3304 0.2289 + 70PRO HG2 1071 2.156 6.495 1.629 -0.3860 -0.8274 -1.9671 + 70PRO CB 1072 2.086 6.471 1.827 0.1312 -0.8926 -0.4116 + 70PRO HB1 1073 2.020 6.401 1.878 -0.2731 1.2144 2.2418 + 70PRO HB2 1074 2.053 6.572 1.855 1.4741 -1.5038 4.3334 + 70PRO CA 1075 2.222 6.461 1.885 0.1877 0.6692 -0.6479 + 70PRO HA 1076 2.287 6.548 1.879 2.5889 -1.0858 -1.4055 + 70PRO C 1077 2.209 6.435 2.035 -0.3696 -0.0716 -0.2223 + 70PRO O 1078 2.196 6.319 2.076 -0.0610 -0.3504 0.2719 + 71GLY N 1079 2.205 6.529 2.126 0.3196 -0.1128 0.9857 + 71GLY H 1080 2.198 6.621 2.084 -1.2147 -1.1293 -1.2237 + 71GLY CA 1081 2.198 6.514 2.271 -0.2484 -0.5768 0.0284 + 71GLY HA1 1082 2.117 6.444 2.297 -1.0753 1.1890 2.7103 + 71GLY HA2 1083 2.167 6.615 2.297 -2.1786 -1.1883 0.2750 + 71GLY C 1084 2.323 6.458 2.348 0.2549 -1.0078 0.1024 + 71GLY O 1085 2.312 6.405 2.457 0.4699 -0.3264 -0.0973 + 72SER N 1086 2.444 6.476 2.292 0.3104 -0.0263 0.3415 + 72SER H 1087 2.452 6.533 2.209 0.3403 -1.0518 -0.3923 + 72SER CA 1088 2.567 6.403 2.336 -0.0675 0.2990 -0.8425 + 72SER HA 1089 2.527 6.305 2.361 0.2711 0.4508 0.3395 + 72SER CB 1090 2.665 6.389 2.219 1.0376 0.0998 -0.5008 + 72SER HB1 1091 2.692 6.491 2.192 4.2405 -0.5983 -0.3537 + 72SER HB2 1092 2.615 6.337 2.137 -1.5330 -0.3572 1.2371 + 72SER OG 1093 2.791 6.327 2.257 -0.0722 -0.6568 0.1385 + 72SER HG 1094 2.789 6.239 2.219 0.5485 0.4066 -2.6198 + 72SER C 1095 2.637 6.459 2.464 -0.1631 -0.0392 0.2202 + 72SER O 1096 2.665 6.580 2.476 0.0669 0.1798 -0.5230 + 73ARG N 1097 2.674 6.370 2.558 0.4776 -0.1890 0.3645 + 73ARG H 1098 2.647 6.274 2.545 -2.8470 -0.2387 4.8900 + 73ARG CA 1099 2.757 6.415 2.675 -0.3772 0.3828 -0.0243 + 73ARG HA 1100 2.751 6.519 2.705 3.4576 0.8411 -0.2941 + 73ARG CB 1101 2.688 6.353 2.800 0.0219 -0.6219 0.0108 + 73ARG HB1 1102 2.745 6.382 2.888 -1.8282 -1.1197 1.4335 + 73ARG HB2 1103 2.692 6.245 2.789 -0.4809 -0.7175 0.7589 + 73ARG CG 1104 2.542 6.414 2.808 0.2975 -0.4087 0.8846 + 73ARG HG1 1105 2.477 6.360 2.878 -1.1177 -2.5090 -1.8586 + 73ARG HG2 1106 2.486 6.422 2.715 1.0415 -3.5647 0.0470 + 73ARG CD 1107 2.549 6.552 2.869 0.0775 -0.8544 -1.1624 + 73ARG HD1 1108 2.623 6.613 2.817 -0.3286 -0.4774 -1.3022 + 73ARG HD2 1109 2.584 6.539 2.972 0.6556 -0.4795 -1.3081 + 73ARG NE 1110 2.421 6.630 2.880 0.0627 -0.2767 -0.5643 + 73ARG HE 1111 2.376 6.634 2.971 -0.6486 -0.3531 -0.9080 + 73ARG CZ 1112 2.353 6.685 2.781 0.4495 -0.0593 -0.4948 + 73ARG NH1 1113 2.388 6.707 2.658 -0.2270 -0.0652 0.6407 + 73ARG HH11 1114 2.479 6.679 2.623 -0.5637 1.7432 -1.9511 + 73ARG HH12 1115 2.331 6.764 2.598 -0.5860 -0.5721 0.4893 + 73ARG NH2 1116 2.228 6.723 2.801 0.4444 -0.7298 0.2528 + 73ARG HH21 1117 2.189 6.733 2.893 0.3100 1.7064 -0.0165 + 73ARG HH22 1118 2.173 6.754 2.722 0.7759 -0.6923 0.0296 + 73ARG C 1119 2.903 6.395 2.682 0.9172 -0.7031 0.0504 + 73ARG O 1120 2.968 6.477 2.740 -0.0913 -0.3427 -0.3787 + 74ASN N 1121 2.956 6.294 2.619 0.5689 0.0485 -0.4655 + 74ASN H 1122 2.889 6.237 2.568 0.1470 2.8044 -3.3251 + 74ASN CA 1123 3.099 6.258 2.611 -0.1617 -0.6010 0.4602 + 74ASN HA 1124 3.101 6.162 2.560 -2.3823 -0.0652 -0.7617 + 74ASN CB 1125 3.168 6.357 2.513 -0.5451 0.0480 -0.2807 + 74ASN HB1 1126 3.170 6.457 2.557 -2.4790 0.4538 -1.0107 + 74ASN HB2 1127 3.121 6.362 2.414 -1.3597 -2.0844 -0.0592 + 74ASN CG 1128 3.308 6.307 2.490 -0.0371 -0.1828 0.5691 + 74ASN OD1 1129 3.340 6.195 2.518 -0.1767 -0.3035 0.1629 + 74ASN ND2 1130 3.394 6.380 2.432 -0.6543 -0.0313 -0.6136 + 74ASN HD21 1131 3.367 6.472 2.401 1.5781 1.7478 2.2791 + 74ASN HD22 1132 3.472 6.336 2.385 -0.2422 -0.5116 0.5026 + 74ASN C 1133 3.165 6.243 2.750 0.1874 0.0087 -0.1085 + 74ASN O 1134 3.259 6.311 2.780 0.1939 -0.5686 0.0478 + 75LEU N 1135 3.103 6.165 2.840 -0.3575 -0.0019 -0.2030 + 75LEU H 1136 3.015 6.124 2.812 -1.1073 0.2949 1.6024 + 75LEU CA 1137 3.148 6.141 2.976 -0.8198 -0.6644 -0.4627 + 75LEU HA 1138 3.159 6.242 3.016 0.0891 0.0998 -2.5427 + 75LEU CB 1139 3.037 6.079 3.064 0.3496 0.2067 0.1156 + 75LEU HB1 1140 3.076 6.055 3.163 -1.9918 -1.5756 0.7054 + 75LEU HB2 1141 2.997 5.984 3.027 0.2737 -0.5805 2.0899 + 75LEU CG 1142 2.908 6.167 3.079 -1.0735 -0.7917 0.1428 + 75LEU HG 1143 2.885 6.209 2.981 0.4710 0.2959 0.1993 + 75LEU CD1 1144 2.794 6.088 3.137 -0.8109 1.0671 -0.6302 + 75LEU HD11 1145 2.816 6.058 3.239 0.5379 -1.0607 -1.5034 + 75LEU HD12 1146 2.705 6.151 3.148 0.0233 1.8585 2.6516 + 75LEU HD13 1147 2.780 6.001 3.074 0.2595 0.3995 0.0274 + 75LEU CD2 1148 2.934 6.281 3.172 -0.4395 0.6188 0.3884 + 75LEU HD21 1149 2.837 6.324 3.200 -0.7033 0.4381 -0.2344 + 75LEU HD22 1150 2.993 6.260 3.261 -0.8507 -0.4475 0.4223 + 75LEU HD23 1151 2.988 6.348 3.104 -2.5165 0.6417 -1.3757 + 75LEU C 1152 3.279 6.064 3.001 0.0525 0.3841 -0.2337 + 75LEU O 1153 3.319 6.054 3.118 -0.3879 -0.2664 0.1652 + 76CYS N 1154 3.341 6.018 2.894 0.3089 -0.3823 -0.0433 + 76CYS H 1155 3.303 6.032 2.802 3.3255 -0.2131 -1.3682 + 76CYS CA 1156 3.474 5.964 2.892 -0.5300 0.5092 0.0076 + 76CYS HA 1157 3.499 5.945 2.997 -1.1345 0.0775 0.0775 + 76CYS CB 1158 3.470 5.830 2.823 -0.1802 0.7805 -0.3190 + 76CYS HB1 1159 3.572 5.795 2.806 -0.6679 -0.6766 -0.4547 + 76CYS HB2 1160 3.419 5.843 2.727 0.0798 0.9255 -0.4358 + 76CYS SG 1161 3.389 5.692 2.916 0.0662 -0.6496 -0.2661 + 76CYS C 1162 3.578 6.054 2.827 -0.4008 0.5153 -0.0485 + 76CYS O 1163 3.698 6.025 2.823 -0.1074 0.3015 0.1757 + 77ASN N 1164 3.541 6.175 2.781 -0.0132 -0.0766 -0.1050 + 77ASN H 1165 3.445 6.207 2.786 -0.0056 0.2031 -1.4036 + 77ASN CA 1166 3.630 6.276 2.723 0.2060 0.6829 0.5074 + 77ASN HA 1167 3.564 6.336 2.661 -0.5018 -2.0873 -1.6023 + 77ASN CB 1168 3.700 6.367 2.825 -0.0368 -0.0235 -0.0242 + 77ASN HB1 1169 3.785 6.308 2.858 -0.3169 -0.6552 -0.4199 + 77ASN HB2 1170 3.631 6.386 2.907 -1.3154 -0.3011 -0.9974 + 77ASN CG 1171 3.747 6.498 2.759 -0.3650 1.1523 -0.6206 + 77ASN OD1 1172 3.667 6.577 2.723 0.4425 0.7782 0.1340 + 77ASN ND2 1173 3.872 6.528 2.763 -0.6202 0.0012 -0.2409 + 77ASN HD21 1174 3.938 6.459 2.796 -3.4359 -2.2644 0.9842 + 77ASN HD22 1175 3.898 6.613 2.715 0.7790 -0.6102 -0.6371 + 77ASN C 1176 3.714 6.222 2.607 -0.8525 0.7128 -0.1375 + 77ASN O 1177 3.835 6.232 2.610 -0.2128 0.0519 -0.3990 + 78ILE N 1178 3.650 6.153 2.516 -0.2414 0.7439 -0.0522 + 78ILE H 1179 3.550 6.147 2.530 -0.3838 -0.4901 -1.3691 + 78ILE CA 1180 3.714 6.077 2.409 0.0904 0.2791 0.0101 + 78ILE HA 1181 3.816 6.113 2.395 0.6159 -0.4087 1.7616 + 78ILE CB 1182 3.736 5.923 2.438 -0.1527 -0.5931 0.8783 + 78ILE HB 1183 3.745 5.877 2.340 -3.3376 -2.7687 1.4706 + 78ILE CG2 1184 3.867 5.907 2.511 -0.2527 0.7394 0.3702 + 78ILE HG21 1185 3.855 5.955 2.608 -1.8005 -0.1075 0.6336 + 78ILE HG22 1186 3.917 5.810 2.504 1.0557 1.5145 -2.2777 + 78ILE HG23 1187 3.947 5.964 2.464 0.9151 1.1223 2.6497 + 78ILE CG1 1188 3.610 5.856 2.501 -0.0660 -0.4881 -0.8498 + 78ILE HG11 1189 3.520 5.881 2.444 0.2943 3.3629 -0.0340 + 78ILE HG12 1190 3.588 5.896 2.600 -0.8272 -2.0372 -0.3677 + 78ILE CD 1191 3.618 5.705 2.518 0.1792 0.7170 -0.6631 + 78ILE HD1 1192 3.708 5.689 2.576 -0.3096 -0.1349 -0.1139 + 78ILE HD2 1193 3.531 5.667 2.573 0.1958 1.0049 -0.4337 + 78ILE HD3 1194 3.630 5.648 2.426 0.3941 -1.2924 0.5442 + 78ILE C 1195 3.633 6.088 2.279 -0.6121 -0.6069 -0.5943 + 78ILE O 1196 3.510 6.078 2.274 -0.1372 0.4600 0.3307 + 79PRO N 1197 3.706 6.096 2.162 0.6898 -0.1867 0.1019 + 79PRO CD 1198 3.851 6.102 2.140 -0.3114 0.0370 -0.6520 + 79PRO HD1 1199 3.901 6.029 2.204 0.6043 0.6224 -0.6828 + 79PRO HD2 1200 3.887 6.204 2.152 1.7844 -0.3341 -2.9082 + 79PRO CG 1201 3.877 6.063 1.991 0.0849 -0.2985 -0.8326 + 79PRO HG1 1202 3.897 5.956 1.987 0.9810 -0.0999 -2.6908 + 79PRO HG2 1203 3.952 6.121 1.938 -1.2304 1.3638 -0.9190 + 79PRO CB 1204 3.741 6.096 1.928 -0.0329 -0.1032 -0.1735 + 79PRO HB1 1205 3.732 6.029 1.843 -1.4665 1.7652 -1.5684 + 79PRO HB2 1206 3.745 6.201 1.901 -0.9577 0.0555 0.2538 + 79PRO CA 1207 3.636 6.060 2.036 -0.5165 -0.6230 0.8063 + 79PRO HA 1208 3.548 6.122 2.023 0.7784 0.9324 -1.0431 + 79PRO C 1209 3.599 5.914 2.037 -1.1198 0.5009 0.2264 + 79PRO O 1210 3.687 5.830 2.067 -0.5962 -0.3668 -0.1541 + 80CYS N 1211 3.486 5.882 1.980 -0.3710 0.6992 0.1035 + 80CYS H 1212 3.424 5.954 1.947 -0.0811 1.2017 0.6351 + 80CYS CA 1213 3.439 5.742 1.958 -0.5516 0.5123 -0.0870 + 80CYS HA 1214 3.427 5.695 2.055 -1.3268 -0.5820 -0.7039 + 80CYS CB 1215 3.304 5.738 1.889 0.4442 -0.6640 -0.4145 + 80CYS HB1 1216 3.281 5.632 1.882 -0.4076 -0.6911 1.8669 + 80CYS HB2 1217 3.306 5.781 1.789 -0.2014 -0.9980 -0.5759 + 80CYS SG 1218 3.172 5.828 1.987 -0.0900 -0.2674 -0.0361 + 80CYS C 1219 3.539 5.658 1.874 0.6510 -0.2761 0.1008 + 80CYS O 1220 3.556 5.540 1.901 0.0768 0.0833 0.3407 + 81SER N 1221 3.603 5.726 1.776 0.3160 0.1710 0.3865 + 81SER H 1222 3.572 5.818 1.749 0.4296 -0.5679 -2.5915 + 81SER CA 1223 3.704 5.661 1.694 -0.1565 0.4418 -0.3462 + 81SER HA 1224 3.663 5.579 1.635 0.5640 1.0507 -1.7217 + 81SER CB 1225 3.767 5.752 1.586 0.2328 0.1154 -0.2082 + 81SER HB1 1226 3.695 5.782 1.510 0.1055 -1.5850 -0.7945 + 81SER HB2 1227 3.840 5.694 1.529 -1.6554 -1.0757 -1.5328 + 81SER OG 1228 3.837 5.864 1.640 0.6428 0.0338 0.0706 + 81SER HG 1229 3.807 5.950 1.609 2.5400 0.4089 -0.9161 + 81SER C 1230 3.822 5.591 1.779 0.9281 0.2197 -0.4217 + 81SER O 1231 3.883 5.496 1.730 0.0981 -0.1605 -0.1540 + 82ALA N 1232 3.835 5.622 1.911 -0.0253 -0.4853 0.5117 + 82ALA H 1233 3.802 5.713 1.939 0.1061 0.0653 -0.9890 + 82ALA CA 1234 3.941 5.558 1.986 -0.1551 -0.2065 0.0398 + 82ALA HA 1235 4.034 5.572 1.931 -1.2673 0.0971 -1.8384 + 82ALA CB 1236 3.969 5.644 2.118 0.0655 -0.4724 -0.0332 + 82ALA HB1 1237 3.983 5.750 2.098 -3.1454 0.2878 1.1628 + 82ALA HB2 1238 3.892 5.635 2.195 -1.5125 1.9276 -1.1831 + 82ALA HB3 1239 4.068 5.622 2.157 0.7386 1.9237 -0.2637 + 82ALA C 1240 3.906 5.412 2.012 -0.6134 0.4248 -0.1892 + 82ALA O 1241 3.991 5.329 2.028 0.6289 0.3498 0.0448 + 83LEU N 1242 3.781 5.387 2.043 0.4389 -0.4171 0.7851 + 83LEU H 1243 3.712 5.449 2.001 -1.6268 -3.1648 -0.1969 + 83LEU CA 1244 3.728 5.260 2.092 -0.5131 0.1025 1.0883 + 83LEU HA 1245 3.795 5.225 2.171 0.7483 -4.1813 -1.5551 + 83LEU CB 1246 3.582 5.283 2.139 -0.4567 0.2309 -0.4180 + 83LEU HB1 1247 3.532 5.192 2.173 -0.5901 1.1832 2.1306 + 83LEU HB2 1248 3.527 5.309 2.049 -0.1957 -0.2632 -0.7269 + 83LEU CG 1249 3.558 5.396 2.235 -0.3276 -0.4959 0.3924 + 83LEU HG 1250 3.611 5.485 2.200 -1.8503 0.6205 0.8164 + 83LEU CD1 1251 3.426 5.463 2.258 -0.1788 0.3192 0.0411 + 83LEU HD11 1252 3.391 5.520 2.172 -1.1408 2.5183 1.7679 + 83LEU HD12 1253 3.347 5.391 2.280 0.5263 -0.5108 -0.1035 + 83LEU HD13 1254 3.430 5.528 2.346 1.8189 -0.3686 0.5176 + 83LEU CD2 1255 3.617 5.358 2.370 0.6667 1.2923 0.2106 + 83LEU HD21 1256 3.721 5.336 2.348 1.4669 4.1456 0.8165 + 83LEU HD22 1257 3.616 5.440 2.441 -0.4726 -1.4115 3.6170 + 83LEU HD23 1258 3.554 5.280 2.414 -0.9178 0.9503 -2.4361 + 83LEU C 1259 3.727 5.154 1.979 0.1415 0.1437 -0.1900 + 83LEU O 1260 3.716 5.034 2.010 -0.1826 -0.1816 -0.4280 + 84LEU N 1261 3.764 5.195 1.854 0.6748 -0.3787 0.5315 + 84LEU H 1262 3.770 5.295 1.845 3.7623 -0.5131 0.0300 + 84LEU CA 1263 3.778 5.108 1.734 -0.5178 -0.6995 0.2225 + 84LEU HA 1264 3.720 5.015 1.739 0.1496 -1.1182 0.3259 + 84LEU CB 1265 3.724 5.179 1.610 -0.6596 0.2708 0.0808 + 84LEU HB1 1266 3.750 5.124 1.519 -1.0955 -1.8325 1.1886 + 84LEU HB2 1267 3.779 5.272 1.593 -1.6479 0.8122 -0.2318 + 84LEU CG 1268 3.577 5.219 1.620 -0.2041 0.1657 -1.0619 + 84LEU HG 1269 3.557 5.275 1.711 0.7398 -1.0767 -0.0621 + 84LEU CD1 1270 3.541 5.330 1.523 -0.2787 0.3222 0.5419 + 84LEU HD11 1271 3.610 5.413 1.538 -0.4803 0.5654 0.1459 + 84LEU HD12 1272 3.540 5.285 1.424 0.0845 1.5585 -0.0406 + 84LEU HD13 1273 3.445 5.377 1.545 -1.1078 -0.3345 -1.4665 + 84LEU CD2 1274 3.479 5.100 1.611 0.2366 -0.6570 0.8581 + 84LEU HD21 1275 3.379 5.142 1.626 0.5174 -0.2973 1.8121 + 84LEU HD22 1276 3.496 5.053 1.515 0.5114 2.3527 -0.6846 + 84LEU HD23 1277 3.507 5.034 1.693 4.8231 0.7135 0.6716 + 84LEU C 1278 3.923 5.058 1.726 0.3676 0.2157 0.4491 + 84LEU O 1279 3.950 4.972 1.638 -0.5105 -0.2614 0.5906 + 85SER N 1280 4.017 5.094 1.811 -0.2702 -0.4228 -0.2199 + 85SER H 1281 4.000 5.180 1.861 -0.3407 -0.2086 -0.6092 + 85SER CA 1282 4.158 5.057 1.809 0.7616 0.2225 0.6313 + 85SER HA 1283 4.197 5.088 1.712 1.7808 -0.1572 0.9070 + 85SER CB 1284 4.227 5.134 1.919 0.4894 -0.6336 -0.1832 + 85SER HB1 1285 4.180 5.106 2.013 -1.6580 1.2612 -0.5956 + 85SER HB2 1286 4.209 5.242 1.914 -2.1959 -1.0443 -0.6489 + 85SER OG 1287 4.364 5.103 1.924 -0.2719 0.0616 -0.3863 + 85SER HG 1288 4.408 5.183 1.954 -1.4069 0.8541 -0.7434 + 85SER C 1289 4.177 4.911 1.829 0.1931 0.6157 -0.2222 + 85SER O 1290 4.096 4.845 1.893 0.0858 -0.3999 0.3832 + 86SER N 1291 4.290 4.859 1.778 -0.4491 -0.4791 0.1191 + 86SER H 1292 4.355 4.922 1.733 0.1200 -1.2147 -0.1103 + 86SER CA 1293 4.335 4.722 1.807 -0.0764 0.2976 0.2322 + 86SER HA 1294 4.245 4.662 1.792 0.4197 -0.3344 -0.2606 + 86SER CB 1295 4.443 4.675 1.710 -0.9577 -0.1357 -0.0725 + 86SER HB1 1296 4.493 4.580 1.730 -1.2493 -0.4048 -0.5915 + 86SER HB2 1297 4.529 4.742 1.703 0.6087 -2.1457 -1.4305 + 86SER OG 1298 4.387 4.671 1.577 0.6241 -0.4684 0.3990 + 86SER HG 1299 4.459 4.636 1.524 -0.1422 -1.6392 0.0931 + 86SER C 1300 4.382 4.714 1.950 -0.0381 0.3083 0.3828 + 86SER O 1301 4.386 4.603 2.000 0.1295 -0.1360 0.5003 + 87ASP N 1302 4.410 4.831 2.013 -0.1605 0.2054 -0.3618 + 87ASP H 1303 4.383 4.915 1.964 0.2118 -0.2070 -1.2976 + 87ASP CA 1304 4.446 4.840 2.151 0.2779 0.0997 0.4757 + 87ASP HA 1305 4.492 4.746 2.182 -0.1515 0.2641 1.6813 + 87ASP CB 1306 4.549 4.950 2.174 -0.0443 -0.1592 -1.0799 + 87ASP HB1 1307 4.496 5.045 2.165 -2.2274 -1.2970 -1.0206 + 87ASP HB2 1308 4.623 4.942 2.095 0.5160 -1.0924 -0.4907 + 87ASP CG 1309 4.614 4.959 2.314 0.1794 0.0393 0.2674 + 87ASP OD1 1310 4.535 4.930 2.409 0.2266 0.8042 1.0442 + 87ASP OD2 1311 4.733 4.983 2.336 -0.2835 -0.0090 0.3785 + 87ASP C 1312 4.318 4.864 2.232 -0.5751 -0.0358 0.2307 + 87ASP O 1313 4.247 4.963 2.209 0.5687 -0.0145 0.1724 + 88ILE N 1314 4.296 4.779 2.337 -0.0299 0.4546 -0.3140 + 88ILE H 1315 4.359 4.700 2.346 -3.1216 -2.2294 -0.6884 + 88ILE CA 1316 4.171 4.789 2.420 -0.0874 -0.3962 0.5304 + 88ILE HA 1317 4.091 4.822 2.354 0.7798 -0.7215 -0.7178 + 88ILE CB 1318 4.133 4.649 2.475 -0.5480 -0.4255 0.0525 + 88ILE HB 1319 4.045 4.661 2.538 1.5107 1.3820 2.8605 + 88ILE CG2 1320 4.103 4.562 2.351 -0.3032 0.1068 -0.3912 + 88ILE HG21 1321 4.065 4.463 2.375 0.9224 -0.1141 0.7437 + 88ILE HG22 1322 4.030 4.622 2.296 -0.2058 2.0936 1.5109 + 88ILE HG23 1323 4.201 4.549 2.305 1.2844 0.2807 2.7417 + 88ILE CG1 1324 4.236 4.599 2.572 0.2075 0.2351 -0.1157 + 88ILE HG11 1325 4.270 4.675 2.643 -0.2000 -1.0401 1.5155 + 88ILE HG12 1326 4.328 4.576 2.519 1.2253 1.4704 1.0349 + 88ILE CD 1327 4.195 4.473 2.652 -0.2206 0.2742 0.0923 + 88ILE HD1 1328 4.101 4.502 2.698 -1.2443 -1.1714 -1.0119 + 88ILE HD2 1329 4.182 4.388 2.586 -1.8925 -0.4767 1.3234 + 88ILE HD3 1330 4.264 4.462 2.737 -1.6185 -0.7737 1.1384 + 88ILE C 1331 4.182 4.896 2.531 0.8951 0.2742 0.3684 + 88ILE O 1332 4.088 4.907 2.606 0.0917 -0.1457 0.0766 + 89THR N 1333 4.293 4.968 2.546 0.0042 0.4114 -0.3313 + 89THR H 1334 4.362 4.949 2.474 -2.0004 -1.1501 -1.9660 + 89THR CA 1335 4.320 5.072 2.650 -0.3740 -0.5319 0.1299 + 89THR HA 1336 4.335 5.031 2.750 -1.1853 1.2967 1.0507 + 89THR CB 1337 4.442 5.154 2.613 -0.2868 -0.5657 0.6084 + 89THR HB 1338 4.429 5.197 2.513 0.0593 -1.6896 0.0666 + 89THR CG2 1339 4.472 5.266 2.710 0.0875 -0.2130 0.6538 + 89THR HG21 1340 4.491 5.226 2.809 0.3571 -0.9406 0.3240 + 89THR HG22 1341 4.550 5.338 2.683 -0.8587 0.7619 0.4665 + 89THR HG23 1342 4.388 5.335 2.714 1.2300 1.1897 1.0557 + 89THR OG1 1343 4.555 5.072 2.617 0.2233 -0.8590 -0.3201 + 89THR HG1 1344 4.552 5.012 2.542 0.3414 -1.9072 0.4982 + 89THR C 1345 4.203 5.166 2.666 0.7219 -0.6862 0.4204 + 89THR O 1346 4.150 5.184 2.778 0.5582 0.2128 -0.1592 + 90ALA N 1347 4.156 5.238 2.559 0.2852 0.3096 -0.9663 + 90ALA H 1348 4.203 5.226 2.470 0.8124 -0.3508 -0.6049 + 90ALA CA 1349 4.050 5.341 2.577 0.1178 -0.6677 0.4676 + 90ALA HA 1350 4.076 5.423 2.645 1.6197 -0.0434 -0.7881 + 90ALA CB 1351 4.045 5.398 2.435 0.1613 -0.1820 -0.7719 + 90ALA HB1 1352 4.140 5.436 2.397 0.1614 0.4995 -0.1320 + 90ALA HB2 1353 4.013 5.327 2.359 0.1769 -1.3623 0.2938 + 90ALA HB3 1354 3.982 5.487 2.439 0.3378 -0.0269 3.0938 + 90ALA C 1355 3.907 5.284 2.613 0.3801 -0.0004 -0.3898 + 90ALA O 1356 3.827 5.339 2.691 -0.4494 -0.1470 -0.1194 + 91SER N 1357 3.877 5.166 2.559 -0.3528 -0.0974 -0.6160 + 91SER H 1358 3.943 5.133 2.490 1.2814 0.0098 0.8495 + 91SER CA 1359 3.753 5.096 2.595 -0.6616 0.4917 0.5706 + 91SER HA 1360 3.667 5.163 2.604 0.2828 1.6365 1.5199 + 91SER CB 1361 3.714 4.988 2.499 -0.3686 0.9032 -1.2384 + 91SER HB1 1362 3.611 4.960 2.523 0.1455 0.7354 1.0022 + 91SER HB2 1363 3.779 4.901 2.511 -1.1953 0.0603 -2.5740 + 91SER OG 1364 3.721 5.035 2.372 0.5455 -0.3668 0.7119 + 91SER HG 1365 3.809 5.033 2.335 -0.2141 -0.0270 -1.2490 + 91SER C 1366 3.760 5.037 2.734 0.3377 0.5910 0.3914 + 91SER O 1367 3.652 5.031 2.805 -0.4528 0.6653 0.0324 + 92VAL N 1368 3.877 4.995 2.784 -0.4334 0.7310 -0.1881 + 92VAL H 1369 3.961 4.994 2.727 1.0694 2.4310 1.8343 + 92VAL CA 1370 3.891 4.969 2.929 0.5822 -0.2739 -0.8905 + 92VAL HA 1371 3.807 4.906 2.958 -0.2303 1.4914 0.8181 + 92VAL CB 1372 4.021 4.897 2.959 -0.7172 -0.7347 0.0965 + 92VAL HB 1373 4.110 4.950 2.926 -0.2840 -0.3081 1.8496 + 92VAL CG1 1374 4.040 4.885 3.103 -0.5069 -0.0215 0.2032 + 92VAL HG11 1375 4.094 4.972 3.140 0.7989 -0.6856 -0.0517 + 92VAL HG12 1376 3.945 4.870 3.154 -0.3042 1.3986 1.0570 + 92VAL HG13 1377 4.105 4.800 3.125 1.3698 0.5849 -2.4207 + 92VAL CG2 1378 4.023 4.762 2.892 0.0899 -0.6214 -0.4730 + 92VAL HG21 1379 3.938 4.699 2.918 0.8553 -1.2977 0.4338 + 92VAL HG22 1380 4.020 4.783 2.785 -1.3509 -0.0687 -0.3496 + 92VAL HG23 1381 4.111 4.702 2.915 -0.5116 -1.0587 0.7658 + 92VAL C 1382 3.880 5.093 3.024 -0.2117 0.6305 -0.3288 + 92VAL O 1383 3.806 5.099 3.118 0.2702 -0.2390 -0.2117 + 93ASN N 1384 3.943 5.208 2.982 -0.3233 0.1962 -0.2732 + 93ASN H 1385 4.003 5.201 2.901 0.9196 0.4707 0.5982 + 93ASN CA 1386 3.943 5.330 3.056 0.4676 0.1364 -0.2258 + 93ASN HA 1387 3.977 5.313 3.158 2.6792 1.4560 -0.6536 + 93ASN CB 1388 4.041 5.429 3.001 0.5792 0.3182 -0.0528 + 93ASN HB1 1389 4.012 5.528 3.036 2.7020 0.6337 0.9742 + 93ASN HB2 1390 4.044 5.416 2.893 -0.4559 -1.2141 0.0864 + 93ASN CG 1391 4.189 5.411 3.039 0.6962 -0.8651 -0.9169 + 93ASN OD1 1392 4.279 5.432 2.961 0.1365 -0.4986 0.1513 + 93ASN ND2 1393 4.217 5.401 3.168 0.7890 -0.2381 0.1599 + 93ASN HD21 1394 4.132 5.412 3.220 0.0020 -0.0814 -1.1233 + 93ASN HD22 1395 4.306 5.439 3.199 1.1342 -0.9375 0.0552 + 93ASN C 1396 3.797 5.388 3.067 0.9874 -0.2045 0.2936 + 93ASN O 1397 3.750 5.426 3.177 -0.0859 -0.0126 0.2145 + 94CYS N 1398 3.723 5.389 2.952 0.9564 -0.0425 -0.1560 + 94CYS H 1399 3.764 5.349 2.870 0.0627 -2.3420 0.4583 + 94CYS CA 1400 3.581 5.432 2.954 -0.5845 0.6589 -0.0669 + 94CYS HA 1401 3.576 5.529 3.003 1.1535 1.4956 -1.4117 + 94CYS CB 1402 3.537 5.447 2.808 0.2724 -0.3318 0.5404 + 94CYS HB1 1403 3.537 5.351 2.756 1.2497 1.4021 -3.0362 + 94CYS HB2 1404 3.613 5.505 2.754 -1.2557 0.2219 -1.1175 + 94CYS SG 1405 3.376 5.532 2.800 0.1835 0.2997 -0.0699 + 94CYS C 1406 3.495 5.324 3.029 1.0108 0.8530 0.9793 + 94CYS O 1407 3.419 5.365 3.113 0.2145 -0.3975 0.0907 + 95ALA N 1408 3.514 5.195 3.011 0.1147 -0.2540 0.0682 + 95ALA H 1409 3.554 5.162 2.924 -0.7186 1.5427 -1.0472 + 95ALA CA 1410 3.444 5.097 3.094 0.7136 0.1081 -1.1246 + 95ALA HA 1411 3.339 5.114 3.074 0.3095 -2.8211 -1.9606 + 95ALA CB 1412 3.474 4.959 3.041 0.2983 -0.2331 -0.4298 + 95ALA HB1 1413 3.581 4.937 3.047 -0.1077 -2.0057 3.1712 + 95ALA HB2 1414 3.418 4.896 3.110 0.1461 1.1851 0.7774 + 95ALA HB3 1415 3.435 4.947 2.940 0.1354 1.5079 -0.6005 + 95ALA C 1416 3.460 5.103 3.247 0.2799 -0.1935 -0.4843 + 95ALA O 1417 3.360 5.090 3.319 -0.1723 0.7404 0.5514 + 96LYS N 1418 3.579 5.128 3.301 0.3445 0.2973 -0.1509 + 96LYS H 1419 3.648 5.150 3.231 0.3297 -1.7316 -0.8619 + 96LYS CA 1420 3.603 5.169 3.438 -0.3132 -0.4824 0.1246 + 96LYS HA 1421 3.569 5.088 3.502 -2.0720 -0.8388 -1.1890 + 96LYS CB 1422 3.754 5.194 3.463 -0.1766 -0.5414 0.1462 + 96LYS HB1 1423 3.765 5.232 3.565 1.6589 -0.3965 -0.0649 + 96LYS HB2 1424 3.790 5.266 3.390 3.0941 -3.1227 -1.0875 + 96LYS CG 1425 3.842 5.066 3.446 -0.0230 -0.7532 0.3551 + 96LYS HG1 1426 3.842 5.032 3.342 -3.0274 -2.4169 0.7884 + 96LYS HG2 1427 3.790 4.989 3.503 -0.9401 1.6294 2.9345 + 96LYS CD 1428 3.985 5.091 3.497 0.0197 0.3640 -0.2461 + 96LYS HD1 1429 3.982 5.120 3.602 0.9232 0.7528 -0.3234 + 96LYS HD2 1430 4.034 5.171 3.442 1.3255 -0.9148 -0.9995 + 96LYS CE 1431 4.067 4.958 3.481 0.1749 -0.5814 0.1089 + 96LYS HE1 1432 4.060 4.921 3.379 -0.7321 -0.2851 0.0512 + 96LYS HE2 1433 4.036 4.888 3.559 1.2053 0.0954 1.1568 + 96LYS NZ 1434 4.206 4.986 3.507 -0.1032 -0.4525 0.0838 + 96LYS HZ1 1435 4.257 4.936 3.435 0.9889 -1.0718 1.2667 + 96LYS HZ2 1436 4.232 5.082 3.489 0.3428 -0.8400 -1.5583 + 96LYS HZ3 1437 4.228 4.964 3.602 -1.4655 1.4036 0.8971 + 96LYS C 1438 3.518 5.285 3.483 0.1890 -0.0985 -0.1980 + 96LYS O 1439 3.442 5.271 3.582 -0.2482 0.4033 -0.2667 + 97LYS N 1440 3.518 5.399 3.415 0.2269 -0.0290 0.2547 + 97LYS H 1441 3.594 5.411 3.349 -1.0565 0.5267 -1.1989 + 97LYS CA 1442 3.410 5.503 3.427 0.3612 -0.3382 -0.2760 + 97LYS HA 1443 3.423 5.555 3.522 -2.3255 -1.0587 0.5902 + 97LYS CB 1444 3.444 5.624 3.340 -0.1169 -0.0368 0.2609 + 97LYS HB1 1445 3.373 5.704 3.364 1.2918 0.5806 2.6898 + 97LYS HB2 1446 3.431 5.588 3.238 2.4662 1.9858 -0.8909 + 97LYS CG 1447 3.585 5.685 3.344 0.5517 -0.2334 -0.4110 + 97LYS HG1 1448 3.661 5.608 3.330 0.7692 0.1424 -1.4444 + 97LYS HG2 1449 3.597 5.722 3.445 2.4556 2.6522 -1.5652 + 97LYS CD 1450 3.607 5.795 3.246 0.3548 -0.0171 -0.7344 + 97LYS HD1 1451 3.545 5.879 3.279 0.0102 -0.0140 -1.3832 + 97LYS HD2 1452 3.578 5.760 3.148 1.1765 -0.2220 -0.9102 + 97LYS CE 1453 3.753 5.835 3.239 -0.2681 -0.0076 0.2221 + 97LYS HE1 1454 3.821 5.752 3.220 1.9175 1.2850 1.9318 + 97LYS HE2 1455 3.770 5.870 3.341 -0.8958 0.8951 0.0272 + 97LYS NZ 1456 3.782 5.955 3.164 0.0531 -0.1766 -0.5053 + 97LYS HZ1 1457 3.714 6.021 3.199 -2.9076 -3.1046 -0.2401 + 97LYS HZ2 1458 3.876 5.989 3.173 0.7299 -1.9865 -0.2963 + 97LYS HZ3 1459 3.765 5.940 3.065 -2.0696 -0.0321 -0.2179 + 97LYS C 1460 3.260 5.453 3.433 -0.5507 -0.2898 0.4554 + 97LYS O 1461 3.190 5.466 3.532 -0.2344 0.4594 -0.1603 + 98ILE N 1462 3.210 5.397 3.325 0.1599 -0.1118 0.5834 + 98ILE H 1463 3.276 5.387 3.249 0.5744 -0.0081 0.9282 + 98ILE CA 1464 3.072 5.351 3.299 1.0133 -0.5729 0.1287 + 98ILE HA 1465 3.001 5.434 3.301 0.0631 -1.3337 2.4659 + 98ILE CB 1466 3.066 5.266 3.173 0.1776 0.2160 -0.5479 + 98ILE HB 1467 3.142 5.190 3.187 -0.4336 -0.1798 0.8916 + 98ILE CG2 1468 2.927 5.197 3.149 0.1563 0.4842 -0.2827 + 98ILE HG21 1469 2.921 5.135 3.060 1.4055 -0.0197 -0.0471 + 98ILE HG22 1470 2.914 5.125 3.230 -1.5066 -1.6500 -2.3038 + 98ILE HG23 1471 2.844 5.266 3.155 0.7112 1.1105 0.3786 + 98ILE CG1 1472 3.080 5.360 3.050 -0.3888 0.0456 0.8267 + 98ILE HG11 1473 3.162 5.429 3.074 1.6494 -2.1014 0.4345 + 98ILE HG12 1474 2.995 5.426 3.040 0.5563 0.9767 -2.1789 + 98ILE CD 1475 3.108 5.296 2.913 0.3997 0.4310 0.2774 + 98ILE HD1 1476 3.080 5.370 2.838 -2.1623 -0.3634 0.3766 + 98ILE HD2 1477 3.213 5.271 2.896 1.2080 1.5483 2.9925 + 98ILE HD3 1478 3.059 5.199 2.899 2.1997 -0.3478 -1.0939 + 98ILE C 1479 3.023 5.260 3.408 -0.2554 -0.0312 0.2671 + 98ILE O 1480 2.915 5.282 3.459 0.7265 -0.1911 -0.2887 + 99VAL N 1481 3.108 5.168 3.457 -0.0051 0.2414 0.5144 + 99VAL H 1482 3.201 5.164 3.421 -0.4805 0.8782 -0.8289 + 99VAL CA 1483 3.081 5.062 3.561 0.8391 0.5586 -0.2102 + 99VAL HA 1484 2.979 5.025 3.549 0.4429 1.4292 0.3968 + 99VAL CB 1485 3.177 4.944 3.542 -0.7941 0.0843 -0.3623 + 99VAL HB 1486 3.177 4.938 3.433 -0.5327 -1.3637 -0.3120 + 99VAL CG1 1487 3.317 4.956 3.601 -0.3745 -0.5789 -0.5278 + 99VAL HG11 1488 3.383 4.875 3.567 -0.6951 -1.7499 1.4797 + 99VAL HG12 1489 3.368 5.043 3.559 -1.3029 0.0472 -0.3759 + 99VAL HG13 1490 3.312 4.983 3.706 -1.3440 -0.1690 -0.6771 + 99VAL CG2 1491 3.112 4.813 3.591 -0.1996 -0.1278 0.3444 + 99VAL HG21 1492 3.174 4.725 3.577 -0.6116 -0.1401 -1.7863 + 99VAL HG22 1493 3.087 4.823 3.697 -0.6488 -0.6703 0.2953 + 99VAL HG23 1494 3.020 4.788 3.538 1.4133 -0.6660 -2.3439 + 99VAL C 1495 3.084 5.126 3.707 0.4952 -0.4146 -0.1006 + 99VAL O 1496 3.039 5.063 3.801 -0.0235 0.0554 -0.8127 + 100SER N 1497 3.123 5.252 3.716 0.0970 0.2098 0.0018 + 100SER H 1498 3.151 5.295 3.629 -1.5996 -0.3982 -0.8738 + 100SER CA 1499 3.137 5.331 3.837 0.2565 -0.2409 -0.9868 + 100SER HA 1500 3.119 5.265 3.921 0.6368 -0.5828 -1.1681 + 100SER CB 1501 3.278 5.387 3.849 0.7421 0.9626 -0.5022 + 100SER HB1 1502 3.295 5.420 3.952 -3.1867 -2.5498 1.5707 + 100SER HB2 1503 3.289 5.461 3.770 2.0548 -1.0256 -2.2712 + 100SER OG 1504 3.372 5.280 3.828 -0.0746 -0.1742 0.0880 + 100SER HG 1505 3.376 5.277 3.732 0.4272 1.4332 0.0277 + 100SER C 1506 3.028 5.440 3.860 0.1819 -0.2634 0.5839 + 100SER O 1507 3.035 5.514 3.956 -0.5647 -0.7284 0.1295 + 101ASP N 1508 2.940 5.456 3.761 0.0631 -0.6744 0.0201 + 101ASP H 1509 2.920 5.379 3.699 -0.2975 -1.2457 0.8306 + 101ASP CA 1510 2.848 5.570 3.751 0.7142 -0.1870 -0.3220 + 101ASP HA 1511 2.892 5.663 3.787 -0.6697 0.7664 -0.9905 + 101ASP CB 1512 2.811 5.576 3.600 0.8359 0.6033 -0.0721 + 101ASP HB1 1513 2.773 5.480 3.565 1.2656 -0.1404 1.4050 + 101ASP HB2 1514 2.898 5.603 3.540 -1.4557 2.0038 -3.0435 + 101ASP CG 1515 2.720 5.693 3.569 -0.2030 0.2154 -0.5998 + 101ASP OD1 1516 2.757 5.812 3.576 -0.2985 0.1785 -0.2949 + 101ASP OD2 1517 2.604 5.669 3.536 0.0749 0.3133 -0.0392 + 101ASP C 1518 2.719 5.541 3.840 0.2701 0.1203 -0.1959 + 101ASP O 1519 2.643 5.634 3.856 0.2474 0.2325 -0.1409 + 102GLY N 1520 2.690 5.422 3.886 -0.2146 0.0529 -0.2310 + 102GLY H 1521 2.752 5.350 3.852 0.9518 1.0486 -0.2929 + 102GLY CA 1522 2.572 5.393 3.962 -0.1254 0.3498 -0.1777 + 102GLY HA1 1523 2.497 5.459 3.919 -0.8386 -0.5916 -0.4261 + 102GLY HA2 1524 2.599 5.407 4.066 2.4227 -0.3920 -0.6471 + 102GLY C 1525 2.526 5.249 3.946 0.6135 0.5281 0.6400 + 102GLY O 1526 2.544 5.169 4.040 -0.4855 0.1900 -0.0483 + 103ASN N 1527 2.476 5.209 3.830 0.8927 0.0631 -0.5765 + 103ASN H 1528 2.465 5.277 3.756 1.2890 1.6677 0.7861 + 103ASN CA 1529 2.417 5.078 3.806 0.0461 0.2959 0.3510 + 103ASN HA 1530 2.363 5.059 3.899 -1.7090 3.0157 0.0121 + 103ASN CB 1531 2.308 5.095 3.705 -0.3149 -0.6399 -0.5078 + 103ASN HB1 1532 2.344 5.101 3.602 0.2146 -0.6319 -0.3289 + 103ASN HB2 1533 2.260 5.188 3.735 1.9496 -0.4199 3.0383 + 103ASN CG 1534 2.204 4.987 3.708 0.5613 0.6003 -0.3382 + 103ASN OD1 1535 2.208 4.899 3.793 0.2861 0.3015 0.0159 + 103ASN ND2 1536 2.117 4.995 3.614 -0.1688 0.4596 0.2148 + 103ASN HD21 1537 2.131 5.063 3.540 0.0299 -0.2151 -0.3781 + 103ASN HD22 1538 2.030 4.944 3.617 -0.6765 1.3186 0.4655 + 103ASN C 1539 2.512 4.965 3.780 -0.5306 0.1494 -0.5657 + 103ASN O 1540 2.477 4.856 3.736 0.1495 -0.7131 -0.6031 + 104GLY N 1541 2.643 4.986 3.800 -0.3435 0.1719 0.0995 + 104GLY H 1542 2.679 5.066 3.850 -3.6514 1.0795 1.2315 + 104GLY CA 1543 2.745 4.882 3.773 -0.4648 -0.6156 0.1792 + 104GLY HA1 1544 2.714 4.793 3.828 2.0094 -2.0582 -0.6195 + 104GLY HA2 1545 2.838 4.914 3.820 -1.2865 -0.3303 1.6696 + 104GLY C 1546 2.759 4.831 3.634 -0.1080 0.1258 -0.6350 + 104GLY O 1547 2.768 4.913 3.545 0.4592 -0.4940 0.3902 + 105MET N 1548 2.771 4.696 3.608 -0.2559 0.3567 0.1621 + 105MET H 1549 2.758 4.636 3.688 -1.0812 -0.5045 -0.6016 + 105MET CA 1550 2.770 4.630 3.469 0.5489 -0.6388 0.4707 + 105MET HA 1551 2.833 4.687 3.401 0.2591 -1.1228 -0.2150 + 105MET CB 1552 2.838 4.488 3.470 0.8117 0.2137 0.9406 + 105MET HB1 1553 2.826 4.444 3.371 1.8242 -0.8473 1.2708 + 105MET HB2 1554 2.798 4.433 3.555 1.7103 2.1890 2.7118 + 105MET CG 1555 2.989 4.489 3.479 -0.2757 -0.6515 -0.1298 + 105MET HG1 1556 3.005 4.487 3.587 -3.3550 -0.6201 0.4188 + 105MET HG2 1557 3.028 4.579 3.431 -1.9548 0.4324 0.4357 + 105MET SD 1558 3.079 4.343 3.411 0.4254 -0.6689 -0.5931 + 105MET CE 1559 3.059 4.350 3.231 0.2279 0.4082 -0.4331 + 105MET HE1 1560 3.085 4.253 3.190 -3.0793 -0.4265 -0.8243 + 105MET HE2 1561 2.953 4.348 3.209 0.0621 1.0964 0.2528 + 105MET HE3 1562 3.110 4.433 3.181 0.6202 -0.4832 -1.5605 + 105MET C 1563 2.637 4.625 3.401 0.2173 -0.0793 0.0741 + 105MET O 1564 2.630 4.586 3.283 -0.0337 0.0770 0.0363 + 106ASN N 1565 2.531 4.660 3.469 -0.0301 -0.5211 -0.5163 + 106ASN H 1566 2.551 4.687 3.564 0.8989 1.4421 -1.2022 + 106ASN CA 1567 2.396 4.673 3.414 -0.1134 0.3684 0.9213 + 106ASN HA 1568 2.373 4.577 3.367 0.2011 0.5941 0.2908 + 106ASN CB 1569 2.284 4.699 3.521 0.4746 -0.4070 -0.1131 + 106ASN HB1 1570 2.187 4.709 3.472 0.2011 0.3925 0.5663 + 106ASN HB2 1571 2.304 4.796 3.567 3.1747 -0.2120 -1.5046 + 106ASN CG 1572 2.269 4.595 3.622 -0.0208 0.2162 0.0505 + 106ASN OD1 1573 2.205 4.491 3.599 -0.3438 -0.4124 -0.4380 + 106ASN ND2 1574 2.333 4.615 3.734 -0.3501 -0.0993 0.8888 + 106ASN HD21 1575 2.373 4.707 3.750 0.7274 -0.8926 3.2235 + 106ASN HD22 1576 2.324 4.551 3.811 0.4671 -0.2202 0.8924 + 106ASN C 1577 2.388 4.782 3.305 -0.6914 0.2251 0.4028 + 106ASN O 1578 2.293 4.773 3.225 0.6084 -0.2127 -0.0215 + 107ALA N 1579 2.497 4.866 3.285 0.8144 -0.1834 -0.4190 + 107ALA H 1580 2.564 4.881 3.359 2.2144 2.0596 -2.0351 + 107ALA CA 1581 2.499 4.950 3.166 -0.2569 -0.1618 -0.4406 + 107ALA HA 1582 2.406 5.003 3.149 0.4709 0.5969 -2.3236 + 107ALA CB 1583 2.608 5.067 3.184 0.5901 -0.3596 0.3806 + 107ALA HB1 1584 2.609 5.140 3.103 3.7577 1.2445 1.7144 + 107ALA HB2 1585 2.595 5.121 3.278 -2.3807 -1.2092 0.5636 + 107ALA HB3 1586 2.706 5.020 3.185 0.4252 -0.7308 -0.1951 + 107ALA C 1587 2.515 4.867 3.038 -0.3671 -0.0155 0.5659 + 107ALA O 1588 2.488 4.923 2.931 -0.4525 -0.0621 0.5242 + 108TRP N 1589 2.542 4.740 3.032 1.0455 0.9525 -0.2875 + 108TRP H 1590 2.572 4.696 3.118 -0.6868 -1.8309 -0.9524 + 108TRP CA 1591 2.539 4.656 2.916 -0.3521 -0.2861 0.4052 + 108TRP HA 1592 2.532 4.716 2.826 -0.8211 1.2262 1.4139 + 108TRP CB 1593 2.674 4.580 2.897 -0.1987 0.1491 -0.0087 + 108TRP HB1 1594 2.665 4.507 2.817 1.0380 0.2373 -0.2467 + 108TRP HB2 1595 2.692 4.530 2.992 -0.2211 1.0358 0.4681 + 108TRP CG 1596 2.792 4.669 2.880 1.1086 -0.3848 0.5329 + 108TRP CD1 1597 2.841 4.701 2.754 -0.2103 0.5717 0.2253 + 108TRP HD1 1598 2.796 4.681 2.658 -0.8245 1.6104 0.2680 + 108TRP NE1 1599 2.944 4.791 2.772 0.2009 0.9569 0.1592 + 108TRP HE1 1600 2.994 4.830 2.693 -2.1390 2.0353 -0.8902 + 108TRP CE2 1601 2.976 4.812 2.905 -0.4343 -0.4277 0.3629 + 108TRP CZ2 1602 3.085 4.875 2.967 0.0742 0.2289 -0.2218 + 108TRP HZ2 1603 3.167 4.923 2.916 0.5264 -2.2210 -2.0035 + 108TRP CH2 1604 3.087 4.883 3.108 0.1959 -0.2433 0.3228 + 108TRP HH2 1605 3.159 4.943 3.162 0.3237 -0.1286 0.0303 + 108TRP CZ3 1606 2.982 4.818 3.179 -0.1705 -0.0042 -0.3438 + 108TRP HZ3 1607 2.972 4.825 3.287 -2.6813 -2.3991 -0.3407 + 108TRP CE3 1608 2.885 4.743 3.111 0.7454 -0.4763 -0.6071 + 108TRP HE3 1609 2.808 4.696 3.170 1.8765 -1.3668 0.1955 + 108TRP CD2 1610 2.873 4.744 2.975 -0.3652 -0.1964 -0.3532 + 108TRP C 1611 2.427 4.558 2.917 0.0339 0.0260 -0.7867 + 108TRP O 1612 2.423 4.470 3.008 -0.4448 -0.3720 0.5506 + 109VAL N 1613 2.339 4.572 2.817 0.5522 -0.3086 0.1319 + 109VAL H 1614 2.348 4.656 2.762 1.9370 -0.1089 0.6034 + 109VAL CA 1615 2.216 4.486 2.800 0.2868 -0.7930 -0.0468 + 109VAL HA 1616 2.157 4.482 2.892 0.4824 2.9958 0.4005 + 109VAL CB 1617 2.115 4.540 2.695 0.1753 -0.0066 -0.1060 + 109VAL HB 1618 2.079 4.640 2.721 -0.0687 -0.9731 3.9498 + 109VAL CG1 1619 2.173 4.563 2.550 0.4944 -0.2654 -0.5457 + 109VAL HG11 1620 2.096 4.597 2.480 0.9629 0.6851 -0.6159 + 109VAL HG12 1621 2.248 4.641 2.551 -0.5421 0.7527 0.2345 + 109VAL HG13 1622 2.209 4.468 2.510 2.4110 0.6522 -1.1209 + 109VAL CG2 1623 1.989 4.461 2.687 0.9970 0.5611 0.8076 + 109VAL HG21 1624 1.936 4.456 2.782 1.3334 0.3919 0.9860 + 109VAL HG22 1625 1.922 4.511 2.617 1.4549 -0.1889 -0.1887 + 109VAL HG23 1626 2.001 4.358 2.655 0.2116 0.7593 -0.1953 + 109VAL C 1627 2.250 4.344 2.759 0.0493 0.0889 -0.0041 + 109VAL O 1628 2.186 4.250 2.814 -0.2396 0.2009 -0.2956 + 110ALA N 1629 2.350 4.314 2.671 -0.1955 0.3161 -0.7106 + 110ALA H 1630 2.395 4.391 2.623 -2.3703 2.0961 -0.1030 + 110ALA CA 1631 2.400 4.173 2.658 0.6308 -0.6612 -0.1382 + 110ALA HA 1632 2.309 4.116 2.641 0.9182 -1.3616 0.6343 + 110ALA CB 1633 2.496 4.166 2.545 0.4286 0.2148 0.0306 + 110ALA HB1 1634 2.490 4.066 2.503 -1.3470 0.9561 -1.6407 + 110ALA HB2 1635 2.468 4.241 2.471 1.5113 1.4375 0.8208 + 110ALA HB3 1636 2.596 4.184 2.584 2.1495 -1.7836 -3.1036 + 110ALA C 1637 2.452 4.114 2.785 0.3404 0.1551 -0.4183 + 110ALA O 1638 2.435 3.997 2.812 -0.1879 -0.3533 0.2149 + 111TRP N 1639 2.523 4.194 2.873 -0.2617 0.0615 0.1233 + 111TRP H 1640 2.557 4.284 2.843 0.2323 0.1639 0.9467 + 111TRP CA 1641 2.569 4.141 3.004 0.2945 0.0519 0.5736 + 111TRP HA 1642 2.623 4.048 2.987 0.8799 0.6468 -1.0291 + 111TRP CB 1643 2.671 4.240 3.069 -0.1566 0.6443 -0.0254 + 111TRP HB1 1644 2.631 4.341 3.080 -0.6939 0.3075 1.3549 + 111TRP HB2 1645 2.761 4.235 3.009 -0.1431 0.1678 0.0318 + 111TRP CG 1646 2.710 4.183 3.208 0.3094 0.3079 -0.0849 + 111TRP CD1 1647 2.816 4.100 3.240 0.3932 0.4942 -0.0151 + 111TRP HD1 1648 2.873 4.053 3.160 -0.1658 0.9726 -0.7087 + 111TRP NE1 1649 2.814 4.066 3.376 -0.2451 0.3915 0.6497 + 111TRP HE1 1650 2.890 4.017 3.420 1.8380 1.9459 -0.9679 + 111TRP CE2 1651 2.720 4.138 3.443 0.1764 0.0398 0.0297 + 111TRP CZ2 1652 2.679 4.136 3.577 -0.7703 0.1544 -0.2883 + 111TRP HZ2 1653 2.730 4.070 3.646 -0.9419 1.0850 0.7662 + 111TRP CH2 1654 2.571 4.215 3.618 0.2523 0.2232 -0.1217 + 111TRP HH2 1655 2.540 4.222 3.721 -0.5048 -0.7319 -0.2730 + 111TRP CZ3 1656 2.505 4.297 3.525 -0.1476 -0.0210 0.6461 + 111TRP HZ3 1657 2.427 4.367 3.552 -0.7605 -0.3862 -0.1151 + 111TRP CE3 1658 2.534 4.287 3.388 -0.3645 0.4276 0.1897 + 111TRP HE3 1659 2.474 4.344 3.319 -1.1276 0.3266 0.7629 + 111TRP CD2 1660 2.648 4.210 3.341 -0.1633 -0.3350 -0.6478 + 111TRP C 1661 2.444 4.102 3.095 0.3402 -0.4233 -0.4325 + 111TRP O 1662 2.436 3.994 3.145 -0.1521 -0.0666 0.1443 + 112ARG N 1663 2.344 4.194 3.105 0.3338 0.8765 0.0574 + 112ARG H 1664 2.357 4.284 3.061 0.9449 1.3706 1.2022 + 112ARG CA 1665 2.221 4.163 3.174 0.3742 0.3108 -0.6073 + 112ARG HA 1666 2.251 4.139 3.276 -2.9733 -0.6696 0.2954 + 112ARG CB 1667 2.114 4.272 3.166 0.0335 0.2273 0.4602 + 112ARG HB1 1668 2.021 4.235 3.208 -1.2676 1.2146 -1.4428 + 112ARG HB2 1669 2.099 4.295 3.061 -0.1117 -0.2335 0.3770 + 112ARG CG 1670 2.145 4.403 3.251 0.0387 -0.4170 -0.2480 + 112ARG HG1 1671 2.223 4.453 3.194 -0.3036 -0.1403 -0.4812 + 112ARG HG2 1672 2.178 4.376 3.351 -1.0860 0.7393 0.4746 + 112ARG CD 1673 2.033 4.502 3.264 1.2186 0.7542 0.7397 + 112ARG HD1 1674 2.070 4.595 3.308 1.0493 -0.2985 3.2619 + 112ARG HD2 1675 1.970 4.458 3.341 0.3673 3.1681 1.5058 + 112ARG NE 1676 1.956 4.519 3.139 -0.4649 0.3229 -0.3082 + 112ARG HE 1677 1.899 4.440 3.112 0.6965 -1.5212 2.2363 + 112ARG CZ 1678 1.963 4.625 3.059 0.0595 0.3319 0.1021 + 112ARG NH1 1679 2.055 4.714 3.061 0.2245 0.2578 0.3746 + 112ARG HH11 1680 2.139 4.722 3.116 1.1489 0.7471 -1.0282 + 112ARG HH12 1681 2.045 4.783 2.987 1.9801 0.9541 0.7302 + 112ARG NH2 1682 1.869 4.634 2.969 -0.0760 0.7494 -0.4739 + 112ARG HH21 1683 1.790 4.571 2.975 0.6393 -0.0283 2.0365 + 112ARG HH22 1684 1.875 4.688 2.884 1.6812 -1.2502 -1.6920 + 112ARG C 1685 2.151 4.035 3.126 -0.0575 -0.0456 0.5426 + 112ARG O 1686 2.130 3.941 3.197 0.2547 -0.2462 -0.1757 + 113ASN N 1687 2.140 4.026 2.991 -0.3157 -0.2159 -0.8715 + 113ASN H 1688 2.163 4.110 2.940 1.3626 -2.1701 -3.5796 + 113ASN CA 1689 2.065 3.918 2.929 0.5409 0.2520 -0.0271 + 113ASN HA 1690 1.968 3.909 2.979 -0.8251 0.3605 -2.4910 + 113ASN CB 1691 2.035 3.957 2.782 0.3993 -0.2851 0.1503 + 113ASN HB1 1692 2.005 3.863 2.736 -0.4118 0.3888 -0.7471 + 113ASN HB2 1693 2.130 3.995 2.745 -0.1320 1.8837 0.8667 + 113ASN CG 1694 1.924 4.058 2.761 -0.3756 -0.3565 -0.4129 + 113ASN OD1 1695 1.871 4.119 2.852 -0.2460 0.4931 -0.3784 + 113ASN ND2 1696 1.886 4.086 2.641 0.1332 0.2981 0.5233 + 113ASN HD21 1697 1.937 4.040 2.567 -0.4146 1.7882 -0.8226 + 113ASN HD22 1698 1.825 4.163 2.617 0.0988 -0.1565 -0.9679 + 113ASN C 1699 2.135 3.784 2.937 -0.0973 -0.6709 0.1170 + 113ASN O 1700 2.069 3.683 2.960 -0.1263 -0.0267 0.3459 + 114ARG N 1701 2.265 3.774 2.906 0.5360 -0.6493 0.4300 + 114ARG H 1702 2.319 3.859 2.918 1.1604 -0.5424 -2.3224 + 114ARG CA 1703 2.343 3.657 2.868 0.2661 0.0844 -0.6204 + 114ARG HA 1704 2.281 3.567 2.875 -0.9627 0.9375 -0.1749 + 114ARG CB 1705 2.387 3.671 2.725 -0.0009 0.0027 1.0120 + 114ARG HB1 1706 2.461 3.598 2.693 1.1859 1.2635 0.8358 + 114ARG HB2 1707 2.444 3.761 2.707 1.2289 -0.6333 1.6443 + 114ARG CG 1708 2.268 3.650 2.630 -0.3652 -0.3905 0.4899 + 114ARG HG1 1709 2.199 3.733 2.647 -0.7051 -0.8133 1.2421 + 114ARG HG2 1710 2.215 3.558 2.655 -0.9315 -0.0935 0.4049 + 114ARG CD 1711 2.305 3.633 2.485 -0.3207 -0.1536 -0.4978 + 114ARG HD1 1712 2.224 3.576 2.439 -1.2922 2.1739 -1.8751 + 114ARG HD2 1713 2.397 3.575 2.483 0.1194 0.5485 -1.2987 + 114ARG NE 1714 2.304 3.755 2.400 -0.6476 -0.0405 0.1852 + 114ARG HE 1715 2.248 3.832 2.433 -1.0772 -0.6752 0.9820 + 114ARG CZ 1716 2.348 3.777 2.280 0.4971 -0.0035 0.3605 + 114ARG NH1 1717 2.387 3.675 2.204 -0.5704 -0.5698 0.7169 + 114ARG HH11 1718 2.359 3.580 2.223 -1.2567 -0.9342 -1.7605 + 114ARG HH12 1719 2.423 3.694 2.111 -0.8220 -1.4538 0.4228 + 114ARG NH2 1720 2.351 3.895 2.223 -0.3761 -0.1359 0.0960 + 114ARG HH21 1721 2.323 3.977 2.276 2.6387 0.2944 1.2471 + 114ARG HH22 1722 2.382 3.907 2.128 -0.9651 -1.4717 -0.2844 + 114ARG C 1723 2.464 3.619 2.968 0.1893 -0.3632 0.2831 + 114ARG O 1724 2.523 3.516 2.947 0.1878 -0.0701 -0.0335 + 115CYS N 1725 2.486 3.709 3.067 0.0919 0.5498 0.5360 + 115CYS H 1726 2.426 3.790 3.076 -1.0926 -0.3381 0.9412 + 115CYS CA 1727 2.600 3.694 3.160 0.1829 0.0117 0.0212 + 115CYS HA 1728 2.641 3.595 3.143 -0.6473 0.0076 -2.3078 + 115CYS CB 1729 2.710 3.801 3.151 -0.0433 0.5042 0.4097 + 115CYS HB1 1730 2.792 3.773 3.217 0.0760 0.3662 0.2065 + 115CYS HB2 1731 2.661 3.892 3.184 0.8473 1.1068 0.0953 + 115CYS SG 1732 2.776 3.817 2.981 0.0047 -0.3978 0.2733 + 115CYS C 1733 2.559 3.692 3.307 -0.3762 -0.5823 -0.3362 + 115CYS O 1734 2.609 3.608 3.378 -0.4512 0.0583 -0.4234 + 116LYS N 1735 2.473 3.785 3.350 -0.6626 0.0775 -0.6061 + 116LYS H 1736 2.444 3.854 3.282 -0.0696 -0.3877 -1.3350 + 116LYS CA 1737 2.430 3.802 3.488 -0.9241 -0.3173 0.4916 + 116LYS HA 1738 2.513 3.840 3.546 -1.3293 1.4736 -0.0404 + 116LYS CB 1739 2.327 3.922 3.487 0.1566 0.1696 0.1752 + 116LYS HB1 1740 2.244 3.898 3.421 -0.3153 0.3098 0.7018 + 116LYS HB2 1741 2.373 4.012 3.446 -1.5438 1.2183 0.4246 + 116LYS CG 1742 2.271 3.970 3.621 -0.2386 -0.1320 0.1356 + 116LYS HG1 1743 2.354 3.979 3.692 1.0000 1.5817 -1.4154 + 116LYS HG2 1744 2.202 3.893 3.656 -0.6965 -0.0846 -0.6304 + 116LYS CD 1745 2.197 4.099 3.601 0.9770 -0.1683 0.3883 + 116LYS HD1 1746 2.112 4.086 3.534 0.4266 -0.5628 1.1494 + 116LYS HD2 1747 2.267 4.173 3.562 0.0943 1.3990 1.6170 + 116LYS CE 1748 2.148 4.145 3.741 0.2967 0.0359 -0.8543 + 116LYS HE1 1749 2.235 4.145 3.807 1.2382 0.4462 -2.0621 + 116LYS HE2 1750 2.080 4.072 3.785 0.1650 0.1665 -0.8369 + 116LYS NZ 1751 2.080 4.271 3.742 -0.3285 -0.3287 -0.2628 + 116LYS HZ1 1752 2.043 4.292 3.833 -1.1283 -1.5693 -0.2640 + 116LYS HZ2 1753 2.136 4.348 3.710 -1.0820 0.7361 0.8836 + 116LYS HZ3 1754 1.996 4.260 3.686 -0.0907 -0.3320 -0.6193 + 116LYS C 1755 2.380 3.679 3.547 -0.6226 0.1428 0.0715 + 116LYS O 1756 2.297 3.617 3.483 0.6536 -0.6662 -0.3126 + 117GLY N 1757 2.426 3.641 3.670 -0.0415 -0.1352 0.4710 + 117GLY H 1758 2.466 3.717 3.722 -1.3625 -0.8114 2.5837 + 117GLY CA 1759 2.395 3.515 3.732 0.2692 -0.1252 -0.1083 + 117GLY HA1 1760 2.287 3.510 3.736 0.3148 -0.2880 2.6306 + 117GLY HA2 1761 2.441 3.524 3.831 0.5296 0.0875 -0.2468 + 117GLY C 1762 2.439 3.379 3.673 -0.6324 0.0978 0.3019 + 117GLY O 1763 2.426 3.276 3.742 0.5647 -0.5693 -0.2543 + 118THR N 1764 2.509 3.378 3.562 -0.3189 -0.9607 0.0494 + 118THR H 1765 2.524 3.468 3.520 -1.5100 -0.5205 0.5154 + 118THR CA 1766 2.568 3.254 3.501 -0.4220 -0.3476 0.0925 + 118THR HA 1767 2.513 3.161 3.514 -1.2668 0.0987 -0.2848 + 118THR CB 1768 2.581 3.267 3.350 0.5049 -0.1770 0.0699 + 118THR HB 1769 2.602 3.170 3.305 -1.3225 -1.2258 1.3359 + 118THR CG2 1770 2.452 3.321 3.279 -0.1879 -0.4288 -0.2211 + 118THR HG21 1771 2.463 3.307 3.171 -0.7124 0.0034 -0.3308 + 118THR HG22 1772 2.364 3.264 3.310 -1.1683 0.8487 -0.5858 + 118THR HG23 1773 2.434 3.428 3.289 -0.0700 -0.3745 -0.5859 + 118THR OG1 1774 2.682 3.350 3.312 0.2232 -0.3180 0.1985 + 118THR HG1 1775 2.665 3.443 3.329 4.6479 1.1033 -1.6635 + 118THR C 1776 2.703 3.215 3.567 0.6207 0.4722 0.6003 + 118THR O 1777 2.757 3.298 3.640 -0.4576 -0.3069 0.4454 + 119ASP N 1778 2.759 3.098 3.537 -0.0037 -0.3860 -0.0687 + 119ASP H 1779 2.696 3.030 3.497 1.6700 -1.4643 -0.9802 + 119ASP CA 1780 2.896 3.063 3.564 0.6405 -0.2845 0.1199 + 119ASP HA 1781 2.914 3.080 3.671 0.5897 -0.0507 0.0928 + 119ASP CB 1782 2.909 2.911 3.548 0.0729 0.8567 0.1645 + 119ASP HB1 1783 2.875 2.886 3.448 -0.3068 -2.4988 1.0092 + 119ASP HB2 1784 2.841 2.850 3.606 1.5088 -2.4747 -1.3955 + 119ASP CG 1785 3.051 2.860 3.566 -0.1165 -0.6332 -0.4515 + 119ASP OD1 1786 3.135 2.926 3.626 0.5675 0.2052 -0.1998 + 119ASP OD2 1787 3.077 2.741 3.532 -0.0422 -0.2663 -0.2091 + 119ASP C 1788 2.999 3.137 3.473 0.4520 0.1044 0.4560 + 119ASP O 1789 3.066 3.078 3.387 0.0019 -0.6775 -0.2997 + 120VAL N 1790 3.000 3.269 3.491 -0.3729 -0.2036 0.2640 + 120VAL H 1791 2.927 3.300 3.553 -1.9654 -2.6540 -0.2346 + 120VAL CA 1792 3.097 3.347 3.410 0.2200 0.1460 0.2259 + 120VAL HA 1793 3.064 3.341 3.306 0.4727 1.5345 0.0345 + 120VAL CB 1794 3.092 3.499 3.441 -0.5637 0.1256 -0.1586 + 120VAL HB 1795 3.167 3.545 3.377 -0.4611 -2.2439 -1.8765 + 120VAL CG1 1796 2.958 3.570 3.409 0.1743 -0.1845 0.1819 + 120VAL HG11 1797 2.935 3.646 3.483 -1.0061 -0.1790 -0.1748 + 120VAL HG12 1798 2.977 3.624 3.316 0.8132 0.1135 0.4777 + 120VAL HG13 1799 2.878 3.497 3.410 0.1349 -0.1451 1.4593 + 120VAL CG2 1800 3.125 3.545 3.585 -0.1337 -0.2048 1.0567 + 120VAL HG21 1801 3.225 3.518 3.619 0.7037 -1.6428 -2.2267 + 120VAL HG22 1802 3.111 3.652 3.602 -1.0576 -0.0560 -0.5094 + 120VAL HG23 1803 3.051 3.509 3.657 -2.8466 2.1528 -0.3067 + 120VAL C 1804 3.245 3.308 3.413 0.7499 0.0154 0.1329 + 120VAL O 1805 3.322 3.343 3.320 -0.1181 -0.8931 -0.5294 + 121GLN N 1806 3.275 3.221 3.511 -0.4722 -0.7563 -0.1312 + 121GLN H 1807 3.202 3.191 3.574 0.9218 1.0352 2.5393 + 121GLN CA 1808 3.411 3.173 3.519 0.4672 -0.0441 0.3333 + 121GLN HA 1809 3.474 3.262 3.516 0.2443 0.0946 -1.6035 + 121GLN CB 1810 3.433 3.114 3.662 -0.8073 -0.0340 -0.2871 + 121GLN HB1 1811 3.356 3.039 3.680 -0.7754 0.2384 1.0895 + 121GLN HB2 1812 3.418 3.197 3.732 1.8022 0.5244 -0.2683 + 121GLN CG 1813 3.579 3.056 3.679 0.1819 -0.7192 0.3024 + 121GLN HG1 1814 3.647 3.101 3.608 -0.8338 2.6409 1.2580 + 121GLN HG2 1815 3.581 2.949 3.660 0.9136 -0.6329 -0.1329 + 121GLN CD 1816 3.634 3.076 3.811 -0.4071 -0.6064 -0.4428 + 121GLN OE1 1817 3.731 3.146 3.833 0.4385 -0.4191 -0.5949 + 121GLN NE2 1818 3.576 3.011 3.913 -0.4065 -0.4137 0.0380 + 121GLN HE21 1819 3.488 2.962 3.911 -0.5498 -0.1469 -2.1077 + 121GLN HE22 1820 3.600 3.058 3.999 -0.6610 -0.3657 0.0841 + 121GLN C 1821 3.463 3.080 3.403 -0.3922 -0.0168 0.3804 + 121GLN O 1822 3.583 3.095 3.371 -0.1508 -0.3155 0.0620 + 122ALA N 1823 3.386 2.985 3.346 -0.2879 -0.2024 0.3881 + 122ALA H 1824 3.292 2.972 3.380 -2.1548 -0.0775 -4.0539 + 122ALA CA 1825 3.419 2.909 3.223 0.2848 -0.4733 -0.2941 + 122ALA HA 1826 3.488 2.828 3.246 0.9880 -0.0439 -0.8198 + 122ALA CB 1827 3.288 2.856 3.161 -0.2007 0.5179 -0.1362 + 122ALA HB1 1828 3.297 2.842 3.053 -0.7177 0.8878 -0.2302 + 122ALA HB2 1829 3.263 2.767 3.218 1.6290 0.3818 0.5261 + 122ALA HB3 1830 3.203 2.924 3.162 -0.1708 0.7038 -2.6028 + 122ALA C 1831 3.486 2.995 3.110 0.5576 0.1426 -0.2910 + 122ALA O 1832 3.574 2.942 3.037 -0.3706 -0.3853 -0.0660 + 123TRP N 1833 3.460 3.127 3.098 0.1145 -0.4226 0.3722 + 123TRP H 1834 3.391 3.167 3.159 0.0354 1.3237 -0.7928 + 123TRP CA 1835 3.524 3.221 2.997 0.2588 0.4559 -0.8178 + 123TRP HA 1836 3.518 3.162 2.906 -0.5429 -2.6348 1.0947 + 123TRP CB 1837 3.435 3.350 2.995 0.1904 0.5936 -0.5678 + 123TRP HB1 1838 3.485 3.434 2.947 -2.1233 3.4104 1.6132 + 123TRP HB2 1839 3.438 3.385 3.098 1.6615 1.6897 -0.9459 + 123TRP CG 1840 3.299 3.337 2.941 0.5370 0.2345 -0.0047 + 123TRP CD1 1841 3.181 3.334 3.013 -0.3417 0.2889 -0.2580 + 123TRP HD1 1842 3.166 3.333 3.120 0.0396 -0.4952 -0.2089 + 123TRP NE1 1843 3.072 3.325 2.932 -0.0761 0.2079 0.7760 + 123TRP HE1 1844 2.976 3.305 2.958 -0.0792 -1.0743 -0.0816 + 123TRP CE2 1845 3.113 3.325 2.798 -0.0572 -0.5399 -0.3751 + 123TRP CZ2 1846 3.038 3.303 2.681 -0.4815 -0.8451 -0.2570 + 123TRP HZ2 1847 2.930 3.305 2.687 -0.4049 0.2976 3.6432 + 123TRP CH2 1848 3.109 3.273 2.562 0.3286 0.0477 -0.5820 + 123TRP HH2 1849 3.050 3.252 2.474 0.5761 -1.4633 -0.4051 + 123TRP CZ3 1850 3.253 3.275 2.559 0.6505 0.0964 -0.2350 + 123TRP HZ3 1851 3.303 3.243 2.468 0.7311 -1.1150 0.2139 + 123TRP CE3 1852 3.324 3.304 2.675 0.1485 0.0740 0.1879 + 123TRP HE3 1853 3.430 3.322 2.674 -0.2534 2.8597 -0.0752 + 123TRP CD2 1854 3.257 3.323 2.800 -0.4549 -0.2587 -0.2020 + 123TRP C 1855 3.673 3.236 3.020 0.6189 -0.0838 -0.1070 + 123TRP O 1856 3.741 3.263 2.919 -0.1567 -0.0212 -0.0499 + 124ILE N 1857 3.722 3.217 3.147 -0.1178 -0.1368 0.1985 + 124ILE H 1858 3.657 3.208 3.224 -0.3741 -0.6554 -0.0737 + 124ILE CA 1859 3.862 3.222 3.175 -0.3405 -0.1218 0.4228 + 124ILE HA 1860 3.925 3.257 3.092 1.5250 -1.5979 1.1365 + 124ILE CB 1861 3.897 3.327 3.283 -0.2822 0.5640 -0.0647 + 124ILE HB 1862 4.005 3.317 3.294 -0.1475 1.0361 -0.8615 + 124ILE CG2 1863 3.860 3.469 3.238 0.1584 0.4064 0.0784 + 124ILE HG21 1864 3.904 3.499 3.142 0.8318 -0.1446 0.2065 + 124ILE HG22 1865 3.754 3.461 3.216 0.3675 -1.4081 -0.4625 + 124ILE HG23 1866 3.884 3.542 3.315 1.0135 1.1855 -0.8877 + 124ILE CG1 1867 3.836 3.289 3.416 -0.3468 -0.2442 -0.0883 + 124ILE HG11 1868 3.859 3.184 3.434 1.5677 0.0569 -0.5738 + 124ILE HG12 1869 3.729 3.303 3.402 -0.0844 1.5482 -0.5737 + 124ILE CD 1870 3.893 3.380 3.524 -0.0854 0.5392 -0.2706 + 124ILE HD1 1871 3.866 3.484 3.505 2.2084 1.1251 -0.6807 + 124ILE HD2 1872 3.845 3.352 3.618 -0.8334 -0.6112 -0.9820 + 124ILE HD3 1873 3.999 3.354 3.526 -0.1287 -0.0428 -2.5410 + 124ILE C 1874 3.920 3.080 3.198 -0.0863 0.3924 0.6754 + 124ILE O 1875 4.041 3.063 3.208 0.1355 -0.0702 0.0541 + 125ARG N 1876 3.839 2.972 3.203 -0.1916 -0.3985 0.0340 + 125ARG H 1877 3.740 2.981 3.186 0.1013 1.4060 -0.8834 + 125ARG CA 1878 3.894 2.839 3.208 -0.4606 0.9806 0.3197 + 125ARG HA 1879 3.975 2.820 3.278 -0.3085 -2.2882 -0.5876 + 125ARG CB 1880 3.791 2.725 3.237 -0.2487 -0.2454 -0.1948 + 125ARG HB1 1881 3.843 2.629 3.238 1.9025 0.8557 -0.7284 + 125ARG HB2 1882 3.708 2.717 3.166 -0.0637 1.7478 -0.7135 + 125ARG CG 1883 3.719 2.754 3.373 -0.6281 0.0446 -0.7628 + 125ARG HG1 1884 3.665 2.849 3.375 -1.5774 -0.4892 1.1185 + 125ARG HG2 1885 3.798 2.748 3.448 -1.4473 -1.0226 0.0473 + 125ARG CD 1886 3.618 2.645 3.413 0.0013 0.1443 0.5888 + 125ARG HD1 1887 3.679 2.555 3.408 0.7146 0.6762 -1.5223 + 125ARG HD2 1888 3.544 2.618 3.337 -0.4612 0.5020 0.9046 + 125ARG NE 1889 3.550 2.683 3.539 -0.0317 -0.5141 0.6818 + 125ARG HE 1890 3.607 2.686 3.622 0.7967 -1.4282 0.1634 + 125ARG CZ 1891 3.421 2.717 3.542 0.4353 0.0740 0.1114 + 125ARG NH1 1892 3.335 2.680 3.460 0.3009 -0.3334 0.6207 + 125ARG HH11 1893 3.342 2.588 3.418 -1.5651 -0.2888 0.1254 + 125ARG HH12 1894 3.242 2.713 3.480 1.0709 1.1212 1.9881 + 125ARG NH2 1895 3.370 2.789 3.642 -0.6387 0.1140 0.7157 + 125ARG HH21 1896 3.421 2.787 3.730 -0.1631 1.7655 0.5059 + 125ARG HH22 1897 3.274 2.818 3.641 -1.2064 -1.6440 -0.2310 + 125ARG C 1898 3.959 2.794 3.075 0.4137 -0.1052 -0.2782 + 125ARG O 1899 3.913 2.830 2.967 -0.1606 0.2502 -0.3071 + 126GLY N 1900 4.071 2.715 3.085 -0.1131 0.6357 0.0654 + 126GLY H 1901 4.096 2.685 3.179 -1.1461 -3.3337 -0.7348 + 126GLY CA 1902 4.161 2.677 2.974 -0.5869 0.5227 -0.0043 + 126GLY HA1 1903 4.102 2.677 2.882 -1.3180 -3.0255 0.3013 + 126GLY HA2 1904 4.207 2.578 2.978 -1.1261 0.2579 -0.2272 + 126GLY C 1905 4.271 2.784 2.946 0.0685 0.1400 0.6047 + 126GLY O 1906 4.374 2.753 2.883 0.1512 0.4061 -0.2692 + 127CYS N 1907 4.258 2.909 3.000 0.3166 0.0913 0.3907 + 127CYS H 1908 4.172 2.935 3.047 -0.5331 0.4370 -1.2452 + 127CYS CA 1909 4.356 3.015 2.977 -0.9456 -0.0479 -0.1992 + 127CYS HA 1910 4.408 2.987 2.885 -1.4257 -1.2132 -0.1329 + 127CYS CB 1911 4.273 3.149 2.981 -0.2981 0.0957 -0.1070 + 127CYS HB1 1912 4.337 3.226 2.938 -1.2210 0.5786 -0.6512 + 127CYS HB2 1913 4.257 3.184 3.083 0.2620 1.2154 -0.3762 + 127CYS SG 1914 4.123 3.155 2.879 0.1304 0.2268 -0.2093 + 127CYS C 1915 4.464 3.015 3.081 0.5013 -0.3943 -0.3984 + 127CYS O 1916 4.444 3.005 3.205 -0.2027 -0.2139 0.3361 + 128ARG N 1917 4.593 3.034 3.039 -0.1117 -0.2377 -0.1522 + 128ARG H 1918 4.602 3.071 2.945 -1.7693 -0.1881 -0.3193 + 128ARG CA 1919 4.707 3.068 3.129 -0.4268 0.2643 -0.2589 + 128ARG HA 1920 4.682 3.014 3.220 0.2262 -0.3114 -0.4117 + 128ARG CB 1921 4.837 3.017 3.068 0.2112 -0.5748 0.2604 + 128ARG HB1 1922 4.917 3.085 3.097 -0.5840 1.0154 -1.1052 + 128ARG HB2 1923 4.835 3.028 2.960 -1.0969 -1.1655 0.2035 + 128ARG CG 1924 4.855 2.872 3.113 -0.2619 -0.9508 -0.1669 + 128ARG HG1 1925 4.933 2.830 3.049 0.7069 -0.2235 0.5172 + 128ARG HG2 1926 4.763 2.814 3.100 0.1057 -1.7521 0.6764 + 128ARG CD 1927 4.901 2.861 3.261 0.2281 -0.1362 0.0629 + 128ARG HD1 1928 4.890 2.758 3.294 -0.7847 -0.8740 -2.3327 + 128ARG HD2 1929 4.834 2.915 3.328 -0.9890 -3.6121 1.8924 + 128ARG NE 1930 5.043 2.880 3.278 -0.5595 -0.3183 0.1148 + 128ARG HE 1931 5.102 2.813 3.231 0.4504 -0.0723 0.9925 + 128ARG CZ 1932 5.106 2.985 3.328 0.1764 0.1134 -0.0791 + 128ARG NH1 1933 5.049 3.086 3.388 -0.0178 0.5692 0.2151 + 128ARG HH11 1934 4.954 3.083 3.423 0.0721 1.4044 0.5446 + 128ARG HH12 1935 5.103 3.161 3.429 -0.7629 1.8760 -1.1341 + 128ARG NH2 1936 5.238 2.990 3.316 0.0751 0.0846 0.2062 + 128ARG HH21 1937 5.284 2.915 3.265 -0.3672 0.6450 -1.0543 + 128ARG HH22 1938 5.288 3.067 3.358 0.7170 -1.4221 2.3363 + 128ARG C 1939 4.713 3.221 3.155 -0.4695 0.3481 -0.2375 + 128ARG O 1940 4.748 3.291 3.060 -0.0003 -0.2896 -0.1036 + 129LEU N 1941 4.681 3.251 3.278 -0.1486 -0.2685 0.4041 + 129LEU H 1942 4.657 3.173 3.337 0.2019 -1.1650 -0.6156 + 129LEU CA 1943 4.648 3.388 3.329 -0.4294 -1.2738 -0.1720 + 129LEU HA 1944 4.686 3.461 3.257 0.3811 -1.1631 0.3589 + 129LEU CB 1945 4.493 3.399 3.355 0.0434 -0.0860 0.0116 + 129LEU HB1 1946 4.477 3.439 3.455 -0.3712 3.6419 -1.4151 + 129LEU HB2 1947 4.459 3.295 3.350 -0.5563 0.0779 0.5286 + 129LEU CG 1948 4.415 3.488 3.254 -0.5102 0.3149 0.3393 + 129LEU HG 1949 4.441 3.593 3.267 1.2878 -0.1654 0.9040 + 129LEU CD1 1950 4.438 3.447 3.108 -0.0317 0.1260 -0.1103 + 129LEU HD11 1951 4.541 3.461 3.076 0.4450 0.9754 1.6143 + 129LEU HD12 1952 4.413 3.341 3.114 -1.7406 0.4246 -1.2513 + 129LEU HD13 1953 4.367 3.498 3.043 1.5872 -1.0510 -2.9602 + 129LEU CD2 1954 4.269 3.485 3.287 0.0454 0.3711 0.4951 + 129LEU HD21 1955 4.218 3.548 3.213 1.6238 -0.4487 -1.3885 + 129LEU HD22 1956 4.226 3.390 3.256 0.0200 0.4559 0.2612 + 129LEU HD23 1957 4.240 3.515 3.388 1.8283 1.3614 0.7472 + 129LEU C 1958 4.738 3.413 3.449 0.3114 0.4647 -0.4336 + 129LEU OC1 1959 4.848 3.469 3.425 0.6734 -0.0200 0.6803 + 129LEU OC2 1960 4.718 3.356 3.563 -0.6086 -0.0313 0.0274 + 130SOL OW 1961 6.035 0.753 1.715 -0.4018 -0.0298 -0.8119 + 130SOL HW1 1962 6.037 0.845 1.690 -1.7967 0.2395 -0.0091 + 130SOL HW2 1963 6.075 0.751 1.802 0.9086 -0.4094 -1.3968 + 131SOL OW 1964 2.261 4.534 0.251 0.0650 -0.0370 -0.0648 + 131SOL HW1 1965 2.225 4.617 0.282 1.9364 0.5394 0.6572 + 131SOL HW2 1966 2.249 4.474 0.325 -1.9849 -0.6898 -0.8495 + 132SOL OW 1967 3.713 2.973 4.261 -0.4397 -0.6880 -0.0981 + 132SOL HW1 1968 3.635 3.027 4.247 -0.6008 -1.0406 -0.5785 + 132SOL HW2 1969 3.717 2.916 4.184 -0.1706 -1.2329 0.3125 + 133SOL OW 1970 1.452 0.262 1.775 -0.6834 0.1278 0.7845 + 133SOL HW1 1971 1.472 0.311 1.695 0.2146 -0.5058 0.5953 + 133SOL HW2 1972 1.533 0.215 1.795 -1.3760 -0.9526 1.1813 + 134SOL OW 1973 3.112 5.976 0.150 -0.3301 0.5818 -0.1644 + 134SOL HW1 1974 3.085 6.050 0.094 -1.4732 0.7521 0.5851 + 134SOL HW2 1975 3.112 5.901 0.091 -1.0970 0.8340 -0.4995 + 135SOL OW 1976 2.691 0.947 2.134 0.5850 -0.4629 -0.3595 + 135SOL HW1 1977 2.697 0.907 2.048 1.1558 0.7806 -0.9194 + 135SOL HW2 1978 2.768 1.005 2.139 -0.3702 0.8018 0.2737 + 136SOL OW 1979 1.075 1.581 1.239 0.5627 -0.7569 0.3050 + 136SOL HW1 1980 1.038 1.669 1.252 -0.4905 -1.1669 0.1457 + 136SOL HW2 1981 1.011 1.522 1.277 0.7227 -1.5369 -0.5935 + 137SOL OW 1982 0.722 1.348 0.913 0.0958 -0.1521 -0.2090 + 137SOL HW1 1983 0.642 1.380 0.955 0.6090 -0.4491 1.0489 + 137SOL HW2 1984 0.740 1.410 0.843 -0.2424 0.9433 0.6580 + 138SOL OW 1985 1.046 2.350 3.359 -0.2347 0.2838 0.3541 + 138SOL HW1 1986 1.061 2.425 3.416 2.0575 -0.5293 0.9178 + 138SOL HW2 1987 1.129 2.302 3.358 -1.8466 -2.8256 0.8545 + 139SOL OW 1988 1.882 1.058 1.623 -0.6929 -0.2675 0.0708 + 139SOL HW1 1989 1.874 0.966 1.598 -0.0320 -0.0842 -0.8775 + 139SOL HW2 1990 1.945 1.095 1.560 -0.1049 0.5729 1.1055 + 140SOL OW 1991 5.905 1.284 2.438 0.0520 -0.2993 0.2657 + 140SOL HW1 1992 5.819 1.310 2.472 -0.2252 0.0934 -0.7216 + 140SOL HW2 1993 5.885 1.221 2.368 0.5735 -0.2470 0.0694 + 141SOL OW 1994 0.794 1.275 1.742 -0.3591 -0.1169 -0.0182 + 141SOL HW1 1995 0.797 1.253 1.835 -0.1125 0.4553 0.1168 + 141SOL HW2 1996 0.768 1.194 1.698 -2.7320 0.1487 0.7528 + 142SOL OW 1997 1.094 1.440 1.890 0.8582 -0.1896 -0.2131 + 142SOL HW1 1998 1.074 1.511 1.951 0.2397 -1.5804 1.2690 + 142SOL HW2 1999 1.018 1.383 1.894 2.0334 -1.8099 -0.0706 + 143SOL OW 2000 1.848 1.666 1.289 -0.3366 0.6590 0.5186 + 143SOL HW1 2001 1.769 1.645 1.238 0.6261 2.0237 -1.6731 + 143SOL HW2 2002 1.852 1.762 1.288 1.8279 0.6075 -0.2487 + 144SOL OW 2003 0.746 2.353 0.405 -0.2669 -0.4724 -0.0594 + 144SOL HW1 2004 0.738 2.382 0.314 2.1080 1.1886 0.1556 + 144SOL HW2 2005 0.767 2.433 0.453 -0.5720 -1.4639 1.8085 + 145SOL OW 2006 4.672 6.090 2.506 0.1233 -0.4006 -0.4784 + 145SOL HW1 2007 4.738 6.156 2.528 0.0678 -0.3340 -0.5113 + 145SOL HW2 2008 4.637 6.061 2.590 -0.9817 0.7558 -0.5202 + 146SOL OW 2009 0.666 0.986 0.048 -0.6647 -0.3992 0.3337 + 146SOL HW1 2010 0.645 1.063 -0.005 -1.5032 -0.0798 1.0985 + 146SOL HW2 2011 0.705 0.925 -0.013 -0.5936 0.3863 -0.4248 + 147SOL OW 2012 2.072 2.117 0.807 -0.2437 -0.5473 0.8933 + 147SOL HW1 2013 2.134 2.050 0.779 1.5271 0.2901 2.5589 + 147SOL HW2 2014 2.040 2.155 0.725 1.7220 -0.8019 -0.0742 + 148SOL OW 2015 0.324 2.221 1.482 -0.9012 0.0291 0.1766 + 148SOL HW1 2016 0.305 2.312 1.504 0.7909 0.2874 0.7723 + 148SOL HW2 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OW 3716 1.373 3.227 3.088 0.2657 0.4106 0.0073 + 715SOL HW1 3717 1.354 3.156 3.026 1.2482 0.6851 -0.6357 + 715SOL HW2 3718 1.295 3.233 3.143 -0.8513 0.5172 -1.5424 + 716SOL OW 3719 0.793 1.392 4.294 -0.2158 0.1446 0.0771 + 716SOL HW1 3720 0.729 1.409 4.363 1.0800 -0.1593 1.4058 + 716SOL HW2 3721 0.862 1.457 4.310 -0.0860 0.3324 -1.1918 + 717SOL OW 3722 6.150 0.956 3.474 0.6463 0.0013 -0.4015 + 717SOL HW1 3723 6.182 1.023 3.413 -0.3959 0.7532 -0.1437 + 717SOL HW2 3724 6.173 0.989 3.561 -0.2187 0.2313 -0.2521 + 718SOL OW 3725 0.428 2.530 4.297 -0.0339 0.2891 -0.9243 + 718SOL HW1 3726 0.440 2.458 4.358 1.1029 0.3377 -1.0725 + 718SOL HW2 3727 0.463 2.607 4.343 -1.2310 0.7636 -0.7645 + 719SOL OW 3728 0.983 1.644 3.782 0.0732 -0.1651 0.1706 + 719SOL HW1 3729 0.917 1.676 3.843 -0.2845 -0.7447 0.0934 + 719SOL HW2 3730 0.938 1.577 3.730 -0.1078 1.3898 -1.8347 + 720SOL OW 3731 2.704 0.652 0.038 -0.0673 0.0777 0.0186 + 720SOL HW1 3732 2.789 0.635 0.079 -0.2139 -1.4307 -0.2380 + 720SOL HW2 3733 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-2.7029 + 738SOL OW 3785 2.005 2.211 0.560 -0.5650 0.0156 0.2135 + 738SOL HW1 3786 2.095 2.240 0.542 -1.0461 0.7457 -1.1512 + 738SOL HW2 3787 1.951 2.263 0.501 -1.9136 -0.3203 1.1035 + 739SOL OW 3788 0.569 4.051 5.352 0.1053 -0.1053 1.0818 + 739SOL HW1 3789 0.488 4.102 5.359 0.2356 0.3148 -0.3093 + 739SOL HW2 3790 0.638 4.112 5.379 0.0307 -0.2724 1.6647 + 740SOL OW 3791 1.536 3.421 2.979 -0.1665 0.0798 0.3182 + 740SOL HW1 3792 1.476 3.355 3.014 -1.5827 0.2643 -1.6069 + 740SOL HW2 3793 1.506 3.504 3.018 -0.5275 0.0335 0.1403 + 741SOL OW 3794 1.658 3.406 1.802 0.3159 0.1990 0.5279 + 741SOL HW1 3795 1.611 3.329 1.832 -0.6305 0.2341 -0.7923 + 741SOL HW2 3796 1.634 3.415 1.710 1.4799 1.2884 0.2957 + 742SOL OW 3797 5.874 5.341 3.501 -0.2541 0.1350 0.2078 + 742SOL HW1 3798 5.818 5.265 3.487 -1.7165 1.1335 0.3943 + 742SOL HW2 3799 5.815 5.408 3.535 0.7565 1.7102 -0.9917 + 743SOL OW 3800 5.924 5.320 4.284 -0.0992 -0.2282 -0.2068 + 743SOL HW1 3801 6.003 5.271 4.266 -0.1451 -0.1735 -0.5533 + 743SOL HW2 3802 5.858 5.283 4.226 0.6969 2.5247 -3.1141 + 744SOL OW 3803 2.433 3.050 0.324 -0.3847 -0.4405 0.3372 + 744SOL HW1 3804 2.391 3.095 0.398 0.3729 -0.4590 0.7860 + 744SOL HW2 3805 2.509 3.006 0.363 0.0647 -0.3861 -0.4732 + 745SOL OW 3806 6.290 2.004 0.963 0.1960 -0.4889 -0.1532 + 745SOL HW1 3807 6.195 2.011 0.959 0.3527 2.5572 -0.7107 + 745SOL HW2 3808 6.317 1.983 0.874 0.1408 1.2031 -0.5935 + 746SOL OW 3809 0.837 0.410 1.251 0.3990 -0.3105 -0.7134 + 746SOL HW1 3810 0.812 0.370 1.168 -2.3394 2.8225 -1.5930 + 746SOL HW2 3811 0.785 0.365 1.317 -0.7371 0.0586 -1.3343 + 747SOL OW 3812 1.837 2.643 1.815 -0.5439 -0.0277 0.1126 + 747SOL HW1 3813 1.825 2.584 1.889 0.3233 -0.2073 0.1245 + 747SOL HW2 3814 1.855 2.585 1.741 0.6449 0.2108 0.1909 + 748SOL OW 3815 0.796 3.520 0.497 -0.6164 -0.1783 0.2226 + 748SOL HW1 3816 0.796 3.464 0.419 -0.5812 0.1268 0.0002 + 748SOL HW2 3817 0.734 3.478 0.557 -2.5229 0.8460 -0.9052 + 749SOL OW 3818 1.733 4.493 2.189 -0.4412 -0.0523 -0.4415 + 749SOL HW1 3819 1.823 4.484 2.158 -0.2770 1.2810 -0.4031 + 749SOL HW2 3820 1.727 4.432 2.263 1.0591 1.2601 0.8442 + 750SOL OW 3821 1.456 0.923 1.085 -0.0617 0.3116 0.1543 + 750SOL HW1 3822 1.539 0.959 1.053 -0.5855 0.2130 -1.4087 + 750SOL HW2 3823 1.452 0.835 1.046 -1.4767 0.7962 -0.8785 + 751SOL OW 3824 5.560 1.016 4.705 0.0146 0.6089 0.5098 + 751SOL HW1 3825 5.470 0.996 4.732 0.2053 0.3493 0.9697 + 751SOL HW2 3826 5.589 0.936 4.660 0.0677 0.6380 0.4928 + 752SOL OW 3827 0.734 4.474 0.182 0.3074 0.1468 0.3904 + 752SOL HW1 3828 0.698 4.386 0.178 -0.8421 0.5853 0.6177 + 752SOL HW2 3829 0.739 4.494 0.275 0.6636 0.2894 0.3435 + 753SOL OW 3830 2.000 3.226 2.894 -0.3790 0.0220 0.2283 + 753SOL HW1 3831 1.918 3.269 2.918 0.6200 2.2225 -0.0389 + 753SOL HW2 3832 1.985 3.194 2.805 0.2424 4.1792 -1.6108 + 754SOL OW 3833 0.604 4.624 1.650 -0.5786 0.2701 -0.3664 + 754SOL HW1 3834 0.517 4.615 1.688 -0.7866 1.3744 -0.5395 + 754SOL HW2 3835 0.587 4.642 1.557 -0.1128 -1.0864 -0.7375 + 755SOL OW 3836 6.082 5.516 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2.122 1.0326 -1.7282 -0.0152 + 761SOL OW 3854 6.321 1.442 2.168 0.3083 0.1446 -0.5772 + 761SOL HW1 3855 6.302 1.369 2.228 1.7612 0.1214 -0.0875 + 761SOL HW2 3856 6.298 1.520 2.218 -0.9226 0.0466 -0.9715 + 762SOL OW 3857 3.918 -0.026 4.628 0.4104 0.1793 -0.5647 + 762SOL HW1 3858 3.973 0.046 4.598 -0.3490 0.3503 -1.6243 + 762SOL HW2 3859 3.852 0.017 4.684 -1.0136 0.6065 -2.4636 + 763SOL OW 3860 2.243 5.045 0.919 -0.1092 -0.2434 0.3735 + 763SOL HW1 3861 2.307 5.104 0.957 -0.7784 -0.4137 1.8245 + 763SOL HW2 3862 2.288 4.960 0.916 -0.9319 -0.9277 3.6056 + 764SOL OW 3863 2.295 1.949 0.695 -0.2805 -0.5468 -0.0282 + 764SOL HW1 3864 2.356 2.014 0.660 -0.0558 -0.5374 0.3683 + 764SOL HW2 3865 2.268 1.898 0.618 -0.1512 -0.2407 -0.2809 + 765SOL OW 3866 0.469 2.531 0.828 -0.1369 0.1454 0.4700 + 765SOL HW1 3867 0.505 2.459 0.776 0.9948 0.3522 0.9261 + 765SOL HW2 3868 0.495 2.511 0.918 -0.6986 0.6041 0.7416 + 766SOL OW 3869 0.506 3.690 1.499 -0.0132 0.2362 -0.4432 + 766SOL HW1 3870 0.423 3.726 1.469 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3922 0.956 2.138 0.864 0.4797 0.3772 0.6150 + 784SOL OW 3923 1.529 3.819 2.292 0.4757 0.2782 -0.0416 + 784SOL HW1 3924 1.606 3.766 2.272 0.7781 0.9530 -0.7115 + 784SOL HW2 3925 1.467 3.757 2.331 1.1010 -0.4065 -0.1048 + 785SOL OW 3926 0.044 4.056 2.337 -0.7812 0.1898 -0.4380 + 785SOL HW1 3927 0.085 4.066 2.423 -0.8500 -2.1842 -0.0538 + 785SOL HW2 3928 0.109 4.008 2.285 -1.8063 -0.8697 -0.7998 + 786SOL OW 3929 4.832 3.970 5.071 -0.5325 -0.1759 -0.8353 + 786SOL HW1 3930 4.839 3.957 5.165 -0.3897 2.8433 -0.3549 + 786SOL HW2 3931 4.923 3.971 5.040 -0.5944 -1.9589 -1.2032 + 787SOL OW 3932 5.601 4.433 4.814 0.3821 -0.4155 0.5514 + 787SOL HW1 3933 5.576 4.526 4.815 0.4314 -0.3967 0.0462 + 787SOL HW2 3934 5.696 4.434 4.818 0.4811 -0.3925 -1.2419 + 788SOL OW 3935 2.906 0.488 4.775 -0.2104 0.5579 0.4247 + 788SOL HW1 3936 2.850 0.507 4.851 0.2852 2.5314 0.3471 + 788SOL HW2 3937 2.869 0.540 4.704 -1.0082 -1.7008 -0.9166 + 789SOL OW 3938 0.517 4.107 0.988 0.5105 0.4115 -0.3191 + 789SOL HW1 3939 0.457 4.035 0.970 -1.1100 1.5090 0.3918 + 789SOL HW2 3940 0.571 4.114 0.909 1.5627 -2.3080 0.0722 + 790SOL OW 3941 6.494 5.371 5.041 -0.5055 -0.0196 0.0977 + 790SOL HW1 3942 6.569 5.428 5.062 0.0980 -1.2003 1.2957 + 790SOL HW2 3943 6.468 5.398 4.953 0.3485 1.4653 0.2552 + 791SOL OW 3944 1.250 1.757 2.784 -0.2864 -1.0173 0.4486 + 791SOL HW1 3945 1.202 1.695 2.729 1.1595 -1.2831 -0.5900 + 791SOL HW2 3946 1.286 1.821 2.722 1.1030 -1.1298 1.0971 + 792SOL OW 3947 6.444 1.334 1.435 0.5374 -0.2668 -0.4398 + 792SOL HW1 3948 6.517 1.383 1.472 -0.2868 -1.4601 3.1572 + 792SOL HW2 3949 6.465 1.242 1.454 -0.3299 -0.9305 -2.4328 + 793SOL OW 3950 6.497 5.390 3.583 -0.0860 -0.3421 -0.6117 + 793SOL HW1 3951 6.547 5.422 3.658 1.6911 -1.1409 -1.4013 + 793SOL HW2 3952 6.482 5.468 3.529 0.0732 -0.0492 -0.2382 + 794SOL OW 3953 1.664 1.287 1.149 0.0345 -0.7154 -0.1154 + 794SOL HW1 3954 1.590 1.299 1.209 0.8901 -0.2466 0.8634 + 794SOL HW2 3955 1.627 1.235 1.078 -1.0056 -1.3155 0.8150 + 795SOL OW 3956 0.232 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0.3770 0.1723 + 818SOL OW 4025 5.595 5.941 4.648 -0.1365 0.3942 0.0657 + 818SOL HW1 4026 5.611 6.036 4.647 -1.8253 0.7361 1.1561 + 818SOL HW2 4027 5.677 5.904 4.677 0.0787 1.6776 1.2171 + 819SOL OW 4028 1.082 1.612 0.487 -0.0379 -0.3521 0.1230 + 819SOL HW1 4029 1.050 1.702 0.483 -1.0676 -0.6533 1.0654 + 819SOL HW2 4030 1.044 1.570 0.410 1.7742 0.3791 -1.2588 + 820SOL OW 4031 5.501 2.130 1.259 -0.1194 -0.1833 -0.2068 + 820SOL HW1 4032 5.501 2.112 1.352 -1.2880 -1.2684 -0.3957 + 820SOL HW2 4033 5.591 2.114 1.231 -0.0208 -0.9341 0.5229 + 821SOL OW 4034 6.304 3.045 1.079 -0.3337 0.1584 -0.0953 + 821SOL HW1 4035 6.333 3.118 1.133 -0.8257 0.3287 -0.0585 + 821SOL HW2 4036 6.287 3.085 0.993 -0.0883 -0.0102 -0.2232 + 822SOL OW 4037 1.427 4.121 1.943 0.0513 0.1283 0.0991 + 822SOL HW1 4038 1.359 4.134 1.877 -0.7857 0.7243 1.0374 + 822SOL HW2 4039 1.437 4.026 1.950 1.7379 0.0331 -2.4168 + 823SOL OW 4040 2.102 3.462 0.564 -0.3166 -0.1174 -0.0309 + 823SOL HW1 4041 2.028 3.476 0.505 0.1980 0.8122 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5.954 5.834 0.879 1.1428 2.2509 -0.4720 + 1215SOL OW 5216 0.124 4.108 2.777 -0.3016 -0.1065 -0.3934 + 1215SOL HW1 5217 0.110 4.044 2.846 1.3937 -0.1640 -0.0458 + 1215SOL HW2 5218 0.152 4.056 2.701 2.8750 0.2146 0.3965 + 1216SOL OW 5219 1.574 2.660 4.098 0.2675 -0.5540 -0.2832 + 1216SOL HW1 5220 1.586 2.697 4.185 -1.9185 -0.0804 -0.1454 + 1216SOL HW2 5221 1.482 2.676 4.077 0.9355 0.1969 -3.0625 + 1217SOL OW 5222 3.797 2.097 1.377 0.1857 -0.0926 -0.1887 + 1217SOL HW1 5223 3.748 2.015 1.386 0.4189 -0.2839 -0.6207 + 1217SOL HW2 5224 3.839 2.090 1.291 0.9963 0.0557 0.1870 + 1218SOL OW 5225 1.046 2.507 2.047 0.2917 -0.4394 -0.0321 + 1218SOL HW1 5226 1.062 2.437 2.110 -1.7281 -0.3401 0.6749 + 1218SOL HW2 5227 0.969 2.478 1.998 0.8259 0.2460 -1.3413 + 1219SOL OW 5228 1.362 0.388 4.805 0.7744 0.0237 -0.3578 + 1219SOL HW1 5229 1.414 0.460 4.842 0.0917 0.3437 -0.0002 + 1219SOL HW2 5230 1.295 0.431 4.753 0.9922 -0.3967 -0.9958 + 1220SOL OW 5231 2.546 3.139 4.661 -0.0307 0.4526 0.4282 + 1220SOL HW1 5232 2.583 3.142 4.749 -0.0957 -2.2557 0.6285 + 1220SOL HW2 5233 2.620 3.124 4.603 -0.2113 0.3888 0.2096 + 1221SOL OW 5234 0.029 6.011 0.316 -0.1429 0.3426 0.1118 + 1221SOL HW1 5235 0.106 6.041 0.364 -0.8433 1.4988 0.5569 + 1221SOL HW2 5236 0.057 5.929 0.274 1.8511 1.6012 -1.1517 + 1222SOL OW 5237 0.292 2.392 4.087 -0.2284 1.2553 0.5193 + 1222SOL HW1 5238 0.341 2.464 4.047 -0.5518 1.4520 0.4688 + 1222SOL HW2 5239 0.347 2.315 4.074 -0.1242 1.3966 0.0982 + 1223SOL OW 5240 0.583 2.742 4.434 0.4479 -0.7263 0.9680 + 1223SOL HW1 5241 0.518 2.800 4.475 -1.6009 0.3504 -3.2896 + 1223SOL HW2 5242 0.664 2.792 4.437 -0.6465 1.2413 -0.0830 + 1224SOL OW 5243 2.955 0.071 0.206 0.4436 0.1161 -0.1382 + 1224SOL HW1 5244 2.939 0.165 0.193 -0.8564 0.1441 1.3532 + 1224SOL HW2 5245 3.051 0.063 0.209 0.5717 1.3861 -0.3516 + 1225SOL OW 5246 4.731 6.071 0.115 -0.2493 0.3636 0.5576 + 1225SOL HW1 5247 4.772 6.004 0.061 0.3729 0.8641 0.3909 + 1225SOL HW2 5248 4.713 6.027 0.198 -3.0039 -0.9699 -0.6408 + 1226SOL OW 5249 1.449 3.735 5.061 -0.3699 0.6836 0.1920 + 1226SOL HW1 5250 1.484 3.796 4.996 1.3294 -0.0928 0.3237 + 1226SOL HW2 5251 1.500 3.753 5.140 -0.2541 -0.4791 0.4016 + 1227SOL OW 5252 0.663 0.559 3.314 0.3092 -0.4197 0.0847 + 1227SOL HW1 5253 0.576 0.536 3.282 0.5515 -0.8876 -0.2455 + 1227SOL HW2 5254 0.668 0.654 3.305 0.9576 -0.6439 -2.8355 + 1228SOL OW 5255 3.354 2.008 1.266 0.5067 0.0655 0.0696 + 1228SOL HW1 5256 3.276 1.958 1.241 1.2923 -1.5328 0.6950 + 1228SOL HW2 5257 3.335 2.041 1.353 0.1287 0.5774 -0.2001 + 1229SOL OW 5258 0.912 4.569 5.352 0.5646 -0.3841 0.7866 + 1229SOL HW1 5259 0.962 4.529 5.281 -0.0144 -1.3045 0.8786 + 1229SOL HW2 5260 0.911 4.503 5.420 -2.0836 -1.0508 0.2015 + 1230SOL OW 5261 0.859 2.836 5.144 0.0331 -0.3485 0.2178 + 1230SOL HW1 5262 0.769 2.867 5.133 0.3441 0.0365 -1.3624 + 1230SOL HW2 5263 0.894 2.889 5.216 -0.1457 1.4795 -0.9766 + 1231SOL OW 5264 5.962 2.886 3.453 0.4820 0.0136 -0.2237 + 1231SOL HW1 5265 6.005 2.972 3.457 0.5045 -0.0016 -0.1213 + 1231SOL HW2 5266 5.997 2.839 3.529 -0.6498 0.4363 0.5726 + 1232SOL OW 5267 1.018 0.675 4.034 -0.3547 -0.2849 -0.2178 + 1232SOL HW1 5268 1.051 0.757 3.996 2.2812 -1.0558 0.2132 + 1232SOL HW2 5269 1.018 0.692 4.129 1.1753 -1.0401 -0.0479 + 1233SOL OW 5270 0.012 0.359 4.364 -0.2613 -0.2247 0.3136 + 1233SOL HW1 5271 0.101 0.363 4.399 -1.0883 1.3496 2.4794 + 1233SOL HW2 5272 -0.008 0.449 4.337 -1.0744 -0.6399 -0.5531 + 1234SOL OW 5273 1.391 3.568 2.655 -1.0946 -0.6594 0.3284 + 1234SOL HW1 5274 1.314 3.581 2.711 -1.0971 -0.7478 0.3457 + 1234SOL HW2 5275 1.464 3.601 2.706 -1.4575 2.2539 -0.8225 + 1235SOL OW 5276 1.635 2.792 3.362 -0.1775 0.0974 1.3106 + 1235SOL HW1 5277 1.664 2.702 3.346 1.4735 1.0074 -1.6886 + 1235SOL HW2 5278 1.687 2.822 3.436 1.9366 -0.3452 0.0670 + 1236SOL OW 5279 4.891 1.046 4.069 0.4293 0.4223 -0.2250 + 1236SOL HW1 5280 4.964 1.004 4.024 0.6925 -0.4204 0.9237 + 1236SOL HW2 5281 4.920 1.136 4.083 1.8409 -0.2186 1.3483 + 1237SOL OW 5282 3.469 0.070 0.135 -0.1830 0.8373 0.2300 + 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0.5087 + 1243SOL OW 5300 0.011 0.660 4.620 0.0675 0.3217 -0.0707 + 1243SOL HW1 5301 0.030 0.708 4.540 -0.4352 1.1948 0.3185 + 1243SOL HW2 5302 0.031 0.569 4.598 -1.4361 0.3133 -1.6679 + 1244SOL OW 5303 5.004 5.354 0.207 0.0296 0.3363 -0.4287 + 1244SOL HW1 5304 4.915 5.321 0.194 -0.3486 1.1504 -0.0013 + 1244SOL HW2 5305 5.019 5.348 0.302 1.4084 -2.1813 -0.7306 + 1245SOL OW 5306 6.508 3.251 4.787 0.0056 0.4333 -0.0666 + 1245SOL HW1 5307 6.519 3.169 4.835 -1.1505 0.6525 0.6251 + 1245SOL HW2 5308 6.413 3.259 4.776 0.0889 1.7684 0.0400 + 1246SOL OW 5309 2.163 2.443 3.760 -0.4332 -0.7632 0.2102 + 1246SOL HW1 5310 2.089 2.481 3.714 -1.3284 0.0805 2.2081 + 1246SOL HW2 5311 2.143 2.457 3.853 1.5768 -1.7563 0.8518 + 1247SOL OW 5312 4.600 0.749 1.330 -0.3302 -0.2370 -0.2608 + 1247SOL HW1 5313 4.515 0.775 1.363 0.3806 0.9337 0.7341 + 1247SOL HW2 5314 4.595 0.763 1.236 -0.4601 2.2636 0.0498 + 1248SOL OW 5315 1.447 4.247 3.599 0.0535 -0.3677 0.3133 + 1248SOL HW1 5316 1.367 4.275 3.554 0.7438 2.1206 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1.179 1.4514 -1.4787 1.9500 + 1260SOL OW 5351 0.627 2.858 4.888 -0.1907 0.2168 0.1939 + 1260SOL HW1 5352 0.596 2.769 4.871 0.7576 0.2559 -2.2199 + 1260SOL HW2 5353 0.715 2.845 4.923 -0.9478 0.2040 2.1902 + 1261SOL OW 5354 4.256 6.094 0.769 0.2003 -0.1940 -0.3102 + 1261SOL HW1 5355 4.186 6.154 0.745 0.5737 0.2003 -0.4145 + 1261SOL HW2 5356 4.283 6.054 0.686 1.1555 0.8050 -0.4950 + 1262SOL OW 5357 3.306 5.583 0.060 -0.2083 0.0060 0.0499 + 1262SOL HW1 5358 3.343 5.503 0.023 0.5174 0.6496 -0.6805 + 1262SOL HW2 5359 3.331 5.581 0.152 3.4579 1.2954 -0.7191 + 1263SOL OW 5360 1.498 3.429 5.145 -0.0197 -0.2234 0.4620 + 1263SOL HW1 5361 1.502 3.491 5.217 -1.1015 -0.0428 0.3871 + 1263SOL HW2 5362 1.580 3.380 5.150 0.9801 1.3949 0.3376 + 1264SOL OW 5363 0.887 2.735 3.696 0.4537 -0.2258 0.2572 + 1264SOL HW1 5364 0.981 2.751 3.704 1.3267 -4.3552 0.1777 + 1264SOL HW2 5365 0.862 2.692 3.777 -1.5716 1.2050 0.4768 + 1265SOL OW 5366 6.102 1.220 4.527 0.1415 -0.3004 -0.1330 + 1265SOL HW1 5367 6.035 1.278 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6.497 0.664 0.428 0.5377 0.0478 0.2683 + 1271SOL HW1 5385 6.527 0.581 0.391 -1.6429 -0.6203 -0.1614 + 1271SOL HW2 5386 6.563 0.687 0.493 1.1703 -2.0575 0.4406 + 1272SOL OW 5387 3.483 0.986 5.294 -0.9496 -0.2214 -0.2115 + 1272SOL HW1 5388 3.402 0.935 5.303 0.0336 -1.7259 0.5843 + 1272SOL HW2 5389 3.475 1.029 5.209 -2.2640 -0.9539 -0.4798 + 1273SOL OW 5390 4.098 4.636 0.302 -0.1280 -0.3279 -0.4327 + 1273SOL HW1 5391 4.049 4.561 0.337 -0.4074 -0.4699 -1.1112 + 1273SOL HW2 5392 4.184 4.628 0.342 -0.7403 0.1132 1.0309 + 1274SOL OW 5393 3.541 2.186 4.847 -0.1627 0.5588 0.0407 + 1274SOL HW1 5394 3.467 2.125 4.839 -1.0940 1.6362 0.0956 + 1274SOL HW2 5395 3.523 2.235 4.927 0.9489 0.4246 0.3811 + 1275SOL OW 5396 5.847 6.211 0.373 0.3988 -0.2227 0.3387 + 1275SOL HW1 5397 5.766 6.178 0.334 0.0349 -0.5447 1.3324 + 1275SOL HW2 5398 5.852 6.167 0.458 1.3725 0.1584 0.4893 + 1276SOL OW 5399 0.921 2.198 5.302 0.0136 0.3915 0.2524 + 1276SOL HW1 5400 0.899 2.158 5.386 -1.5624 2.6860 1.0481 + 1276SOL HW2 5401 0.962 2.128 5.252 0.6585 -1.1687 2.7762 + 1277SOL OW 5402 5.619 2.356 4.026 -0.4572 -0.9460 0.0063 + 1277SOL HW1 5403 5.675 2.288 3.988 0.1902 -0.7140 0.5320 + 1277SOL HW2 5404 5.538 2.351 3.974 0.2292 -0.9312 -1.1098 + 1278SOL OW 5405 6.564 4.455 2.874 -0.8732 -0.5674 0.0222 + 1278SOL HW1 5406 6.527 4.424 2.956 1.2601 -1.7241 0.6375 + 1278SOL HW2 5407 6.655 4.478 2.895 -0.0597 -1.5171 -2.0910 + 1279SOL OW 5408 2.380 0.067 1.340 -0.1669 -0.5502 0.3559 + 1279SOL HW1 5409 2.323 0.112 1.277 0.3143 -1.2766 -0.6162 + 1279SOL HW2 5410 2.413 0.137 1.396 -1.2415 0.0074 0.3153 + 1280SOL OW 5411 3.981 1.595 1.095 0.2988 0.1711 -0.4322 + 1280SOL HW1 5412 4.069 1.632 1.090 1.0480 -0.9834 2.3191 + 1280SOL HW2 5413 3.923 1.671 1.099 0.8851 0.9835 -3.9928 + 1281SOL OW 5414 1.099 3.300 4.328 -0.5131 0.0622 -0.1400 + 1281SOL HW1 5415 1.165 3.311 4.259 0.3216 1.7377 0.8592 + 1281SOL HW2 5416 1.149 3.304 4.409 -1.7669 0.6819 0.6285 + 1282SOL OW 5417 1.201 3.488 1.382 -0.2333 0.0503 0.0185 + 1282SOL 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4.530 0.135 0.1428 -1.1241 -1.5521 + 1434SOL HW2 5875 0.400 4.439 0.233 0.2125 1.3306 0.9004 + 1435SOL OW 5876 0.665 2.920 0.764 0.3918 -0.8216 -0.3219 + 1435SOL HW1 5877 0.738 2.954 0.714 0.7436 -1.6476 -0.3938 + 1435SOL HW2 5878 0.706 2.869 0.834 -0.1073 -0.7368 0.0359 + 1436SOL OW 5879 0.620 4.798 2.500 0.3278 -0.3453 0.3567 + 1436SOL HW1 5880 0.640 4.891 2.491 0.0779 -0.1842 1.2997 + 1436SOL HW2 5881 0.636 4.761 2.413 0.2937 0.6004 -0.0655 + 1437SOL OW 5882 5.752 4.533 0.725 0.4473 0.2947 0.3905 + 1437SOL HW1 5883 5.789 4.607 0.677 1.3731 0.3676 1.1902 + 1437SOL HW2 5884 5.671 4.512 0.678 2.1195 -0.7321 -2.3062 + 1438SOL OW 5885 0.254 4.657 2.190 0.1705 0.0064 -0.1901 + 1438SOL HW1 5886 0.198 4.581 2.207 -0.8903 0.6955 -0.4376 + 1438SOL HW2 5887 0.343 4.624 2.197 -0.2669 -1.2860 -0.4367 + 1439SOL OW 5888 2.332 0.567 4.651 -0.0592 0.4158 -0.1945 + 1439SOL HW1 5889 2.275 0.616 4.592 0.4726 0.3751 -0.7452 + 1439SOL HW2 5890 2.414 0.616 4.652 0.1924 -0.0044 -0.0897 + 1440SOL OW 5891 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1451SOL HW1 5925 2.327 0.236 0.630 0.7076 -0.4108 0.1718 + 1451SOL HW2 5926 2.419 0.167 0.728 -0.6885 -1.4445 0.8048 + 1452SOL OW 5927 5.208 0.231 2.476 0.4568 0.0759 -0.0966 + 1452SOL HW1 5928 5.256 0.170 2.420 0.5905 -0.5272 0.6594 + 1452SOL HW2 5929 5.144 0.176 2.522 2.7024 -0.1491 3.0502 + 1453SOL OW 5930 2.306 1.641 5.347 -0.0475 -0.4988 0.2759 + 1453SOL HW1 5931 2.319 1.667 5.439 -0.8544 -0.4850 0.3984 + 1453SOL HW2 5932 2.239 1.573 5.351 -2.7247 1.8884 -0.5395 + 1454SOL OW 5933 1.870 4.317 1.400 0.0783 0.3593 -0.2865 + 1454SOL HW1 5934 1.830 4.340 1.484 -1.0975 -1.0191 -0.4394 + 1454SOL HW2 5935 1.815 4.247 1.365 0.7896 0.6117 -2.0224 + 1455SOL OW 5936 0.785 3.335 1.985 0.3075 -0.1813 0.1539 + 1455SOL HW1 5937 0.694 3.363 1.987 0.7695 1.5139 -0.9371 + 1455SOL HW2 5938 0.827 3.384 2.055 0.8306 0.8752 -0.8611 + 1456SOL OW 5939 1.587 3.835 0.839 0.0981 0.0123 0.2722 + 1456SOL HW1 5940 1.491 3.841 0.834 0.0532 -0.7612 0.0720 + 1456SOL HW2 5941 1.605 3.742 0.853 0.8594 -0.0285 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0.5336 0.0947 0.4944 + 1468SOL HW1 5976 1.940 4.990 1.565 1.0241 1.5549 1.0404 + 1468SOL HW2 5977 1.815 5.065 1.523 0.4014 0.4413 0.8432 + 1469SOL OW 5978 1.438 3.768 0.578 0.1947 0.3914 -0.3615 + 1469SOL HW1 5979 1.364 3.740 0.633 0.2122 -0.1316 -0.6065 + 1469SOL HW2 5980 1.455 3.694 0.521 0.6609 0.6614 -0.5741 + 1470SOL OW 5981 0.566 5.983 3.075 0.1631 0.2401 0.1079 + 1470SOL HW1 5982 0.634 5.955 3.012 1.1795 0.1011 1.2380 + 1470SOL HW2 5983 0.565 6.078 3.068 0.2502 0.2253 -0.1431 + 1471SOL OW 5984 2.841 1.023 4.905 0.0405 0.4484 0.0458 + 1471SOL HW1 5985 2.869 0.956 4.967 2.6595 1.6026 0.2368 + 1471SOL HW2 5986 2.851 1.105 4.954 0.2638 1.2270 -1.2757 + 1472SOL OW 5987 0.809 4.085 0.090 -0.3025 0.4233 -0.1460 + 1472SOL HW1 5988 0.770 4.101 0.175 -1.2947 -0.0391 -0.5003 + 1472SOL HW2 5989 0.776 4.156 0.035 -2.3372 -1.0844 -0.9671 + 1473SOL OW 5990 1.983 5.292 1.032 0.5439 -0.0617 0.4100 + 1473SOL HW1 5991 1.999 5.199 1.049 1.5617 0.2718 1.3852 + 1473SOL HW2 5992 2.045 5.315 0.963 0.3353 -0.0922 0.2124 + 1474SOL OW 5993 6.383 4.190 1.445 -0.3271 0.0949 -0.7549 + 1474SOL HW1 5994 6.340 4.196 1.531 2.6241 1.5526 0.7608 + 1474SOL HW2 5995 6.417 4.101 1.440 0.2352 0.2664 -0.0124 + 1475SOL OW 5996 5.219 6.131 5.049 0.1366 -0.0239 -0.1943 + 1475SOL HW1 5997 5.162 6.058 5.024 2.9798 -2.0970 -1.2224 + 1475SOL HW2 5998 5.259 6.158 4.967 1.8371 0.2091 0.6746 + 1476SOL OW 5999 0.580 4.201 1.744 0.4902 -0.2166 -0.4553 + 1476SOL HW1 6000 0.489 4.198 1.714 0.4976 -1.4856 -0.3939 + 1476SOL HW2 6001 0.622 4.126 1.701 1.6916 0.7550 -1.0373 + 1477SOL OW 6002 2.433 4.363 1.648 0.1270 0.3390 -0.4732 + 1477SOL HW1 6003 2.500 4.340 1.712 0.5032 1.1787 -0.5513 + 1477SOL HW2 6004 2.372 4.418 1.697 -1.0963 -1.2490 -0.1220 + 1478SOL OW 6005 1.624 5.463 2.608 0.0411 -0.1365 0.4673 + 1478SOL HW1 6006 1.639 5.375 2.574 0.6975 -0.4779 1.5700 + 1478SOL HW2 6007 1.544 5.454 2.661 0.5560 -0.2774 1.2370 + 1479SOL OW 6008 3.477 2.905 4.553 1.1060 -0.0760 -0.3821 + 1479SOL HW1 6009 3.397 2.936 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6060 6.495 5.647 3.092 -0.0107 1.5332 1.0547 + 1496SOL HW2 6061 6.498 5.712 2.955 0.5147 -0.2344 0.1943 + 1497SOL OW 6062 3.281 2.109 4.042 -0.2881 -0.3899 -0.6291 + 1497SOL HW1 6063 3.203 2.061 4.015 -0.4035 -0.3241 -0.4103 + 1497SOL HW2 6064 3.267 2.130 4.134 -0.7859 1.1100 -1.0100 + 1498SOL OW 6065 2.112 2.374 4.485 0.2774 -0.1468 -0.3579 + 1498SOL HW1 6066 2.178 2.428 4.442 -0.9612 -0.3238 -2.6356 + 1498SOL HW2 6067 2.036 2.432 4.493 0.2161 -0.3715 0.9285 + 1499SOL OW 6068 1.248 4.831 2.321 0.4573 0.1603 -0.0129 + 1499SOL HW1 6069 1.193 4.878 2.384 0.2802 -0.1984 0.1008 + 1499SOL HW2 6070 1.186 4.792 2.259 0.6619 1.2652 -0.9614 + 1500SOL OW 6071 5.115 1.888 0.602 0.2829 0.0202 0.1964 + 1500SOL HW1 6072 5.187 1.927 0.652 -1.5746 2.8783 0.8551 + 1500SOL HW2 6073 5.059 1.962 0.579 -3.2512 -2.1822 1.0000 + 1501SOL OW 6074 3.004 3.321 1.772 -0.3136 -0.4155 -0.0568 + 1501SOL HW1 6075 2.911 3.332 1.750 0.3409 1.9046 -2.2001 + 1501SOL HW2 6076 3.041 3.274 1.697 0.4812 -0.1450 0.1579 + 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3.079 0.7225 0.4511 0.4052 + 1530SOL HW1 6162 1.697 4.981 3.039 -0.4298 -0.4980 0.7707 + 1530SOL HW2 6163 1.707 4.857 3.125 1.9865 0.6392 2.2211 + 1531SOL OW 6164 2.687 4.384 1.480 0.5767 0.2350 -0.0381 + 1531SOL HW1 6165 2.733 4.376 1.563 -0.8020 -0.5914 0.6794 + 1531SOL HW2 6166 2.597 4.404 1.504 0.3459 0.9501 -1.3792 + 1532SOL OW 6167 1.040 4.507 1.078 0.0120 -0.1564 0.4354 + 1532SOL HW1 6168 1.128 4.545 1.085 0.2735 -0.9858 2.2546 + 1532SOL HW2 6169 1.047 4.423 1.125 -1.1678 -1.3268 -1.3607 + 1533SOL OW 6170 3.636 2.686 4.657 -0.0275 -0.2350 0.0249 + 1533SOL HW1 6171 3.596 2.757 4.607 -0.2828 0.4134 1.1367 + 1533SOL HW2 6172 3.713 2.661 4.605 0.2974 1.1234 -0.1742 + 1534SOL OW 6173 1.486 5.165 2.262 0.6096 -0.1219 0.1539 + 1534SOL HW1 6174 1.401 5.206 2.279 -0.8394 -2.1020 -1.7795 + 1534SOL HW2 6175 1.525 5.219 2.193 0.2605 -0.0084 0.0420 + 1535SOL OW 6176 1.379 5.176 0.717 -0.2328 0.1182 -0.2111 + 1535SOL HW1 6177 1.298 5.170 0.768 0.2706 -0.4333 0.5430 + 1535SOL HW2 6178 1.400 5.085 0.696 1.3460 0.0504 1.4687 + 1536SOL OW 6179 6.572 5.626 0.088 -0.4445 0.2092 0.0402 + 1536SOL HW1 6180 6.543 5.626 -0.003 -2.8839 -1.9701 0.7023 + 1536SOL HW2 6181 6.601 5.536 0.104 -1.6423 0.0823 1.8135 + 1537SOL OW 6182 4.575 0.032 1.882 0.5409 0.3250 0.3195 + 1537SOL HW1 6183 4.559 0.098 1.949 0.7561 -0.6851 1.4114 + 1537SOL HW2 6184 4.635 -0.031 1.924 -1.4919 -1.8274 0.2059 + 1538SOL OW 6185 1.907 4.901 0.740 -0.0267 -0.6949 -0.0085 + 1538SOL HW1 6186 1.851 4.828 0.767 0.3034 -1.0951 -0.3855 + 1538SOL HW2 6187 1.860 4.941 0.666 0.3465 -1.2399 -0.5427 + 1539SOL OW 6188 1.647 6.035 0.047 -0.4123 0.2044 -0.7141 + 1539SOL HW1 6189 1.570 6.050 0.102 -0.1078 0.8546 -0.4549 + 1539SOL HW2 6190 1.615 5.979 -0.024 -1.0462 0.2038 -0.4364 + 1540SOL OW 6191 1.154 4.745 1.872 0.2399 -0.2846 -0.4522 + 1540SOL HW1 6192 1.221 4.696 1.919 -1.2408 -0.8546 1.1960 + 1540SOL HW2 6193 1.138 4.822 1.927 -0.2063 0.0264 -1.0076 + 1541SOL OW 6194 1.337 4.603 0.520 0.4381 -0.4000 -0.2025 + 1541SOL HW1 6195 1.428 4.594 0.548 0.7250 -1.0200 -1.2734 + 1541SOL HW2 6196 1.341 4.597 0.424 -0.8035 -1.1511 -0.2232 + 1542SOL OW 6197 0.944 3.727 0.343 -0.1138 -0.3012 -0.1873 + 1542SOL HW1 6198 1.006 3.680 0.288 0.0194 -0.1709 -0.1513 + 1542SOL HW2 6199 0.886 3.660 0.378 -2.1411 -0.0997 -2.8911 + 1543SOL OW 6200 0.804 5.908 2.222 0.0910 -0.2385 -0.3593 + 1543SOL HW1 6201 0.871 5.844 2.200 0.4692 -0.0241 0.1592 + 1543SOL HW2 6202 0.790 5.957 2.140 0.4999 -0.3391 -0.4912 + 1544SOL OW 6203 0.191 2.735 1.993 0.2608 -0.0190 -0.3409 + 1544SOL HW1 6204 0.221 2.786 2.068 -0.7162 -0.8103 0.6216 + 1544SOL HW2 6205 0.172 2.648 2.030 -2.3373 0.1740 -1.0446 + 1545SOL OW 6206 0.526 3.460 2.388 -0.1716 0.2366 -0.1494 + 1545SOL HW1 6207 0.439 3.480 2.420 -0.6225 -3.0550 1.1348 + 1545SOL HW2 6208 0.571 3.422 2.464 1.0574 -1.5855 -1.6837 + 1546SOL OW 6209 2.790 0.575 3.867 -0.7779 0.1734 -0.2654 + 1546SOL HW1 6210 2.724 0.643 3.875 -3.2736 -2.2241 1.3931 + 1546SOL HW2 6211 2.841 0.581 3.948 -0.0996 0.8893 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1.450 -0.9837 1.1788 0.2575 + 1569SOL HW2 6280 0.755 4.476 1.427 0.8413 -0.1454 0.3978 + 1570SOL OW 6281 1.732 5.032 0.549 0.4002 0.2037 0.0782 + 1570SOL HW1 6282 1.753 5.091 0.476 0.1721 1.2127 0.7999 + 1570SOL HW2 6283 1.660 4.978 0.517 -0.6761 1.6145 0.0196 + 1571SOL OW 6284 1.439 2.715 0.721 -0.3464 -0.1485 0.2946 + 1571SOL HW1 6285 1.415 2.701 0.629 0.2750 1.4097 -0.1352 + 1571SOL HW2 6286 1.504 2.785 0.719 -0.4476 0.0403 1.9489 + 1572SOL OW 6287 5.626 4.908 0.578 0.7492 0.2627 -0.3966 + 1572SOL HW1 6288 5.704 4.931 0.630 0.3696 1.2133 -0.2319 + 1572SOL HW2 6289 5.600 4.990 0.537 0.4598 -0.2783 -1.3156 + 1573SOL OW 6290 1.598 4.617 1.909 0.2744 -0.1964 0.0896 + 1573SOL HW1 6291 1.631 4.527 1.911 -1.2194 -0.8618 -2.1814 + 1573SOL HW2 6292 1.532 4.620 1.978 0.6437 -0.6872 0.4730 + 1574SOL OW 6293 2.707 3.447 0.474 -0.5722 -0.1707 0.0810 + 1574SOL HW1 6294 2.622 3.443 0.430 -0.3792 0.1313 -0.3191 + 1574SOL HW2 6295 2.699 3.385 0.547 -0.5876 -1.3484 -0.8932 + 1575SOL OW 6296 0.705 5.106 3.626 -0.1559 0.0493 0.6117 + 1575SOL HW1 6297 0.691 5.199 3.608 1.2446 -0.0215 -1.1489 + 1575SOL HW2 6298 0.797 5.091 3.605 -0.6171 -1.9559 -0.2361 + 1576SOL OW 6299 3.323 0.252 2.614 -0.2728 0.2658 0.1940 + 1576SOL HW1 6300 3.410 0.213 2.606 -0.6023 -0.5705 0.5728 + 1576SOL HW2 6301 3.319 0.286 2.703 -0.4930 -0.1175 0.3354 + 1577SOL OW 6302 1.877 3.917 1.220 -0.8226 -0.3416 0.1881 + 1577SOL HW1 6303 1.853 3.837 1.267 0.2921 1.0123 3.3191 + 1577SOL HW2 6304 1.963 3.897 1.181 -0.8565 -0.8779 0.3808 + 1578SOL OW 6305 4.992 3.412 4.648 -0.0902 0.2587 -0.3728 + 1578SOL HW1 6306 4.997 3.455 4.734 -0.3826 3.1997 -1.6945 + 1578SOL HW2 6307 5.076 3.430 4.607 -0.8013 0.9756 -1.5725 + 1579SOL OW 6308 5.287 6.192 4.754 -0.5094 0.1851 -0.1938 + 1579SOL HW1 6309 5.357 6.257 4.763 0.2980 -0.1568 -2.9711 + 1579SOL HW2 6310 5.212 6.242 4.721 -2.4167 0.9100 4.4868 + 1580SOL OW 6311 2.620 2.202 5.315 -0.5763 -1.1418 0.2746 + 1580SOL HW1 6312 2.534 2.204 5.272 -0.7589 -1.6310 0.6115 + 1580SOL HW2 6313 2.682 2.189 5.243 -0.5030 1.9759 -0.3507 + 1581SOL OW 6314 3.323 1.653 5.182 0.3420 -0.5480 -0.0584 + 1581SOL HW1 6315 3.252 1.598 5.147 1.1215 -1.2795 -0.5315 + 1581SOL HW2 6316 3.403 1.610 5.152 0.9847 0.4856 0.1335 + 1582SOL OW 6317 4.461 0.668 1.703 0.5729 0.5783 -0.1506 + 1582SOL HW1 6318 4.365 0.660 1.702 0.3677 -0.2024 4.6965 + 1582SOL HW2 6319 4.493 0.579 1.686 0.4087 0.5660 -0.4046 + 1583SOL OW 6320 5.977 5.889 2.117 -0.3517 0.2702 -0.3268 + 1583SOL HW1 6321 5.996 5.963 2.176 -1.3688 -0.1237 0.5458 + 1583SOL HW2 6322 5.891 5.858 2.146 0.1882 -1.4573 -0.4771 + 1584SOL OW 6323 0.996 3.023 3.003 0.0142 0.1468 -0.3022 + 1584SOL HW1 6324 1.024 3.089 3.066 -0.5003 -0.4435 0.5620 + 1584SOL HW2 6325 1.077 2.997 2.959 0.5361 -0.0989 0.7608 + 1585SOL OW 6326 6.036 5.898 3.584 0.2874 -0.2758 0.1536 + 1585SOL HW1 6327 6.045 5.936 3.671 1.8495 1.5435 -0.7256 + 1585SOL HW2 6328 5.946 5.865 3.581 0.4543 -1.1395 2.7060 + 1586SOL OW 6329 1.967 5.177 2.837 -0.2723 -0.6236 0.1576 + 1586SOL HW1 6330 1.986 5.086 2.859 0.7647 -0.5186 -0.2773 + 1586SOL HW2 6331 1.950 5.177 2.743 -2.0275 -0.6305 0.4341 + 1587SOL OW 6332 1.165 4.589 1.454 -0.1821 0.1079 0.0069 + 1587SOL HW1 6333 1.213 4.568 1.374 0.2991 0.3979 0.2155 + 1587SOL HW2 6334 1.153 4.504 1.497 -0.2092 -0.0149 -0.2422 + 1588SOL OW 6335 2.041 3.913 2.435 0.4318 0.1254 -0.1357 + 1588SOL HW1 6336 1.971 3.855 2.465 -0.3056 2.0220 2.0709 + 1588SOL HW2 6337 2.006 3.954 2.356 0.2580 -1.0759 -0.7016 + 1589SOL OW 6338 6.018 6.190 0.840 -0.4617 0.0417 -0.1477 + 1589SOL HW1 6339 6.020 6.153 0.928 1.6982 -0.6219 -0.4244 + 1589SOL HW2 6340 5.942 6.249 0.840 -2.1142 -1.9624 1.2960 + 1590SOL OW 6341 -0.026 1.975 4.548 -0.2814 0.3479 -0.3695 + 1590SOL HW1 6342 -0.024 2.069 4.526 -1.9236 0.5310 0.1612 + 1590SOL HW2 6343 0.066 1.952 4.560 0.0783 2.2578 0.9755 + 1591SOL OW 6344 3.239 0.281 1.979 -0.1871 0.5849 -0.3911 + 1591SOL HW1 6345 3.279 0.197 2.003 0.1032 0.5680 -0.9202 + 1591SOL HW2 6346 3.299 0.319 1.915 0.6473 2.0415 1.1706 + 1592SOL OW 6347 2.252 0.404 0.131 0.6459 0.0070 -0.4338 + 1592SOL HW1 6348 2.239 0.404 0.036 -1.4040 3.0078 -0.2940 + 1592SOL HW2 6349 2.304 0.482 0.149 1.8814 -1.0642 0.8819 + 1593SOL OW 6350 4.453 4.764 1.235 -0.6708 -0.1637 0.6028 + 1593SOL HW1 6351 4.506 4.799 1.307 -1.4786 -0.2937 1.2728 + 1593SOL HW2 6352 4.505 4.691 1.202 0.7833 1.3031 -0.4777 + 1594SOL OW 6353 1.251 4.397 3.490 -0.4251 -0.9258 -0.3020 + 1594SOL HW1 6354 1.173 4.396 3.435 0.5149 0.3415 -1.7440 + 1594SOL HW2 6355 1.272 4.490 3.499 0.5622 -1.2214 0.6043 + 1595SOL OW 6356 4.683 1.955 2.963 -0.4582 -0.2912 0.1395 + 1595SOL HW1 6357 4.614 2.018 2.945 -0.9769 -0.7403 0.5227 + 1595SOL HW2 6358 4.681 1.894 2.888 -0.7438 -0.5348 0.3449 + 1596SOL OW 6359 0.589 3.380 3.581 0.1968 -0.2606 0.4231 + 1596SOL HW1 6360 0.678 3.347 3.569 0.0284 0.0565 -2.3918 + 1596SOL HW2 6361 0.533 3.312 3.544 -0.4580 1.0077 -1.0307 + 1597SOL OW 6362 0.437 5.861 1.301 0.2666 0.2501 -0.3406 + 1597SOL HW1 6363 0.369 5.908 1.254 -1.0449 -2.5956 -1.4970 + 1597SOL HW2 6364 0.503 5.841 1.235 0.1339 -0.6913 -0.2067 + 1598SOL OW 6365 1.543 2.162 4.381 -0.1305 0.3314 0.6531 + 1598SOL HW1 6366 1.468 2.107 4.405 -0.5832 -0.5345 -2.4080 + 1598SOL HW2 6367 1.605 2.151 4.454 -1.5821 -1.5860 1.6879 + 1599SOL OW 6368 6.587 3.584 0.680 0.9968 0.5602 0.5768 + 1599SOL HW1 6369 6.573 3.658 0.620 0.9625 0.0023 -0.1170 + 1599SOL HW2 6370 6.505 3.577 0.729 1.1184 1.1869 0.8857 + 1600SOL OW 6371 1.054 4.565 2.652 0.1746 0.3225 0.2101 + 1600SOL HW1 6372 1.040 4.532 2.741 1.3830 0.9024 0.6415 + 1600SOL HW2 6373 1.131 4.621 2.659 0.0481 0.7058 -1.1321 + 1601SOL OW 6374 1.591 5.212 2.500 -0.0971 -0.5965 0.0860 + 1601SOL HW1 6375 1.574 5.193 2.408 -1.6517 1.1618 -0.0412 + 1601SOL HW2 6376 1.513 5.181 2.546 -0.2444 0.3930 0.5301 + 1602SOL OW 6377 1.378 4.260 3.115 -0.1074 0.3799 -0.1285 + 1602SOL HW1 6378 1.366 4.275 3.021 -1.3986 0.5864 0.0384 + 1602SOL HW2 6379 1.290 4.236 3.146 0.4924 -0.5917 0.8696 + 1603SOL OW 6380 1.633 3.759 2.696 0.0852 0.2404 -0.2947 + 1603SOL HW1 6381 1.711 3.748 2.750 0.2505 -0.0673 -0.5927 + 1603SOL HW2 6382 1.667 3.766 2.607 0.1578 4.2572 -0.1654 + 1604SOL OW 6383 1.215 4.475 0.719 -0.4767 -0.0603 0.0862 + 1604SOL HW1 6384 1.249 4.528 0.647 1.8601 0.3943 1.4154 + 1604SOL HW2 6385 1.231 4.385 0.692 -4.5012 -0.3463 -2.2007 + 1605SOL OW 6386 2.157 5.579 2.310 0.5879 -0.0861 -0.1864 + 1605SOL HW1 6387 2.225 5.589 2.243 1.4041 2.0243 0.8497 + 1605SOL HW2 6388 2.087 5.638 2.281 0.9143 0.7821 0.7164 + 1606SOL OW 6389 5.458 5.555 0.875 -0.1337 0.0368 -0.1033 + 1606SOL HW1 6390 5.523 5.486 0.857 1.9790 1.9155 -0.2024 + 1606SOL HW2 6391 5.404 5.557 0.796 1.2717 0.0298 -1.1057 + 1607SOL OW 6392 0.436 5.748 2.397 0.2522 0.1813 -0.2210 + 1607SOL HW1 6393 0.416 5.726 2.306 0.4099 -0.8015 -0.0322 + 1607SOL HW2 6394 0.372 5.816 2.420 -1.1899 -1.0347 -0.4368 + 1608SOL OW 6395 0.964 6.065 3.180 0.1971 0.9699 -0.6746 + 1608SOL HW1 6396 0.952 6.115 3.100 1.3901 2.0079 -0.2384 + 1608SOL HW2 6397 0.879 6.071 3.225 -0.8137 -0.5071 -2.3008 + 1609SOL OW 6398 1.136 4.624 3.247 0.3018 -0.2390 -0.0280 + 1609SOL HW1 6399 1.165 4.709 3.214 -0.5665 -0.3799 -1.2069 + 1609SOL HW2 6400 1.098 4.644 3.333 0.8729 0.4321 0.0748 + 1610SOL OW 6401 0.249 3.706 1.989 0.0468 0.2704 0.6628 + 1610SOL HW1 6402 0.304 3.783 1.974 1.9725 -0.8928 1.2846 + 1610SOL HW2 6403 0.253 3.656 1.907 -1.7285 1.0899 0.0309 + 1611SOL OW 6404 1.024 5.077 2.373 -0.7865 0.2212 0.1682 + 1611SOL HW1 6405 1.072 5.155 2.343 -3.2645 2.1951 0.9714 + 1611SOL HW2 6406 0.992 5.036 2.292 2.6604 -1.6090 -0.4524 + 1612SOL OW 6407 6.062 2.700 1.744 -0.1368 -0.0272 -0.5854 + 1612SOL HW1 6408 6.096 2.782 1.709 1.8342 -0.0452 1.0631 + 1612SOL HW2 6409 5.985 2.726 1.795 1.4100 1.1380 1.3060 + 1613SOL OW 6410 6.237 4.565 1.470 -0.4416 0.2907 -0.5290 + 1613SOL HW1 6411 6.294 4.548 1.545 2.1215 0.0505 -2.3895 + 1613SOL HW2 6412 6.190 4.646 1.492 0.7982 0.6238 1.0085 + 1614SOL OW 6413 1.456 4.455 3.331 0.5178 -0.2917 0.0462 + 1614SOL HW1 6414 1.400 4.419 3.399 0.4526 0.7864 0.5821 + 1614SOL HW2 6415 1.443 4.397 3.256 -0.5057 -0.6660 0.5006 + 1615SOL OW 6416 1.771 4.456 3.831 0.3170 0.0122 -0.3289 + 1615SOL HW1 6417 1.736 4.521 3.891 0.2042 -0.8788 0.5896 + 1615SOL HW2 6418 1.802 4.507 3.756 1.1616 1.2262 0.7944 + 1616SOL OW 6419 0.762 4.808 3.249 0.1269 -0.4570 0.2767 + 1616SOL HW1 6420 0.795 4.841 3.333 0.8187 0.1694 -0.2213 + 1616SOL HW2 6421 0.667 4.820 3.254 0.0632 -1.2510 1.3071 + 1617SOL OW 6422 1.902 5.463 2.201 -0.3145 0.0471 -0.2156 + 1617SOL HW1 6423 1.950 5.546 2.200 0.5048 -0.4187 -0.3755 + 1617SOL HW2 6424 1.932 5.419 2.281 -2.1433 0.6848 0.8907 + 1618SOL OW 6425 1.064 4.156 2.862 -0.1650 -0.0862 -0.5440 + 1618SOL HW1 6426 1.075 4.078 2.915 -0.5068 -0.0660 -0.4408 + 1618SOL HW2 6427 0.970 4.175 2.867 -0.1238 0.1789 -0.7790 + 1619SOL OW 6428 0.487 5.081 3.912 0.6605 -0.1781 -0.0070 + 1619SOL HW1 6429 0.447 5.032 3.984 1.5066 -0.5789 0.2081 + 1619SOL HW2 6430 0.464 5.032 3.834 -0.1988 0.2151 -0.0047 + 1620SOL OW 6431 5.675 0.253 3.657 -0.7355 -0.2641 0.1350 + 1620SOL HW1 6432 5.584 0.241 3.631 -0.2230 -1.4684 -1.2550 + 1620SOL HW2 6433 5.709 0.165 3.667 0.2962 0.1666 0.5865 + 1621SOL OW 6434 6.550 4.143 3.505 0.5751 -0.0651 0.5847 + 1621SOL HW1 6435 6.631 4.126 3.456 -0.5849 -0.5948 -1.2345 + 1621SOL HW2 6436 6.575 4.130 3.597 2.2279 -1.6345 -0.0144 + 1622SOL OW 6437 1.847 3.374 5.246 -0.5142 -0.3560 -0.1084 + 1622SOL HW1 6438 1.928 3.376 5.296 -1.3464 0.1767 1.2567 + 1622SOL HW2 6439 1.804 3.457 5.266 -1.6416 -0.8532 -0.3850 + 1623SOL OW 6440 0.050 4.057 3.735 -0.2510 0.1153 -0.1501 + 1623SOL HW1 6441 0.048 4.140 3.783 1.3998 -0.9514 1.9296 + 1623SOL HW2 6442 0.127 4.011 3.769 -1.5682 -2.6224 -0.6004 + 1624SOL OW 6443 5.995 2.040 5.125 -0.5149 -0.2532 -0.7880 + 1624SOL HW1 6444 5.951 2.100 5.064 -1.6122 -1.0014 -0.7538 + 1624SOL HW2 6445 5.939 1.962 5.126 -1.3172 0.2650 2.2892 + 1625SOL OW 6446 6.104 3.836 1.533 -0.2620 -0.2650 0.1282 + 1625SOL HW1 6447 6.166 3.824 1.462 -1.1650 -2.4595 -0.3790 + 1625SOL HW2 6448 6.122 3.763 1.593 0.7381 1.7250 2.4445 + 1626SOL OW 6449 5.770 6.104 2.709 0.3133 0.3034 0.0004 + 1626SOL HW1 6450 5.833 6.032 2.709 1.4327 1.2504 0.1472 + 1626SOL HW2 6451 5.792 6.155 2.787 -0.4251 0.8399 -0.1319 + 1627SOL OW 6452 5.049 2.585 1.874 -0.1568 -0.8159 -0.0232 + 1627SOL HW1 6453 4.963 2.584 1.832 -0.2497 0.4724 0.1228 + 1627SOL HW2 6454 5.109 2.554 1.806 -0.4979 -0.0644 -0.6791 + 1628SOL OW 6455 1.915 5.203 3.094 -0.0488 -0.0493 0.3467 + 1628SOL HW1 6456 1.833 5.251 3.096 -0.6212 -0.9862 0.1345 + 1628SOL HW2 6457 1.934 5.191 3.001 -0.3869 -0.9895 0.3879 + 1629SOL OW 6458 1.976 4.286 3.995 0.2208 -0.3842 0.5538 + 1629SOL HW1 6459 1.927 4.204 3.993 0.8450 -0.7834 -2.6793 + 1629SOL HW2 6460 2.029 4.280 4.074 0.9315 -3.5498 -0.0321 + 1630SOL OW 6461 0.870 5.447 3.368 -0.0777 0.3181 -0.0670 + 1630SOL HW1 6462 0.843 5.439 3.277 -1.2667 -1.3036 0.3867 + 1630SOL HW2 6463 0.944 5.508 3.366 -0.7964 1.1931 -1.9518 + 1631SOL OW 6464 0.503 3.443 1.972 -0.0369 -0.0676 0.2700 + 1631SOL HW1 6465 0.431 3.467 1.913 -0.3016 -1.2563 0.0878 + 1631SOL HW2 6466 0.461 3.392 2.041 0.5815 -0.4696 0.3517 + 1632SOL OW 6467 1.079 4.575 3.999 0.0967 -0.1685 0.2696 + 1632SOL HW1 6468 1.041 4.647 3.949 -0.6355 -0.5829 0.2159 + 1632SOL HW2 6469 1.173 4.586 3.988 -0.0395 -0.3101 -1.3023 + 1633SOL OW 6470 0.096 6.213 3.358 -0.0101 0.2936 -0.3754 + 1633SOL HW1 6471 0.033 6.143 3.340 0.4901 0.2459 -2.1085 + 1633SOL HW2 6472 0.044 6.293 3.357 0.0406 0.3667 -2.8506 + 1634SOL OW 6473 1.993 5.533 3.809 -0.5149 0.5299 0.3611 + 1634SOL HW1 6474 1.946 5.523 3.892 1.0218 -0.5205 1.1648 + 1634SOL HW2 6475 2.080 5.562 3.835 -0.1411 0.5917 -0.9205 + 1635SOL OW 6476 0.180 5.764 5.114 -0.3960 0.0417 -0.4052 + 1635SOL HW1 6477 0.228 5.682 5.120 -1.9650 -1.2528 -3.4601 + 1635SOL HW2 6478 0.130 5.769 5.196 1.8067 -0.5727 1.0442 + 1636SOL OW 6479 1.199 4.791 2.920 0.0422 0.0641 0.0829 + 1636SOL HW1 6480 1.111 4.823 2.939 -0.2126 -0.4257 -0.2620 + 1636SOL HW2 6481 1.248 4.805 3.002 -0.4079 0.1436 0.3409 + 1637SOL OW 6482 1.343 5.025 3.531 -0.1781 -0.3474 -0.2789 + 1637SOL HW1 6483 1.431 5.004 3.560 0.2850 1.9305 0.1070 + 1637SOL HW2 6484 1.289 5.018 3.610 0.3521 1.8331 0.3285 + 1638SOL OW 6485 6.043 4.000 4.484 0.2151 -0.5962 0.0658 + 1638SOL HW1 6486 6.131 4.036 4.479 -0.1141 0.3343 0.4941 + 1638SOL HW2 6487 5.995 4.063 4.539 -0.9893 -0.5075 -1.0379 + 1639SOL OW 6488 1.326 4.733 2.680 -0.2169 -0.8691 -0.6131 + 1639SOL HW1 6489 1.271 4.794 2.630 0.4303 0.3439 0.1079 + 1639SOL HW2 6490 1.308 4.754 2.772 -3.1950 -4.6344 -0.0848 + 1640SOL OW 6491 0.742 4.311 3.378 -0.1529 -0.2561 -0.3345 + 1640SOL HW1 6492 0.700 4.397 3.385 0.5966 0.0955 -0.0443 + 1640SOL HW2 6493 0.676 4.255 3.336 -0.4325 0.6044 -1.0639 + 1641SOL OW 6494 1.531 2.843 2.266 0.0852 -0.4456 -0.1543 + 1641SOL HW1 6495 1.560 2.758 2.232 -1.9735 -1.3610 0.1933 + 1641SOL HW2 6496 1.467 2.873 2.201 0.1499 0.4040 0.1747 + 1642SOL OW 6497 2.970 0.062 2.870 -0.0424 -0.2591 0.5872 + 1642SOL HW1 6498 2.967 0.034 2.961 3.4763 0.5415 1.1065 + 1642SOL HW2 6499 2.961 0.157 2.873 2.1182 0.0146 0.4382 + 1643SOL OW 6500 0.079 2.995 2.506 0.2718 0.5500 0.1818 + 1643SOL HW1 6501 -0.005 3.012 2.549 -0.4937 0.6620 -1.2854 + 1643SOL HW2 6502 0.081 2.901 2.491 1.2725 0.2649 1.8589 + 1644SOL OW 6503 3.170 0.441 3.197 -0.1454 -0.0335 0.3211 + 1644SOL HW1 6504 3.252 0.408 3.158 -0.6889 -1.2297 0.1630 + 1644SOL HW2 6505 3.108 0.370 3.187 -0.8157 0.3056 1.7841 + 1645SOL OW 6506 1.384 4.259 4.006 -0.1002 -0.6865 -0.1176 + 1645SOL HW1 6507 1.368 4.189 4.070 0.9099 -1.5054 -0.7235 + 1645SOL HW2 6508 1.479 4.263 3.999 -0.1788 0.0524 -0.8599 + 1646SOL OW 6509 6.313 3.624 1.143 -0.3783 0.0124 -0.1849 + 1646SOL HW1 6510 6.264 3.546 1.167 1.2157 -1.3452 -1.1276 + 1646SOL HW2 6511 6.401 3.608 1.176 -0.0013 1.4063 -0.4491 + 1647SOL OW 6512 0.818 3.670 3.470 0.0640 0.3686 -0.9972 + 1647SOL HW1 6513 0.819 3.670 3.566 -3.1984 0.6652 -0.8635 + 1647SOL HW2 6514 0.910 3.680 3.446 1.0833 -0.3908 2.0632 + 1648SOL OW 6515 5.163 3.238 2.027 -1.2206 0.0352 0.3919 + 1648SOL HW1 6516 5.210 3.320 2.012 -0.8881 -0.2522 -0.1413 + 1648SOL HW2 6517 5.190 3.212 2.116 -1.9148 0.8783 0.8708 + 1649SOL OW 6518 1.477 5.058 3.170 0.8806 0.0495 -0.0392 + 1649SOL HW1 6519 1.421 5.119 3.219 -0.3058 -0.2198 -1.0247 + 1649SOL HW2 6520 1.555 5.109 3.149 -0.2783 1.3955 -1.2307 + 1650SOL OW 6521 2.547 6.126 4.899 0.7346 -0.0187 -0.1067 + 1650SOL HW1 6522 2.642 6.115 4.899 0.8730 1.0754 -0.3311 + 1650SOL HW2 6523 2.513 6.037 4.890 1.7376 -0.3987 -0.3049 + 1651SOL OW 6524 1.756 3.913 3.300 0.2312 0.3828 0.7735 + 1651SOL HW1 6525 1.719 3.918 3.212 -0.1979 0.6628 0.9665 + 1651SOL HW2 6526 1.726 3.993 3.343 -0.4306 -0.2357 1.5087 + 1652SOL OW 6527 1.199 4.099 3.259 0.7375 -0.1453 0.3825 + 1652SOL HW1 6528 1.248 4.048 3.324 0.5224 1.9779 2.3291 + 1652SOL HW2 6529 1.126 4.137 3.308 -1.3334 -0.9600 -1.8254 + 1653SOL OW 6530 0.830 3.100 1.305 -0.0125 -0.7556 -0.6218 + 1653SOL HW1 6531 0.747 3.079 1.347 0.1434 0.8780 0.5959 + 1653SOL HW2 6532 0.835 3.195 1.308 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5.377 3.831 -2.6572 0.0338 0.6871 + 1671SOL OW 6584 1.691 2.158 0.818 -0.2428 0.1787 -0.0977 + 1671SOL HW1 6585 1.689 2.247 0.783 2.4567 0.1251 -0.5484 + 1671SOL HW2 6586 1.655 2.167 0.907 3.3848 2.5506 1.3823 + 1672SOL OW 6587 5.493 4.250 1.587 -0.5963 0.3722 -0.1389 + 1672SOL HW1 6588 5.574 4.219 1.547 0.6619 0.5059 2.1507 + 1672SOL HW2 6589 5.472 4.331 1.541 -1.4431 -1.3711 -3.1287 + 1673SOL OW 6590 0.781 6.144 3.432 1.1193 -0.0622 0.2755 + 1673SOL HW1 6591 0.768 6.155 3.526 0.2379 1.6627 0.0008 + 1673SOL HW2 6592 0.842 6.213 3.408 1.1834 -0.3676 -0.4568 + 1674SOL OW 6593 1.220 4.889 3.176 0.0871 0.1651 0.2004 + 1674SOL HW1 6594 1.308 4.927 3.174 0.4972 -0.6280 1.4575 + 1674SOL HW2 6595 1.165 4.957 3.215 0.5030 0.0546 1.0075 + 1675SOL OW 6596 1.684 5.550 4.514 0.1955 0.2868 -0.3756 + 1675SOL HW1 6597 1.640 5.573 4.596 2.3706 0.5159 0.8030 + 1675SOL HW2 6598 1.647 5.466 4.489 -1.2011 0.6806 0.3016 + 1676SOL OW 6599 4.902 4.707 0.769 -0.0542 -0.2416 0.5030 + 1676SOL HW1 6600 4.933 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1693SOL HW1 6651 6.267 3.187 4.998 -0.7801 -0.1145 -1.6236 + 1693SOL HW2 6652 6.121 3.155 4.978 -1.5839 0.8334 1.9534 + 1694SOL OW 6653 0.049 4.406 3.348 -0.3456 0.2716 0.0698 + 1694SOL HW1 6654 0.049 4.316 3.379 0.6992 -0.1092 -0.9843 + 1694SOL HW2 6655 0.076 4.458 3.424 -0.2475 -0.3624 0.4759 + 1695SOL OW 6656 0.824 5.531 2.510 0.3773 0.3349 0.2166 + 1695SOL HW1 6657 0.820 5.530 2.606 -2.7388 -0.8042 0.2011 + 1695SOL HW2 6658 0.789 5.616 2.485 2.9664 1.4071 0.0322 + 1696SOL OW 6659 0.000 3.608 2.138 0.3798 0.0037 -0.0523 + 1696SOL HW1 6660 0.063 3.659 2.088 1.2085 -0.5540 0.3810 + 1696SOL HW2 6661 -0.008 3.525 2.090 -0.3493 0.2287 -0.3292 + 1697SOL OW 6662 0.667 3.936 2.626 0.8832 -0.6097 -0.2605 + 1697SOL HW1 6663 0.712 4.019 2.642 -1.0536 0.7392 -1.4648 + 1697SOL HW2 6664 0.620 3.918 2.707 0.0280 0.3361 -0.5306 + 1698SOL OW 6665 4.506 0.489 0.346 0.5242 -0.3658 0.3490 + 1698SOL HW1 6666 4.540 0.402 0.324 -1.7072 -0.6356 -2.7597 + 1698SOL HW2 6667 4.423 0.471 0.392 -0.3900 0.0285 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0.1273 -0.8496 -0.9367 + 1716SOL OW 6719 5.905 5.131 3.192 -0.3891 0.3023 0.1319 + 1716SOL HW1 6720 5.901 5.101 3.283 -0.4958 0.5207 0.1998 + 1716SOL HW2 6721 5.999 5.135 3.173 -0.3743 -0.9172 -0.1618 + 1717SOL OW 6722 1.911 4.705 3.482 0.4130 0.0426 -0.9074 + 1717SOL HW1 6723 1.971 4.756 3.426 1.8716 -0.4879 0.1016 + 1717SOL HW2 6724 1.943 4.721 3.571 -0.9996 -0.2355 -0.3329 + 1718SOL OW 6725 6.369 5.383 2.743 0.1082 -0.0429 -0.0135 + 1718SOL HW1 6726 6.282 5.360 2.711 -0.2916 3.1349 -1.6273 + 1718SOL HW2 6727 6.427 5.364 2.670 0.3756 0.0428 0.1772 + 1719SOL OW 6728 0.294 4.931 4.159 0.6589 0.1449 -0.5054 + 1719SOL HW1 6729 0.326 4.842 4.151 0.3023 -0.1973 1.4452 + 1719SOL HW2 6730 0.200 4.921 4.176 0.7672 0.8125 0.6305 + 1720SOL OW 6731 0.404 5.063 2.858 0.3596 0.2990 0.0936 + 1720SOL HW1 6732 0.494 5.094 2.846 0.3458 0.5390 0.5830 + 1720SOL HW2 6733 0.413 4.968 2.868 0.7363 0.4740 1.7040 + 1721SOL OW 6734 6.475 3.525 0.115 0.1965 -0.0490 -0.1308 + 1721SOL HW1 6735 6.498 3.434 0.096 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0.226 3.155 -0.1390 0.4716 0.2432 + 1727SOL HW1 6753 2.912 0.214 3.196 -0.1860 0.8046 0.2427 + 1727SOL HW2 6754 2.979 0.228 3.061 0.1546 -2.0436 0.0555 + 1728SOL OW 6755 2.272 6.009 3.789 -0.2365 -0.3288 -0.1811 + 1728SOL HW1 6756 2.307 5.921 3.800 -0.3196 -0.2297 0.9511 + 1728SOL HW2 6757 2.333 6.066 3.836 -1.4376 -0.0638 1.1138 + 1729SOL OW 6758 2.208 4.735 1.142 -0.0359 -0.6461 0.0236 + 1729SOL HW1 6759 2.275 4.803 1.131 -1.5179 1.0514 0.8413 + 1729SOL HW2 6760 2.173 4.752 1.230 -2.0566 -0.9696 -0.6922 + 1730SOL OW 6761 0.924 4.602 1.841 0.3763 0.1161 0.2231 + 1730SOL HW1 6762 0.985 4.675 1.851 0.2823 0.0553 1.3958 + 1730SOL HW2 6763 0.957 4.535 1.900 0.8188 -1.0586 -1.2992 + 1731SOL OW 6764 1.188 4.371 4.423 -0.4502 -0.7247 0.2636 + 1731SOL HW1 6765 1.138 4.364 4.342 -0.9612 0.1194 0.4854 + 1731SOL HW2 6766 1.276 4.395 4.396 -0.7228 -0.0305 -0.0218 + 1732SOL OW 6767 0.652 3.583 3.069 0.2975 0.0080 0.9302 + 1732SOL HW1 6768 0.684 3.548 3.152 2.6376 -0.1853 0.0197 + 1732SOL HW2 6769 0.661 3.678 3.078 -0.5543 0.0638 1.2924 + 1733SOL OW 6770 6.175 5.755 4.263 0.6419 -0.3017 0.4877 + 1733SOL HW1 6771 6.104 5.691 4.269 0.6486 -0.6777 -2.0838 + 1733SOL HW2 6772 6.154 5.821 4.329 -1.0870 -1.3454 1.0444 + 1734SOL OW 6773 1.803 3.670 2.895 0.1946 -0.2786 0.3374 + 1734SOL HW1 6774 1.808 3.574 2.899 -0.2816 -0.2747 1.4894 + 1734SOL HW2 6775 1.893 3.699 2.909 0.2411 -0.5511 0.6179 + 1735SOL OW 6776 0.316 5.569 2.190 -0.1492 -0.3775 -0.2505 + 1735SOL HW1 6777 0.320 5.473 2.198 -0.7689 -0.3094 1.2147 + 1735SOL HW2 6778 0.238 5.585 2.137 -0.2469 -0.6721 -0.1978 + 1736SOL OW 6779 6.409 4.487 4.293 0.5890 0.2415 0.2388 + 1736SOL HW1 6780 6.466 4.562 4.280 -0.6972 1.2899 0.4523 + 1736SOL HW2 6781 6.325 4.524 4.321 -0.0675 -1.2723 0.4187 + 1737SOL OW 6782 1.726 5.502 3.007 -0.3531 -0.1559 -0.0415 + 1737SOL HW1 6783 1.749 5.421 2.962 1.7047 -0.3549 1.2469 + 1737SOL HW2 6784 1.808 5.552 3.011 -0.5513 0.1262 2.8203 + 1738SOL OW 6785 1.120 2.834 3.554 -0.7234 0.7523 0.0140 + 1738SOL HW1 6786 1.061 2.908 3.540 0.1909 1.4801 -0.1759 + 1738SOL HW2 6787 1.189 2.869 3.611 -0.1296 0.1289 -0.3048 + 1739SOL OW 6788 0.556 5.756 4.147 0.2510 -0.1655 -0.2083 + 1739SOL HW1 6789 0.609 5.751 4.068 0.2257 -0.4373 -0.2095 + 1739SOL HW2 6790 0.560 5.848 4.173 1.3828 -0.3218 0.2411 + 1740SOL OW 6791 5.908 0.874 4.009 0.7058 -0.0760 -0.1184 + 1740SOL HW1 6792 5.842 0.824 4.057 0.5814 1.7508 1.7423 + 1740SOL HW2 6793 5.860 0.947 3.971 1.4318 0.6471 0.3033 + 1741SOL OW 6794 0.218 4.672 0.206 0.0087 0.4175 0.1672 + 1741SOL HW1 6795 0.263 4.594 0.174 -1.0668 -0.9063 1.7442 + 1741SOL HW2 6796 0.273 4.745 0.176 1.7299 -0.9832 -0.2626 + 1742SOL OW 6797 0.618 4.755 3.688 -0.1278 0.0194 0.0776 + 1742SOL HW1 6798 0.591 4.841 3.654 0.6974 -0.1625 -1.0898 + 1742SOL HW2 6799 0.713 4.753 3.675 -0.1177 -1.0072 0.2484 + 1743SOL OW 6800 6.389 4.203 3.285 -0.1676 -0.5383 0.4600 + 1743SOL HW1 6801 6.409 4.129 3.228 0.7150 0.0632 -0.0339 + 1743SOL HW2 6802 6.440 4.187 3.364 1.8083 0.6207 -0.5101 + 1744SOL OW 6803 1.735 4.409 1.634 -0.6172 0.2881 0.1720 + 1744SOL HW1 6804 1.641 4.404 1.649 -0.5499 1.1021 0.9660 + 1744SOL HW2 6805 1.767 4.469 1.701 0.0284 2.3771 -1.8443 + 1745SOL OW 6806 1.300 3.627 2.134 -0.4124 0.4592 -0.1577 + 1745SOL HW1 6807 1.217 3.670 2.119 -0.6202 -0.3963 -1.7076 + 1745SOL HW2 6808 1.304 3.614 2.229 -1.7962 0.9491 -0.0110 + 1746SOL OW 6809 1.111 3.748 3.909 -0.5197 -0.6013 -0.1182 + 1746SOL HW1 6810 1.170 3.764 3.836 -0.2198 -1.7300 -0.1526 + 1746SOL HW2 6811 1.031 3.795 3.887 -0.1231 -0.2148 -0.7480 + 1747SOL OW 6812 5.681 3.785 0.931 -0.7114 -0.3420 0.4452 + 1747SOL HW1 6813 5.687 3.859 0.992 -0.4392 0.8790 -1.0074 + 1747SOL HW2 6814 5.724 3.713 0.977 0.2100 0.7584 1.3692 + 1748SOL OW 6815 0.940 3.908 4.284 -0.4204 -0.1959 0.6974 + 1748SOL HW1 6816 0.912 3.957 4.206 -1.1954 -1.2523 0.2963 + 1748SOL HW2 6817 0.864 3.855 4.308 -0.1761 0.0651 2.1524 + 1749SOL OW 6818 6.203 3.308 2.053 -0.1308 -0.2942 0.1441 + 1749SOL HW1 6819 6.179 3.224 2.091 -2.0320 -0.4303 -1.1963 + 1749SOL HW2 6820 6.170 3.373 2.116 0.2435 -0.5408 0.5954 + 1750SOL OW 6821 1.120 5.917 2.322 -0.1762 -0.7548 0.4226 + 1750SOL HW1 6822 1.165 5.844 2.279 -0.4711 -0.8442 0.2552 + 1750SOL HW2 6823 1.162 5.995 2.286 -1.2991 -0.7926 -1.0724 + 1751SOL OW 6824 6.219 3.855 1.283 -0.2987 0.0866 0.0474 + 1751SOL HW1 6825 6.274 3.776 1.279 -0.4525 -0.0385 0.4041 + 1751SOL HW2 6826 6.243 3.904 1.204 -1.4763 -1.1801 -1.1811 + 1752SOL OW 6827 0.312 3.856 4.575 -0.0678 -0.8884 -0.2223 + 1752SOL HW1 6828 0.330 3.765 4.552 -0.3633 -0.9357 -0.2789 + 1752SOL HW2 6829 0.246 3.850 4.644 -0.7064 -0.7035 -0.8036 + 1753SOL OW 6830 0.209 2.701 2.334 0.1695 0.4702 -0.6192 + 1753SOL HW1 6831 0.267 2.652 2.274 0.1015 0.1009 -0.3883 + 1753SOL HW2 6832 0.181 2.635 2.398 -1.1882 0.4417 -1.2217 + 1754SOL OW 6833 0.973 3.505 1.577 -0.2818 -0.0132 -0.2564 + 1754SOL HW1 6834 0.963 3.507 1.672 -1.9508 -1.8686 -0.3297 + 1754SOL HW2 6835 0.946 3.417 1.551 0.2985 0.3751 -2.4472 + 1755SOL OW 6836 1.575 4.706 3.215 -0.0478 -0.2882 -0.4924 + 1755SOL HW1 6837 1.511 4.635 3.222 -0.3041 -0.0021 0.1385 + 1755SOL HW2 6838 1.626 4.701 3.296 -0.2049 0.3686 -0.3415 + 1756SOL OW 6839 5.658 3.342 3.019 0.2953 0.3355 -0.2876 + 1756SOL HW1 6840 5.582 3.372 3.070 1.3469 0.1387 1.4746 + 1756SOL HW2 6841 5.728 3.402 3.044 0.2147 2.1264 -3.8105 + 1757SOL OW 6842 0.465 4.045 3.721 0.6144 0.3980 -0.0037 + 1757SOL HW1 6843 0.457 4.047 3.817 -1.5809 -1.0435 -0.0854 + 1757SOL HW2 6844 0.390 3.993 3.692 2.3300 -0.9114 -2.4202 + 1758SOL OW 6845 0.227 4.743 2.828 0.3332 0.6224 0.7646 + 1758SOL HW1 6846 0.226 4.652 2.858 -2.9431 1.0190 2.3323 + 1758SOL HW2 6847 0.308 4.779 2.864 1.9895 -1.7423 -0.3512 + 1759SOL OW 6848 0.856 5.285 2.940 -0.1447 -0.0402 0.5033 + 1759SOL HW1 6849 0.934 5.232 2.923 0.4335 0.2223 2.1085 + 1759SOL HW2 6850 0.864 5.310 3.032 0.1993 3.7575 -0.3848 + 1760SOL OW 6851 5.566 4.833 1.974 0.6026 0.1914 1.0951 + 1760SOL HW1 6852 5.656 4.814 2.001 1.1795 -0.0163 -0.8507 + 1760SOL HW2 6853 5.567 4.925 1.948 0.4307 0.0225 0.4669 + 1761SOL OW 6854 6.187 3.791 3.574 0.2274 0.4081 0.2446 + 1761SOL HW1 6855 6.279 3.806 3.598 0.4492 0.1135 -0.4054 + 1761SOL HW2 6856 6.137 3.834 3.644 0.8554 1.3262 0.1507 + 1762SOL OW 6857 0.475 4.804 2.906 -0.4414 0.7734 0.1881 + 1762SOL HW1 6858 0.489 4.736 2.972 -1.0964 1.6543 1.2886 + 1762SOL HW2 6859 0.563 4.825 2.873 -0.1181 0.2062 0.6741 + 1763SOL OW 6860 6.440 4.509 0.488 0.5236 0.8504 -0.0217 + 1763SOL HW1 6861 6.366 4.556 0.450 -1.1330 -1.0371 0.6997 + 1763SOL HW2 6862 6.448 4.545 0.577 1.9595 2.5983 -0.8020 + 1764SOL OW 6863 0.993 4.167 1.876 0.4033 -0.4225 -0.0260 + 1764SOL HW1 6864 0.957 4.082 1.901 -0.4457 -0.0262 0.1212 + 1764SOL HW2 6865 0.934 4.231 1.916 0.7639 0.2365 -0.5297 + 1765SOL OW 6866 6.450 4.267 0.835 0.0123 -0.3665 -0.1960 + 1765SOL HW1 6867 6.498 4.209 0.777 1.0501 1.1532 -0.9119 + 1765SOL HW2 6868 6.496 4.351 0.830 -2.0646 0.8577 -0.0697 + 1766SOL OW 6869 1.269 3.762 2.856 0.2217 -0.2074 0.5734 + 1766SOL HW1 6870 1.309 3.818 2.789 -0.0725 -0.3072 0.3115 + 1766SOL HW2 6871 1.233 3.823 2.920 0.9474 -0.1172 0.9106 + 1767SOL OW 6872 5.538 5.020 2.968 0.3065 0.4228 -0.3298 + 1767SOL HW1 6873 5.483 4.950 2.932 -0.7881 1.4719 -0.7508 + 1767SOL HW2 6874 5.546 5.000 3.061 -1.8502 0.8937 0.0137 + 1768SOL OW 6875 0.445 4.326 3.620 0.0307 0.3571 0.6303 + 1768SOL HW1 6876 0.466 4.233 3.634 -0.8351 0.0017 -0.3253 + 1768SOL HW2 6877 0.476 4.370 3.700 -0.0765 -0.8289 1.3503 + 1769SOL OW 6878 5.619 1.612 4.355 -0.0332 -0.2228 -0.4430 + 1769SOL HW1 6879 5.693 1.654 4.310 0.5535 1.6744 2.0837 + 1769SOL HW2 6880 5.541 1.647 4.311 0.5190 1.3377 -0.2531 + 1770SOL OW 6881 1.004 4.356 1.698 0.6338 0.0160 -0.3009 + 1770SOL HW1 6882 1.027 4.319 1.613 -1.1773 -1.0397 -0.3784 + 1770SOL HW2 6883 0.982 4.280 1.752 -0.2021 0.7887 0.4783 + 1771SOL OW 6884 4.420 0.541 2.081 0.3454 -0.3714 0.1921 + 1771SOL HW1 6885 4.350 0.541 2.016 -0.0020 0.8537 0.5569 + 1771SOL HW2 6886 4.378 0.511 2.162 -0.2466 2.1537 0.8846 + 1772SOL OW 6887 0.954 4.105 3.585 0.3854 0.4032 -0.0268 + 1772SOL HW1 6888 0.987 4.150 3.507 0.4362 0.5497 0.0773 + 1772SOL HW2 6889 0.870 4.068 3.558 1.4657 -1.5962 -0.8655 + 1773SOL OW 6890 5.641 5.802 1.532 0.1123 0.3233 -0.6507 + 1773SOL HW1 6891 5.615 5.891 1.506 -0.3705 0.7601 1.1813 + 1773SOL HW2 6892 5.586 5.782 1.607 0.2422 -1.5458 -1.0185 + 1774SOL OW 6893 6.164 5.114 3.114 -0.4742 -0.2743 0.1292 + 1774SOL HW1 6894 6.219 5.191 3.126 0.8048 -1.2441 0.6136 + 1774SOL HW2 6895 6.152 5.107 3.019 -0.6556 0.5366 0.0852 + 1775SOL OW 6896 1.048 3.819 3.549 -0.1114 0.2274 0.2960 + 1775SOL HW1 6897 0.998 3.899 3.568 1.3271 1.5739 -1.2548 + 1775SOL HW2 6898 1.115 3.816 3.617 -0.7141 -0.1993 0.8910 + 1776SOL OW 6899 0.179 5.167 2.742 0.0985 -0.2999 0.1653 + 1776SOL HW1 6900 0.210 5.235 2.682 -1.3965 0.0537 -0.2739 + 1776SOL HW2 6901 0.254 5.110 2.756 1.9856 2.3815 1.9742 + 1777SOL OW 6902 6.344 3.289 0.352 0.0039 -0.5414 0.1863 + 1777SOL HW1 6903 6.301 3.359 0.304 0.3127 -0.9985 -0.7746 + 1777SOL HW2 6904 6.272 3.242 0.395 -0.3659 -0.7271 -0.6289 + 1778SOL OW 6905 1.974 5.598 2.953 -0.8127 -0.7555 -0.5978 + 1778SOL HW1 6906 1.962 5.636 2.866 -1.1119 -1.8170 -1.0261 + 1778SOL HW2 6907 2.039 5.529 2.941 1.6174 1.1515 0.6291 + 1779SOL OW 6908 6.006 5.545 1.976 -0.0138 0.1942 0.2731 + 1779SOL HW1 6909 5.915 5.572 1.973 0.6537 2.5122 -2.1731 + 1779SOL HW2 6910 6.051 5.616 2.021 1.0519 0.8336 -1.6996 + 1780SOL OW 6911 3.258 1.021 1.540 0.0299 0.2663 0.2378 + 1780SOL HW1 6912 3.244 0.945 1.484 -0.1519 -0.5046 1.3033 + 1780SOL HW2 6913 3.233 0.992 1.627 0.2611 1.4563 0.7232 + 1781SOL OW 6914 1.735 4.791 2.083 0.3119 0.1551 -0.0071 + 1781SOL HW1 6915 1.714 4.739 2.005 1.2067 0.0025 -0.1528 + 1781SOL HW2 6916 1.674 4.865 2.079 0.4751 0.2570 -0.9592 + 1782SOL OW 6917 -0.008 3.637 3.643 1.0274 -0.2570 0.5446 + 1782SOL HW1 6918 -0.065 3.562 3.661 0.4424 0.1093 0.2570 + 1782SOL HW2 6919 0.076 3.613 3.680 0.1621 0.0427 2.8761 + 1783SOL OW 6920 4.226 0.301 1.586 -0.2270 -0.5631 0.0166 + 1783SOL HW1 6921 4.271 0.299 1.670 -0.1353 0.1687 -0.0126 + 1783SOL HW2 6922 4.254 0.382 1.545 -0.6191 -0.6963 -0.5319 + 1784SOL OW 6923 1.994 5.937 3.730 -0.0509 0.1591 -0.1341 + 1784SOL HW1 6924 1.976 5.994 3.655 1.1459 0.1393 -0.4643 + 1784SOL HW2 6925 2.088 5.949 3.747 -0.4237 0.6906 1.7983 + 1785SOL OW 6926 0.672 2.998 2.178 0.4027 -0.1779 -0.0983 + 1785SOL HW1 6927 0.765 3.001 2.201 0.3084 -0.1951 0.2940 + 1785SOL HW2 6928 0.670 3.016 2.084 0.8438 -0.7031 -0.2153 + 1786SOL OW 6929 2.353 1.935 2.680 -0.1473 0.4720 -0.2262 + 1786SOL HW1 6930 2.263 1.910 2.704 -0.2396 0.4304 -0.6172 + 1786SOL HW2 6931 2.365 1.900 2.592 1.3603 -2.3943 0.9547 + 1787SOL OW 6932 0.616 3.143 3.825 0.3694 -0.0452 0.1199 + 1787SOL HW1 6933 0.523 3.164 3.837 0.0702 -0.2396 -1.5693 + 1787SOL HW2 6934 0.617 3.049 3.812 0.8110 -0.0391 0.1175 + 1788SOL OW 6935 5.756 4.104 2.225 0.7416 0.3812 -0.3068 + 1788SOL HW1 6936 5.747 4.027 2.282 1.2022 1.2391 0.9799 + 1788SOL HW2 6937 5.729 4.073 2.139 3.1681 -1.9159 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7359 0.544 4.543 4.551 -1.0871 -2.9753 -3.4055 + 1929SOL HW2 7360 0.624 4.447 4.635 -0.5628 0.9225 1.0043 + 1930SOL OW 7361 2.203 3.205 4.571 0.3049 0.5978 -0.1040 + 1930SOL HW1 7362 2.164 3.268 4.632 -1.3948 -1.3603 0.9372 + 1930SOL HW2 7363 2.129 3.164 4.527 1.2212 -1.7843 0.3997 + 1931SOL OW 7364 3.586 0.308 0.149 -0.4225 -0.2117 -0.7555 + 1931SOL HW1 7365 3.530 0.383 0.170 0.5670 0.5418 -0.6924 + 1931SOL HW2 7366 3.640 0.339 0.076 -1.0575 -1.4094 -1.7706 + 1932SOL OW 7367 0.076 3.696 4.490 0.8650 0.1455 -0.0393 + 1932SOL HW1 7368 0.091 3.785 4.459 1.1840 1.0216 2.3977 + 1932SOL HW2 7369 -0.019 3.691 4.502 0.9352 0.5009 0.7114 + 1933SOL OW 7370 0.809 3.600 3.742 -0.4840 0.0516 0.1027 + 1933SOL HW1 7371 0.743 3.606 3.812 0.6380 -0.6753 1.2680 + 1933SOL HW2 7372 0.848 3.513 3.754 0.5777 0.4048 -0.6645 + 1934SOL OW 7373 1.740 3.418 3.611 -0.0722 -0.4983 0.0161 + 1934SOL HW1 7374 1.762 3.438 3.520 1.1611 -0.6157 0.2746 + 1934SOL HW2 7375 1.730 3.503 3.653 -2.3840 -0.3848 -0.5722 + 1935SOL OW 7376 3.722 0.227 0.377 0.0031 0.0492 0.3189 + 1935SOL HW1 7377 3.711 0.133 0.389 0.2000 0.0243 0.3019 + 1935SOL HW2 7378 3.672 0.248 0.298 -2.4557 0.4309 1.8721 + 1936SOL OW 7379 1.123 5.183 4.594 0.0149 0.3483 0.3847 + 1936SOL HW1 7380 1.082 5.266 4.572 1.0966 0.6429 -0.6391 + 1936SOL HW2 7381 1.176 5.161 4.518 0.7137 -0.6647 1.1266 + 1937SOL OW 7382 1.137 3.862 4.880 0.3541 0.3709 0.2983 + 1937SOL HW1 7383 1.043 3.869 4.865 0.4606 0.3501 -0.3913 + 1937SOL HW2 7384 1.150 3.773 4.912 0.4545 -0.5791 -2.1957 + 1938SOL OW 7385 0.288 4.246 5.253 -0.0276 -0.4018 0.1777 + 1938SOL HW1 7386 0.221 4.314 5.266 0.7308 0.1889 1.1497 + 1938SOL HW2 7387 0.365 4.295 5.222 0.1842 -0.9763 -0.2095 + 1939SOL OW 7388 3.250 5.084 4.807 0.0656 -0.0096 -0.0078 + 1939SOL HW1 7389 3.237 4.990 4.797 -1.0102 -0.0482 1.3963 + 1939SOL HW2 7390 3.164 5.122 4.791 -0.1859 0.4477 2.0407 + 1940SOL OW 7391 0.714 3.097 5.149 -0.3803 0.1181 -0.1367 + 1940SOL HW1 7392 0.654 3.032 5.187 0.0387 0.3864 1.0284 + 1940SOL HW2 7393 0.787 3.101 5.211 -0.5747 1.9931 0.0293 + 1941SOL OW 7394 1.153 4.970 5.195 0.4184 -0.3811 -0.1719 + 1941SOL HW1 7395 1.207 5.031 5.144 0.2015 -0.4084 -0.4385 + 1941SOL HW2 7396 1.068 5.012 5.201 0.4808 -0.3147 0.2970 + 1942SOL OW 7397 0.696 4.112 0.778 0.4481 0.0516 0.3498 + 1942SOL HW1 7398 0.633 4.058 0.730 -0.3577 0.1426 1.2700 + 1942SOL HW2 7399 0.776 4.060 0.779 0.7506 0.4037 -1.7855 + 1943SOL OW 7400 2.060 5.696 4.921 0.2443 0.2566 0.1505 + 1943SOL HW1 7401 2.144 5.711 4.877 -0.2781 0.0608 -0.9582 + 1943SOL HW2 7402 2.044 5.602 4.909 -0.4524 0.4177 -0.2632 + 1944SOL OW 7403 2.871 4.389 4.340 -0.4124 -0.0079 0.0953 + 1944SOL HW1 7404 2.919 4.329 4.398 -0.3352 -1.2470 -1.1817 + 1944SOL HW2 7405 2.891 4.357 4.252 -2.3079 0.4370 -0.5379 + 1945SOL OW 7406 1.969 3.168 2.250 -0.1817 0.2358 0.6373 + 1945SOL HW1 7407 1.939 3.159 2.160 2.6046 -0.6416 -0.3094 + 1945SOL HW2 7408 2.003 3.082 2.274 1.1292 0.9886 1.7000 + 1946SOL OW 7409 1.932 5.412 4.657 -0.0219 0.1936 0.1507 + 1946SOL HW1 7410 1.887 5.329 4.676 2.5924 -1.4603 -0.3647 + 1946SOL HW2 7411 1.910 5.430 4.565 1.2526 -1.2701 -0.4871 + 1947SOL OW 7412 1.303 6.241 3.474 -0.1344 0.0964 -0.6084 + 1947SOL HW1 7413 1.380 6.211 3.521 -1.2246 -1.9404 0.0054 + 1947SOL HW2 7414 1.233 6.240 3.539 -0.7938 1.4827 -1.2458 + 1948SOL OW 7415 1.243 6.045 3.305 0.0377 -0.9557 0.6826 + 1948SOL HW1 7416 1.249 6.105 3.378 -0.9991 -0.2869 0.2480 + 1948SOL HW2 7417 1.149 6.041 3.285 0.0861 -2.6094 0.6093 + 1949SOL OW 7418 6.097 0.176 5.213 -0.3667 0.2985 0.0202 + 1949SOL HW1 7419 6.186 0.139 5.210 -0.4284 0.0277 0.9381 + 1949SOL HW2 7420 6.080 0.207 5.124 0.4404 -0.1370 -0.2958 + 1950SOL OW 7421 1.259 3.302 3.448 0.4173 -0.3740 0.2108 + 1950SOL HW1 7422 1.229 3.249 3.521 -1.5085 -1.3179 -1.1723 + 1950SOL HW2 7423 1.236 3.251 3.370 1.4053 1.0619 -1.0906 + 1951SOL OW 7424 5.589 4.417 3.216 0.4428 -0.3290 -0.7823 + 1951SOL HW1 7425 5.666 4.471 3.234 0.2418 0.2632 -1.6431 + 1951SOL HW2 7426 5.602 4.385 3.127 -0.1730 -0.4516 -0.8347 + 1952SOL OW 7427 5.677 0.656 4.990 -0.2076 -0.5758 0.9173 + 1952SOL HW1 7428 5.673 0.571 5.034 -1.3035 -0.8298 0.3655 + 1952SOL HW2 7429 5.769 0.681 4.993 -0.0222 -1.3442 1.9067 + 1953SOL OW 7430 4.414 2.757 0.474 0.5226 0.2382 -0.1307 + 1953SOL HW1 7431 4.446 2.846 0.489 1.0191 -0.1685 1.3650 + 1953SOL HW2 7432 4.322 2.760 0.500 0.7129 0.1666 0.5784 + 1954SOL OW 7433 5.928 2.866 2.916 0.5369 -0.0725 -0.3316 + 1954SOL HW1 7434 5.845 2.913 2.913 0.8271 0.6675 1.7730 + 1954SOL HW2 7435 5.950 2.861 3.009 2.5815 -0.7516 -0.7892 + 1955SOL OW 7436 1.716 4.477 3.475 0.1579 -0.1412 0.0917 + 1955SOL HW1 7437 1.753 4.564 3.461 -1.0489 0.3409 -0.2179 + 1955SOL HW2 7438 1.624 4.493 3.495 0.0919 -1.3030 0.8499 + 1956SOL OW 7439 0.589 5.197 4.230 0.2227 -0.3500 0.6209 + 1956SOL HW1 7440 0.645 5.131 4.189 -0.4642 -0.5475 -0.0418 + 1956SOL HW2 7441 0.575 5.263 4.161 -0.3659 -0.3169 0.7644 + 1957SOL OW 7442 0.095 4.528 4.021 -0.8510 -0.6693 0.1687 + 1957SOL HW1 7443 0.008 4.487 4.027 -1.5831 0.7040 -0.5537 + 1957SOL HW2 7444 0.077 4.616 3.990 0.8375 -0.3906 -0.0831 + 1958SOL OW 7445 6.010 5.813 0.364 0.0677 -0.0073 -0.0541 + 1958SOL HW1 7446 5.965 5.799 0.281 1.6825 -0.4988 -0.8810 + 1958SOL HW2 7447 6.054 5.898 0.354 0.9777 -0.4633 -0.0692 + 1959SOL OW 7448 3.844 2.492 0.077 -0.0349 -0.4547 0.2656 + 1959SOL HW1 7449 3.798 2.415 0.111 -0.1045 -0.9689 -0.9533 + 1959SOL HW2 7450 3.929 2.491 0.122 1.2220 -3.0301 -1.8763 + 1960SOL OW 7451 0.100 4.168 1.038 -0.0609 0.3245 0.2768 + 1960SOL HW1 7452 0.030 4.226 1.068 -1.1364 0.2378 -1.9242 + 1960SOL HW2 7453 0.175 4.227 1.025 -0.7713 1.0429 -0.7134 + 1961SOL OW 7454 0.204 0.582 3.436 0.4099 0.3571 -0.2361 + 1961SOL HW1 7455 0.153 0.664 3.437 -0.1720 0.0660 -1.9877 + 1961SOL HW2 7456 0.141 0.515 3.462 1.0680 0.4923 1.9186 + 1962SOL OW 7457 0.289 4.426 4.307 0.1640 0.2040 0.8929 + 1962SOL HW1 7458 0.198 4.409 4.281 0.5495 -0.9574 0.2070 + 1962SOL HW2 7459 0.311 4.509 4.265 0.0411 -0.5047 -0.6644 + 1963SOL OW 7460 3.644 1.234 0.626 -0.1047 -0.3791 0.6007 + 1963SOL HW1 7461 3.657 1.144 0.597 0.2150 0.4521 -2.0300 + 1963SOL HW2 7462 3.557 1.257 0.594 -0.9077 -0.2156 2.7157 + 1964SOL OW 7463 2.227 0.679 1.569 0.7528 0.0521 -0.1144 + 1964SOL HW1 7464 2.171 0.702 1.643 0.1680 -0.9730 -0.2343 + 1964SOL HW2 7465 2.168 0.641 1.504 1.4913 -0.4848 -0.4902 + 1965SOL OW 7466 5.164 3.806 3.554 0.2319 -0.0118 -0.2017 + 1965SOL HW1 7467 5.188 3.845 3.470 -0.8320 0.7824 -0.1548 + 1965SOL HW2 7468 5.071 3.783 3.544 -0.4268 1.7327 1.3253 + 1966SOL OW 7469 2.009 4.562 4.343 0.8333 0.3010 0.0278 + 1966SOL HW1 7470 2.023 4.650 4.308 -1.3509 0.4865 -0.5247 + 1966SOL HW2 7471 2.076 4.508 4.300 2.8452 1.7970 1.0864 + 1967SOL OW 7472 0.081 3.490 2.846 1.0025 0.1704 -0.1402 + 1967SOL HW1 7473 0.129 3.413 2.813 -0.1765 -0.9359 0.6201 + 1967SOL HW2 7474 -0.010 3.460 2.853 0.3263 1.9822 -0.8090 + 1968SOL OW 7475 2.133 3.389 3.485 -0.3261 -0.1811 0.2444 + 1968SOL HW1 7476 2.070 3.409 3.415 -0.0834 0.1744 0.1261 + 1968SOL HW2 7477 2.206 3.449 3.469 0.8024 -1.6991 -0.6185 + 1969SOL OW 7478 6.601 4.362 5.201 -0.0727 0.1766 0.0893 + 1969SOL HW1 7479 6.589 4.445 5.248 -0.2199 -0.4376 1.1594 + 1969SOL HW2 7480 6.536 4.365 5.131 -3.3585 -0.9444 2.8272 + 1970SOL OW 7481 1.221 5.487 4.597 -0.7545 0.4334 -0.6041 + 1970SOL HW1 7482 1.247 5.486 4.689 -1.2553 -0.1857 -0.4590 + 1970SOL HW2 7483 1.142 5.541 4.596 -2.5056 -1.9324 -0.1336 + 1971SOL OW 7484 1.476 6.076 5.141 0.3662 -0.2575 0.3681 + 1971SOL HW1 7485 1.565 6.074 5.107 0.7629 -1.3252 1.3779 + 1971SOL HW2 7486 1.484 6.111 5.229 -0.2127 -0.3636 0.4702 + 1972SOL OW 7487 3.344 1.986 0.553 0.4243 0.3422 0.4030 + 1972SOL HW1 7488 3.291 1.936 0.492 0.8588 2.0450 -1.4920 + 1972SOL HW2 7489 3.426 2.002 0.506 0.5970 2.0987 1.2196 + 1973SOL OW 7490 2.940 3.207 0.343 -0.1157 -0.6538 -0.1018 + 1973SOL HW1 7491 2.928 3.262 0.420 1.7336 -0.4785 0.1104 + 1973SOL HW2 7492 3.035 3.205 0.329 -0.3871 -0.7321 -2.3526 + 1974SOL OW 7493 3.973 3.877 4.786 -0.4306 0.0099 -0.3051 + 1974SOL HW1 7494 4.047 3.844 4.735 0.1282 0.6869 0.0521 + 1974SOL HW2 7495 3.951 3.804 4.845 -0.0692 -0.2061 -0.4305 + 1975SOL OW 7496 6.458 4.418 3.143 -0.0735 0.1087 -0.8026 + 1975SOL HW1 7497 6.434 4.341 3.195 0.3996 -0.8681 -1.9706 + 1975SOL HW2 7498 6.531 4.458 3.190 -0.5393 0.0550 -0.0083 + 1976SOL OW 7499 3.116 1.260 0.142 -0.4017 -0.3265 -0.2769 + 1976SOL HW1 7500 3.169 1.280 0.219 -0.8961 1.7023 -0.3863 + 1976SOL HW2 7501 3.026 1.257 0.174 -0.5298 -0.3476 -0.6308 + 1977SOL OW 7502 6.222 3.549 3.013 -0.3294 0.4093 1.0859 + 1977SOL HW1 7503 6.189 3.628 2.970 -2.0739 0.7543 2.9272 + 1977SOL HW2 7504 6.291 3.517 2.954 -2.1073 1.1951 -1.6086 + 1978SOL OW 7505 5.057 5.959 0.371 0.2478 -0.0052 0.3401 + 1978SOL HW1 7506 4.962 5.955 0.385 0.2696 -0.6977 0.3203 + 1978SOL HW2 7507 5.066 5.986 0.279 0.0899 1.4055 0.7180 + 1979SOL OW 7508 1.566 5.010 4.619 0.3138 -0.2007 -0.0077 + 1979SOL HW1 7509 1.475 5.001 4.647 0.4894 -0.5045 0.4553 + 1979SOL HW2 7510 1.618 4.987 4.696 0.8165 -2.4613 -0.9319 + 1980SOL OW 7511 0.806 3.258 3.670 0.2687 -0.0503 -0.1894 + 1980SOL HW1 7512 0.865 3.300 3.732 -1.2585 1.8097 0.0918 + 1980SOL HW2 7513 0.739 3.215 3.724 0.7639 -1.2785 -0.5178 + 1981SOL OW 7514 0.938 5.206 3.807 -0.4055 -0.2784 -0.1740 + 1981SOL HW1 7515 0.875 5.133 3.808 -0.2427 -0.4289 -0.7036 + 1981SOL HW2 7516 0.995 5.189 3.882 -2.4549 1.1784 1.8839 + 1982SOL OW 7517 1.962 4.900 2.586 -0.3541 -0.0765 -0.2842 + 1982SOL HW1 7518 1.950 4.995 2.586 0.1391 -0.0029 -1.0570 + 1982SOL HW2 7519 1.890 4.867 2.533 -0.7954 -0.1791 0.3714 + 1983SOL OW 7520 3.553 5.534 4.674 0.3091 0.7598 -0.0574 + 1983SOL HW1 7521 3.497 5.466 4.712 1.1845 0.4801 0.7805 + 1983SOL HW2 7522 3.494 5.607 4.656 -0.5413 0.0177 -0.3793 + 1984SOL OW 7523 5.478 4.605 5.235 -0.2140 0.3799 0.3949 + 1984SOL HW1 7524 5.467 4.570 5.146 -0.2239 0.2475 0.4476 + 1984SOL HW2 7525 5.416 4.554 5.288 -1.3757 1.5349 0.1989 + 1985SOL OW 7526 6.296 5.763 3.495 0.3012 0.3174 -0.1069 + 1985SOL HW1 7527 6.232 5.806 3.439 -0.2937 1.3961 1.3286 + 1985SOL HW2 7528 6.249 5.688 3.533 -0.2138 1.2351 1.1153 + 1986SOL OW 7529 6.417 4.875 5.004 0.4611 -0.3855 0.1487 + 1986SOL HW1 7530 6.422 4.939 5.076 -1.1772 -1.1565 0.9891 + 1986SOL HW2 7531 6.324 4.857 4.994 0.5763 0.0034 -2.4988 + 1987SOL OW 7532 1.913 3.611 4.628 0.3997 -0.5478 -0.2020 + 1987SOL HW1 7533 1.941 3.700 4.645 2.3870 -1.2296 0.3803 + 1987SOL HW2 7534 1.834 3.600 4.682 -0.2744 1.0207 -0.8097 + 1988SOL OW 7535 5.364 3.697 5.278 -0.5172 0.1097 -0.0588 + 1988SOL HW1 7536 5.269 3.696 5.281 -0.4919 -0.3484 0.7902 + 1988SOL HW2 7537 5.386 3.648 5.199 -0.9996 1.4567 -1.0720 + 1989SOL OW 7538 5.038 3.903 0.547 0.4735 0.8250 0.5459 + 1989SOL HW1 7539 4.984 3.936 0.618 -0.7624 -0.3495 0.1981 + 1989SOL HW2 7540 5.116 3.868 0.590 -0.2033 0.2383 1.3347 + 1990SOL OW 7541 2.448 0.933 0.070 0.2681 0.0374 0.1069 + 1990SOL HW1 7542 2.397 0.854 0.050 -0.0334 -0.2031 1.7280 + 1990SOL HW2 7543 2.404 1.002 0.021 -1.0194 -0.3517 0.6682 + 1991SOL OW 7544 0.539 2.865 3.236 0.0252 -0.0513 0.3181 + 1991SOL HW1 7545 0.543 2.777 3.273 -0.4103 -0.1632 0.1108 + 1991SOL HW2 7546 0.599 2.863 3.162 0.9516 0.1929 1.0401 + 1992SOL OW 7547 2.427 1.635 0.426 0.2432 0.3784 0.0168 + 1992SOL HW1 7548 2.468 1.671 0.348 1.6809 0.6285 0.8448 + 1992SOL HW2 7549 2.365 1.702 0.454 -0.6920 0.0493 -1.1963 + 1993SOL OW 7550 2.200 2.502 4.892 0.7786 0.1023 0.3029 + 1993SOL HW1 7551 2.181 2.595 4.877 -0.6112 -0.4894 -2.1802 + 1993SOL HW2 7552 2.114 2.462 4.905 1.1682 -1.0974 -0.6080 + 1994SOL OW 7553 1.381 5.410 4.373 -0.5808 -0.4670 -0.3299 + 1994SOL HW1 7554 1.351 5.422 4.463 0.3559 0.5914 -0.1276 + 1994SOL HW2 7555 1.330 5.474 4.322 2.6063 2.9362 0.3439 + 1995SOL OW 7556 3.600 2.533 0.408 0.5555 0.4176 0.1661 + 1995SOL HW1 7557 3.530 2.519 0.472 1.1260 0.1838 0.7451 + 1995SOL HW2 7558 3.557 2.523 0.323 -0.3010 1.1225 0.4976 + 1996SOL OW 7559 1.839 2.307 2.897 -0.1381 0.1119 1.0670 + 1996SOL HW1 7560 1.872 2.394 2.875 0.8951 -0.8370 -1.5142 + 1996SOL HW2 7561 1.893 2.279 2.971 1.0658 0.8140 0.4968 + 1997SOL OW 7562 5.469 2.677 0.515 0.4391 -0.4245 0.0155 + 1997SOL HW1 7563 5.474 2.640 0.427 -1.6614 1.5743 -1.0450 + 1997SOL HW2 7564 5.492 2.604 0.573 2.6491 -1.5853 -2.1720 + 1998SOL OW 7565 2.251 4.589 5.169 -0.1288 -0.1794 0.1260 + 1998SOL HW1 7566 2.189 4.584 5.096 0.5539 -1.3594 -0.3870 + 1998SOL HW2 7567 2.336 4.567 5.130 0.9541 2.8460 0.4834 + 1999SOL OW 7568 6.047 4.114 2.903 1.1974 0.5951 0.5438 + 1999SOL HW1 7569 6.015 4.122 2.992 1.6522 1.7602 0.6185 + 1999SOL HW2 7570 6.090 4.029 2.900 -1.6475 -0.9582 0.4827 + 2000SOL OW 7571 5.789 5.753 2.778 0.2854 -0.0681 0.0071 + 2000SOL HW1 7572 5.727 5.789 2.842 2.4364 1.8751 1.1525 + 2000SOL HW2 7573 5.875 5.773 2.814 1.6162 -1.5328 -2.1279 + 2001SOL OW 7574 2.238 0.784 2.510 0.2768 -0.3605 -0.4639 + 2001SOL HW1 7575 2.209 0.875 2.496 -1.3620 -0.5855 1.1508 + 2001SOL HW2 7576 2.184 0.733 2.450 -0.3857 -0.4612 0.2047 + 2002SOL OW 7577 0.727 4.877 0.019 -0.2544 -0.2660 0.1657 + 2002SOL HW1 7578 0.788 4.818 0.064 -1.3871 -1.5468 0.0963 + 2002SOL HW2 7579 0.697 4.936 0.088 -0.6575 -1.0996 0.7241 + 2003SOL OW 7580 3.311 1.322 5.346 -0.0288 -0.1803 -0.0779 + 2003SOL HW1 7581 3.375 1.377 5.392 1.8549 0.8885 -3.6061 + 2003SOL HW2 7582 3.226 1.359 5.371 0.8793 0.4913 2.2294 + 2004SOL OW 7583 5.888 5.913 1.445 -0.5535 -0.2221 -0.5182 + 2004SOL HW1 7584 5.821 5.856 1.482 0.0086 -1.7043 -1.6791 + 2004SOL HW2 7585 5.860 6.002 1.469 -1.7744 -0.9321 0.8258 + 2005SOL OW 7586 2.371 5.367 0.361 0.6733 0.1123 0.0136 + 2005SOL HW1 7587 2.437 5.410 0.417 0.1584 0.1506 0.5970 + 2005SOL HW2 7588 2.418 5.293 0.322 1.2282 0.4842 -0.0384 + 2006SOL OW 7589 6.146 6.086 1.377 -0.5377 0.4795 0.5348 + 2006SOL HW1 7590 6.101 6.007 1.407 0.2105 0.1899 0.9199 + 2006SOL HW2 7591 6.080 6.134 1.327 -1.6518 0.6943 2.1441 + 2007SOL OW 7592 2.306 1.935 5.059 0.1945 -0.4073 -0.5011 + 2007SOL HW1 7593 2.223 1.981 5.062 -0.2215 -1.2103 1.2069 + 2007SOL HW2 7594 2.368 2.001 5.027 -0.6979 0.8277 0.2086 + 2008SOL OW 7595 0.221 5.127 2.040 -0.0026 -0.1575 0.8222 + 2008SOL HW1 7596 0.154 5.069 2.076 -1.2486 0.7938 0.1090 + 2008SOL HW2 7597 0.223 5.202 2.099 -1.4200 0.9934 -0.5137 + 2009SOL OW 7598 2.061 0.965 1.800 0.2229 -0.3364 0.6302 + 2009SOL HW1 7599 2.001 0.998 1.734 0.3604 -1.6279 -0.1904 + 2009SOL HW2 7600 2.017 0.888 1.837 0.2320 0.2477 1.9355 + 2010SOL OW 7601 0.665 5.934 2.668 0.3194 -0.4183 -0.3567 + 2010SOL HW1 7602 0.569 5.935 2.662 0.4066 0.6032 -2.5649 + 2010SOL HW2 7603 0.691 5.861 2.613 0.8054 -1.1939 0.8861 + 2011SOL OW 7604 0.480 5.643 0.495 -0.5311 -0.2692 0.4799 + 2011SOL HW1 7605 0.441 5.646 0.408 -0.9258 0.6681 0.6751 + 2011SOL HW2 7606 0.561 5.594 0.484 -1.6571 -2.1180 0.0365 + 2012SOL OW 7607 1.203 6.162 0.348 -0.8337 -0.1020 -0.3889 + 2012SOL HW1 7608 1.195 6.067 0.344 -0.0834 -0.1902 0.0844 + 2012SOL HW2 7609 1.143 6.188 0.418 0.0827 -0.3913 0.5371 + 2013SOL OW 7610 0.108 4.882 2.235 -0.0767 -0.4610 0.9136 + 2013SOL HW1 7611 0.156 4.800 2.224 -0.7856 -0.6560 -1.1172 + 2013SOL HW2 7612 0.016 4.855 2.239 -0.3915 0.2725 -0.8014 + 2014SOL OW 7613 4.157 4.919 5.293 -0.2431 0.1282 -0.0194 + 2014SOL HW1 7614 4.157 4.871 5.211 0.3229 -0.3649 0.2565 + 2014SOL HW2 7615 4.155 4.851 5.361 -0.4754 0.5214 0.3762 + 2015SOL OW 7616 1.926 5.991 0.951 0.3908 0.2845 -0.2571 + 2015SOL HW1 7617 1.877 6.055 1.003 1.9826 1.3487 -0.0218 + 2015SOL HW2 7618 1.873 5.911 0.957 -1.0984 1.2647 0.3242 + 2016SOL OW 7619 6.118 1.336 3.111 -0.0404 -0.6092 -0.2313 + 2016SOL HW1 7620 6.192 1.387 3.078 -0.9786 0.0827 -1.3463 + 2016SOL HW2 7621 6.074 1.303 3.033 -2.5695 1.4244 0.1630 + 2017SOL OW 7622 5.252 1.916 1.018 0.2587 0.7011 0.2438 + 2017SOL HW1 7623 5.207 1.852 0.962 1.2527 0.7677 -0.6634 + 2017SOL HW2 7624 5.297 1.864 1.084 -1.2916 0.6430 1.3147 + 2018SOL OW 7625 5.385 0.417 1.941 -0.3433 0.1707 0.7147 + 2018SOL HW1 7626 5.331 0.492 1.965 -1.4012 -0.5718 0.7326 + 2018SOL HW2 7627 5.376 0.356 2.014 -1.0069 -0.7487 -0.1052 + 2019SOL OW 7628 3.947 0.463 1.706 0.7449 -0.4807 0.7653 + 2019SOL HW1 7629 3.940 0.529 1.775 -1.6383 -1.3382 1.4416 + 2019SOL HW2 7630 3.990 0.389 1.748 1.7142 -0.0770 0.5277 + 2020SOL OW 7631 4.721 2.502 1.054 -0.1612 0.4412 -0.0308 + 2020SOL HW1 7632 4.727 2.442 0.979 -0.0848 1.4220 -0.8335 + 2020SOL HW2 7633 4.668 2.575 1.022 -1.2796 0.2579 1.3120 + 2021SOL OW 7634 0.072 6.201 1.343 -0.4414 -0.3400 -0.0952 + 2021SOL HW1 7635 -0.022 6.197 1.358 -0.3156 0.4909 1.0877 + 2021SOL HW2 7636 0.110 6.189 1.430 0.5384 -0.3001 -0.5096 + 2022SOL OW 7637 0.263 0.556 1.357 -0.0251 0.0667 0.5492 + 2022SOL HW1 7638 0.323 0.534 1.428 0.3600 0.9061 0.4974 + 2022SOL HW2 7639 0.291 0.644 1.329 1.0163 -0.9323 -1.8248 + 2023SOL OW 7640 2.789 5.842 0.063 -0.3581 0.1045 0.2461 + 2023SOL HW1 7641 2.870 5.798 0.091 -1.6527 -3.0073 -0.5002 + 2023SOL HW2 7642 2.742 5.858 0.144 -1.3407 -3.2109 0.4978 + 2024SOL OW 7643 3.420 2.519 5.262 -0.1427 0.0477 0.1404 + 2024SOL HW1 7644 3.386 2.591 5.208 1.8578 0.2734 -0.9137 + 2024SOL HW2 7645 3.352 2.505 5.328 -2.6579 -0.1059 -2.2580 + 2025SOL OW 7646 4.238 0.865 0.285 0.3246 0.1843 -0.2855 + 2025SOL HW1 7647 4.301 0.906 0.344 -1.0721 0.8907 0.7700 + 2025SOL HW2 7648 4.232 0.775 0.315 -0.1105 0.4480 0.4219 + 2026SOL OW 7649 3.027 5.636 0.582 -0.4144 0.0942 -0.1908 + 2026SOL HW1 7650 3.040 5.731 0.583 -0.1742 0.0910 -1.2325 + 2026SOL HW2 7651 3.109 5.600 0.616 -0.6147 0.2636 0.4775 + 2027SOL OW 7652 6.593 5.603 2.347 0.6149 -0.2857 0.1269 + 2027SOL HW1 7653 6.571 5.668 2.415 -3.6592 -0.3870 -0.8640 + 2027SOL HW2 7654 6.591 5.519 2.393 1.0273 -0.1251 0.4476 + 2028SOL OW 7655 5.678 2.628 2.412 -0.0215 -0.0112 -0.4021 + 2028SOL HW1 7656 5.697 2.657 2.501 -0.7328 0.6260 -0.4426 + 2028SOL HW2 7657 5.665 2.534 2.419 2.0577 -0.3307 -0.2089 + 2029SOL OW 7658 2.277 3.049 5.085 0.2383 -0.2606 -0.6022 + 2029SOL HW1 7659 2.315 2.962 5.100 -1.7435 -1.0187 0.4119 + 2029SOL HW2 7660 2.350 3.102 5.054 1.6353 -2.1375 -0.6976 + 2030SOL OW 7661 3.660 1.338 5.300 0.3137 0.0243 -0.0425 + 2030SOL HW1 7662 3.679 1.388 5.379 -1.9349 -0.0142 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HW2 9703 2.860 1.034 3.575 -0.8089 -1.1443 0.6424 + 2711SOL OW 9704 2.945 0.339 2.906 -0.1618 -0.1220 0.6805 + 2711SOL HW1 9705 2.931 0.359 2.813 -0.4895 -0.3376 0.6824 + 2711SOL HW2 9706 3.013 0.401 2.933 -1.3938 1.2490 0.7679 + 2712SOL OW 9707 5.877 6.001 3.196 0.2167 0.3384 -0.5463 + 2712SOL HW1 9708 5.837 6.039 3.274 0.2177 1.7687 -1.2192 + 2712SOL HW2 9709 5.803 5.973 3.142 0.2202 -1.1072 0.1539 + 2713SOL OW 9710 2.899 0.496 1.544 -0.1087 -0.1478 0.4529 + 2713SOL HW1 9711 2.844 0.568 1.512 -1.1678 -0.9671 0.3673 + 2713SOL HW2 9712 2.957 0.475 1.471 -2.6655 -2.1774 -1.1899 + 2714SOL OW 9713 2.323 2.022 1.440 -0.4160 -0.1168 0.6371 + 2714SOL HW1 9714 2.237 2.047 1.475 0.1359 2.2932 0.4418 + 2714SOL HW2 9715 2.364 2.105 1.415 2.4054 -1.0639 1.6782 + 2715SOL OW 9716 1.566 0.919 2.762 -0.3525 0.4509 -0.4736 + 2715SOL HW1 9717 1.575 0.979 2.836 0.8605 -1.6464 1.1633 + 2715SOL HW2 9718 1.485 0.871 2.780 0.2103 -0.4159 -0.2189 + 2716SOL OW 9719 5.367 5.902 3.960 0.2948 -0.0006 -0.4096 + 2716SOL HW1 9720 5.338 5.850 4.034 -0.1878 0.3335 -0.3626 + 2716SOL HW2 9721 5.462 5.886 3.955 0.4373 0.4613 0.6561 + 2717SOL OW 9722 5.208 5.910 4.699 0.7715 0.1887 0.0002 + 2717SOL HW1 9723 5.279 5.972 4.685 1.5911 -0.9221 -0.8313 + 2717SOL HW2 9724 5.135 5.945 4.647 0.2613 1.9377 1.7246 + 2718SOL OW 9725 0.664 0.489 2.105 -0.5202 0.5957 0.1326 + 2718SOL HW1 9726 0.650 0.455 2.017 -0.0718 -0.5009 0.4569 + 2718SOL HW2 9727 0.724 0.562 2.094 1.5002 -1.0214 -0.2801 + 2719SOL OW 9728 1.990 3.080 2.678 -0.7544 0.3223 0.0194 + 2719SOL HW1 9729 1.928 3.050 2.611 -1.5980 -0.0532 0.9293 + 2719SOL HW2 9730 2.072 3.092 2.631 -0.4304 -3.0135 -0.5651 + 2720SOL OW 9731 2.861 6.197 5.251 0.3571 0.0573 0.3024 + 2720SOL HW1 9732 2.809 6.134 5.301 -0.9089 0.3261 -0.6010 + 2720SOL HW2 9733 2.950 6.162 5.252 -0.1966 -1.4060 0.3588 + 2721SOL OW 9734 1.012 1.205 4.889 -0.2083 -0.0202 0.2860 + 2721SOL HW1 9735 1.016 1.110 4.898 1.2048 -0.3286 -2.3551 + 2721SOL HW2 9736 0.977 1.218 4.801 -0.0893 1.9075 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5.090 -2.4882 -2.6829 0.9499 + 6713NA NA21710 5.509 4.639 2.122 -0.0145 0.1020 0.4599 + 6714NA NA21711 2.148 4.554 1.001 0.6737 -0.0656 0.0449 + 6715NA NA21712 3.138 0.652 4.355 -0.5031 -0.1745 -0.6303 + 6716NA NA21713 0.316 2.206 0.394 0.4653 0.1484 -0.2672 + 6717NA NA21714 6.557 1.207 4.869 -0.2624 0.0971 -0.3966 + 6718NA NA21715 0.789 4.462 1.717 0.0928 -0.0613 0.1684 + 6719NA NA21716 4.399 5.969 0.917 -0.4431 0.3220 -0.2491 + 6720CL CL21717 0.841 1.833 1.203 -0.2474 -0.1076 -0.1033 + 6721CL CL21718 0.734 1.308 2.345 -0.4495 -0.0309 -0.4369 + 6722CL CL21719 0.746 5.443 1.157 -0.1969 0.2066 0.1420 + 6723CL CL21720 0.948 4.766 3.540 0.0723 -0.3202 0.1703 + 6724CL CL21721 5.598 5.510 3.438 -0.2598 0.1511 0.0391 + 6725CL CL21722 1.970 0.824 3.782 -0.5584 -0.4156 -0.1740 + 6726CL CL21723 1.539 5.919 0.856 0.0670 0.0030 -0.3871 + 6727CL CL21724 1.974 2.864 4.440 -0.3363 -0.2405 -0.2047 + 6728CL CL21725 2.092 4.862 4.215 0.0165 0.2028 0.1332 + 6729CL CL21726 4.053 5.346 4.180 0.0272 0.1641 0.1806 + 6730CL CL21727 6.355 3.342 1.256 -0.1614 0.1671 -0.1491 + 6731CL CL21728 5.189 2.303 3.412 0.1110 -0.2140 0.3723 + 6732CL CL21729 0.273 2.752 5.087 -0.0803 0.2948 -0.2344 + 6733CL CL21730 4.930 5.129 0.794 -0.3498 0.0751 -0.0099 + 6734CL CL21731 1.604 3.279 0.305 -0.0965 0.0163 0.0263 + 6.61010 6.23211 5.39733 0.00000 0.00000 2.20323 0.00000 -2.20323 3.11577 diff --git a/biobb_wf_md_setup/tests/python/reference/step12_mdrun_nvt/nvt.log b/biobb_wf_md_setup/tests/python/reference/step12_mdrun_nvt/nvt.log new file mode 100644 index 0000000..8cbecd8 --- /dev/null +++ b/biobb_wf_md_setup/tests/python/reference/step12_mdrun_nvt/nvt.log @@ -0,0 +1,1855 @@ + :-) GROMACS - gmx mdrun, 2022.2-conda_forge (-: + +Copyright 1991-2022 The GROMACS Authors. +GROMACS is free software; you can redistribute it and/or modify it +under the terms of the GNU Lesser General Public License +as published by the Free Software Foundation; either version 2.1 +of the License, or (at your option) any later version. + + Current GROMACS contributors: + Mark Abraham Andrey Alekseenko Cathrine Bergh + Christian Blau Eliane Briand Kevin Boyd + Oliver Fleetwood Stefan Fleischmann Vytas Gapsys + Gaurav Garg Gilles Gouaillardet Alan Gray + Victor Holanda M. Eric Irrgang Joe Jordan + Christoph Junghans Prashanth Kanduri Sebastian Kehl + Sebastian Keller Carsten Kutzner Magnus Lundborg + Pascal Merz Dmitry Morozov Szilard Pall + Roland Schulz Michael Shirts David van der Spoel + Alessandra Villa Sebastian Wingbermuehle Artem Zhmurov + + Previous GROMACS contributors: + Emile Apol Rossen Apostolov James Barnett + Herman J.C. Berendsen Par Bjelkmar Viacheslav Bolnykh + Aldert van Buuren Carlo Camilloni Rudi van Drunen + Anton Feenstra Gerrit Groenhof Bert de Groot + Anca Hamuraru Vincent Hindriksen Aleksei Iupinov + Dimitrios Karkoulis Peter Kasson Jiri Kraus + Per Larsson Justin A. Lemkul Viveca Lindahl + Erik Marklund Pieter Meulenhoff Vedran Miletic + Teemu Murtola Sander Pronk Alexey Shvetsov + Alfons Sijbers Peter Tieleman Jon Vincent + Teemu Virolainen Christian Wennberg Maarten Wolf + + Coordinated by the GROMACS project leaders: + Paul Bauer, Berk Hess, and Erik Lindahl + +GROMACS: gmx mdrun, version 2022.2-conda_forge +Executable: /home/gbayarri/anaconda3/envs/biobb_wf_md_setup/bin.AVX2_256/gmx +Data prefix: /home/gbayarri/anaconda3/envs/biobb_wf_md_setup +Working dir: /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python +Process ID: 16051 +Command line: + gmx -nobackup -nocopyright mdrun -o /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_f53feab4-b96f-4401-9086-6e8d275f8479/nvt.trr -s /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_f53feab4-b96f-4401-9086-6e8d275f8479/gppnvt.tpr -c /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_f53feab4-b96f-4401-9086-6e8d275f8479/nvt.gro -e /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_f53feab4-b96f-4401-9086-6e8d275f8479/nvt.edr -g /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_f53feab4-b96f-4401-9086-6e8d275f8479/nvt.log -cpo /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_f53feab4-b96f-4401-9086-6e8d275f8479/nvt.cpt + +GROMACS version: 2022.2-conda_forge +Precision: mixed +Memory model: 64 bit +MPI library: thread_mpi +OpenMP support: enabled (GMX_OPENMP_MAX_THREADS = 128) +GPU support: OpenCL +SIMD instructions: AVX2_256 +CPU FFT library: fftw-3.3.10-sse2-avx +GPU FFT library: clFFT +RDTSCP usage: enabled +TNG support: enabled +Hwloc support: disabled +Tracing support: disabled +C compiler: /home/conda/feedstock_root/build_artifacts/gromacs_1657275263449/_build_env/bin/x86_64-conda-linux-gnu-cc GNU 10.3.0 +C compiler flags: -mavx2 -mfma -Wno-missing-field-initializers -fexcess-precision=fast -funroll-all-loops -O3 -DNDEBUG +C++ compiler: /home/conda/feedstock_root/build_artifacts/gromacs_1657275263449/_build_env/bin/x86_64-conda-linux-gnu-c++ GNU 10.3.0 +C++ compiler flags: -mavx2 -mfma -Wno-missing-field-initializers -fexcess-precision=fast -funroll-all-loops -fopenmp -O3 -DNDEBUG +OpenCL include dir: /home/gbayarri/anaconda3/envs/biobb_wf_md_setup/include +OpenCL library: /home/gbayarri/anaconda3/envs/biobb_wf_md_setup/lib/libOpenCL.so +OpenCL version: 2.2 + + +Running on 1 node with total 4 cores, 4 processing units (GPU detection failed) +Hardware detected: + CPU info: + Vendor: Intel + Brand: Intel(R) Core(TM) i5-6600 CPU @ 3.30GHz + Family: 6 Model: 94 Stepping: 3 + Features: aes apic avx avx2 clfsh cmov cx8 cx16 f16c fma htt intel lahf mmx msr nonstop_tsc pcid pclmuldq pdcm pdpe1gb popcnt pse rdrnd rdtscp sse2 sse3 sse4.1 sse4.2 ssse3 tdt x2apic + Hardware topology: Basic + Packages, cores, and logical processors: + [indices refer to OS logical processors] + Package 0: [ 0] [ 1] [ 2] [ 3] + CPU limit set by OS: -1 Recommended max number of threads: 4 + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +M. J. Abraham, T. Murtola, R. Schulz, S. Páll, J. C. Smith, B. Hess, E. +Lindahl +GROMACS: High performance molecular simulations through multi-level +parallelism from laptops to supercomputers +SoftwareX 1 (2015) pp. 19-25 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +S. Páll, M. J. Abraham, C. Kutzner, B. Hess, E. Lindahl +Tackling Exascale Software Challenges in Molecular Dynamics Simulations with +GROMACS +In S. Markidis & E. Laure (Eds.), Solving Software Challenges for Exascale 8759 (2015) pp. 3-27 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +S. Pronk, S. Páll, R. Schulz, P. Larsson, P. Bjelkmar, R. Apostolov, M. R. +Shirts, J. C. Smith, P. M. Kasson, D. van der Spoel, B. Hess, and E. Lindahl +GROMACS 4.5: a high-throughput and highly parallel open source molecular +simulation toolkit +Bioinformatics 29 (2013) pp. 845-54 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +B. Hess and C. Kutzner and D. van der Spoel and E. Lindahl +GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable +molecular simulation +J. Chem. Theory Comput. 4 (2008) pp. 435-447 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +D. van der Spoel, E. Lindahl, B. Hess, G. Groenhof, A. E. Mark and H. J. C. +Berendsen +GROMACS: Fast, Flexible and Free +J. Comp. Chem. 26 (2005) pp. 1701-1719 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +E. Lindahl and B. Hess and D. van der Spoel +GROMACS 3.0: A package for molecular simulation and trajectory analysis +J. Mol. Mod. 7 (2001) pp. 306-317 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +H. J. C. Berendsen, D. van der Spoel and R. van Drunen +GROMACS: A message-passing parallel molecular dynamics implementation +Comp. Phys. Comm. 91 (1995) pp. 43-56 +-------- -------- --- Thank You --- -------- -------- + +Input Parameters: + integrator = md + tinit = 0 + dt = 0.002 + nsteps = 50000 + init-step = 0 + simulation-part = 1 + mts = false + comm-mode = Linear + nstcomm = 100 + bd-fric = 0 + ld-seed = -218733121 + emtol = 10 + emstep = 0.01 + niter = 20 + fcstep = 0 + nstcgsteep = 1000 + nbfgscorr = 10 + rtpi = 0.05 + nstxout = 500 + nstvout = 500 + nstfout = 0 + nstlog = 500 + nstcalcenergy = 100 + nstenergy = 500 + nstxout-compressed = 1000 + compressed-x-precision = 1000 + cutoff-scheme = Verlet + nstlist = 10 + pbc = xyz + periodic-molecules = false + verlet-buffer-tolerance = 0.005 + rlist = 1 + coulombtype = PME + coulomb-modifier = Potential-shift + rcoulomb-switch = 0 + rcoulomb = 1 + epsilon-r = 1 + epsilon-rf = inf + vdw-type = Cut-off + vdw-modifier = Potential-shift + rvdw-switch = 0 + rvdw = 1 + DispCorr = EnerPres + table-extension = 1 + fourierspacing = 0.12 + fourier-nx = 56 + fourier-ny = 56 + fourier-nz = 56 + pme-order = 4 + ewald-rtol = 1e-05 + ewald-rtol-lj = 0.001 + lj-pme-comb-rule = Geometric + ewald-geometry = 3d + epsilon-surface = 0 + tcoupl = V-rescale + nsttcouple = 10 + nh-chain-length = 0 + print-nose-hoover-chain-variables = false + pcoupl = No + pcoupltype = Isotropic + nstpcouple = -1 + tau-p = 1 + compressibility (3x3): + compressibility[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} + compressibility[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} + compressibility[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} + ref-p (3x3): + ref-p[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} + ref-p[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} + ref-p[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} + refcoord-scaling = No + posres-com (3): + posres-com[0]= 0.00000e+00 + posres-com[1]= 0.00000e+00 + posres-com[2]= 0.00000e+00 + posres-comB (3): + posres-comB[0]= 0.00000e+00 + posres-comB[1]= 0.00000e+00 + posres-comB[2]= 0.00000e+00 + QMMM = false +qm-opts: + ngQM = 0 + constraint-algorithm = Lincs + continuation = false + Shake-SOR = false + shake-tol = 0.0001 + lincs-order = 4 + lincs-iter = 1 + lincs-warnangle = 30 + nwall = 0 + wall-type = 9-3 + wall-r-linpot = -1 + wall-atomtype[0] = -1 + wall-atomtype[1] = -1 + wall-density[0] = 0 + wall-density[1] = 0 + wall-ewald-zfac = 3 + pull = false + awh = false + rotation = false + interactiveMD = false + disre = No + disre-weighting = Conservative + disre-mixed = false + dr-fc = 1000 + dr-tau = 0 + nstdisreout = 100 + orire-fc = 0 + orire-tau = 0 + nstorireout = 100 + free-energy = no + cos-acceleration = 0 + deform (3x3): + deform[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} + deform[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} + deform[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} + simulated-tempering = false + swapcoords = no + userint1 = 0 + userint2 = 0 + userint3 = 0 + userint4 = 0 + userreal1 = 0 + userreal2 = 0 + userreal3 = 0 + userreal4 = 0 + applied-forces: + electric-field: + x: + E0 = 0 + omega = 0 + t0 = 0 + sigma = 0 + y: + E0 = 0 + omega = 0 + t0 = 0 + sigma = 0 + z: + E0 = 0 + omega = 0 + t0 = 0 + sigma = 0 + density-guided-simulation: + active = false + group = protein + similarity-measure = inner-product + atom-spreading-weight = unity + force-constant = 1e+09 + gaussian-transform-spreading-width = 0.2 + gaussian-transform-spreading-range-in-multiples-of-width = 4 + reference-density-filename = reference.mrc + nst = 1 + normalize-densities = true + adaptive-force-scaling = false + adaptive-force-scaling-time-constant = 4 + shift-vector = + transformation-matrix = + qmmm-cp2k: + active = false + qmgroup = System + qmmethod = PBE + qmfilenames = + qmcharge = 0 + qmmultiplicity = 1 +grpopts: + nrdf: 4920.67 39561.3 + ref-t: 300 300 + tau-t: 0.1 0.1 +annealing: No No +annealing-npoints: 0 0 + acc: 0 0 0 + nfreeze: N N N + energygrp-flags[ 0]: 0 + +Changing nstlist from 10 to 50, rlist from 1 to 1.104 + + +Initializing Domain Decomposition on 1 ranks +Dynamic load balancing: auto +Using update groups, nr 7606, average size 2.9 atoms, max. radius 0.104 nm +Minimum cell size due to atom displacement: 0.398 nm +Initial maximum distances in bonded interactions: + two-body bonded interactions: 0.447 nm, LJ-14, atoms 1156 1405 + multi-body bonded interactions: 0.447 nm, Proper Dih., atoms 1156 1405 +Minimum cell size due to bonded interactions: 0.492 nm +Using 0 separate PME ranks because: there are too few total ranks for efficient splitting +Optimizing the DD grid for 1 cells with a minimum initial size of 0.492 nm +The maximum allowed number of cells is: X 10 Y 10 Z 10 +Domain decomposition grid 1 x 1 x 1, separate PME ranks 0 +PME domain decomposition: 1 x 1 x 1 + +The initial number of communication pulses is: +The initial domain decomposition cell size is: + +The maximum allowed distance for atom groups involved in interactions is: + non-bonded interactions 1.312 nm + two-body bonded interactions (-rdd) 1.312 nm + multi-body bonded interactions (-rdd) 1.312 nm + +When dynamic load balancing gets turned on, these settings will change to: +The maximum number of communication pulses is: +The minimum size for domain decomposition cells is 1.312 nm +The requested allowed shrink of DD cells (option -dds) is: 0.80 +The allowed shrink of domain decomposition cells is: +The maximum allowed distance for atom groups involved in interactions is: + non-bonded interactions 1.312 nm + two-body bonded interactions (-rdd) 1.312 nm + multi-body bonded interactions (-rdd) 1.312 nm + +Using 1 MPI thread +Using 4 OpenMP threads + +Pinning threads with an auto-selected logical cpu stride of 1 +System total charge: 0.000 +Will do PME sum in reciprocal space for electrostatic interactions. + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +U. Essmann, L. Perera, M. L. Berkowitz, T. Darden, H. Lee and L. G. Pedersen +A smooth particle mesh Ewald method +J. Chem. Phys. 103 (1995) pp. 8577-8592 +-------- -------- --- Thank You --- -------- -------- + +Using a Gaussian width (1/beta) of 0.320163 nm for Ewald +Potential shift: LJ r^-12: -1.000e+00 r^-6: -1.000e+00, Ewald -1.000e-05 +Initialized non-bonded Coulomb Ewald tables, spacing: 9.33e-04 size: 1073 + +Generated table with 1052 data points for 1-4 COUL. +Tabscale = 500 points/nm +Generated table with 1052 data points for 1-4 LJ6. +Tabscale = 500 points/nm +Generated table with 1052 data points for 1-4 LJ12. +Tabscale = 500 points/nm +Long Range LJ corr.: 3.2110e-04 + + +Using SIMD 4x8 nonbonded short-range kernels + +Using a dual 4x8 pair-list setup updated with dynamic pruning: + outer list: updated every 50 steps, buffer 0.104 nm, rlist 1.104 nm + inner list: updated every 13 steps, buffer 0.003 nm, rlist 1.003 nm +At tolerance 0.005 kJ/mol/ps per atom, equivalent classical 1x1 list would be: + outer list: updated every 50 steps, buffer 0.230 nm, rlist 1.230 nm + inner list: updated every 13 steps, buffer 0.052 nm, rlist 1.052 nm + +Using Lorentz-Berthelot Lennard-Jones combination rule +Removing pbc first time + +Linking all bonded interactions to atoms + + +Initializing LINear Constraint Solver + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +B. Hess and H. Bekker and H. J. C. Berendsen and J. G. E. M. Fraaije +LINCS: A Linear Constraint Solver for molecular simulations +J. Comp. Chem. 18 (1997) pp. 1463-1472 +-------- -------- --- Thank You --- -------- -------- + +The number of constraints is 959 + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +S. Miyamoto and P. A. Kollman +SETTLE: An Analytical Version of the SHAKE and RATTLE Algorithms for Rigid +Water Models +J. Comp. Chem. 13 (1992) pp. 952-962 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +G. Bussi, D. Donadio and M. Parrinello +Canonical sampling through velocity rescaling +J. Chem. Phys. 126 (2007) pp. 014101 +-------- -------- --- Thank You --- -------- -------- + +There are: 21731 Atoms + +Atom distribution over 1 domains: av 21731 stddev 0 min 21731 max 21731 + +Constraining the starting coordinates (step 0) + +Constraining the coordinates at t0-dt (step 0) +Center of mass motion removal mode is Linear +We have the following groups for center of mass motion removal: + 0: rest +RMS relative constraint deviation after constraining: 3.26e-06 +Initial temperature: 299.466 K + +Started mdrun on rank 0 Tue Jan 14 16:16:10 2025 + + Step Time + 0 0.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 3.15264e+02 9.58050e+02 4.95017e+03 6.84040e+01 1.70985e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62738e+04 4.35329e+04 -2.85325e+03 -4.11024e+05 1.87772e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 8.59705e-04 -3.44191e+05 5.53937e+04 -2.88798e+05 -2.88798e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99552e+02 -2.13353e+02 -3.86882e+03 3.22731e-06 + + Step Time + 500 1.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.49981e+03 3.93017e+03 5.48144e+03 2.71453e+02 1.92411e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62290e+04 3.71104e+04 -2.85325e+03 -3.55945e+05 2.15681e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.76672e+02 -2.89718e+05 5.48560e+04 -2.34862e+05 -2.88211e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.96644e+02 -2.13353e+02 -2.50057e+02 2.91968e-06 + + Step Time + 1000 2.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.55582e+03 3.86678e+03 5.46776e+03 2.48870e+02 1.90959e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60824e+04 3.66381e+04 -2.85325e+03 -3.54836e+05 2.20941e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.75429e+02 -2.89235e+05 5.54736e+04 -2.33762e+05 -2.88221e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99984e+02 -2.13353e+02 -7.44181e+01 2.70662e-06 + + Step Time + 1500 3.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.46945e+03 3.94355e+03 5.38036e+03 2.38313e+02 1.91172e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61387e+04 3.73337e+04 -2.85325e+03 -3.55282e+05 2.21154e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.72352e+02 -2.89035e+05 5.56468e+04 -2.33388e+05 -2.88207e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00921e+02 -2.13353e+02 -5.38154e+02 2.71337e-06 + + Step Time + 2000 4.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.61444e+03 3.73626e+03 5.47575e+03 2.81925e+02 1.90285e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60954e+04 3.57611e+04 -2.85325e+03 -3.54178e+05 2.14786e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.50351e+02 -2.89565e+05 5.55140e+04 -2.34051e+05 -2.88239e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00202e+02 -2.13353e+02 -3.34145e+02 2.88094e-06 + + Step Time + 2500 5.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.58060e+03 3.77675e+03 5.51102e+03 2.27051e+02 1.88935e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61508e+04 3.65303e+04 -2.85325e+03 -3.54761e+05 2.16413e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.42296e+02 -2.89342e+05 5.56558e+04 -2.33686e+05 -2.88245e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00969e+02 -2.13353e+02 -7.64566e+02 3.18825e-06 + + Step Time + 3000 6.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.59048e+03 3.83914e+03 5.48992e+03 3.03727e+02 1.88599e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60412e+04 3.65471e+04 -2.85325e+03 -3.55201e+05 2.14098e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.21286e+02 -2.89794e+05 5.58292e+04 -2.33965e+05 -2.88246e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.01907e+02 -2.13353e+02 -4.21449e+02 2.99452e-06 + + Step Time + 3500 7.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.55741e+03 3.81840e+03 5.42644e+03 2.43671e+02 1.90023e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61609e+04 3.65559e+04 -2.85325e+03 -3.53986e+05 2.18192e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.79285e+02 -2.88516e+05 5.53713e+04 -2.33144e+05 -2.88221e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99431e+02 -2.13353e+02 -5.60376e+02 2.84340e-06 + + Step Time + 4000 8.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.47827e+03 3.70497e+03 5.48323e+03 2.30092e+02 1.92661e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61395e+04 3.61450e+04 -2.85325e+03 -3.54024e+05 2.16002e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.47578e+02 -2.89162e+05 5.49655e+04 -2.34196e+05 -2.88244e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.97236e+02 -2.13353e+02 -6.11857e+02 2.80279e-06 + + Step Time + 4500 9.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.55093e+03 3.90382e+03 5.41917e+03 2.53157e+02 1.86136e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.59777e+04 3.65364e+04 -2.85325e+03 -3.54883e+05 2.13356e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.34316e+02 -2.89666e+05 5.54202e+04 -2.34246e+05 -2.88223e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99695e+02 -2.13353e+02 -4.72350e+02 3.08586e-06 + + Step Time + 5000 10.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.60642e+03 3.82000e+03 5.44544e+03 2.96861e+02 1.92169e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60912e+04 3.63866e+04 -2.85325e+03 -3.54386e+05 2.15007e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.63746e+02 -2.89057e+05 5.52759e+04 -2.33781e+05 -2.88217e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.98915e+02 -2.13353e+02 -1.65664e+02 2.65447e-06 + + Step Time + 5500 11.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.60594e+03 3.75846e+03 5.41811e+03 2.80481e+02 1.87210e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62203e+04 3.68601e+04 -2.85325e+03 -3.55682e+05 2.14455e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.04188e+02 -2.89971e+05 5.52393e+04 -2.34732e+05 -2.88231e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.98717e+02 -2.13353e+02 -5.47570e+02 2.71521e-06 + + Step Time + 6000 12.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.58682e+03 3.78980e+03 5.40038e+03 2.25023e+02 1.88661e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.59389e+04 3.67193e+04 -2.85325e+03 -3.55765e+05 2.21911e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.61659e+02 -2.90390e+05 5.54073e+04 -2.34983e+05 -2.88236e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99626e+02 -2.13353e+02 -4.65343e+02 2.73454e-06 + + Step Time + 6500 13.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.56261e+03 3.84454e+03 5.48353e+03 2.89071e+02 1.81547e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61506e+04 3.68375e+04 -2.85325e+03 -3.54458e+05 2.05856e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.59333e+02 -2.88810e+05 5.48670e+04 -2.33943e+05 -2.88233e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.96703e+02 -2.13353e+02 -8.21679e+02 3.07565e-06 + + Step Time + 7000 14.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.57696e+03 3.73822e+03 5.42392e+03 2.98502e+02 1.90363e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62280e+04 3.65779e+04 -2.85325e+03 -3.54984e+05 2.14534e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.45068e+02 -2.89500e+05 5.57665e+04 -2.33733e+05 -2.88235e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.01568e+02 -2.13353e+02 -1.67740e+02 2.59360e-06 + + Step Time + 7500 15.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.43349e+03 4.08027e+03 5.44084e+03 2.85179e+02 1.90325e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60037e+04 3.66168e+04 -2.85325e+03 -3.53599e+05 2.21135e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.83757e+02 -2.87994e+05 5.53572e+04 -2.32637e+05 -2.88230e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99354e+02 -2.13353e+02 -8.44903e+01 2.71168e-06 + + Step Time + 8000 16.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.63542e+03 3.69624e+03 5.39962e+03 2.97436e+02 1.88218e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61138e+04 3.68544e+04 -2.85325e+03 -3.56148e+05 2.16005e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.94905e+02 -2.90467e+05 5.50607e+04 -2.35406e+05 -2.88234e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.97751e+02 -2.13353e+02 -3.07994e+02 2.54901e-06 + + Step Time + 8500 17.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.44106e+03 3.67850e+03 5.42435e+03 2.75579e+02 1.89680e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61059e+04 3.65994e+04 -2.85325e+03 -3.55532e+05 2.24283e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 3.94272e+02 -2.90326e+05 5.55441e+04 -2.34782e+05 -2.88250e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00365e+02 -2.13353e+02 -5.37117e+02 2.85541e-06 + + Step Time + 9000 18.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.54761e+03 3.70126e+03 5.45438e+03 2.60744e+02 1.92211e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61278e+04 3.74736e+04 -2.85325e+03 -3.56385e+05 2.24602e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.35818e+02 -2.90069e+05 5.51576e+04 -2.34911e+05 -2.88232e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.98275e+02 -2.13353e+02 -3.02069e+01 2.81658e-06 + + Step Time + 9500 19.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.52694e+03 3.74458e+03 5.39735e+03 2.35106e+02 1.91973e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62368e+04 3.67745e+04 -2.85325e+03 -3.55566e+05 2.17457e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.53194e+02 -2.89957e+05 5.53916e+04 -2.34565e+05 -2.88244e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99540e+02 -2.13353e+02 -3.67228e+02 2.82044e-06 + + Step Time + 10000 20.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.58270e+03 3.88069e+03 5.44242e+03 2.80522e+02 1.90281e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60634e+04 3.60180e+04 -2.85325e+03 -3.54248e+05 2.20740e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 3.97364e+02 -2.89326e+05 5.58391e+04 -2.33487e+05 -2.88238e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.01960e+02 -2.13353e+02 -4.12884e+02 3.01115e-06 + + Step Time + 10500 21.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.58110e+03 3.67092e+03 5.41826e+03 2.88170e+02 1.95376e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61430e+04 3.55805e+04 -2.85325e+03 -3.53469e+05 2.22509e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.63629e+02 -2.88998e+05 5.48953e+04 -2.34103e+05 -2.88241e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.96856e+02 -2.13353e+02 -8.39618e+02 2.93544e-06 + + Step Time + 11000 22.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.70526e+03 3.90145e+03 5.53519e+03 2.97926e+02 1.92834e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61454e+04 3.62427e+04 -2.85325e+03 -3.54436e+05 2.16656e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.87345e+02 -2.88879e+05 5.60630e+04 -2.32816e+05 -2.88246e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.03171e+02 -2.13353e+02 -2.74994e+02 3.16766e-06 + + Step Time + 11500 23.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.55122e+03 3.98415e+03 5.34712e+03 3.05398e+02 1.89461e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.63466e+04 3.59137e+04 -2.85325e+03 -3.54462e+05 2.13744e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.57280e+02 -2.89378e+05 5.61004e+04 -2.33278e+05 -2.88244e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.03373e+02 -2.13353e+02 -3.76003e+02 2.77560e-06 + + Step Time + 12000 24.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.46914e+03 3.85762e+03 5.47540e+03 2.55917e+02 1.97290e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60904e+04 3.58689e+04 -2.85325e+03 -3.54841e+05 2.13386e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.35717e+02 -2.90134e+05 5.54000e+04 -2.34734e+05 -2.88260e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99586e+02 -2.13353e+02 -5.90428e+02 2.66111e-06 + + Step Time + 12500 25.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.49196e+03 4.03985e+03 5.46142e+03 2.75838e+02 1.87168e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60758e+04 3.67277e+04 -2.85325e+03 -3.54744e+05 2.17990e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 5.18135e+02 -2.88955e+05 5.63238e+04 -2.32631e+05 -2.88262e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.04581e+02 -2.13353e+02 -2.86775e+01 2.66803e-06 + + Step Time + 13000 26.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.58840e+03 3.81339e+03 5.45675e+03 2.41007e+02 1.83129e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60512e+04 3.65354e+04 -2.85325e+03 -3.54229e+05 2.30569e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.52142e+02 -2.88807e+05 5.49149e+04 -2.33892e+05 -2.88265e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.96963e+02 -2.13353e+02 -3.47788e+02 3.00004e-06 + + Step Time + 13500 27.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.58205e+03 3.68907e+03 5.41136e+03 2.86538e+02 1.92427e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61379e+04 3.76990e+04 -2.85325e+03 -3.56138e+05 2.18936e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.56684e+02 -2.89615e+05 5.49286e+04 -2.34686e+05 -2.88264e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.97037e+02 -2.13353e+02 -1.82982e+01 2.78376e-06 + + Step Time + 14000 28.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.40522e+03 3.84857e+03 5.49910e+03 2.75130e+02 1.94421e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62505e+04 3.69254e+04 -2.85325e+03 -3.56276e+05 2.12484e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.38381e+02 -2.90418e+05 5.59217e+04 -2.34496e+05 -2.88272e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.02407e+02 -2.13353e+02 -2.80177e+02 2.25337e-06 + + Step Time + 14500 29.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.54322e+03 3.76117e+03 5.42953e+03 2.61815e+02 1.83875e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60610e+04 3.68578e+04 -2.85325e+03 -3.56014e+05 2.18942e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.52973e+02 -2.90472e+05 5.54263e+04 -2.35045e+05 -2.88287e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99728e+02 -2.13353e+02 -1.68010e+02 2.87625e-06 + + Step Time + 15000 30.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.53736e+03 3.61535e+03 5.42090e+03 2.57823e+02 1.87439e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62097e+04 3.75471e+04 -2.85325e+03 -3.56617e+05 2.20300e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.93346e+02 -2.90311e+05 5.52893e+04 -2.35022e+05 -2.88278e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.98987e+02 -2.13353e+02 -5.47851e+02 2.82643e-06 + + Step Time + 15500 31.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.68170e+03 3.81547e+03 5.42371e+03 2.50384e+02 1.91631e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.59677e+04 3.62858e+04 -2.85325e+03 -3.54756e+05 2.16465e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.46956e+02 -2.89656e+05 5.59017e+04 -2.33755e+05 -2.88274e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.02299e+02 -2.13353e+02 -8.48255e+01 2.76501e-06 + + Step Time + 16000 32.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.67033e+03 3.81610e+03 5.42733e+03 2.40191e+02 1.94650e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62472e+04 3.63617e+04 -2.85325e+03 -3.54421e+05 2.17794e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.01876e+02 -2.88985e+05 5.66089e+04 -2.32377e+05 -2.88264e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.06123e+02 -2.13353e+02 -4.28854e+02 2.84251e-06 + + Step Time + 16500 33.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.50531e+03 3.94997e+03 5.40455e+03 2.73214e+02 1.85982e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61516e+04 3.75180e+04 -2.85325e+03 -3.55996e+05 2.23354e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.52104e+02 -2.89502e+05 5.61781e+04 -2.33323e+05 -2.88276e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.03794e+02 -2.13353e+02 -4.52166e+02 2.96591e-06 + + Step Time + 17000 34.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.66267e+03 4.05851e+03 5.47942e+03 2.72915e+02 1.87311e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62036e+04 3.61633e+04 -2.85325e+03 -3.54195e+05 2.13530e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 5.16624e+02 -2.88683e+05 5.52490e+04 -2.33434e+05 -2.88255e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.98769e+02 -2.13353e+02 -5.11619e+01 2.69735e-06 + + Step Time + 17500 35.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.57396e+03 3.85570e+03 5.42009e+03 2.42812e+02 1.86802e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60787e+04 3.63827e+04 -2.85325e+03 -3.53990e+05 2.19085e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.28306e+02 -2.88802e+05 5.55057e+04 -2.33296e+05 -2.88269e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00157e+02 -2.13353e+02 -3.03031e+02 2.92576e-06 + + Step Time + 18000 36.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.67053e+03 3.72207e+03 5.46386e+03 2.54325e+02 1.90640e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61604e+04 3.62314e+04 -2.85325e+03 -3.54799e+05 2.12531e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.52012e+02 -2.89666e+05 5.56961e+04 -2.33970e+05 -2.88288e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.01187e+02 -2.13353e+02 -6.73741e+02 2.63364e-06 + + Step Time + 18500 37.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.65039e+03 4.13668e+03 5.42129e+03 2.79174e+02 1.83622e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.58804e+04 3.67381e+04 -2.85325e+03 -3.54441e+05 2.18620e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.64029e+02 -2.88702e+05 5.53041e+04 -2.33398e+05 -2.88250e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99067e+02 -2.13353e+02 -5.44510e+02 2.99763e-06 + + Step Time + 19000 38.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.48485e+03 3.76124e+03 5.45323e+03 2.47651e+02 1.93587e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.63177e+04 3.69091e+04 -2.85325e+03 -3.54881e+05 2.17468e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.17777e+02 -2.89032e+05 5.50010e+04 -2.34032e+05 -2.88279e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.97428e+02 -2.13353e+02 -3.16223e+02 2.92086e-06 + + Step Time + 19500 39.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.42570e+03 3.85244e+03 5.40474e+03 2.49016e+02 1.91327e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62742e+04 3.65026e+04 -2.85325e+03 -3.54606e+05 2.15974e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.43891e+02 -2.89233e+05 5.55640e+04 -2.33669e+05 -2.88261e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00473e+02 -2.13353e+02 -6.15479e+02 2.81189e-06 + + Step Time + 20000 40.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.60057e+03 4.06577e+03 5.41189e+03 2.42338e+02 1.84420e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61728e+04 3.66431e+04 -2.85325e+03 -3.55276e+05 2.19845e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.59591e+02 -2.89490e+05 5.54337e+04 -2.34057e+05 -2.88257e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99768e+02 -2.13353e+02 3.78414e+01 3.03087e-06 + + Step Time + 20500 41.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.50172e+03 3.72935e+03 5.41407e+03 2.56585e+02 1.91981e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.63007e+04 3.67484e+04 -2.85325e+03 -3.55382e+05 2.12068e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.33323e+02 -2.89811e+05 5.47248e+04 -2.35086e+05 -2.88256e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.95935e+02 -2.13353e+02 -3.34210e+02 2.44446e-06 + + Step Time + 21000 42.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.59738e+03 3.70645e+03 5.47783e+03 3.10032e+02 1.90343e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61360e+04 3.72638e+04 -2.85325e+03 -3.55732e+05 2.19024e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.33963e+02 -2.89566e+05 5.55602e+04 -2.34006e+05 -2.88280e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00452e+02 -2.13353e+02 -3.16576e+02 2.48752e-06 + + Step Time + 21500 43.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.60401e+03 3.82970e+03 5.42248e+03 2.83640e+02 1.86313e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61414e+04 3.66219e+04 -2.85325e+03 -3.54859e+05 2.21432e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.61015e+02 -2.89271e+05 5.56399e+04 -2.33631e+05 -2.88283e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00883e+02 -2.13353e+02 -5.18575e+02 2.52067e-06 + + Step Time + 22000 44.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.66887e+03 3.90674e+03 5.44004e+03 2.46934e+02 1.90045e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62859e+04 3.72240e+04 -2.85325e+03 -3.55265e+05 2.17431e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.41912e+02 -2.88829e+05 5.61179e+04 -2.32711e+05 -2.88261e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.03468e+02 -2.13353e+02 -6.81540e+02 2.81394e-06 + + Step Time + 22500 45.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.51755e+03 3.64752e+03 5.43405e+03 2.69190e+02 1.88465e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61866e+04 3.71897e+04 -2.85325e+03 -3.55555e+05 2.17299e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.20355e+02 -2.89685e+05 5.50675e+04 -2.34618e+05 -2.88302e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.97788e+02 -2.13353e+02 -8.17717e+02 2.96068e-06 + + Step Time + 23000 46.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.58561e+03 3.94718e+03 5.39734e+03 2.85916e+02 1.89495e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62573e+04 3.64453e+04 -2.85325e+03 -3.54080e+05 2.17211e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.25529e+02 -2.88522e+05 5.51423e+04 -2.33380e+05 -2.88283e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.98192e+02 -2.13353e+02 -5.39975e+02 3.05956e-06 + + Step Time + 23500 47.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.50203e+03 3.90980e+03 5.41810e+03 2.32465e+02 1.92787e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62085e+04 3.58624e+04 -2.85325e+03 -3.54713e+05 2.20653e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.50273e+02 -2.89848e+05 5.57846e+04 -2.34064e+05 -2.88303e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.01665e+02 -2.13353e+02 -5.71304e+02 3.03220e-06 + + Step Time + 24000 48.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.52193e+03 3.73587e+03 5.43419e+03 2.46260e+02 1.87652e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60660e+04 3.63149e+04 -2.85325e+03 -3.54347e+05 2.14191e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.46546e+02 -2.89416e+05 5.54907e+04 -2.33925e+05 -2.88294e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00077e+02 -2.13353e+02 -4.32148e+02 3.19202e-06 + + Step Time + 24500 49.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.54475e+03 3.98576e+03 5.41306e+03 2.82014e+02 1.91962e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60880e+04 3.69611e+04 -2.85325e+03 -3.56169e+05 2.23055e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.54591e+02 -2.90143e+05 5.60102e+04 -2.34133e+05 -2.88291e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.02886e+02 -2.13353e+02 9.95737e+01 2.78984e-06 + + Step Time + 25000 50.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.53368e+03 3.75779e+03 5.33414e+03 2.38939e+02 1.87794e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62665e+04 3.80068e+04 -2.85325e+03 -3.56734e+05 2.18991e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.34157e+02 -2.89947e+05 5.50595e+04 -2.34888e+05 -2.88290e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.97745e+02 -2.13353e+02 5.99794e+01 3.15903e-06 + + Step Time + 25500 51.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.51522e+03 3.91529e+03 5.44964e+03 2.83372e+02 1.84483e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60000e+04 3.66057e+04 -2.85325e+03 -3.54013e+05 2.22221e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.97080e+02 -2.88533e+05 5.53301e+04 -2.33203e+05 -2.88295e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99208e+02 -2.13353e+02 -4.91705e+02 3.23796e-06 + + Step Time + 26000 52.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.52424e+03 3.94122e+03 5.48014e+03 2.85209e+02 1.86076e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60641e+04 3.60954e+04 -2.85325e+03 -3.53917e+05 2.15118e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.93555e+02 -2.88875e+05 5.58332e+04 -2.33042e+05 -2.88300e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.01928e+02 -2.13353e+02 -6.70750e+02 3.48511e-06 + + Step Time + 26500 53.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.66969e+03 3.81181e+03 5.42679e+03 3.02218e+02 1.87374e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60710e+04 3.63179e+04 -2.85325e+03 -3.54349e+05 2.12372e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.46571e+02 -2.89158e+05 5.57505e+04 -2.33408e+05 -2.88299e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.01481e+02 -2.13353e+02 -3.29730e+02 2.86826e-06 + + Step Time + 27000 54.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.57430e+03 3.63400e+03 5.42461e+03 2.79207e+02 1.85805e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61570e+04 3.75192e+04 -2.85325e+03 -3.56173e+05 2.23558e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.90272e+02 -2.89854e+05 5.53345e+04 -2.34519e+05 -2.88299e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99232e+02 -2.13353e+02 -6.86660e+02 2.87147e-06 + + Step Time + 27500 55.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.61735e+03 3.82146e+03 5.47908e+03 2.88060e+02 1.91509e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61525e+04 3.65310e+04 -2.85325e+03 -3.54410e+05 2.09292e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.81290e+02 -2.88885e+05 5.56328e+04 -2.33252e+05 -2.88307e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00845e+02 -2.13353e+02 -1.30223e+02 2.75376e-06 + + Step Time + 28000 56.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.55435e+03 3.93763e+03 5.44061e+03 2.40315e+02 1.90136e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60958e+04 3.79990e+04 -2.85325e+03 -3.56430e+05 2.20170e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.65758e+02 -2.89447e+05 5.55637e+04 -2.33884e+05 -2.88312e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00471e+02 -2.13353e+02 -1.76908e+02 2.60415e-06 + + Step Time + 28500 57.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.52424e+03 3.85507e+03 5.43478e+03 2.53828e+02 1.87043e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62531e+04 3.69395e+04 -2.85325e+03 -3.55081e+05 2.18170e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.37245e+02 -2.89184e+05 5.60519e+04 -2.33132e+05 -2.88312e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.03111e+02 -2.13353e+02 -2.20501e+02 3.09590e-06 + + Step Time + 29000 58.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.59486e+03 3.78720e+03 5.37330e+03 2.87071e+02 1.88964e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61756e+04 3.63678e+04 -2.85325e+03 -3.54655e+05 2.22199e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.01478e+02 -2.89409e+05 5.53360e+04 -2.34073e+05 -2.88306e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99240e+02 -2.13353e+02 -5.96382e+02 2.54207e-06 + + Step Time + 29500 59.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.50993e+03 3.85646e+03 5.45330e+03 2.85469e+02 1.86486e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62898e+04 3.65170e+04 -2.85325e+03 -3.54158e+05 2.23900e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.47288e+02 -2.88548e+05 5.47912e+04 -2.33757e+05 -2.88297e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.96293e+02 -2.13353e+02 -6.22086e+02 2.60725e-06 + + Step Time + 30000 60.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.49645e+03 3.87737e+03 5.38630e+03 2.84783e+02 1.85735e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61375e+04 3.75776e+04 -2.85325e+03 -3.56931e+05 2.16505e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.89174e+02 -2.90513e+05 5.52571e+04 -2.35256e+05 -2.88318e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.98813e+02 -2.13353e+02 -4.64099e+02 2.99645e-06 + + Step Time + 30500 61.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.62037e+03 3.81132e+03 5.39403e+03 2.44656e+02 1.87879e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62603e+04 3.66075e+04 -2.85325e+03 -3.55128e+05 2.19778e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.45484e+02 -2.89521e+05 5.51984e+04 -2.34322e+05 -2.88302e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.98495e+02 -2.13353e+02 -2.01394e+02 2.59670e-06 + + Step Time + 31000 62.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.57203e+03 3.72134e+03 5.46070e+03 2.83237e+02 1.90258e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61828e+04 3.69255e+04 -2.85325e+03 -3.55701e+05 2.13344e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.43661e+02 -2.89928e+05 5.47556e+04 -2.35173e+05 -2.88311e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.96101e+02 -2.13353e+02 -3.88738e+02 2.63698e-06 + + Step Time + 31500 63.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.60567e+03 3.86606e+03 5.44408e+03 2.38785e+02 1.86188e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62535e+04 3.58996e+04 -2.85325e+03 -3.54626e+05 2.16000e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.21898e+02 -2.89728e+05 5.50537e+04 -2.34674e+05 -2.88311e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.97713e+02 -2.13353e+02 -6.52334e+02 2.92014e-06 + + Step Time + 32000 64.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.67553e+03 3.86419e+03 5.46958e+03 2.43624e+02 1.90491e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61757e+04 3.61802e+04 -2.85325e+03 -3.54436e+05 2.16618e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.33252e+02 -2.89176e+05 5.55467e+04 -2.33629e+05 -2.88306e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00379e+02 -2.13353e+02 -5.43211e+02 2.55333e-06 + + Step Time + 32500 65.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.47036e+03 3.95865e+03 5.45484e+03 2.53220e+02 1.86899e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.59259e+04 3.72366e+04 -2.85325e+03 -3.55148e+05 2.16694e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.72396e+02 -2.89193e+05 5.53236e+04 -2.33869e+05 -2.88317e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99173e+02 -2.13353e+02 -6.42876e+02 2.78785e-06 + + Step Time + 33000 66.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.53397e+03 3.77118e+03 5.46979e+03 2.82006e+02 1.95366e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.63244e+04 3.63570e+04 -2.85325e+03 -3.54408e+05 2.10862e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.37188e+02 -2.89023e+05 5.50893e+04 -2.33934e+05 -2.88304e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.97906e+02 -2.13353e+02 -7.30924e+02 2.84783e-06 + + Step Time + 33500 67.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.40744e+03 3.86143e+03 5.48602e+03 2.71494e+02 1.92534e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62793e+04 3.72370e+04 -2.85325e+03 -3.55556e+05 2.20760e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 3.77462e+02 -2.89356e+05 5.52233e+04 -2.34132e+05 -2.88316e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.98630e+02 -2.13353e+02 -2.79007e+02 2.68819e-06 + + Step Time + 34000 68.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.55101e+03 3.83893e+03 5.35829e+03 2.46062e+02 1.89030e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61674e+04 3.76731e+04 -2.85325e+03 -3.56148e+05 2.09639e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.42097e+02 -2.89737e+05 5.48263e+04 -2.34911e+05 -2.88317e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.96483e+02 -2.13353e+02 -1.38270e+02 2.65430e-06 + + Step Time + 34500 69.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.49905e+03 3.64891e+03 5.48729e+03 2.55812e+02 1.97007e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62740e+04 3.68079e+04 -2.85325e+03 -3.55108e+05 2.16733e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.09997e+02 -2.89441e+05 5.55366e+04 -2.33905e+05 -2.88342e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00324e+02 -2.13353e+02 -1.52201e+02 3.01999e-06 + + Step Time + 35000 70.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.45311e+03 3.90828e+03 5.51692e+03 2.72998e+02 1.85933e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61448e+04 3.71762e+04 -2.85325e+03 -3.55340e+05 2.19771e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.03493e+02 -2.89261e+05 5.59337e+04 -2.33327e+05 -2.88328e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.02472e+02 -2.13353e+02 -5.13824e+02 2.88140e-06 + + Step Time + 35500 71.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.46088e+03 3.92937e+03 5.46128e+03 3.07670e+02 1.87435e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60745e+04 3.65323e+04 -2.85325e+03 -3.55219e+05 2.13120e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.15619e+02 -2.89885e+05 5.50970e+04 -2.34788e+05 -2.88344e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.97947e+02 -2.13353e+02 -8.11780e+01 2.67586e-06 + + Step Time + 36000 72.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.57733e+03 3.79951e+03 5.56106e+03 2.81914e+02 1.94472e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61683e+04 3.58790e+04 -2.85325e+03 -3.54190e+05 2.18218e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.71041e+02 -2.89178e+05 5.53154e+04 -2.33863e+05 -2.88316e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99128e+02 -2.13353e+02 -7.24403e+02 3.54894e-06 + + Step Time + 36500 73.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.67880e+03 3.85781e+03 5.41435e+03 2.56701e+02 1.85243e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60256e+04 3.56210e+04 -2.85325e+03 -3.53318e+05 2.18125e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.77646e+02 -2.88806e+05 5.55961e+04 -2.33210e+05 -2.88325e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00647e+02 -2.13353e+02 -1.07615e+03 3.04929e-06 + + Step Time + 37000 74.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.58745e+03 3.81103e+03 5.43346e+03 3.10614e+02 1.82696e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60835e+04 3.75305e+04 -2.85325e+03 -3.56182e+05 2.16978e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.42128e+02 -2.89840e+05 5.55750e+04 -2.34265e+05 -2.88352e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00532e+02 -2.13353e+02 -2.23357e+02 3.07684e-06 + + Step Time + 37500 75.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.57769e+03 3.83358e+03 5.41530e+03 2.37964e+02 1.88275e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62066e+04 3.62779e+04 -2.85325e+03 -3.55192e+05 2.13809e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.44294e+02 -2.90032e+05 5.57153e+04 -2.34316e+05 -2.88335e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.01291e+02 -2.13353e+02 -5.74667e+02 2.75214e-06 + + Step Time + 38000 76.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.54797e+03 3.89350e+03 5.41373e+03 2.51290e+02 1.87281e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62934e+04 3.71172e+04 -2.85325e+03 -3.55419e+05 2.18613e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.28912e+02 -2.89268e+05 5.61358e+04 -2.33132e+05 -2.88341e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.03565e+02 -2.13353e+02 -3.98529e+02 2.74700e-06 + + Step Time + 38500 77.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.52861e+03 3.71690e+03 5.44081e+03 2.96430e+02 1.89583e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61429e+04 3.69412e+04 -2.85325e+03 -3.55208e+05 2.21103e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.77178e+02 -2.89410e+05 5.49936e+04 -2.34416e+05 -2.88347e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.97388e+02 -2.13353e+02 -3.85363e+02 2.59773e-06 + + Step Time + 39000 78.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.60715e+03 3.63417e+03 5.44194e+03 2.83285e+02 1.88118e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62831e+04 3.73918e+04 -2.85325e+03 -3.55704e+05 2.15599e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.50384e+02 -2.89428e+05 5.54008e+04 -2.34028e+05 -2.88341e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99590e+02 -2.13353e+02 -4.24391e+02 2.68931e-06 + + Step Time + 39500 79.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.64642e+03 3.95051e+03 5.46602e+03 2.86142e+02 1.90330e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.58714e+04 3.76106e+04 -2.85325e+03 -3.56021e+05 2.12505e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.82115e+02 -2.89533e+05 5.55576e+04 -2.33975e+05 -2.88307e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00438e+02 -2.13353e+02 -1.25494e+02 2.69088e-06 + + Step Time + 40000 80.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.47987e+03 3.85520e+03 5.42286e+03 2.38864e+02 1.88541e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61550e+04 3.61753e+04 -2.85325e+03 -3.54357e+05 2.19866e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.16105e+02 -2.89383e+05 5.56231e+04 -2.33760e+05 -2.88353e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00792e+02 -2.13353e+02 -5.96250e+02 2.55681e-06 + + Step Time + 40500 81.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.50309e+03 3.79271e+03 5.36544e+03 2.41210e+02 1.86433e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61156e+04 3.68148e+04 -2.85325e+03 -3.55934e+05 2.14055e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.84823e+02 -2.90465e+05 5.47742e+04 -2.35691e+05 -2.88348e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.96202e+02 -2.13353e+02 -4.76429e+02 2.92012e-06 + + Step Time + 41000 82.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.60348e+03 3.86729e+03 5.45904e+03 2.76868e+02 1.88183e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60789e+04 3.63658e+04 -2.85325e+03 -3.54993e+05 2.16240e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.52484e+02 -2.89698e+05 5.55312e+04 -2.34167e+05 -2.88353e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00295e+02 -2.13353e+02 -4.45407e+02 2.97039e-06 + + Step Time + 41500 83.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.51272e+03 3.73956e+03 5.41052e+03 2.34629e+02 1.92012e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61845e+04 3.66054e+04 -2.85325e+03 -3.55160e+05 2.16997e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 5.02041e+02 -2.89733e+05 5.51814e+04 -2.34552e+05 -2.88361e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.98404e+02 -2.13353e+02 1.46015e+02 2.74468e-06 + + Step Time + 42000 84.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.49472e+03 3.70610e+03 5.47148e+03 2.40452e+02 1.90214e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62075e+04 3.70705e+04 -2.85325e+03 -3.54997e+05 2.19605e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.89182e+02 -2.89072e+05 5.49918e+04 -2.34080e+05 -2.88362e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.97379e+02 -2.13353e+02 -6.91655e+01 2.91878e-06 + + Step Time + 42500 85.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.55550e+03 3.76476e+03 5.44192e+03 2.87050e+02 1.91445e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61514e+04 3.66383e+04 -2.85325e+03 -3.54262e+05 2.18344e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.46533e+02 -2.88732e+05 5.53887e+04 -2.33343e+05 -2.88360e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99525e+02 -2.13353e+02 -1.37611e+02 2.98689e-06 + + Step Time + 43000 86.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.57231e+03 3.66596e+03 5.46308e+03 3.01319e+02 1.87510e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62988e+04 3.71538e+04 -2.85325e+03 -3.55967e+05 2.15260e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.58636e+02 -2.89878e+05 5.56135e+04 -2.34265e+05 -2.88357e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00741e+02 -2.13353e+02 -4.31715e+02 2.80913e-06 + + Step Time + 43500 87.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.44560e+03 3.88344e+03 5.50216e+03 2.49646e+02 1.88782e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62590e+04 3.68969e+04 -2.85325e+03 -3.55890e+05 2.19516e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.18284e+02 -2.90005e+05 5.59769e+04 -2.34028e+05 -2.88359e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.02705e+02 -2.13353e+02 -5.83328e+02 2.68365e-06 + + Step Time + 44000 88.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.54206e+03 3.87141e+03 5.42803e+03 2.77931e+02 1.88207e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62232e+04 3.76414e+04 -2.85325e+03 -3.55991e+05 2.19344e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.49721e+02 -2.89335e+05 5.48570e+04 -2.34478e+05 -2.88338e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.96649e+02 -2.13353e+02 -4.78023e+02 2.80340e-06 + + Step Time + 44500 89.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.42814e+03 4.08531e+03 5.43420e+03 2.73635e+02 1.86865e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60513e+04 3.64940e+04 -2.85325e+03 -3.54981e+05 2.10948e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.19809e+02 -2.89670e+05 5.54668e+04 -2.34203e+05 -2.88337e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99947e+02 -2.13353e+02 -5.25679e+02 2.75536e-06 + + Step Time + 45000 90.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.68748e+03 3.79499e+03 5.43053e+03 2.66859e+02 1.89202e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62551e+04 3.68149e+04 -2.85325e+03 -3.56172e+05 2.13277e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.58641e+02 -2.90292e+05 5.54103e+04 -2.34881e+05 -2.88344e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99641e+02 -2.13353e+02 -4.63121e+02 2.44105e-06 + + Step Time + 45500 91.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.57334e+03 3.69107e+03 5.42219e+03 2.36437e+02 1.89276e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62909e+04 3.72007e+04 -2.85325e+03 -3.55818e+05 2.13994e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.19406e+02 -2.89804e+05 5.54518e+04 -2.34352e+05 -2.88377e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99866e+02 -2.13353e+02 -8.77270e+02 2.61145e-06 + + Step Time + 46000 92.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.60760e+03 3.96097e+03 5.40274e+03 2.63702e+02 1.88017e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61095e+04 3.61729e+04 -2.85325e+03 -3.54294e+05 2.19161e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.31429e+02 -2.89126e+05 5.56756e+04 -2.33451e+05 -2.88351e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.01076e+02 -2.13353e+02 -1.00597e+03 2.93347e-06 + + Step Time + 46500 93.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.58110e+03 3.70625e+03 5.42416e+03 2.42109e+02 1.91449e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62181e+04 3.66893e+04 -2.85325e+03 -3.55198e+05 2.15540e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.37075e+02 -2.89683e+05 5.54786e+04 -2.34204e+05 -2.88367e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00011e+02 -2.13353e+02 -4.98166e+02 3.14133e-06 + + Step Time + 47000 94.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.51177e+03 3.88522e+03 5.52039e+03 2.89230e+02 1.87358e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61526e+04 3.67549e+04 -2.85325e+03 -3.56050e+05 2.06058e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.25107e+02 -2.90430e+05 5.50734e+04 -2.35357e+05 -2.88346e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.97820e+02 -2.13353e+02 -4.54731e+02 2.50629e-06 + + Step Time + 47500 95.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.50797e+03 3.68942e+03 5.40786e+03 2.40315e+02 1.88701e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61527e+04 3.63723e+04 -2.85325e+03 -3.54913e+05 2.24520e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.64442e+02 -2.89799e+05 5.50170e+04 -2.34782e+05 -2.88374e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.97515e+02 -2.13353e+02 -2.58280e+02 2.90493e-06 + + Step Time + 48000 96.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.51617e+03 3.81850e+03 5.38167e+03 2.60672e+02 1.91877e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62234e+04 3.69361e+04 -2.85325e+03 -3.55405e+05 2.17557e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.51051e+02 -2.89576e+05 5.52345e+04 -2.34342e+05 -2.88372e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.98691e+02 -2.13353e+02 -1.47342e+02 2.69280e-06 + + Step Time + 48500 97.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.60450e+03 3.83977e+03 5.44065e+03 2.96111e+02 1.87833e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62827e+04 3.61417e+04 -2.85325e+03 -3.54384e+05 2.14700e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.35059e+02 -2.89171e+05 5.51944e+04 -2.33977e+05 -2.88355e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.98474e+02 -2.13353e+02 -6.78087e+02 2.60030e-06 + + Step Time + 49000 98.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.62959e+03 3.91131e+03 5.44043e+03 2.46414e+02 1.91461e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62510e+04 3.67411e+04 -2.85325e+03 -3.55018e+05 2.17893e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.74862e+02 -2.89083e+05 5.56515e+04 -2.33431e+05 -2.88357e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00946e+02 -2.13353e+02 3.07341e+02 2.55814e-06 + + Step Time + 49500 99.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.61280e+03 3.86485e+03 5.49987e+03 2.62158e+02 1.91154e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61414e+04 3.71989e+04 -2.85325e+03 -3.55818e+05 2.18316e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.34665e+02 -2.89562e+05 5.57711e+04 -2.33791e+05 -2.88363e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.01593e+02 -2.13353e+02 -1.75549e+02 2.90121e-06 + + Step Time + 50000 100.00000 + +Writing checkpoint, step 50000 at Tue Jan 14 16:20:07 2025 + + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.44808e+03 3.90406e+03 5.48656e+03 2.83860e+02 1.85048e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61520e+04 3.64604e+04 -2.85325e+03 -3.55518e+05 2.12623e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 3.96072e+02 -2.90263e+05 5.60632e+04 -2.34200e+05 -2.88382e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.03172e+02 -2.13353e+02 -6.21858e+02 2.83736e-06 + + +Energy conservation over simulation part #1 of length 100 ps, time 0 to 100 ps + Conserved energy drift: 1.91e-04 kJ/mol/ps per atom + + + <====== ############### ==> + <==== A V E R A G E S ====> + <== ############### ======> + + Statistics over 50001 steps using 501 frames + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.55093e+03 3.83185e+03 5.42853e+03 2.65675e+02 1.89085e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61468e+04 3.67459e+04 -2.85325e+03 -3.55253e+05 2.16946e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.49570e+02 -2.89627e+05 5.54230e+04 -2.34204e+05 -2.88296e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99710e+02 -2.13353e+02 -3.98284e+02 0.00000e+00 + + Total Virial (kJ/mol) + 2.12171e+04 3.83477e+01 1.96347e+02 + 3.88139e+01 2.10547e+04 2.72248e+02 + 1.96651e+02 2.72345e+02 2.11505e+04 + + Pressure (bar) + -4.06913e+02 -5.38651e+00 -2.75960e+01 + -5.45615e+00 -3.85013e+02 -4.37622e+01 + -2.76416e+01 -4.37767e+01 -4.02925e+02 + + T-ProteinT-Water_and_ions + 2.99626e+02 2.99721e+02 + + + M E G A - F L O P S A C C O U N T I N G + + NB=Group-cutoff nonbonded kernels NxN=N-by-N cluster Verlet kernels + RF=Reaction-Field VdW=Van der Waals QSTab=quadratic-spline table + W3=SPC/TIP3p W4=TIP4p (single or pairs) + V&F=Potential and force V=Potential only F=Force only + + Computing: M-Number M-Flops % Flops +----------------------------------------------------------------------------- + Pair Search distance check 8937.330324 80435.973 0.2 + NxN Ewald Elec. + LJ [F] 332659.598128 21955533.476 51.7 + NxN Ewald Elec. + LJ [V&F] 3366.899312 360258.226 0.8 + NxN Ewald Elec. [F] 269635.489488 16447764.859 38.7 + NxN Ewald Elec. [V&F] 2729.115888 229245.735 0.5 + 1,4 nonbonded interactions 255.305106 22977.460 0.1 + Calc Weights 3259.715193 117349.747 0.3 + Spread Q Bspline 69540.590784 139081.182 0.3 + Gather F Bspline 69540.590784 417243.545 1.0 + 3D-FFT 305965.419186 2447723.353 5.8 + Solve PME 156.803136 10035.401 0.0 + Reset In Box 21.752731 65.258 0.0 + CG-CoM 21.774462 65.323 0.0 + Bonds 51.251025 3023.810 0.0 + Angles 177.353547 29795.396 0.1 + Propers 268.155363 61407.578 0.1 + Impropers 21.300426 4430.489 0.0 + Pos. Restr. 50.051001 2502.550 0.0 + Virial 10.909776 196.376 0.0 + Stop-CM 10.908962 109.090 0.0 + Calc-Ekin 217.353462 5868.543 0.0 + Lincs 47.952877 2877.173 0.0 + Lincs-Mat 238.814328 955.257 0.0 + Constraint-V 1083.393334 9750.540 0.0 + Constraint-Vir 10.374708 248.993 0.0 + Settle 329.169749 121792.807 0.3 +----------------------------------------------------------------------------- + Total 42470738.140 100.0 +----------------------------------------------------------------------------- + + + D O M A I N D E C O M P O S I T I O N S T A T I S T I C S + + av. #atoms communicated per step for force: 2 x 0.0 + + + R E A L C Y C L E A N D T I M E A C C O U N T I N G + +On 1 MPI rank, each using 4 OpenMP threads + + Computing: Num Num Call Wall time Giga-Cycles + Ranks Threads Count (s) total sum % +----------------------------------------------------------------------------- + Domain decomp. 1 4 1001 2.080 27.560 0.9 + Neighbor search 1 4 1001 7.319 96.964 3.1 + Force 1 4 50001 160.573 2127.228 67.7 + PME mesh 1 4 50001 57.527 762.104 24.3 + NB X/F buffer ops. 1 4 99001 2.597 34.410 1.1 + Write traj. 1 4 101 0.610 8.085 0.3 + Update 1 4 50001 2.814 37.284 1.2 + Constraints 1 4 50003 2.897 38.383 1.2 + Rest 0.694 9.196 0.3 +----------------------------------------------------------------------------- + Total 237.114 3141.214 100.0 +----------------------------------------------------------------------------- + Breakdown of PME mesh computation +----------------------------------------------------------------------------- + PME spread 1 4 50001 19.611 259.805 8.3 + PME gather 1 4 50001 13.043 172.788 5.5 + PME 3D-FFT 1 4 100002 22.623 299.703 9.5 + PME solve Elec 1 4 50001 2.082 27.585 0.9 +----------------------------------------------------------------------------- + + Core t (s) Wall t (s) (%) + Time: 948.456 237.114 400.0 + (ns/day) (hour/ns) +Performance: 36.439 0.659 +Finished mdrun on rank 0 Tue Jan 14 16:20:07 2025 + diff --git a/biobb_wf_md_setup/tests/python/reference/step12_mdrun_nvt/nvt.trr b/biobb_wf_md_setup/tests/python/reference/step12_mdrun_nvt/nvt.trr new file mode 100644 index 0000000..fc29339 Binary files /dev/null and b/biobb_wf_md_setup/tests/python/reference/step12_mdrun_nvt/nvt.trr differ diff --git a/biobb_wf_md_setup/tests/python/reference/step13_grompp_npt/gppnpt.tpr b/biobb_wf_md_setup/tests/python/reference/step13_grompp_npt/gppnpt.tpr new file mode 100644 index 0000000..e945c05 Binary files /dev/null and b/biobb_wf_md_setup/tests/python/reference/step13_grompp_npt/gppnpt.tpr differ diff --git a/biobb_wf_md_setup/tests/python/reference/step14_mdrun_npt/npt.cpt b/biobb_wf_md_setup/tests/python/reference/step14_mdrun_npt/npt.cpt new file mode 100644 index 0000000..712ecbe Binary files /dev/null and b/biobb_wf_md_setup/tests/python/reference/step14_mdrun_npt/npt.cpt differ diff --git a/biobb_wf_md_setup/tests/python/reference/step14_mdrun_npt/npt.edr b/biobb_wf_md_setup/tests/python/reference/step14_mdrun_npt/npt.edr new file mode 100644 index 0000000..ee075c1 Binary files /dev/null and b/biobb_wf_md_setup/tests/python/reference/step14_mdrun_npt/npt.edr differ diff --git a/biobb_wf_md_setup/tests/python/reference/step14_mdrun_npt/npt.gro b/biobb_wf_md_setup/tests/python/reference/step14_mdrun_npt/npt.gro new file mode 100644 index 0000000..c176805 --- /dev/null +++ b/biobb_wf_md_setup/tests/python/reference/step14_mdrun_npt/npt.gro @@ -0,0 +1,21734 @@ +Protein in water +21731 + 1LYS N 1 4.031 4.422 1.492 -0.1656 -0.2413 0.7902 + 1LYS H1 2 4.019 4.509 1.542 -1.5030 0.0670 -0.0333 + 1LYS H2 3 4.080 4.437 1.405 -1.1167 1.4530 0.5057 + 1LYS H3 4 3.940 4.400 1.455 1.0601 0.6257 -3.3097 + 1LYS CA 5 4.094 4.297 1.549 -0.0348 0.3004 0.0659 + 1LYS HA 6 4.141 4.238 1.470 0.9381 0.2115 0.6989 + 1LYS CB 7 4.211 4.334 1.648 -0.0646 0.0845 0.1371 + 1LYS HB1 8 4.185 4.410 1.722 0.1355 0.4031 -0.1108 + 1LYS HB2 9 4.294 4.373 1.589 -0.5133 -0.4232 -0.8586 + 1LYS CG 10 4.268 4.209 1.717 -0.3181 0.0083 -0.7916 + 1LYS HG1 11 4.299 4.150 1.630 -1.0432 0.2458 -1.2218 + 1LYS HG2 12 4.190 4.158 1.772 1.1465 -0.5086 0.9039 + 1LYS CD 13 4.382 4.248 1.810 0.0114 -0.4896 -0.1464 + 1LYS HD1 14 4.347 4.314 1.889 1.3382 0.3921 -0.2684 + 1LYS HD2 15 4.468 4.295 1.762 0.2572 0.1028 0.8297 + 1LYS CE 16 4.420 4.107 1.865 0.1470 0.3544 -0.8066 + 1LYS HE1 17 4.425 4.035 1.783 -1.8680 -1.2423 0.3554 + 1LYS HE2 18 4.345 4.073 1.937 1.3510 -2.0099 -0.5682 + 1LYS NZ 19 4.549 4.099 1.941 0.0663 0.3350 0.6717 + 1LYS HZ1 20 4.557 4.004 1.976 -0.0502 0.5562 1.3073 + 1LYS HZ2 21 4.624 4.115 1.876 -1.4600 -0.2997 -1.3561 + 1LYS HZ3 22 4.550 4.167 2.015 -1.7618 -0.5539 1.5804 + 1LYS C 23 3.986 4.210 1.607 -0.6347 -0.1881 -0.5920 + 1LYS O 24 3.918 4.263 1.697 -0.2334 0.2115 0.2128 + 2VAL N 25 3.978 4.088 1.559 -0.2552 0.3406 -0.1855 + 2VAL H 26 4.057 4.066 1.500 0.4994 1.4519 0.3579 + 2VAL CA 27 3.899 3.983 1.625 0.2932 -0.3652 -0.2231 + 2VAL HA 28 3.823 4.032 1.686 -2.6748 -1.2505 -2.9274 + 2VAL CB 29 3.816 3.878 1.542 0.2289 -0.2251 0.2989 + 2VAL HB 30 3.883 3.810 1.488 -0.4131 -0.8394 0.2672 + 2VAL CG1 31 3.730 3.779 1.620 0.9336 0.2449 -0.4918 + 2VAL HG11 32 3.791 3.705 1.672 0.0402 -1.6373 -1.9586 + 2VAL HG12 33 3.671 3.831 1.695 -2.5985 0.0247 -2.8829 + 2VAL HG13 34 3.666 3.722 1.552 0.9699 1.0793 -1.2433 + 2VAL CG2 35 3.709 3.945 1.449 0.4037 -0.1844 0.0447 + 2VAL HG21 36 3.640 3.879 1.396 1.2172 -2.4487 1.6453 + 2VAL HG22 37 3.646 4.005 1.513 -1.0395 -1.4302 -0.1563 + 2VAL HG23 38 3.755 4.006 1.371 -0.4632 1.0502 0.4735 + 2VAL C 39 3.988 3.904 1.715 -0.2428 -0.0490 -0.2187 + 2VAL O 40 4.090 3.856 1.675 -0.1196 0.1079 -0.5527 + 3PHE N 41 3.950 3.900 1.844 -0.1501 0.2807 -0.1061 + 3PHE H 42 3.857 3.925 1.873 -0.6444 -0.1827 -1.2044 + 3PHE CA 43 4.025 3.838 1.952 0.7543 -0.0334 -0.2684 + 3PHE HA 44 4.129 3.842 1.920 0.9295 0.3655 0.3363 + 3PHE CB 45 4.014 3.926 2.075 0.0561 0.7097 0.3336 + 3PHE HB1 46 4.019 3.863 2.163 -0.1785 -0.4937 -0.4802 + 3PHE HB2 47 3.910 3.960 2.077 -0.0022 0.6313 -0.5547 + 3PHE CG 48 4.107 4.034 2.099 -0.1672 0.3615 0.8386 + 3PHE CD1 49 4.084 4.149 2.023 -0.1121 -0.1903 -0.4398 + 3PHE HD1 50 4.003 4.159 1.952 -0.2337 0.0766 -0.2678 + 3PHE CE1 51 4.162 4.263 2.044 0.2698 -0.8275 0.4737 + 3PHE HE1 52 4.146 4.358 1.997 0.1773 -0.0983 1.9085 + 3PHE CZ 53 4.266 4.255 2.142 0.3212 0.1526 -0.0355 + 3PHE HZ 54 4.327 4.343 2.154 -0.7912 0.9349 0.0338 + 3PHE CE2 55 4.294 4.137 2.209 0.4070 0.0170 -0.3991 + 3PHE HE2 56 4.377 4.140 2.278 -1.0088 1.0700 1.3633 + 3PHE CD2 57 4.210 4.026 2.197 -1.0595 -0.4143 0.0400 + 3PHE HD2 58 4.233 3.934 2.248 0.6144 -0.7618 -1.2149 + 3PHE C 59 3.988 3.690 1.977 -0.1169 0.3906 -0.1123 + 3PHE O 60 3.870 3.647 1.961 -0.3609 0.0526 0.0102 + 4GLY N 61 4.085 3.608 2.015 0.8029 0.0841 0.1149 + 4GLY H 62 4.182 3.637 2.010 0.5516 0.7743 -1.8134 + 4GLY CA 63 4.048 3.479 2.084 -0.5311 0.8428 -0.0532 + 4GLY HA1 64 4.134 3.414 2.092 -1.2362 -0.1612 -0.4393 + 4GLY HA2 65 3.964 3.436 2.030 -1.0017 3.2247 -1.3918 + 4GLY C 66 4.003 3.491 2.225 -0.1371 0.2245 0.4480 + 4GLY O 67 4.050 3.582 2.295 0.4612 0.1505 -0.2708 + 5ARG N 68 3.921 3.393 2.272 0.1065 0.3044 -0.6667 + 5ARG H 69 3.894 3.317 2.211 1.4238 -3.0981 2.5615 + 5ARG CA 70 3.869 3.400 2.409 -0.5346 -0.9767 -0.4833 + 5ARG HA 71 3.810 3.492 2.411 1.5208 0.5652 -3.1179 + 5ARG CB 72 3.782 3.279 2.444 0.4559 0.6846 0.5934 + 5ARG HB1 73 3.855 3.197 2.452 -0.0241 0.1019 -0.7380 + 5ARG HB2 74 3.709 3.265 2.365 0.0744 0.2621 1.0125 + 5ARG CG 75 3.718 3.278 2.586 0.5662 -0.9912 -0.1219 + 5ARG HG1 76 3.655 3.365 2.605 1.8588 -0.4305 1.8669 + 5ARG HG2 77 3.797 3.276 2.661 0.6990 -1.9747 -0.2720 + 5ARG CD 78 3.636 3.146 2.594 -0.2878 -0.6505 0.2847 + 5ARG HD1 79 3.569 3.150 2.508 -0.4435 0.9685 0.4673 + 5ARG HD2 80 3.580 3.138 2.687 1.9880 1.4632 1.9713 + 5ARG NE 81 3.715 3.020 2.579 -0.3237 -0.0049 0.6597 + 5ARG HE 82 3.715 2.979 2.487 2.2521 2.5564 -0.6579 + 5ARG CZ 83 3.771 2.949 2.669 0.7181 0.5312 -0.1149 + 5ARG NH1 84 3.781 2.987 2.789 -0.0234 0.0154 -0.0139 + 5ARG HH11 85 3.752 3.083 2.804 -4.0802 -0.8054 -1.3671 + 5ARG HH12 86 3.835 2.928 2.849 -0.2625 0.3255 0.5155 + 5ARG NH2 87 3.822 2.834 2.649 -0.7139 1.1280 -0.6635 + 5ARG HH21 88 3.836 2.799 2.555 -0.5373 -0.7747 0.0235 + 5ARG HH22 89 3.839 2.771 2.726 -1.6459 1.0862 -0.4770 + 5ARG C 90 3.973 3.428 2.519 0.6096 0.1084 -0.3408 + 5ARG O 91 3.958 3.521 2.596 0.1428 0.0189 -0.1299 + 6CYS N 92 4.075 3.338 2.525 -0.4193 0.1208 -0.1243 + 6CYS H 93 4.081 3.272 2.449 1.0341 0.4685 -0.3411 + 6CYS CA 94 4.192 3.339 2.604 -0.8729 -0.2286 -0.0332 + 6CYS HA 95 4.158 3.353 2.707 0.3789 1.9972 0.1493 + 6CYS CB 96 4.265 3.209 2.608 -0.7280 0.7245 -0.0800 + 6CYS HB1 97 4.351 3.223 2.674 0.8169 -1.2988 -1.5328 + 6CYS HB2 98 4.317 3.183 2.516 -0.0504 0.8729 0.2592 + 6CYS SG 99 4.182 3.057 2.654 0.0357 -0.1099 -0.0150 + 6CYS C 100 4.282 3.460 2.580 0.4207 -0.6418 0.1103 + 6CYS O 101 4.326 3.526 2.676 -0.0382 -0.1689 -0.4382 + 7GLU N 102 4.304 3.504 2.452 -0.3291 -0.0665 -0.1586 + 7GLU H 103 4.267 3.454 2.372 -0.5366 -0.0352 -0.0828 + 7GLU CA 104 4.377 3.631 2.418 1.2420 0.0633 0.5356 + 7GLU HA 105 4.472 3.633 2.471 1.2347 -0.6406 0.5866 + 7GLU CB 106 4.393 3.624 2.265 -0.0238 -0.1756 -1.2426 + 7GLU HB1 107 4.290 3.628 2.230 -0.5412 4.1732 0.2249 + 7GLU HB2 108 4.435 3.529 2.231 0.0153 -1.1772 1.3910 + 7GLU CG 109 4.474 3.750 2.224 -0.1003 -0.2586 0.2761 + 7GLU HG1 110 4.578 3.746 2.258 1.3265 1.4347 -3.3675 + 7GLU HG2 111 4.434 3.843 2.266 -1.2602 -0.3935 -0.4886 + 7GLU CD 112 4.475 3.767 2.067 -0.4861 -0.0212 -0.3623 + 7GLU OE1 113 4.381 3.719 2.002 -0.0837 0.3234 -0.5801 + 7GLU OE2 114 4.571 3.829 2.014 0.5041 0.8483 -0.0585 + 7GLU C 115 4.295 3.758 2.466 0.6945 -0.4917 0.3755 + 7GLU O 116 4.361 3.856 2.497 -0.4758 -0.5953 -0.1820 + 8LEU N 117 4.158 3.761 2.472 0.2653 0.5383 0.2339 + 8LEU H 118 4.102 3.685 2.434 -0.2910 2.1847 -2.4475 + 8LEU CA 119 4.083 3.873 2.533 0.0979 0.0164 -0.3569 + 8LEU HA 120 4.140 3.964 2.512 0.0684 -0.1838 -1.3505 + 8LEU CB 121 3.941 3.865 2.478 0.6467 -0.7622 -0.4854 + 8LEU HB1 122 3.893 3.778 2.523 1.4188 -0.1017 1.7575 + 8LEU HB2 123 3.939 3.855 2.369 -1.0960 0.1196 -0.5600 + 8LEU CG 124 3.866 3.995 2.506 -0.0883 -0.4564 -0.2290 + 8LEU HG 125 3.865 4.023 2.611 -1.0445 1.5907 -0.7376 + 8LEU CD1 126 3.913 4.118 2.420 -0.1661 -0.3275 0.3009 + 8LEU HD11 127 4.016 4.138 2.448 0.4447 -0.7662 -1.5002 + 8LEU HD12 128 3.916 4.095 2.314 2.1464 1.0661 0.0045 + 8LEU HD13 129 3.861 4.211 2.445 0.7476 0.5852 -1.0886 + 8LEU CD2 130 3.717 3.974 2.470 0.1084 -0.1487 -0.0438 + 8LEU HD21 131 3.672 4.068 2.502 1.1615 0.7109 -1.0201 + 8LEU HD22 132 3.700 3.972 2.362 0.0499 0.1462 -0.0424 + 8LEU HD23 133 3.672 3.894 2.529 -2.8362 1.8486 0.6394 + 8LEU C 134 4.087 3.862 2.687 0.1505 0.0013 -0.3313 + 8LEU O 135 4.103 3.966 2.749 0.3148 -0.6298 -0.3767 + 9ALA N 136 4.072 3.745 2.743 -0.7390 -0.0949 -0.3754 + 9ALA H 137 4.052 3.668 2.681 0.6461 0.0090 -0.9850 + 9ALA CA 138 4.082 3.720 2.885 -0.3536 -0.2583 -0.2302 + 9ALA HA 139 4.007 3.784 2.931 0.2000 -0.8203 1.5419 + 9ALA CB 140 4.037 3.574 2.913 0.5396 -0.2152 0.0083 + 9ALA HB1 141 4.085 3.499 2.850 -1.1288 -0.4461 -1.0436 + 9ALA HB2 142 4.042 3.557 3.020 -1.1280 -1.6826 -0.1101 + 9ALA HB3 143 3.932 3.566 2.885 1.0236 -0.9269 -1.7254 + 9ALA C 144 4.218 3.766 2.940 0.0767 0.6381 0.3081 + 9ALA O 145 4.214 3.819 3.052 1.2436 0.5966 0.2370 + 10ALA N 146 4.322 3.756 2.867 -0.0631 -0.4578 -0.0598 + 10ALA H 147 4.317 3.692 2.789 -0.3824 0.9041 -1.1943 + 10ALA CA 148 4.457 3.801 2.902 -0.0651 -0.5553 -0.1580 + 10ALA HA 149 4.475 3.768 3.004 0.6769 0.8007 0.1749 + 10ALA CB 150 4.564 3.725 2.817 0.2846 0.3387 0.0988 + 10ALA HB1 151 4.550 3.621 2.849 1.7234 -0.1535 -0.7665 + 10ALA HB2 152 4.534 3.730 2.712 -4.2501 -0.1102 1.1398 + 10ALA HB3 153 4.669 3.745 2.835 0.4045 0.9901 -1.2545 + 10ALA C 154 4.471 3.957 2.895 0.2728 0.2929 0.9760 + 10ALA O 155 4.522 4.024 2.980 -0.5458 0.0282 -0.6331 + 11ALA N 156 4.410 4.015 2.792 0.4207 -0.6312 0.6317 + 11ALA H 157 4.369 3.962 2.716 -2.3690 2.1961 -0.0569 + 11ALA CA 158 4.399 4.159 2.768 0.1935 -0.0606 0.9428 + 11ALA HA 159 4.500 4.197 2.748 0.6754 -2.1961 -1.0985 + 11ALA CB 160 4.324 4.170 2.632 0.1109 0.2899 -0.0693 + 11ALA HB1 161 4.341 4.275 2.605 0.6827 0.6974 1.7126 + 11ALA HB2 162 4.373 4.105 2.560 -2.2483 -0.2270 -1.2940 + 11ALA HB3 163 4.220 4.138 2.634 0.0604 0.1939 -2.3762 + 11ALA C 164 4.326 4.235 2.876 0.7488 -0.8388 -0.1195 + 11ALA O 165 4.373 4.337 2.917 -0.4318 0.1956 -0.3017 + 12MET N 166 4.208 4.186 2.916 0.0372 0.3649 0.1472 + 12MET H 167 4.170 4.101 2.876 -1.1387 0.3534 1.2311 + 12MET CA 168 4.129 4.252 3.021 -0.2334 0.9043 -0.8865 + 12MET HA 169 4.134 4.360 3.009 -0.0817 0.8761 -1.0707 + 12MET CB 170 3.977 4.204 3.023 0.2037 -0.5193 0.0395 + 12MET HB1 171 3.928 4.262 3.101 1.7482 -0.6304 1.1434 + 12MET HB2 172 3.964 4.098 3.041 -1.4248 -0.2271 0.7187 + 12MET CG 173 3.921 4.254 2.889 -0.4917 -0.2591 -0.3050 + 12MET HG1 174 3.963 4.194 2.808 1.5169 -1.1699 1.3169 + 12MET HG2 175 3.945 4.360 2.885 0.2173 -0.2931 1.8162 + 12MET SD 176 3.749 4.249 2.882 0.2016 -0.1345 -0.0242 + 12MET CE 177 3.723 4.303 2.716 0.3470 -0.6789 0.1981 + 12MET HE1 178 3.783 4.392 2.696 0.6629 -1.1246 -0.8802 + 12MET HE2 179 3.760 4.226 2.648 -0.0852 -1.0126 0.3360 + 12MET HE3 180 3.619 4.327 2.694 -0.7297 -3.2441 2.0493 + 12MET C 181 4.184 4.224 3.166 0.1001 -0.3424 0.0502 + 12MET O 182 4.139 4.291 3.261 -0.3738 0.1238 0.4734 + 13LYS N 183 4.275 4.119 3.180 0.1407 -0.0681 -0.1443 + 13LYS H 184 4.285 4.054 3.103 -2.6997 -2.5022 1.3521 + 13LYS CA 185 4.361 4.090 3.297 0.2647 0.7325 0.0056 + 13LYS HA 186 4.301 4.099 3.387 2.7634 1.6266 1.7105 + 13LYS CB 187 4.416 3.944 3.290 0.8335 -0.1587 0.4651 + 13LYS HB1 188 4.471 3.929 3.198 -0.0656 0.3260 -0.1678 + 13LYS HB2 189 4.337 3.869 3.296 0.3186 0.3807 0.6062 + 13LYS CG 190 4.511 3.912 3.408 -0.0771 0.3355 0.4222 + 13LYS HG1 191 4.584 3.992 3.423 -1.3444 1.6302 -0.1057 + 13LYS HG2 192 4.563 3.822 3.376 -0.6934 0.4502 -0.9667 + 13LYS CD 193 4.446 3.880 3.541 -0.0675 0.0606 0.5340 + 13LYS HD1 194 4.392 3.963 3.585 -2.3474 -0.7739 -0.5020 + 13LYS HD2 195 4.528 3.868 3.612 0.1598 -1.3936 0.0778 + 13LYS CE 196 4.351 3.755 3.548 -0.7038 -0.0280 0.1894 + 13LYS HE1 197 4.393 3.664 3.506 0.8031 1.3202 -1.4308 + 13LYS HE2 198 4.269 3.772 3.478 0.6043 3.5724 -0.7139 + 13LYS NZ 199 4.323 3.724 3.687 0.7681 0.4279 -0.5812 + 13LYS HZ1 200 4.245 3.773 3.728 0.0902 -0.7697 -0.3847 + 13LYS HZ2 201 4.297 3.627 3.696 -1.1646 0.7690 -2.0150 + 13LYS HZ3 202 4.402 3.733 3.749 1.0267 0.5995 -0.9368 + 13LYS C 203 4.468 4.198 3.313 0.0068 0.7026 -0.3541 + 13LYS O 204 4.482 4.255 3.423 -0.1499 0.4300 0.1045 + 14ARG N 205 4.542 4.233 3.204 0.8959 0.5045 0.0297 + 14ARG H 206 4.508 4.209 3.112 -0.4541 2.7365 -0.1339 + 14ARG CA 207 4.656 4.322 3.225 -0.1624 -1.0179 -0.5781 + 14ARG HA 208 4.705 4.301 3.320 -0.5106 1.5292 0.2447 + 14ARG CB 209 4.770 4.311 3.117 0.0306 -0.7055 0.2034 + 14ARG HB1 210 4.812 4.211 3.122 -1.9834 -1.5815 0.4406 + 14ARG HB2 211 4.848 4.386 3.133 -1.3103 0.7005 0.4824 + 14ARG CG 212 4.703 4.336 2.978 -0.3971 0.4506 0.3515 + 14ARG HG1 213 4.674 4.439 2.961 1.1855 0.5948 -1.8535 + 14ARG HG2 214 4.624 4.265 2.954 0.3991 -0.3355 -0.0111 + 14ARG CD 215 4.810 4.309 2.872 0.2555 0.2405 0.0512 + 14ARG HD1 216 4.903 4.361 2.896 -0.3655 1.0886 0.6674 + 14ARG HD2 217 4.767 4.348 2.780 1.2172 -3.0775 -1.9657 + 14ARG NE 218 4.831 4.164 2.842 0.0004 0.0120 -0.1431 + 14ARG HE 219 4.888 4.113 2.909 -1.5967 -1.5906 0.0614 + 14ARG CZ 220 4.782 4.100 2.741 -0.2740 0.9752 -0.7689 + 14ARG NH1 221 4.730 4.156 2.642 -0.3600 -0.1262 -0.2016 + 14ARG HH11 222 4.722 4.257 2.642 1.7296 0.1332 2.1792 + 14ARG HH12 223 4.693 4.098 2.568 -0.8188 1.3554 -1.1989 + 14ARG NH2 224 4.789 3.969 2.727 0.3616 -0.4363 -0.3150 + 14ARG HH21 225 4.838 3.907 2.790 0.8218 0.2634 0.0330 + 14ARG HH22 226 4.751 3.940 2.638 0.7177 -0.8073 -0.3442 + 14ARG C 227 4.603 4.467 3.245 0.7556 0.9072 0.7793 + 14ARG O 228 4.653 4.538 3.335 0.3745 -0.5113 -0.2344 + 15HIS N 229 4.498 4.505 3.173 -0.3869 -0.0423 -0.5605 + 15HIS H 230 4.475 4.442 3.098 2.2049 0.1568 -1.6343 + 15HIS CA 231 4.420 4.626 3.177 0.3044 -0.9011 -0.1491 + 15HIS HA 232 4.494 4.706 3.192 -0.1793 -0.0743 -1.9637 + 15HIS CB 233 4.354 4.644 3.044 0.0343 -0.1443 -0.3873 + 15HIS HB1 234 4.276 4.720 3.056 -2.0540 -2.3009 0.5127 + 15HIS HB2 235 4.296 4.560 3.008 -0.5291 0.2999 -0.5383 + 15HIS CG 236 4.457 4.692 2.938 -0.2959 0.0518 0.3546 + 15HIS ND1 237 4.534 4.615 2.854 -0.5703 0.4312 -0.1013 + 15HIS CE1 238 4.607 4.699 2.777 0.2430 0.0052 0.0084 + 15HIS HE1 239 4.675 4.672 2.697 -0.0431 -0.0864 -0.2031 + 15HIS NE2 240 4.574 4.824 2.816 -0.4630 0.1564 -0.3028 + 15HIS HE2 241 4.594 4.908 2.764 2.2516 0.7282 1.4799 + 15HIS CD2 242 4.481 4.822 2.913 0.1974 -0.6938 0.4091 + 15HIS HD2 243 4.422 4.907 2.944 -1.0673 0.3521 -4.1200 + 15HIS C 244 4.322 4.641 3.301 -0.3315 -0.0107 0.2934 + 15HIS O 245 4.255 4.738 3.316 0.5259 -0.0669 -0.3198 + 16GLY N 246 4.321 4.550 3.398 0.4177 0.2226 0.1697 + 16GLY H 247 4.360 4.459 3.378 0.3316 0.4703 -1.2580 + 16GLY CA 248 4.266 4.564 3.530 -0.8374 0.2255 0.3221 + 16GLY HA1 249 4.285 4.665 3.564 0.4260 -0.8898 3.2904 + 16GLY HA2 250 4.319 4.492 3.592 1.6120 0.6559 -1.1335 + 16GLY C 251 4.120 4.545 3.545 -0.2726 -0.3306 -0.4580 + 16GLY O 252 4.060 4.613 3.634 -0.2230 -0.0775 -0.5086 + 17LEU N 253 4.050 4.471 3.463 -0.0415 0.8040 -0.8737 + 17LEU H 254 4.099 4.421 3.391 0.7059 -1.2649 0.9795 + 17LEU CA 255 3.904 4.450 3.485 -0.5984 -0.2231 0.1794 + 17LEU HA 256 3.859 4.531 3.542 -0.0985 0.2471 -0.0867 + 17LEU CB 257 3.824 4.444 3.351 -0.0627 -0.3474 -0.3735 + 17LEU HB1 258 3.723 4.407 3.371 -0.2883 -0.0773 -0.9888 + 17LEU HB2 259 3.872 4.371 3.286 -0.3564 0.6420 -1.7378 + 17LEU CG 260 3.823 4.581 3.277 0.7252 -0.3057 -0.6969 + 17LEU HG 261 3.926 4.616 3.264 0.5417 1.8381 2.6281 + 17LEU CD1 262 3.764 4.545 3.138 0.2331 -0.4285 -0.0526 + 17LEU HD11 263 3.751 4.641 3.089 1.2549 -1.3912 -2.4311 + 17LEU HD12 264 3.834 4.482 3.081 1.2619 -0.0786 0.7939 + 17LEU HD13 265 3.674 4.485 3.147 -0.1492 0.0822 -0.4213 + 17LEU CD2 266 3.723 4.680 3.345 -1.2630 -0.2688 0.1065 + 17LEU HD21 267 3.762 4.699 3.445 -0.2536 -0.8304 -0.1630 + 17LEU HD22 268 3.728 4.767 3.280 -0.9138 -0.9747 -0.8418 + 17LEU HD23 269 3.622 4.641 3.334 -1.3924 0.2319 -0.5514 + 17LEU C 270 3.869 4.335 3.571 0.4551 -0.2783 0.4799 + 17LEU O 271 3.750 4.313 3.596 -0.0640 -0.6114 0.3900 + 18ASP N 272 3.963 4.256 3.618 -0.1979 0.5999 0.7046 + 18ASP H 273 4.059 4.288 3.621 -0.0888 0.2476 1.3057 + 18ASP CA 274 3.925 4.139 3.702 0.2486 0.1766 -1.1039 + 18ASP HA 275 3.835 4.097 3.657 0.3026 0.5852 -1.5998 + 18ASP CB 276 4.030 4.031 3.696 -0.3047 0.1725 0.3905 + 18ASP HB1 277 4.123 4.078 3.728 -1.2130 0.8952 2.1026 + 18ASP HB2 278 4.050 4.006 3.592 -2.4324 -0.3178 0.0559 + 18ASP CG 279 4.000 3.903 3.774 -0.7245 -0.5027 -0.4177 + 18ASP OD1 280 3.883 3.867 3.800 -0.6471 0.6384 -0.0408 + 18ASP OD2 281 4.101 3.828 3.808 0.4038 -0.2535 -0.7713 + 18ASP C 282 3.885 4.187 3.842 0.2251 0.2139 -0.1689 + 18ASP O 283 3.957 4.266 3.905 -0.0580 0.4186 -0.0306 + 19ASN N 284 3.763 4.154 3.884 0.0374 0.1004 0.1113 + 19ASN H 285 3.701 4.100 3.826 -0.5926 1.4601 -0.5075 + 19ASN CA 286 3.702 4.210 4.000 0.1514 0.5530 -0.6005 + 19ASN HA 287 3.604 4.162 4.006 1.0689 -1.3016 0.2797 + 19ASN CB 288 3.778 4.156 4.131 0.7522 0.0931 -0.6476 + 19ASN HB1 289 3.880 4.193 4.130 0.1587 1.9769 0.9729 + 19ASN HB2 290 3.785 4.047 4.124 -1.8026 -0.4597 2.5510 + 19ASN CG 291 3.719 4.188 4.272 0.9579 0.6903 0.2358 + 19ASN OD1 292 3.605 4.162 4.307 0.1551 -0.4515 -0.9990 + 19ASN ND2 293 3.789 4.251 4.361 -0.1797 -0.0718 0.4234 + 19ASN HD21 294 3.883 4.283 4.340 0.0938 -1.8338 -1.3200 + 19ASN HD22 295 3.742 4.271 4.448 -1.7311 -1.0026 -0.1661 + 19ASN C 296 3.689 4.367 4.004 -0.4469 -0.0427 -0.2867 + 19ASN O 297 3.661 4.434 4.106 -0.4125 -0.3271 -0.4729 + 20TYR N 298 3.691 4.430 3.883 -0.4158 -0.0227 0.5004 + 20TYR H 299 3.704 4.373 3.801 2.4133 -0.0371 0.8516 + 20TYR CA 300 3.666 4.571 3.870 0.6877 0.1394 -0.3316 + 20TYR HA 301 3.732 4.612 3.946 -0.3671 0.3449 0.5012 + 20TYR CB 302 3.719 4.628 3.736 0.7251 0.9255 -0.0873 + 20TYR HB1 303 3.641 4.593 3.669 -1.7501 -0.0889 3.0928 + 20TYR HB2 304 3.818 4.585 3.721 0.0456 -0.6927 -0.0770 + 20TYR CG 305 3.728 4.779 3.738 0.1956 -0.5082 0.3110 + 20TYR CD1 306 3.843 4.841 3.799 -0.0383 -0.0646 0.3444 + 20TYR HD1 307 3.934 4.789 3.827 -0.2194 0.6741 2.5059 + 20TYR CE1 308 3.835 4.974 3.830 0.1526 0.1320 0.8552 + 20TYR HE1 309 3.918 5.028 3.873 -0.6829 1.1574 1.2030 + 20TYR CZ 310 3.721 5.052 3.800 0.9412 0.1533 -0.0346 + 20TYR OH 311 3.720 5.176 3.847 0.0507 -0.3985 0.3435 + 20TYR HH 312 3.649 5.237 3.825 0.0212 -0.9703 -1.2503 + 20TYR CE2 313 3.612 4.993 3.738 0.1662 -0.6278 -0.5616 + 20TYR HE2 314 3.521 5.050 3.737 1.3783 1.4045 -1.5600 + 20TYR CD2 315 3.608 4.857 3.714 0.0817 0.0967 0.8304 + 20TYR HD2 316 3.522 4.798 3.688 2.3325 -3.9803 1.8643 + 20TYR C 317 3.519 4.604 3.905 0.1958 0.1236 0.3900 + 20TYR O 318 3.429 4.530 3.857 0.7316 -0.5316 0.0607 + 21ARG N 319 3.501 4.699 3.992 -0.3627 -1.1980 0.2440 + 21ARG H 320 3.590 4.744 4.010 -0.0790 -0.6126 -2.2650 + 21ARG CA 321 3.379 4.717 4.080 0.5208 -0.3024 0.0313 + 21ARG HA 322 3.412 4.777 4.164 -1.3926 1.0374 -0.0926 + 21ARG CB 323 3.276 4.810 4.009 0.5730 -0.7407 -0.3976 + 21ARG HB1 324 3.197 4.834 4.079 0.3472 -2.2000 -0.1188 + 21ARG HB2 325 3.224 4.754 3.931 -0.0963 1.5269 -1.6711 + 21ARG CG 326 3.321 4.944 3.955 -0.1674 0.4654 -0.5555 + 21ARG HG1 327 3.230 4.989 3.914 -0.0678 0.7068 -0.5113 + 21ARG HG2 328 3.393 4.932 3.875 0.4082 -0.7634 0.1300 + 21ARG CD 329 3.373 5.039 4.061 -0.7563 -0.5860 0.0220 + 21ARG HD1 330 3.332 4.996 4.152 0.0845 0.3755 0.8842 + 21ARG HD2 331 3.339 5.142 4.047 2.0673 0.4408 -0.0393 + 21ARG NE 332 3.518 5.042 4.088 -0.1108 -0.9592 -0.3921 + 21ARG HE 333 3.563 4.957 4.119 -0.8700 -0.7497 1.3460 + 21ARG CZ 334 3.578 5.156 4.127 -0.3083 0.1971 0.1745 + 21ARG NH1 335 3.689 5.158 4.198 -0.0081 -0.1608 -0.0283 + 21ARG HH11 336 3.729 5.067 4.215 0.5143 0.0879 0.1040 + 21ARG HH12 337 3.741 5.244 4.212 -1.1227 0.4667 0.3783 + 21ARG NH2 338 3.530 5.274 4.087 0.0990 0.7303 -0.3112 + 21ARG HH21 339 3.446 5.285 4.031 0.1193 -1.2316 -0.8028 + 21ARG HH22 340 3.584 5.357 4.106 -0.1748 0.7649 0.3505 + 21ARG C 341 3.313 4.590 4.139 0.3577 -1.0012 -0.0812 + 21ARG O 342 3.193 4.586 4.168 0.3988 0.8386 -0.2269 + 22GLY N 343 3.394 4.489 4.152 0.1761 0.3692 0.4674 + 22GLY H 344 3.486 4.494 4.110 0.4258 0.0036 0.9539 + 22GLY CA 345 3.358 4.360 4.208 0.3235 0.1206 -0.0991 + 22GLY HA1 346 3.281 4.376 4.283 0.7452 1.6272 0.0501 + 22GLY HA2 347 3.446 4.323 4.261 0.7504 1.2177 -0.0097 + 22GLY C 348 3.311 4.262 4.103 0.4006 0.2590 -0.0083 + 22GLY O 349 3.260 4.160 4.143 -0.1994 0.7374 0.3473 + 23TYR N 350 3.316 4.289 3.977 -0.2374 0.1751 0.5955 + 23TYR H 351 3.351 4.376 3.941 -1.4485 0.2957 -0.3694 + 23TYR CA 352 3.285 4.196 3.866 -0.2270 0.2774 -0.0916 + 23TYR HA 353 3.224 4.116 3.909 0.7303 -1.4110 -1.6911 + 23TYR CB 354 3.218 4.275 3.750 0.1483 -0.5524 -0.6789 + 23TYR HB1 355 3.211 4.214 3.661 -1.1496 -1.7287 0.1923 + 23TYR HB2 356 3.280 4.362 3.728 -1.8056 1.0303 -0.1438 + 23TYR CG 357 3.083 4.331 3.792 -0.1606 0.2240 0.1641 + 23TYR CD1 358 2.969 4.261 3.771 0.0802 -0.0122 -0.2965 + 23TYR HD1 359 2.975 4.158 3.740 -0.6149 0.0595 -0.6990 + 23TYR CE1 360 2.842 4.311 3.803 0.1472 -0.3139 -0.4295 + 23TYR HE1 361 2.757 4.249 3.783 -0.8869 0.6809 0.7714 + 23TYR CZ 362 2.827 4.440 3.861 -0.0934 0.7904 0.6133 + 23TYR OH 363 2.702 4.490 3.894 -0.4716 -0.4031 0.0459 + 23TYR HH 364 2.714 4.557 3.962 -0.3943 -0.1323 -0.2342 + 23TYR CE2 365 2.946 4.512 3.889 -0.6111 -0.2545 0.0569 + 23TYR HE2 366 2.944 4.610 3.935 2.6398 -0.4663 0.8887 + 23TYR CD2 367 3.069 4.459 3.846 0.9603 -0.2655 0.0311 + 23TYR HD2 368 3.156 4.522 3.859 0.5085 0.5270 -0.6886 + 23TYR C 369 3.410 4.120 3.814 -0.0508 1.2408 -0.4502 + 23TYR O 370 3.504 4.174 3.765 0.0367 -0.1419 -0.3115 + 24SER N 371 3.411 3.987 3.833 0.2098 0.0071 -0.7240 + 24SER H 372 3.322 3.954 3.867 -0.6732 2.1284 -0.7801 + 24SER CA 373 3.518 3.896 3.810 0.4507 -0.0582 -0.0435 + 24SER HA 374 3.606 3.930 3.863 0.8887 -2.2770 0.7745 + 24SER CB 375 3.470 3.761 3.868 -0.4634 0.5825 -0.1537 + 24SER HB1 376 3.438 3.774 3.971 -0.8672 2.7324 -0.4853 + 24SER HB2 377 3.558 3.697 3.868 0.7187 2.0452 -2.3868 + 24SER OG 378 3.365 3.701 3.800 0.5784 0.5653 0.0781 + 24SER HG 379 3.371 3.606 3.807 0.0442 0.1911 -2.9813 + 24SER C 380 3.546 3.880 3.663 -0.4127 0.7134 -0.3876 + 24SER O 381 3.452 3.902 3.589 0.1195 0.1089 -0.0325 + 25LEU N 382 3.673 3.856 3.615 0.4085 -0.6437 -0.2559 + 25LEU H 383 3.742 3.862 3.689 -0.8459 0.6119 0.8792 + 25LEU CA 384 3.715 3.865 3.474 0.6713 -0.3525 -0.0318 + 25LEU HA 385 3.742 3.968 3.449 1.4933 0.2103 2.8087 + 25LEU CB 386 3.841 3.788 3.471 -0.6533 0.3011 0.5693 + 25LEU HB1 387 3.840 3.689 3.515 1.4732 0.0451 0.1485 + 25LEU HB2 388 3.916 3.838 3.533 0.3655 -0.6199 0.1194 + 25LEU CG 389 3.910 3.783 3.326 1.0918 0.1705 0.1584 + 25LEU HG 390 3.858 3.708 3.265 2.2114 -2.1366 1.8779 + 25LEU CD1 391 3.911 3.919 3.247 0.2399 0.3750 -0.1895 + 25LEU HD11 392 3.960 4.002 3.298 -0.0434 -0.3266 1.2762 + 25LEU HD12 393 3.959 3.895 3.153 -1.0905 0.0543 -0.8191 + 25LEU HD13 394 3.806 3.942 3.229 0.0811 -0.6977 -0.6936 + 25LEU CD2 395 4.055 3.742 3.336 0.2393 -0.1203 0.3781 + 25LEU HD21 396 4.087 3.703 3.240 -0.2567 1.8345 -0.6349 + 25LEU HD22 397 4.122 3.828 3.343 -0.2918 0.3881 -0.7058 + 25LEU HD23 398 4.073 3.667 3.414 1.2776 0.5971 0.8672 + 25LEU C 399 3.611 3.799 3.378 -0.3303 -0.6000 -0.2625 + 25LEU O 400 3.572 3.853 3.273 -0.4456 0.0192 -0.0103 + 26GLY N 401 3.558 3.680 3.412 -0.2873 -0.0892 0.0622 + 26GLY H 402 3.579 3.636 3.501 2.2480 1.3712 0.3031 + 26GLY CA 403 3.476 3.605 3.318 0.1102 -0.1115 -0.1592 + 26GLY HA1 404 3.452 3.509 3.364 0.1357 1.2235 2.9458 + 26GLY HA2 405 3.529 3.595 3.223 -1.7407 1.8432 -1.4762 + 26GLY C 406 3.349 3.678 3.283 -0.3491 -0.0179 -0.0377 + 26GLY O 407 3.290 3.661 3.174 0.1246 -0.5117 -0.8050 + 27ASN N 408 3.293 3.768 3.368 -0.6801 0.5026 -0.1574 + 27ASN H 409 3.350 3.791 3.447 0.0505 0.9206 -0.7949 + 27ASN CA 410 3.184 3.857 3.331 -0.3233 -0.2658 0.2545 + 27ASN HA 411 3.094 3.799 3.311 -0.4290 -0.1971 0.5332 + 27ASN CB 412 3.153 3.954 3.441 0.4437 -0.0970 -0.9630 + 27ASN HB1 413 3.077 4.027 3.412 0.3470 0.0028 -0.4696 + 27ASN HB2 414 3.237 4.017 3.472 1.7214 -2.3121 0.3428 + 27ASN CG 415 3.085 3.896 3.565 -0.0917 -0.5140 0.0248 + 27ASN OD1 416 2.964 3.891 3.571 0.0316 0.4635 -0.8006 + 27ASN ND2 417 3.162 3.844 3.654 0.2962 0.1067 -0.4260 + 27ASN HD21 418 3.262 3.833 3.643 0.3529 1.3349 -1.3169 + 27ASN HD22 419 3.113 3.806 3.733 -1.3863 -0.2479 -1.5707 + 27ASN C 420 3.212 3.949 3.210 -0.1865 0.3266 0.3654 + 27ASN O 421 3.132 3.949 3.114 0.3064 0.1360 -0.3761 + 28TRP N 422 3.330 4.014 3.215 0.1670 -0.0537 0.4247 + 28TRP H 423 3.395 3.999 3.290 0.1560 0.1410 0.4732 + 28TRP CA 424 3.376 4.099 3.108 0.7913 0.2983 -0.5875 + 28TRP HA 425 3.308 4.184 3.096 -0.4874 -0.1568 2.4403 + 28TRP CB 426 3.500 4.161 3.159 -0.4757 1.0249 0.1585 + 28TRP HB1 427 3.540 4.223 3.079 -0.0800 0.1207 -0.3689 + 28TRP HB2 428 3.581 4.088 3.167 0.5983 2.2605 1.1261 + 28TRP CG 429 3.489 4.243 3.281 -0.2141 0.2814 -0.0661 + 28TRP CD1 430 3.522 4.210 3.403 0.0007 0.1612 0.0029 + 28TRP HD1 431 3.567 4.118 3.437 -1.3754 -0.7121 -0.4382 + 28TRP NE1 432 3.479 4.315 3.491 0.3555 0.0205 -0.2540 + 28TRP HE1 433 3.485 4.300 3.591 -0.0303 -1.0506 -0.3778 + 28TRP CE2 434 3.413 4.417 3.419 -0.8974 -0.0729 -0.1637 + 28TRP CZ2 435 3.362 4.545 3.460 0.1150 -0.1211 1.0158 + 28TRP HZ2 436 3.372 4.580 3.562 0.9041 -0.6837 1.1403 + 28TRP CH2 437 3.315 4.622 3.351 -0.7966 -0.3994 0.5684 + 28TRP HH2 438 3.283 4.724 3.368 1.5190 0.8710 -1.8912 + 28TRP CZ3 439 3.325 4.582 3.215 -0.7330 -0.6359 0.2092 + 28TRP HZ3 440 3.290 4.650 3.139 -0.1805 0.0008 0.5138 + 28TRP CE3 441 3.372 4.449 3.180 -0.2947 -0.2997 -0.6100 + 28TRP HE3 442 3.384 4.416 3.078 1.2606 1.9333 -1.2034 + 28TRP CD2 443 3.416 4.366 3.287 -0.2422 -0.0924 0.2936 + 28TRP C 444 3.396 4.023 2.976 -0.7857 0.1048 1.4702 + 28TRP O 445 3.356 4.077 2.867 -0.1081 0.0920 0.1139 + 29VAL N 446 3.454 3.903 2.977 0.0418 0.0991 0.3228 + 29VAL H 447 3.486 3.867 3.066 0.4707 0.2525 0.2346 + 29VAL CA 448 3.467 3.819 2.857 -0.3661 0.2359 0.6991 + 29VAL HA 449 3.512 3.879 2.777 -0.8151 0.7972 0.8668 + 29VAL CB 450 3.543 3.687 2.887 -0.6548 0.1588 -0.7076 + 29VAL HB 451 3.474 3.627 2.947 0.6552 -0.2861 0.4268 + 29VAL CG1 452 3.580 3.623 2.752 0.6883 -0.7801 -0.9542 + 29VAL HG11 453 3.636 3.529 2.761 -0.8137 -1.7960 -1.7743 + 29VAL HG12 454 3.486 3.586 2.710 -0.6822 0.0832 1.2219 + 29VAL HG13 455 3.625 3.695 2.683 -0.6705 -0.2387 -1.3078 + 29VAL CG2 456 3.674 3.696 2.974 0.1258 -0.8597 -0.7948 + 29VAL HG21 457 3.714 3.596 2.988 -0.8070 -1.1417 0.0188 + 29VAL HG22 458 3.756 3.746 2.922 1.6150 -1.3735 0.9544 + 29VAL HG23 459 3.652 3.739 3.072 0.6169 -0.3628 -0.8960 + 29VAL C 460 3.328 3.779 2.796 0.4219 0.3625 0.2476 + 29VAL O 461 3.308 3.795 2.671 -0.1407 0.1009 0.1714 + 30CYS N 462 3.244 3.731 2.887 0.3572 -0.5944 0.2360 + 30CYS H 463 3.274 3.731 2.983 -1.0308 0.3128 0.7081 + 30CYS CA 464 3.109 3.689 2.848 0.1428 -0.1418 0.1678 + 30CYS HA 465 3.130 3.612 2.774 2.9620 0.8867 -0.2250 + 30CYS CB 466 3.033 3.624 2.965 0.5004 -0.4115 -1.1822 + 30CYS HB1 467 3.026 3.694 3.048 -0.9190 -1.8503 -0.0151 + 30CYS HB2 468 3.079 3.532 3.000 0.8239 0.9504 2.4793 + 30CYS SG 469 2.854 3.598 2.932 -0.0902 -0.2464 0.4459 + 30CYS C 470 3.024 3.811 2.789 0.4455 -0.5897 -0.1916 + 30CYS O 471 2.946 3.794 2.695 -0.2696 1.0034 0.3400 + 31ALA N 472 3.035 3.931 2.844 0.3366 -0.3731 -0.0567 + 31ALA H 473 3.093 3.950 2.924 -0.0928 -1.2308 0.4771 + 31ALA CA 474 2.964 4.051 2.792 -0.1333 0.6272 -0.2906 + 31ALA HA 475 2.856 4.043 2.779 -0.1103 0.7652 -0.5952 + 31ALA CB 476 2.992 4.168 2.885 0.1031 -0.1225 0.5283 + 31ALA HB1 477 2.974 4.146 2.991 0.9740 -0.5528 0.5922 + 31ALA HB2 478 3.096 4.196 2.874 -0.0726 -0.2270 -1.7493 + 31ALA HB3 479 2.929 4.255 2.868 0.6333 0.4435 1.3931 + 31ALA C 480 3.027 4.089 2.650 -0.0210 -0.0278 -0.9316 + 31ALA O 481 2.951 4.116 2.560 -0.3123 0.3965 -0.4150 + 32ALA N 482 3.164 4.087 2.634 0.6321 -0.6772 -0.0757 + 32ALA H 483 3.222 4.069 2.715 0.8716 -0.4439 -0.1958 + 32ALA CA 484 3.227 4.115 2.503 -0.4976 0.7678 0.3583 + 32ALA HA 485 3.192 4.206 2.455 1.2623 -0.0787 -2.8232 + 32ALA CB 486 3.375 4.142 2.531 0.7947 -0.2638 0.0372 + 32ALA HB1 487 3.423 4.160 2.434 1.9078 1.3955 0.8549 + 32ALA HB2 488 3.378 4.221 2.605 -3.2568 -0.2800 0.4005 + 32ALA HB3 489 3.423 4.050 2.565 0.0687 -0.1809 1.3314 + 32ALA C 490 3.205 4.005 2.394 -0.0645 0.5081 0.0047 + 32ALA O 491 3.213 4.028 2.274 0.0913 -0.5701 -0.4748 + 33LYS N 492 3.175 3.884 2.440 -0.2047 0.8798 0.0916 + 33LYS H 493 3.165 3.870 2.539 -1.7054 1.0363 -0.0024 + 33LYS CA 494 3.131 3.776 2.350 -0.1001 -0.1716 -0.5003 + 33LYS HA 495 3.203 3.766 2.269 -0.2012 -0.8374 -0.5082 + 33LYS CB 496 3.126 3.639 2.418 0.3450 -0.5429 1.0448 + 33LYS HB1 497 3.073 3.652 2.512 -1.4488 3.1045 -0.2666 + 33LYS HB2 498 3.226 3.601 2.438 1.0752 0.5556 -0.3654 + 33LYS CG 499 3.059 3.533 2.323 0.1298 -0.4684 -0.5664 + 33LYS HG1 500 2.961 3.568 2.290 -0.7824 -0.5870 1.7907 + 33LYS HG2 501 3.031 3.442 2.376 -0.9424 0.4576 0.5164 + 33LYS CD 502 3.152 3.492 2.210 0.5926 -0.5795 0.0534 + 33LYS HD1 503 3.250 3.469 2.252 0.0647 -0.4917 1.3801 + 33LYS HD2 504 3.158 3.576 2.140 0.2613 -0.2884 0.3684 + 33LYS CE 505 3.101 3.368 2.143 0.6549 -0.3054 0.4393 + 33LYS HE1 506 2.992 3.368 2.143 0.6171 1.5401 0.2191 + 33LYS HE2 507 3.138 3.288 2.207 0.8937 -0.5565 -0.0079 + 33LYS NZ 508 3.166 3.346 2.013 -0.2388 0.3030 -0.5884 + 33LYS HZ1 509 3.145 3.423 1.952 -0.5867 0.8090 0.1599 + 33LYS HZ2 510 3.266 3.338 2.015 -0.2121 0.7207 0.6838 + 33LYS HZ3 511 3.118 3.272 1.964 -0.5687 -0.2378 0.5137 + 33LYS C 512 2.995 3.805 2.285 -0.4203 0.2098 0.0140 + 33LYS O 513 2.992 3.798 2.166 0.0290 -0.8093 0.0274 + 34PHE N 514 2.890 3.835 2.363 0.2456 -0.3037 -0.1877 + 34PHE H 515 2.906 3.846 2.462 0.6969 1.1314 -0.4014 + 34PHE CA 516 2.753 3.840 2.298 0.2766 0.4286 0.4692 + 34PHE HA 517 2.755 3.774 2.212 1.1800 1.3737 -0.2659 + 34PHE CB 518 2.646 3.799 2.394 0.2793 0.6847 0.2942 + 34PHE HB1 519 2.547 3.806 2.348 0.2693 -1.2028 -0.0140 + 34PHE HB2 520 2.638 3.859 2.485 -1.1860 -0.8336 1.2199 + 34PHE CG 521 2.660 3.650 2.425 -0.7586 -0.8185 0.1457 + 34PHE CD1 522 2.646 3.547 2.330 -0.1346 0.3845 0.0514 + 34PHE HD1 523 2.640 3.556 2.222 -1.4460 1.4674 0.1928 + 34PHE CE1 524 2.648 3.410 2.369 -0.4729 0.1622 0.2847 + 34PHE HE1 525 2.647 3.332 2.295 0.9135 -0.3301 0.7401 + 34PHE CZ 526 2.684 3.375 2.501 0.8259 -0.5960 0.1178 + 34PHE HZ 527 2.684 3.271 2.530 -2.0830 -1.2403 -1.8134 + 34PHE CE2 528 2.711 3.477 2.595 0.5840 0.3114 -0.3034 + 34PHE HE2 529 2.730 3.457 2.700 -0.4755 -1.3717 -0.3856 + 34PHE CD2 530 2.702 3.613 2.555 -0.1480 0.6826 -0.4231 + 34PHE HD2 531 2.715 3.688 2.631 0.6284 1.9141 -1.7281 + 34PHE C 532 2.729 3.978 2.237 -0.5968 -0.0106 0.5972 + 34PHE O 533 2.664 3.975 2.130 -0.4471 -0.5857 0.0176 + 35GLU N 534 2.795 4.082 2.290 -0.0901 0.1759 0.5569 + 35GLU H 535 2.857 4.065 2.367 0.2303 -0.7185 0.1147 + 35GLU CA 536 2.772 4.219 2.238 0.1872 0.4793 1.5023 + 35GLU HA 537 2.668 4.239 2.213 0.5274 -0.7427 -1.1508 + 35GLU CB 538 2.809 4.322 2.347 -0.5127 0.2025 0.2148 + 35GLU HB1 539 2.819 4.419 2.298 1.3863 -1.3396 -2.7343 + 35GLU HB2 540 2.904 4.288 2.388 -0.8409 -2.7169 -1.2099 + 35GLU CG 541 2.717 4.337 2.472 -0.0320 -0.7316 1.1436 + 35GLU HG1 542 2.768 4.401 2.544 0.7427 -0.5486 0.4457 + 35GLU HG2 543 2.704 4.235 2.510 1.2558 -1.4498 -0.2233 + 35GLU CD 544 2.583 4.395 2.447 -0.1848 -0.5201 0.0832 + 35GLU OE1 545 2.529 4.407 2.331 -0.1431 0.3456 -0.0383 + 35GLU OE2 546 2.524 4.435 2.549 -0.0498 0.2875 0.1304 + 35GLU C 547 2.858 4.244 2.108 -0.4090 -0.3370 -0.0856 + 35GLU O 548 2.807 4.306 2.021 0.0189 -0.1590 0.0785 + 36SER N 549 2.977 4.191 2.087 -0.0762 0.2037 0.0633 + 36SER H 550 3.017 4.132 2.159 -0.1382 -0.1662 -0.1982 + 36SER CA 551 3.062 4.215 1.969 0.0641 -0.9199 -0.2456 + 36SER HA 552 3.007 4.280 1.901 1.1655 -0.8370 -1.0839 + 36SER CB 553 3.180 4.300 2.009 -0.3522 -0.3046 -0.1697 + 36SER HB1 554 3.148 4.390 2.061 1.1206 -0.5354 1.2335 + 36SER HB2 555 3.223 4.330 1.913 -0.9293 -0.4053 -0.4676 + 36SER OG 556 3.274 4.231 2.086 0.4409 -0.0942 -0.0364 + 36SER HG 557 3.225 4.219 2.168 -0.4005 3.0465 0.0659 + 36SER C 558 3.115 4.093 1.899 0.1017 -0.1694 0.1960 + 36SER O 559 3.151 4.108 1.781 0.4100 -0.2479 -0.0806 + 37ASN N 560 3.104 3.972 1.953 0.1981 -0.4304 -0.1616 + 37ASN H 561 3.067 3.977 2.047 -1.7028 -0.1345 -0.8739 + 37ASN CA 562 3.170 3.849 1.906 0.0467 0.2784 -0.3505 + 37ASN HA 563 3.161 3.769 1.979 -0.8845 -0.6874 -1.4891 + 37ASN CB 564 3.101 3.793 1.778 -0.1120 0.2198 -0.2465 + 37ASN HB1 565 3.134 3.836 1.684 -1.7002 1.0937 -0.4281 + 37ASN HB2 566 2.995 3.816 1.786 0.2463 1.6513 0.7828 + 37ASN CG 567 3.109 3.645 1.776 -0.1558 -0.2530 -0.5888 + 37ASN OD1 568 3.178 3.576 1.853 0.5028 -0.0951 -0.2564 + 37ASN ND2 569 3.040 3.585 1.684 0.5771 -0.4708 -0.1772 + 37ASN HD21 570 2.973 3.631 1.624 -2.0475 -1.7841 1.5417 + 37ASN HD22 571 3.051 3.487 1.665 -2.6573 -1.6939 3.1406 + 37ASN C 572 3.329 3.860 1.894 0.5892 -0.3951 0.1127 + 37ASN O 573 3.391 3.813 1.797 -0.6469 -0.2901 0.0181 + 38PHE N 574 3.378 3.932 1.988 0.6092 0.1531 -0.1277 + 38PHE H 575 3.317 3.976 2.055 0.1121 -0.4681 -0.1689 + 38PHE CA 576 3.526 3.950 2.012 -0.4803 -0.3068 0.0096 + 38PHE HA 577 3.532 4.017 2.098 -2.2524 1.4982 -1.1807 + 38PHE CB 578 3.602 3.812 2.036 0.5872 0.6547 -0.5609 + 38PHE HB1 579 3.701 3.846 2.066 0.0222 0.1536 2.1371 + 38PHE HB2 580 3.600 3.750 1.947 2.4914 -0.3394 0.0391 + 38PHE CG 581 3.557 3.724 2.156 0.3245 -0.2487 0.2052 + 38PHE CD1 582 3.510 3.785 2.279 0.0149 -0.1364 0.0255 + 38PHE HD1 583 3.524 3.892 2.285 0.0657 -0.0357 -1.4591 + 38PHE CE1 584 3.467 3.710 2.388 0.2325 -0.8464 0.3125 + 38PHE HE1 585 3.435 3.755 2.482 -1.0426 -1.5664 0.2512 + 38PHE CZ 586 3.480 3.574 2.381 -0.0696 -0.9052 -0.4369 + 38PHE HZ 587 3.445 3.519 2.467 -0.8182 2.0816 1.3217 + 38PHE CE2 588 3.531 3.516 2.262 0.0934 0.6481 -0.1869 + 38PHE HE2 589 3.530 3.409 2.251 -2.6656 0.6269 -0.5532 + 38PHE CD2 590 3.566 3.588 2.151 -0.4459 0.3302 -0.6665 + 38PHE HD2 591 3.584 3.538 2.057 -0.7698 -0.8732 -0.1038 + 38PHE C 592 3.587 4.054 1.919 0.0842 -0.2536 0.1413 + 38PHE O 593 3.704 4.048 1.885 0.7014 -0.3936 0.1926 + 39ASN N 594 3.502 4.144 1.865 0.2122 -0.1370 0.5090 + 39ASN H 595 3.407 4.157 1.895 0.1093 0.6032 -0.1118 + 39ASN CA 596 3.538 4.220 1.747 0.1507 -0.2993 -0.9909 + 39ASN HA 597 3.637 4.195 1.707 0.1077 0.7137 -1.7761 + 39ASN CB 598 3.440 4.193 1.629 -0.0479 -0.4700 -0.9373 + 39ASN HB1 599 3.342 4.237 1.647 0.4427 0.3006 -0.0446 + 39ASN HB2 600 3.426 4.087 1.609 -2.5441 -0.4609 0.3391 + 39ASN CG 601 3.494 4.260 1.502 0.2243 0.4995 -1.5129 + 39ASN OD1 602 3.601 4.311 1.503 0.1328 0.1754 -0.6392 + 39ASN ND2 603 3.426 4.243 1.397 -0.2672 0.3306 0.3671 + 39ASN HD21 604 3.348 4.179 1.393 0.3366 -0.4085 0.3387 + 39ASN HD22 605 3.450 4.292 1.312 -2.7216 1.0794 0.0198 + 39ASN C 606 3.547 4.368 1.784 0.9563 0.2876 0.1679 + 39ASN O 607 3.444 4.432 1.810 -0.7398 -0.6850 -0.6744 + 40THR N 608 3.668 4.430 1.776 -0.5734 -0.7112 0.3749 + 40THR H 609 3.745 4.369 1.751 0.8556 1.7237 -1.6320 + 40THR CA 610 3.689 4.575 1.790 0.7734 -0.0033 0.2430 + 40THR HA 611 3.637 4.608 1.880 -1.7934 0.4539 -1.3186 + 40THR CB 612 3.833 4.614 1.805 0.2234 0.2893 -0.8186 + 40THR HB 613 3.840 4.721 1.824 -0.2172 0.5722 -2.1225 + 40THR CG2 614 3.916 4.542 1.917 -0.0087 0.5649 -0.1191 + 40THR HG21 615 3.908 4.433 1.917 -2.3738 0.6806 0.0817 + 40THR HG22 616 4.021 4.572 1.910 0.9206 -1.7588 2.3417 + 40THR HG23 617 3.876 4.570 2.014 1.8339 2.6175 0.1360 + 40THR OG1 618 3.894 4.587 1.681 0.2146 -0.1904 -0.4196 + 40THR HG1 619 3.941 4.666 1.653 0.2301 -1.0170 -2.9705 + 40THR C 620 3.622 4.657 1.680 -0.0086 -0.5488 -0.9437 + 40THR O 621 3.577 4.773 1.704 -0.1296 0.4685 0.7241 + 41GLN N 622 3.606 4.598 1.562 0.3457 -0.0935 -0.3138 + 41GLN H 623 3.625 4.500 1.550 -0.5187 -0.6050 1.9524 + 41GLN CA 624 3.569 4.684 1.450 0.9655 0.0176 0.7032 + 41GLN HA 625 3.598 4.788 1.465 -1.4180 0.9079 -0.4346 + 41GLN CB 626 3.636 4.626 1.326 0.3030 -0.0019 0.3981 + 41GLN HB1 627 3.581 4.656 1.237 1.3569 -0.9495 -0.5986 + 41GLN HB2 628 3.634 4.518 1.316 4.1581 -0.0504 -2.4519 + 41GLN CG 629 3.783 4.671 1.310 0.3599 -0.1543 0.0746 + 41GLN HG1 630 3.828 4.607 1.233 -2.1565 -1.2210 -0.6088 + 41GLN HG2 631 3.832 4.650 1.405 0.9383 -0.2132 -0.2316 + 41GLN CD 632 3.806 4.815 1.261 -0.3628 0.7229 -0.0811 + 41GLN OE1 633 3.764 4.848 1.157 0.2632 0.3614 -0.1758 + 41GLN NE2 634 3.857 4.908 1.336 -0.7126 0.5752 0.3722 + 41GLN HE21 635 3.883 4.884 1.430 0.1622 1.4763 0.3742 + 41GLN HE22 636 3.863 4.999 1.293 -1.4678 -0.0158 -1.0584 + 41GLN C 637 3.414 4.691 1.440 0.6447 0.3491 0.2140 + 41GLN O 638 3.370 4.765 1.353 0.1928 -0.3091 0.3493 + 42ALA N 639 3.337 4.618 1.522 -0.4944 -0.3294 -0.5547 + 42ALA H 640 3.376 4.555 1.590 0.5777 -0.8865 -1.6474 + 42ALA CA 641 3.189 4.623 1.511 0.5419 -0.3854 0.1306 + 42ALA HA 642 3.177 4.608 1.403 -1.3654 2.8854 -0.2657 + 42ALA CB 643 3.122 4.507 1.591 -0.3317 -0.0834 0.6004 + 42ALA HB1 644 3.017 4.510 1.561 -0.7917 1.0176 2.1686 + 42ALA HB2 645 3.174 4.418 1.557 -0.2646 0.4868 -0.8525 + 42ALA HB3 646 3.130 4.526 1.698 0.2669 -1.6567 0.8637 + 42ALA C 647 3.126 4.758 1.540 0.7397 0.0228 -1.0633 + 42ALA O 648 3.171 4.833 1.632 0.0470 -0.5449 -0.5255 + 43THR N 649 3.015 4.786 1.473 0.3034 -0.1133 0.1905 + 43THR H 650 2.974 4.710 1.421 0.6237 -0.2011 0.0606 + 43THR CA 651 2.935 4.906 1.494 -0.2672 -0.3897 -0.3314 + 43THR HA 652 2.947 4.929 1.600 3.5104 -1.6762 -0.3315 + 43THR CB 653 2.976 5.033 1.415 -0.8779 0.0898 -0.2261 + 43THR HB 654 2.911 5.120 1.414 0.8350 1.4148 0.2458 + 43THR CG2 655 3.111 5.089 1.471 0.1318 0.3641 0.9973 + 43THR HG21 656 3.142 5.170 1.405 -0.8155 -0.7020 -0.8428 + 43THR HG22 657 3.093 5.129 1.571 -1.3300 -0.6524 1.1777 + 43THR HG23 658 3.189 5.014 1.475 -0.8683 -1.1611 -3.3036 + 43THR OG1 659 3.016 4.995 1.284 -0.2436 0.2781 0.1492 + 43THR HG1 660 3.014 5.077 1.233 -0.7488 0.2460 0.1123 + 43THR C 661 2.790 4.868 1.472 -0.3080 0.0278 0.2696 + 43THR O 662 2.758 4.789 1.381 -0.0697 -0.3163 0.3639 + 44ASN N 663 2.704 4.922 1.557 -0.1331 -0.3051 -0.0445 + 44ASN H 664 2.744 4.982 1.628 1.2761 -1.8947 0.5738 + 44ASN CA 665 2.560 4.895 1.566 -0.7067 0.4745 -0.0806 + 44ASN HA 666 2.536 4.841 1.475 1.5588 -0.2263 -0.3432 + 44ASN CB 667 2.523 4.803 1.681 -0.0171 -0.5200 0.5111 + 44ASN HB1 668 2.570 4.850 1.767 -0.3326 -0.3480 0.5905 + 44ASN HB2 669 2.567 4.705 1.660 0.4376 -0.5073 1.3512 + 44ASN CG 670 2.376 4.785 1.701 -0.3292 -0.0449 0.3691 + 44ASN OD1 671 2.304 4.727 1.616 -0.4828 -0.2463 0.2869 + 44ASN ND2 672 2.326 4.842 1.801 0.0048 -0.2424 0.0043 + 44ASN HD21 673 2.377 4.896 1.871 1.4201 -0.6423 -0.6773 + 44ASN HD22 674 2.227 4.835 1.816 -0.0661 -1.0008 -0.7596 + 44ASN C 675 2.480 5.024 1.562 0.0713 0.2135 -0.3067 + 44ASN O 676 2.494 5.104 1.655 0.2861 0.3286 0.0452 + 45ARG N 677 2.382 5.033 1.470 -0.1139 -0.8115 -0.5754 + 45ARG H 678 2.373 4.966 1.395 -1.2388 -0.1545 -1.0454 + 45ARG CA 679 2.295 5.156 1.468 -0.4048 -0.2740 0.2161 + 45ARG HA 680 2.353 5.240 1.507 -0.2208 -0.0878 -0.4616 + 45ARG CB 681 2.241 5.187 1.322 0.2923 -0.2269 -1.6911 + 45ARG HB1 682 2.172 5.103 1.309 2.2904 -3.0717 3.2873 + 45ARG HB2 683 2.324 5.182 1.252 -0.2169 -1.0686 -2.2529 + 45ARG CG 684 2.158 5.319 1.307 -0.0713 0.6334 -0.5827 + 45ARG HG1 685 2.081 5.327 1.384 1.1288 1.1889 0.6086 + 45ARG HG2 686 2.099 5.322 1.216 0.1962 1.3603 -0.7442 + 45ARG CD 687 2.251 5.438 1.312 -0.0559 -0.6800 -0.6743 + 45ARG HD1 688 2.335 5.413 1.377 -0.9732 -2.3280 -0.0616 + 45ARG HD2 689 2.205 5.522 1.364 -0.3627 -1.1274 -0.2150 + 45ARG NE 690 2.298 5.465 1.181 0.2332 0.1222 -0.1998 + 45ARG HE 691 2.357 5.394 1.140 -2.0161 -1.8807 -0.1482 + 45ARG CZ 692 2.245 5.556 1.103 0.1445 -1.0885 0.5002 + 45ARG NH1 693 2.150 5.634 1.143 0.3039 -0.4370 0.0175 + 45ARG HH11 694 2.116 5.622 1.237 3.3637 -1.8268 1.1009 + 45ARG HH12 695 2.108 5.701 1.080 -0.0694 1.3195 2.0351 + 45ARG NH2 696 2.286 5.579 0.983 0.5857 0.3644 -0.2837 + 45ARG HH21 697 2.365 5.529 0.945 -0.5236 -0.6285 -1.3381 + 45ARG HH22 698 2.237 5.645 0.925 -2.2917 0.3381 1.8921 + 45ARG C 699 2.177 5.154 1.570 -0.2755 -0.6290 0.3142 + 45ARG O 700 2.098 5.061 1.570 -0.7518 -0.4128 0.1673 + 46ASN N 701 2.155 5.262 1.643 -0.2137 0.3391 0.0138 + 46ASN H 702 2.225 5.334 1.643 -0.3222 0.4828 -2.0096 + 46ASN CA 703 2.045 5.274 1.739 -0.5381 -0.1412 -0.3181 + 46ASN HA 704 1.999 5.176 1.750 -0.2901 -0.2904 -0.6012 + 46ASN CB 705 2.089 5.320 1.876 -0.0053 -0.2190 -0.2440 + 46ASN HB1 706 2.015 5.312 1.955 0.8243 2.6451 0.9507 + 46ASN HB2 707 2.130 5.420 1.869 2.3454 -1.1343 -0.5916 + 46ASN CG 708 2.202 5.233 1.931 0.7449 -0.9768 0.7799 + 46ASN OD1 709 2.321 5.256 1.908 -0.5380 0.3441 -0.0593 + 46ASN ND2 710 2.171 5.115 1.977 -0.1401 -0.4364 -0.2288 + 46ASN HD21 711 2.080 5.073 1.982 0.2875 -1.4074 -0.4347 + 46ASN HD22 712 2.249 5.060 2.012 -0.8994 0.9237 4.2560 + 46ASN C 713 1.936 5.369 1.685 -0.3785 -0.1362 1.2998 + 46ASN O 714 1.960 5.470 1.616 -0.1020 0.0190 0.5138 + 47THR N 715 1.809 5.336 1.711 -0.2636 -0.4336 0.0840 + 47THR H 716 1.793 5.257 1.771 0.3832 -0.6566 -0.0299 + 47THR CA 717 1.684 5.406 1.665 -0.2448 0.1982 0.4207 + 47THR HA 718 1.684 5.412 1.556 -0.0389 1.1876 0.4657 + 47THR CB 719 1.553 5.325 1.710 0.3784 -0.4009 0.3488 + 47THR HB 720 1.465 5.380 1.676 -0.1544 0.6280 3.1170 + 47THR CG2 721 1.553 5.177 1.672 -0.0839 0.3572 -0.3517 + 47THR HG21 722 1.571 5.181 1.565 0.8794 -0.7916 -0.2586 + 47THR HG22 723 1.631 5.121 1.724 -1.0664 -0.9845 -0.2574 + 47THR HG23 724 1.454 5.137 1.693 0.4882 -1.0425 -0.1787 + 47THR OG1 725 1.538 5.324 1.852 -0.3899 -0.0040 0.1320 + 47THR HG1 726 1.459 5.273 1.867 -0.8962 0.9294 0.7116 + 47THR C 727 1.679 5.554 1.714 0.0520 0.2259 0.0683 + 47THR O 728 1.620 5.638 1.645 -0.1829 -0.7079 -0.4837 + 48ASP N 729 1.748 5.588 1.822 -0.1423 -0.7768 0.6275 + 48ASP H 730 1.799 5.508 1.858 0.6038 -0.5389 0.1312 + 48ASP CA 731 1.768 5.723 1.873 0.1356 0.4043 -0.3114 + 48ASP HA 732 1.675 5.774 1.849 -1.2450 -1.9494 -0.1915 + 48ASP CB 733 1.773 5.715 2.022 -0.4656 0.2642 -0.1348 + 48ASP HB1 734 1.692 5.648 2.050 -0.8408 -0.6468 -3.0765 + 48ASP HB2 735 1.768 5.817 2.058 2.7649 1.0317 -1.5562 + 48ASP CG 736 1.909 5.672 2.079 0.6627 0.7007 0.3229 + 48ASP OD1 737 1.991 5.616 2.003 0.1770 0.1609 0.0396 + 48ASP OD2 738 1.926 5.676 2.204 0.1548 -0.3782 0.8339 + 48ASP C 739 1.868 5.810 1.800 0.0301 0.0878 0.3311 + 48ASP O 740 1.901 5.921 1.835 0.2728 -0.0779 -0.2822 + 49GLY N 741 1.916 5.759 1.686 -0.5337 0.1560 -0.2504 + 49GLY H 742 1.884 5.667 1.658 1.8866 -0.2853 -1.9501 + 49GLY CA 743 2.022 5.825 1.605 0.6682 -0.0066 -0.5337 + 49GLY HA1 744 1.998 5.931 1.603 0.7480 0.0678 1.1033 + 49GLY HA2 745 2.006 5.798 1.501 -1.7322 -0.1897 -0.1740 + 49GLY C 746 2.163 5.808 1.656 0.2312 -0.8255 0.0525 + 49GLY O 747 2.253 5.876 1.604 0.1059 0.2182 -0.0262 + 50SER N 748 2.177 5.729 1.764 0.1286 -0.2378 -0.0297 + 50SER H 749 2.093 5.689 1.804 0.2721 1.2052 1.8744 + 50SER CA 750 2.307 5.696 1.820 0.1313 0.4500 -0.5082 + 50SER HA 751 2.375 5.778 1.796 -0.7213 1.6967 1.1094 + 50SER CB 752 2.300 5.694 1.973 0.3798 0.2167 0.1812 + 50SER HB1 753 2.245 5.779 2.013 0.0612 0.1177 -0.0378 + 50SER HB2 754 2.405 5.705 2.000 0.3637 -0.1247 0.3980 + 50SER OG 755 2.243 5.573 2.018 -0.8792 0.1199 0.3825 + 50SER HG 756 2.149 5.582 1.999 -0.2654 2.6576 -2.2372 + 50SER C 757 2.373 5.578 1.750 0.3826 0.1645 -0.0206 + 50SER O 758 2.321 5.527 1.650 0.2363 -0.1036 0.5075 + 51THR N 759 2.491 5.536 1.789 -0.0755 0.7448 -0.4110 + 51THR H 760 2.536 5.579 1.869 -0.7048 -1.3779 1.1648 + 51THR CA 761 2.555 5.414 1.743 -0.3529 -0.0544 -0.2540 + 51THR HA 762 2.474 5.342 1.736 0.4390 -1.0568 0.5414 + 51THR CB 763 2.621 5.440 1.612 0.0932 -0.0909 0.9121 + 51THR HB 764 2.658 5.542 1.623 -0.8179 0.3213 0.3522 + 51THR CG2 765 2.730 5.351 1.575 0.7087 0.6052 -0.7788 + 51THR HG21 766 2.807 5.374 1.649 -2.1467 -0.2077 2.7354 + 51THR HG22 767 2.696 5.248 1.588 0.9518 0.8523 2.8283 + 51THR HG23 768 2.757 5.367 1.471 0.3112 0.4993 -0.9010 + 51THR OG1 769 2.528 5.433 1.501 0.0528 -0.5857 0.1178 + 51THR HG1 770 2.445 5.461 1.540 -2.4510 -4.3733 -1.8728 + 51THR C 771 2.649 5.356 1.850 -0.4026 -0.4007 0.3573 + 51THR O 772 2.701 5.438 1.927 -0.1529 0.8320 -0.1077 + 52ASP N 773 2.651 5.228 1.868 -0.4587 -0.2084 -0.3696 + 52ASP H 774 2.595 5.174 1.804 -0.9395 -1.6106 1.1467 + 52ASP CA 775 2.741 5.147 1.952 -0.0710 0.4909 -0.4458 + 52ASP HA 776 2.755 5.213 2.038 0.1204 0.3644 -0.3788 + 52ASP CB 777 2.674 5.016 1.999 0.2021 -0.0086 -0.0721 + 52ASP HB1 778 2.723 4.967 2.083 -2.2361 -0.1960 1.3513 + 52ASP HB2 779 2.670 4.948 1.914 0.7058 -0.4985 0.2876 + 52ASP CG 780 2.535 5.028 2.055 0.1942 -0.3133 -0.5726 + 52ASP OD1 781 2.518 5.109 2.146 -0.0293 0.2273 -0.6037 + 52ASP OD2 782 2.446 4.951 2.017 -0.4912 0.1409 0.1614 + 52ASP C 783 2.877 5.124 1.877 0.6143 0.8440 -0.1220 + 52ASP O 784 2.875 5.084 1.762 0.3479 0.0840 -0.2381 + 53TYR N 785 2.991 5.129 1.948 -0.0435 0.0819 0.0029 + 53TYR H 786 2.988 5.182 2.034 2.1077 -1.0321 0.8395 + 53TYR CA 787 3.128 5.115 1.898 0.5161 1.3056 0.3582 + 53TYR HA 788 3.121 5.082 1.794 -1.4147 2.5209 0.0499 + 53TYR CB 789 3.204 5.248 1.897 0.6493 0.6784 -0.2503 + 53TYR HB1 790 3.302 5.234 1.852 1.7789 -1.6427 2.5647 + 53TYR HB2 791 3.218 5.281 2.000 -0.6286 -0.0795 0.1907 + 53TYR CG 792 3.133 5.351 1.809 -0.0709 0.0799 -0.4497 + 53TYR CD1 793 3.186 5.376 1.681 0.4007 0.2191 -0.3848 + 53TYR HD1 794 3.271 5.322 1.643 1.4888 1.8956 -0.4309 + 53TYR CE1 795 3.131 5.480 1.602 -0.1262 -0.2071 -0.4686 + 53TYR HE1 796 3.171 5.509 1.505 2.1874 2.6551 1.1793 + 53TYR CZ 797 3.022 5.553 1.647 -0.3042 -0.8223 0.1309 + 53TYR OH 798 2.976 5.659 1.574 -0.1770 -0.4816 -0.3742 + 53TYR HH 799 2.902 5.699 1.620 -0.2150 -0.2657 -0.6199 + 53TYR CE2 800 2.963 5.519 1.775 0.3281 -0.3893 0.2726 + 53TYR HE2 801 2.877 5.576 1.807 0.0298 0.5671 -2.0509 + 53TYR CD2 802 3.025 5.422 1.858 -0.0510 -0.0390 -0.6434 + 53TYR HD2 803 2.988 5.395 1.956 -1.1896 -1.6827 -1.4733 + 53TYR C 804 3.209 5.014 1.979 -0.0187 0.2558 0.5718 + 53TYR O 805 3.206 5.024 2.101 -0.5860 -0.4747 0.1253 + 54GLY N 806 3.288 4.925 1.920 0.8345 -0.3237 -0.0197 + 54GLY H 807 3.282 4.921 1.819 1.1698 1.1376 -0.1206 + 54GLY CA 808 3.398 4.858 1.989 0.0177 -0.1606 0.1213 + 54GLY HA1 809 3.459 4.917 2.058 1.8208 -0.4463 -1.1505 + 54GLY HA2 810 3.470 4.844 1.909 1.6773 1.0368 1.3220 + 54GLY C 811 3.379 4.722 2.057 -0.2543 0.1704 0.6364 + 54GLY O 812 3.268 4.670 2.048 0.7204 0.3639 -0.4014 + 55ILE N 813 3.480 4.661 2.111 0.5389 -0.7239 -0.1367 + 55ILE H 814 3.569 4.694 2.078 -0.1268 -0.7573 -2.0857 + 55ILE CA 815 3.468 4.528 2.171 0.0538 -0.0911 -0.2958 + 55ILE HA 816 3.404 4.469 2.105 -0.3879 0.3703 -0.2883 + 55ILE CB 817 3.606 4.460 2.168 -0.1537 0.5011 0.1843 + 55ILE HB 818 3.638 4.464 2.064 -0.7397 -0.4139 -0.0483 + 55ILE CG2 819 3.706 4.536 2.253 0.6946 0.1385 0.4335 + 55ILE HG21 820 3.727 4.629 2.200 0.5479 -1.5571 -2.8585 + 55ILE HG22 821 3.656 4.562 2.347 0.9812 1.2396 0.3003 + 55ILE HG23 822 3.799 4.484 2.275 2.0512 2.0238 -0.5529 + 55ILE CG1 823 3.624 4.304 2.202 -0.2582 0.2457 -0.2396 + 55ILE HG11 824 3.529 4.252 2.189 -0.1780 0.3209 -1.2089 + 55ILE HG12 825 3.633 4.291 2.310 -0.0322 1.0614 -0.1557 + 55ILE CD 826 3.742 4.237 2.129 -0.2681 0.0640 -0.2177 + 55ILE HD1 827 3.838 4.274 2.164 -0.1736 -0.5488 0.1686 + 55ILE HD2 828 3.732 4.131 2.149 -3.9901 0.1724 -0.6955 + 55ILE HD3 829 3.738 4.255 2.021 0.3795 0.2400 -0.2146 + 55ILE C 830 3.391 4.512 2.298 -0.4623 -0.8754 0.0884 + 55ILE O 831 3.378 4.407 2.351 -0.1284 -0.2707 -0.1715 + 56LEU N 832 3.339 4.624 2.352 0.5608 0.3935 0.0301 + 56LEU H 833 3.367 4.715 2.318 -1.5326 2.3272 2.9819 + 56LEU CA 834 3.242 4.637 2.459 0.7147 -0.3298 -0.3039 + 56LEU HA 835 3.213 4.538 2.494 3.3046 -1.4299 -1.0476 + 56LEU CB 836 3.300 4.713 2.581 -0.0132 0.2106 0.2167 + 56LEU HB1 837 3.227 4.740 2.658 1.1164 1.6174 0.8420 + 56LEU HB2 838 3.342 4.810 2.552 0.5578 0.4748 1.8518 + 56LEU CG 839 3.403 4.627 2.660 0.3568 -0.4908 0.9760 + 56LEU HG 840 3.484 4.602 2.591 0.4304 0.3328 0.7561 + 56LEU CD1 841 3.454 4.709 2.776 -0.0167 0.0483 0.7387 + 56LEU HD11 842 3.538 4.667 2.831 -1.1542 0.2162 2.7215 + 56LEU HD12 843 3.478 4.806 2.732 -0.0139 0.9519 2.6128 + 56LEU HD13 844 3.374 4.727 2.848 0.2562 1.5658 0.6907 + 56LEU CD2 845 3.343 4.504 2.726 0.6056 -0.0029 0.5761 + 56LEU HD21 846 3.239 4.513 2.756 -0.3071 -0.9585 -1.9979 + 56LEU HD22 847 3.335 4.433 2.644 -0.4348 -0.9153 1.4345 + 56LEU HD23 848 3.405 4.460 2.803 1.2975 0.7387 0.4606 + 56LEU C 849 3.113 4.701 2.416 -0.0847 0.3814 -0.0062 + 56LEU O 850 3.028 4.735 2.501 0.1269 0.1290 0.2210 + 57GLN N 851 3.101 4.734 2.284 0.7006 -0.6861 -0.3324 + 57GLN H 852 3.179 4.724 2.222 -0.2267 -0.4109 -1.5771 + 57GLN CA 853 2.992 4.816 2.233 -0.6482 -0.1696 0.1798 + 57GLN HA 854 3.038 4.855 2.142 1.7508 -1.9515 0.5281 + 57GLN CB 855 2.870 4.734 2.192 0.2846 0.2852 0.5038 + 57GLN HB1 856 2.788 4.796 2.156 -1.4517 -2.9379 -1.5369 + 57GLN HB2 857 2.837 4.696 2.288 -1.7226 2.8380 0.9371 + 57GLN CG 858 2.898 4.632 2.081 0.3768 0.2812 -0.2485 + 57GLN HG1 859 2.818 4.558 2.075 -0.7556 1.4778 -0.4485 + 57GLN HG2 860 2.991 4.577 2.094 -0.5902 -1.0700 1.4485 + 57GLN CD 861 2.896 4.701 1.942 0.0638 0.1892 0.0602 + 57GLN OE1 862 2.799 4.725 1.880 0.1763 -0.0436 -0.8083 + 57GLN NE2 863 3.018 4.719 1.890 0.6092 -0.1594 0.2704 + 57GLN HE21 864 3.101 4.696 1.943 0.2869 -0.9603 0.4468 + 57GLN HE22 865 3.014 4.776 1.806 -0.2752 -2.6447 -1.4923 + 57GLN C 866 2.948 4.931 2.322 -0.6775 -0.4051 -0.1970 + 57GLN O 867 2.837 4.927 2.376 -0.0380 -0.2874 -0.4494 + 58ILE N 868 3.031 5.035 2.336 0.3988 -0.2471 0.1779 + 58ILE H 869 3.109 5.030 2.272 0.7728 1.5445 0.4424 + 58ILE CA 870 3.018 5.161 2.403 0.1953 -0.1636 0.4880 + 58ILE HA 871 2.954 5.140 2.488 -0.8870 -2.5571 -0.8152 + 58ILE CB 872 3.147 5.209 2.454 -0.8758 0.1725 -0.4547 + 58ILE HB 873 3.220 5.206 2.373 0.1874 0.2239 0.4762 + 58ILE CG2 874 3.140 5.350 2.514 0.2771 -0.0658 0.1099 + 58ILE HG21 875 3.238 5.370 2.557 0.7518 -3.0333 0.6234 + 58ILE HG22 876 3.118 5.415 2.429 0.6457 1.2638 0.9995 + 58ILE HG23 877 3.062 5.357 2.589 -1.9184 0.4577 -2.0995 + 58ILE CG1 878 3.205 5.110 2.557 0.0767 0.9276 0.3769 + 58ILE HG11 879 3.207 5.007 2.520 1.6538 1.2400 -0.5240 + 58ILE HG12 880 3.147 5.112 2.649 0.3499 -0.4432 0.6033 + 58ILE CD 881 3.353 5.132 2.592 -0.4690 -0.7096 -0.3451 + 58ILE HD1 882 3.382 5.069 2.676 -1.0110 -2.8350 -1.6775 + 58ILE HD2 883 3.414 5.108 2.505 3.1142 1.8910 1.2095 + 58ILE HD3 884 3.376 5.233 2.626 -0.6953 -0.6522 -0.3614 + 58ILE C 885 2.933 5.254 2.307 -0.8764 0.2278 -0.1845 + 58ILE O 886 2.970 5.260 2.190 0.0336 0.8161 0.6161 + 59ASN N 887 2.837 5.332 2.354 0.0768 -0.1602 0.1926 + 59ASN H 888 2.816 5.311 2.450 0.3544 -1.6531 -0.0355 + 59ASN CA 889 2.739 5.415 2.269 -0.1585 -0.3328 0.1129 + 59ASN HA 890 2.742 5.369 2.170 -1.3142 -2.0337 0.8235 + 59ASN CB 891 2.604 5.381 2.327 0.7132 -0.6467 0.2811 + 59ASN HB1 892 2.597 5.412 2.431 1.1519 -1.8350 0.6941 + 59ASN HB2 893 2.587 5.273 2.319 0.8584 -0.6323 -0.3063 + 59ASN CG 894 2.490 5.450 2.246 0.3495 -0.6900 -0.6127 + 59ASN OD1 895 2.445 5.561 2.276 0.3047 -0.1470 0.0775 + 59ASN ND2 896 2.440 5.389 2.137 0.2453 -0.3929 0.1776 + 59ASN HD21 897 2.468 5.293 2.124 -0.4859 -0.4679 -1.0098 + 59ASN HD22 898 2.383 5.449 2.079 0.3490 -0.2136 0.2580 + 59ASN C 899 2.758 5.577 2.267 -0.5632 -0.2846 -0.3306 + 59ASN O 900 2.778 5.642 2.375 -0.4703 0.1753 0.5212 + 60SER N 901 2.752 5.638 2.146 0.5419 -0.1941 -0.3983 + 60SER H 902 2.725 5.591 2.061 1.6399 0.4279 -1.1188 + 60SER CA 903 2.779 5.778 2.118 -0.0962 0.1640 -0.2436 + 60SER HA 904 2.876 5.801 2.162 0.8409 -0.5591 -1.8516 + 60SER CB 905 2.797 5.800 1.970 -0.0279 -0.1996 0.2973 + 60SER HB1 906 2.888 5.755 1.930 0.2308 1.3455 -0.9476 + 60SER HB2 907 2.816 5.907 1.960 0.8350 -0.1610 2.0894 + 60SER OG 908 2.686 5.755 1.893 -0.1092 -0.1148 -0.1410 + 60SER HG 909 2.698 5.786 1.803 -0.5754 -0.4397 -0.3195 + 60SER C 910 2.680 5.877 2.175 0.1316 0.6318 0.5269 + 60SER O 911 2.694 5.992 2.148 -0.1610 0.2857 0.3803 + 61ARG N 912 2.577 5.836 2.250 0.3116 -0.3251 0.5757 + 61ARG H 913 2.571 5.737 2.267 1.2289 -1.0019 -2.3404 + 61ARG CA 914 2.491 5.934 2.324 -0.5339 -0.4199 -0.6996 + 61ARG HA 915 2.494 6.029 2.270 -1.6695 -0.2615 -0.5047 + 61ARG CB 916 2.344 5.877 2.323 -0.0014 0.0601 -0.9322 + 61ARG HB1 917 2.348 5.778 2.370 0.8252 0.7950 0.6059 + 61ARG HB2 918 2.306 5.853 2.224 -0.9619 1.0043 -0.8018 + 61ARG CG 919 2.244 5.970 2.391 -0.0452 0.2774 0.4799 + 61ARG HG1 920 2.241 6.069 2.345 1.0217 0.9682 1.8367 + 61ARG HG2 921 2.272 5.985 2.495 0.8454 -2.1920 0.6561 + 61ARG CD 922 2.099 5.915 2.366 0.2396 -0.0678 0.2617 + 61ARG HD1 923 2.084 5.820 2.416 -3.1369 -0.3239 -0.9610 + 61ARG HD2 924 2.072 5.895 2.262 -1.2608 0.1228 0.5928 + 61ARG NE 925 1.995 6.009 2.415 -0.7951 0.1962 -0.0177 + 61ARG HE 926 2.024 6.090 2.469 0.0053 -0.2077 0.1588 + 61ARG CZ 927 1.870 5.977 2.427 0.4345 -0.4983 0.3117 + 61ARG NH1 928 1.823 5.868 2.380 0.1851 0.3090 -0.5988 + 61ARG HH11 929 1.874 5.797 2.331 0.1607 -1.0878 1.2595 + 61ARG HH12 930 1.722 5.870 2.371 -0.2764 -1.8080 2.3956 + 61ARG NH2 931 1.799 6.071 2.479 0.0722 0.3042 -0.1133 + 61ARG HH21 932 1.835 6.156 2.519 1.6929 0.4526 -1.7439 + 61ARG HH22 933 1.706 6.044 2.506 0.7041 -0.7532 1.0675 + 61ARG C 934 2.532 5.970 2.467 -0.6930 1.1870 0.3483 + 61ARG O 935 2.499 6.075 2.520 0.8377 0.4026 -0.5825 + 62TRP N 936 2.603 5.883 2.536 -0.3726 0.1581 0.1817 + 62TRP H 937 2.635 5.799 2.490 1.0534 0.3647 0.7513 + 62TRP CA 938 2.631 5.890 2.679 -0.2904 0.7088 -0.2308 + 62TRP HA 939 2.580 5.978 2.719 0.0370 1.4858 -1.4601 + 62TRP CB 940 2.569 5.767 2.743 1.2098 0.2333 0.1544 + 62TRP HB1 941 2.589 5.776 2.850 0.2307 1.5254 0.2501 + 62TRP HB2 942 2.606 5.674 2.700 1.1715 0.1996 0.1944 + 62TRP CG 943 2.416 5.759 2.735 -0.5154 0.4523 -0.7033 + 62TRP CD1 944 2.350 5.668 2.664 -0.2886 0.6111 -0.0333 + 62TRP HD1 945 2.392 5.580 2.619 0.5035 -0.9564 3.4227 + 62TRP NE1 946 2.213 5.702 2.664 0.3455 -0.3129 0.0233 + 62TRP HE1 947 2.149 5.669 2.593 2.2592 -1.3439 -1.3131 + 62TRP CE2 948 2.189 5.821 2.725 -0.0145 -0.1336 -0.7308 + 62TRP CZ2 949 2.079 5.910 2.742 0.0517 -0.0688 -1.3577 + 62TRP HZ2 950 1.988 5.886 2.689 0.2905 -1.4869 -1.1574 + 62TRP CH2 951 2.095 6.031 2.818 0.1386 0.7448 -0.1811 + 62TRP HH2 952 2.007 6.092 2.831 -1.1471 -1.0935 0.2104 + 62TRP CZ3 953 2.216 6.055 2.877 0.2679 0.0199 0.3805 + 62TRP HZ3 954 2.228 6.135 2.949 0.7390 0.8609 -0.6097 + 62TRP CE3 955 2.327 5.967 2.861 0.1167 0.6009 -0.1592 + 62TRP HE3 956 2.424 5.995 2.902 1.3562 0.2296 -2.6539 + 62TRP CD2 957 2.313 5.852 2.788 -0.1741 -0.1350 -0.0852 + 62TRP C 958 2.785 5.904 2.704 -0.3545 0.5793 0.4805 + 62TRP O 959 2.820 5.990 2.774 -0.1902 0.6288 -0.4470 + 63TRP N 960 2.869 5.826 2.630 0.0392 0.2277 0.4522 + 63TRP H 961 2.833 5.765 2.557 -0.3892 -1.2325 1.8152 + 63TRP CA 962 3.010 5.798 2.674 -0.3201 -0.1275 -0.1600 + 63TRP HA 963 3.029 5.827 2.778 1.9627 2.5380 -1.1989 + 63TRP CB 964 3.023 5.644 2.679 0.1279 -0.0186 -0.3013 + 63TRP HB1 965 3.121 5.619 2.719 -0.2716 0.1185 0.7929 + 63TRP HB2 966 3.026 5.601 2.579 0.7960 0.3834 -0.4607 + 63TRP CG 967 2.922 5.587 2.769 -0.2073 0.1349 -0.3677 + 63TRP CD1 968 2.820 5.514 2.729 0.1226 -0.0007 -0.9429 + 63TRP HD1 969 2.800 5.469 2.633 -0.5128 0.5980 -1.1032 + 63TRP NE1 970 2.733 5.492 2.841 -0.9191 -0.0632 0.5077 + 63TRP HE1 971 2.662 5.420 2.842 0.3821 -1.3823 0.5696 + 63TRP CE2 972 2.779 5.554 2.954 0.8296 0.3851 -0.3428 + 63TRP CZ2 973 2.731 5.553 3.087 -0.6148 -0.2271 -0.5665 + 63TRP HZ2 974 2.642 5.498 3.114 -0.2112 -0.0084 1.3494 + 63TRP CH2 975 2.793 5.637 3.179 0.6794 -0.3529 0.6551 + 63TRP HH2 976 2.758 5.641 3.281 -1.2167 -2.7948 0.2099 + 63TRP CZ3 977 2.907 5.709 3.141 0.3803 -0.8048 -0.2754 + 63TRP HZ3 978 2.951 5.768 3.221 1.9506 -0.2119 -1.5132 + 63TRP CE3 979 2.954 5.704 3.008 -0.3138 -0.0654 -0.2680 + 63TRP HE3 980 3.043 5.762 2.989 -0.3012 0.1233 0.3321 + 63TRP CD2 981 2.896 5.620 2.913 0.1620 -0.6553 0.4781 + 63TRP C 982 3.115 5.856 2.579 0.3838 0.1960 0.2817 + 63TRP O 983 3.193 5.940 2.632 0.2851 0.1821 0.0439 + 64CYS N 984 3.110 5.836 2.448 -0.3789 -0.0235 0.8107 + 64CYS H 985 3.027 5.794 2.407 -1.8770 1.5866 2.0612 + 64CYS CA 986 3.201 5.899 2.347 -0.0081 0.3435 -0.3701 + 64CYS HA 987 3.284 5.957 2.389 0.0637 0.5571 -0.7946 + 64CYS CB 988 3.271 5.789 2.267 -0.0579 0.2460 -0.1713 + 64CYS HB1 989 3.332 5.722 2.326 -0.3095 -0.7415 -0.9969 + 64CYS HB2 990 3.343 5.828 2.195 0.9562 -1.7000 -0.2659 + 64CYS SG 991 3.162 5.683 2.170 -0.0365 -0.0051 0.3989 + 64CYS C 992 3.124 5.997 2.261 0.2110 -1.3156 0.1797 + 64CYS O 993 3.000 6.011 2.273 -0.5542 0.5854 0.5004 + 65ASN N 994 3.198 6.073 2.183 0.0474 -0.7791 0.1552 + 65ASN H 995 3.298 6.060 2.196 0.6861 2.1230 -0.9630 + 65ASN CA 996 3.150 6.173 2.089 -0.3478 0.3275 -0.4030 + 65ASN HA 997 3.041 6.173 2.098 -0.3611 0.7867 -0.5314 + 65ASN CB 998 3.222 6.308 2.117 0.3609 0.0581 -0.1964 + 65ASN HB1 999 3.328 6.286 2.109 0.8388 1.1694 2.3853 + 65ASN HB2 1000 3.200 6.346 2.216 2.0220 -2.2971 1.1527 + 65ASN CG 1001 3.183 6.418 2.022 0.0735 -0.0603 0.3800 + 65ASN OD1 1002 3.080 6.416 1.953 0.3381 -0.1116 -0.0304 + 65ASN ND2 1003 3.265 6.523 2.024 -0.1756 -0.3329 -0.1143 + 65ASN HD21 1004 3.348 6.522 2.081 -0.8453 -1.0607 0.8868 + 65ASN HD22 1005 3.254 6.597 1.955 1.8852 -0.6959 -0.9143 + 65ASN C 1006 3.180 6.118 1.950 -0.5210 -0.6663 -0.8795 + 65ASN O 1007 3.302 6.102 1.926 -0.5314 -0.2238 -0.3628 + 66ASP N 1008 3.079 6.112 1.863 1.3992 0.0824 0.0902 + 66ASP H 1009 2.996 6.156 1.900 -0.2391 0.5251 -3.6228 + 66ASP CA 1010 3.084 6.073 1.720 0.1644 0.4422 0.4157 + 66ASP HA 1011 3.184 6.031 1.702 -1.9669 -4.5102 -1.7929 + 66ASP CB 1012 2.999 5.951 1.677 -0.6585 0.2969 -0.4085 + 66ASP HB1 1013 3.028 5.862 1.733 2.4743 2.2485 1.3175 + 66ASP HB2 1014 3.021 5.929 1.573 -2.1765 -0.7799 -0.5506 + 66ASP CG 1015 2.848 5.963 1.676 -0.8281 0.4131 -0.2723 + 66ASP OD1 1016 2.796 6.076 1.686 -0.2943 -0.4922 0.2561 + 66ASP OD2 1017 2.772 5.860 1.666 -0.4426 -0.8986 0.0868 + 66ASP C 1018 3.066 6.189 1.620 0.6856 -0.2494 -0.8390 + 66ASP O 1019 3.087 6.181 1.499 -0.3077 -0.1643 -0.0781 + 67GLY N 1020 3.019 6.307 1.677 -0.1656 1.3766 0.2204 + 67GLY H 1021 3.013 6.312 1.778 -0.8741 -2.5562 0.5205 + 67GLY CA 1022 2.984 6.426 1.602 0.6389 0.1376 -0.0424 + 67GLY HA1 1023 3.068 6.461 1.543 -1.5373 3.3528 -1.4814 + 67GLY HA2 1024 2.974 6.510 1.670 -1.1257 0.2025 -0.3291 + 67GLY C 1025 2.867 6.427 1.512 0.2977 0.8851 -0.1289 + 67GLY O 1026 2.860 6.505 1.419 0.5894 -0.4793 0.6996 + 68ARG N 1027 2.777 6.323 1.521 0.0214 -0.1559 -0.2675 + 68ARG H 1028 2.785 6.257 1.597 -1.8192 2.2214 2.2428 + 68ARG CA 1029 2.657 6.303 1.437 -0.4766 -0.9392 0.6794 + 68ARG HA 1030 2.634 6.401 1.395 -0.1258 -1.0014 0.3427 + 68ARG CB 1031 2.684 6.210 1.318 -0.5472 0.8007 0.3070 + 68ARG HB1 1032 2.738 6.256 1.236 -2.2794 -1.2840 -2.1576 + 68ARG HB2 1033 2.585 6.187 1.278 -0.2031 -0.6568 0.2383 + 68ARG CG 1034 2.744 6.080 1.361 -0.0395 0.0654 0.6742 + 68ARG HG1 1035 2.687 6.028 1.438 -0.8378 -1.0450 -0.6279 + 68ARG HG2 1036 2.840 6.104 1.407 1.2443 -1.1752 -1.1908 + 68ARG CD 1037 2.775 5.986 1.237 0.1754 -0.4105 -0.1150 + 68ARG HD1 1038 2.871 5.936 1.248 0.7086 0.3671 -1.0664 + 68ARG HD2 1039 2.784 6.039 1.143 -0.9102 -0.2666 -0.1604 + 68ARG NE 1040 2.673 5.885 1.220 0.2142 -0.2869 0.2303 + 68ARG HE 1041 2.681 5.805 1.281 3.4261 0.3834 0.8532 + 68ARG CZ 1042 2.552 5.889 1.158 -0.3999 -0.8179 -0.0241 + 68ARG NH1 1043 2.512 5.983 1.081 0.4817 0.2501 0.4465 + 68ARG HH11 1044 2.572 6.060 1.052 -0.1050 0.2382 -0.8713 + 68ARG HH12 1045 2.415 5.977 1.054 0.2778 -0.5282 1.3084 + 68ARG NH2 1046 2.468 5.795 1.176 -0.3303 0.6446 -0.0606 + 68ARG HH21 1047 2.498 5.706 1.213 -1.8834 0.7412 1.5904 + 68ARG HH22 1048 2.381 5.801 1.125 0.9337 2.5230 -2.2322 + 68ARG C 1049 2.533 6.275 1.514 -0.8976 -0.2582 0.0092 + 68ARG O 1050 2.422 6.314 1.481 -0.2784 -0.1878 -0.3797 + 69THR N 1051 2.550 6.206 1.622 -0.1427 0.4556 -0.7354 + 69THR H 1052 2.644 6.177 1.644 0.0873 1.4148 -0.3808 + 69THR CA 1053 2.438 6.176 1.716 0.0173 0.2947 0.4784 + 69THR HA 1054 2.361 6.129 1.655 0.1830 0.6466 -0.0184 + 69THR CB 1055 2.487 6.070 1.811 -0.3701 -0.1187 -0.7463 + 69THR HB 1056 2.578 6.109 1.858 0.8838 -0.3870 -2.8115 + 69THR CG2 1057 2.381 6.026 1.914 0.5217 -0.7154 0.2507 + 69THR HG21 1058 2.421 5.947 1.977 1.6662 0.0083 0.4581 + 69THR HG22 1059 2.353 6.106 1.982 0.8587 1.3952 -1.9224 + 69THR HG23 1060 2.294 5.993 1.856 -0.8658 0.6384 1.4740 + 69THR OG1 1061 2.520 5.938 1.762 0.1050 0.1544 -0.1803 + 69THR HG1 1062 2.614 5.944 1.745 0.0927 4.4948 0.1019 + 69THR C 1063 2.383 6.296 1.791 0.5824 0.1353 0.6739 + 69THR O 1064 2.465 6.360 1.857 -0.0490 0.2623 0.1134 + 70PRO N 1065 2.255 6.329 1.787 1.1657 0.3812 0.2493 + 70PRO CD 1066 2.166 6.299 1.677 -0.4195 0.0742 0.0095 + 70PRO HD1 1067 2.108 6.209 1.696 0.2295 0.0772 2.4277 + 70PRO HD2 1068 2.214 6.282 1.581 3.2230 -0.0896 1.6906 + 70PRO CG 1069 2.063 6.409 1.668 -0.0846 -0.1140 -0.4869 + 70PRO HG1 1070 1.968 6.373 1.629 1.0594 0.0225 -3.7074 + 70PRO HG2 1071 2.096 6.478 1.590 2.1394 1.2480 1.5350 + 70PRO CB 1072 2.056 6.461 1.820 -0.2342 0.7508 0.9463 + 70PRO HB1 1073 1.973 6.414 1.872 -2.0188 1.0661 -1.4479 + 70PRO HB2 1074 2.028 6.566 1.824 -2.6323 0.2014 0.2324 + 70PRO CA 1075 2.191 6.428 1.882 0.5626 0.4821 0.6669 + 70PRO HA 1076 2.245 6.522 1.875 -0.7001 1.1588 -0.6487 + 70PRO C 1077 2.189 6.385 2.027 0.9906 -0.5195 -0.2135 + 70PRO O 1078 2.169 6.263 2.063 0.1398 -0.3880 0.3969 + 71GLY N 1079 2.176 6.491 2.114 0.7928 0.5658 0.2996 + 71GLY H 1080 2.167 6.588 2.084 0.0215 1.2945 2.6662 + 71GLY CA 1081 2.164 6.472 2.252 0.3320 -0.2455 0.6184 + 71GLY HA1 1082 2.084 6.399 2.265 0.1866 0.0548 1.4860 + 71GLY HA2 1083 2.134 6.568 2.297 -1.8769 -0.1095 -0.9649 + 71GLY C 1084 2.286 6.427 2.332 -0.3936 1.0408 -0.3088 + 71GLY O 1085 2.281 6.403 2.450 -0.0022 -0.3609 -0.2156 + 72SER N 1086 2.405 6.426 2.273 -0.2988 -1.1914 -0.0912 + 72SER H 1087 2.416 6.468 2.182 -0.5166 -3.0109 -0.9929 + 72SER CA 1088 2.521 6.352 2.325 0.0967 -0.2307 -0.0208 + 72SER HA 1089 2.480 6.255 2.352 0.3235 -0.2578 0.2275 + 72SER CB 1090 2.627 6.326 2.211 -0.4186 -0.4997 -0.1206 + 72SER HB1 1091 2.672 6.423 2.191 0.0183 -0.9567 -1.4063 + 72SER HB2 1092 2.583 6.285 2.121 -1.1397 3.4799 -1.7765 + 72SER OG 1093 2.732 6.242 2.261 -0.1025 0.3208 -0.0961 + 72SER HG 1094 2.737 6.176 2.192 1.0917 -0.4208 0.6676 + 72SER C 1095 2.585 6.417 2.447 -0.0117 0.8344 0.3371 + 72SER O 1096 2.568 6.537 2.477 -0.3351 0.9980 -0.3393 + 73ARG N 1097 2.652 6.333 2.527 -0.0490 0.6709 0.0128 + 73ARG H 1098 2.651 6.235 2.503 -0.2602 0.7073 -0.1323 + 73ARG CA 1099 2.720 6.364 2.654 -0.1758 -0.4934 0.2575 + 73ARG HA 1100 2.715 6.472 2.673 -0.0978 -0.8657 2.7856 + 73ARG CB 1101 2.650 6.300 2.773 -0.3160 -0.6730 -0.1698 + 73ARG HB1 1102 2.712 6.316 2.861 0.7610 -1.6296 -0.7384 + 73ARG HB2 1103 2.656 6.192 2.763 0.9551 -0.5110 -1.6009 + 73ARG CG 1104 2.509 6.355 2.801 0.6308 0.8991 0.6790 + 73ARG HG1 1105 2.466 6.317 2.893 0.2218 0.4903 0.3285 + 73ARG HG2 1106 2.446 6.329 2.715 1.4707 1.0029 0.0255 + 73ARG CD 1107 2.510 6.509 2.813 -0.1876 0.7243 0.1383 + 73ARG HD1 1108 2.565 6.556 2.732 0.2481 -2.5324 -1.6525 + 73ARG HD2 1109 2.576 6.524 2.898 2.5525 -1.3030 -1.4837 + 73ARG NE 1110 2.373 6.559 2.830 0.0240 -0.5140 -0.6747 + 73ARG HE 1111 2.311 6.526 2.902 0.3697 3.7273 1.9412 + 73ARG CZ 1112 2.303 6.625 2.740 -0.5011 0.4201 -0.0605 + 73ARG NH1 1113 2.351 6.657 2.629 -0.1958 -0.2984 -0.4713 + 73ARG HH11 1114 2.447 6.631 2.617 0.8763 -0.2358 5.0845 + 73ARG HH12 1115 2.295 6.698 2.555 -0.7405 0.2403 0.2163 + 73ARG NH2 1116 2.188 6.657 2.774 0.1103 0.4976 0.1609 + 73ARG HH21 1117 2.185 6.676 2.873 3.4231 0.5379 0.3646 + 73ARG HH22 1118 2.137 6.722 2.716 -3.8271 -1.2360 1.2942 + 73ARG C 1119 2.872 6.340 2.663 -0.3618 0.1230 -0.4342 + 73ARG O 1120 2.938 6.400 2.753 0.5198 -0.0088 0.1100 + 74ASN N 1121 2.930 6.252 2.581 0.5489 -0.5637 0.2114 + 74ASN H 1122 2.880 6.219 2.499 2.8159 0.1130 -1.5570 + 74ASN CA 1123 3.072 6.225 2.584 -0.7886 -0.7409 0.0474 + 74ASN HA 1124 3.084 6.128 2.535 -0.9523 0.1503 -1.8489 + 74ASN CB 1125 3.145 6.332 2.493 -0.0214 0.1027 0.4099 + 74ASN HB1 1126 3.136 6.429 2.543 1.5360 -0.4027 1.7710 + 74ASN HB2 1127 3.088 6.348 2.401 -0.7238 2.6741 1.1990 + 74ASN CG 1128 3.288 6.305 2.458 -0.3080 -0.9189 -0.2618 + 74ASN OD1 1129 3.343 6.200 2.484 -0.1104 -0.5789 0.8251 + 74ASN ND2 1130 3.361 6.397 2.393 -0.2086 0.2963 -0.3036 + 74ASN HD21 1131 3.315 6.487 2.385 -0.3256 0.0572 -3.7554 + 74ASN HD22 1132 3.452 6.384 2.352 0.2431 1.1298 0.4220 + 74ASN C 1133 3.138 6.211 2.721 -1.2104 0.3083 -0.0878 + 74ASN O 1134 3.240 6.278 2.742 -0.9661 0.0551 0.2160 + 75LEU N 1135 3.077 6.134 2.812 0.2866 0.1483 -0.6169 + 75LEU H 1136 2.984 6.101 2.788 -1.1480 0.5942 3.5538 + 75LEU CA 1137 3.120 6.125 2.956 0.1392 -0.3809 -0.0410 + 75LEU HA 1138 3.139 6.229 2.981 2.4628 -0.1303 -2.3247 + 75LEU CB 1139 3.012 6.063 3.043 -0.1276 -0.4860 -0.3237 + 75LEU HB1 1140 3.051 6.023 3.136 -1.3104 -0.5723 0.1529 + 75LEU HB2 1141 2.970 5.983 2.982 -2.4394 1.3616 -1.3566 + 75LEU CG 1142 2.895 6.156 3.077 0.0640 0.5308 1.0845 + 75LEU HG 1143 2.867 6.189 2.978 1.5841 -2.4933 -0.5004 + 75LEU CD1 1144 2.786 6.058 3.114 -0.1182 -0.8439 -0.1145 + 75LEU HD11 1145 2.803 6.000 3.205 -1.4876 0.2026 0.8450 + 75LEU HD12 1146 2.707 6.122 3.154 1.5810 0.4310 1.3757 + 75LEU HD13 1147 2.752 5.997 3.030 0.7950 -0.6096 -0.6751 + 75LEU CD2 1148 2.910 6.271 3.171 0.0049 -0.7424 0.0647 + 75LEU HD21 1149 3.007 6.320 3.165 -0.9491 1.1610 -0.4654 + 75LEU HD22 1150 2.829 6.344 3.157 1.0081 0.4857 0.4725 + 75LEU HD23 1151 2.898 6.241 3.275 -0.3795 -0.8239 -0.0003 + 75LEU C 1152 3.257 6.053 2.980 0.8553 0.3117 0.2258 + 75LEU O 1153 3.307 6.056 3.093 -0.3700 -0.4585 -0.0476 + 76CYS N 1154 3.317 5.994 2.881 -0.2304 -0.0074 0.3465 + 76CYS H 1155 3.280 6.005 2.787 -0.5023 3.0402 0.6812 + 76CYS CA 1156 3.454 5.941 2.878 0.3766 -0.8254 -0.4613 + 76CYS HA 1157 3.484 5.938 2.982 -0.9323 -0.1573 -0.0480 + 76CYS CB 1158 3.461 5.801 2.831 0.4977 -0.1940 0.0085 + 76CYS HB1 1159 3.565 5.768 2.840 0.9019 0.2453 -2.4092 + 76CYS HB2 1160 3.435 5.801 2.725 0.2361 -1.1317 0.0609 + 76CYS SG 1161 3.364 5.670 2.916 0.3808 -0.4358 -0.1243 + 76CYS C 1162 3.548 6.035 2.806 -0.4827 -0.4405 -0.7390 + 76CYS O 1163 3.667 6.025 2.807 -0.2857 -0.0294 -0.5048 + 77ASN N 1164 3.499 6.156 2.764 0.1798 0.1785 0.0851 + 77ASN H 1165 3.400 6.174 2.774 0.1407 -0.2489 0.5326 + 77ASN CA 1166 3.580 6.265 2.687 0.3107 0.7378 -0.2322 + 77ASN HA 1167 3.507 6.329 2.639 0.2964 1.5841 0.8805 + 77ASN CB 1168 3.643 6.355 2.788 -0.3539 0.4001 0.4062 + 77ASN HB1 1169 3.720 6.303 2.845 0.8412 1.4383 -0.2103 + 77ASN HB2 1170 3.563 6.377 2.859 -0.1670 -0.0434 0.7629 + 77ASN CG 1171 3.697 6.481 2.732 0.3865 0.1135 0.0532 + 77ASN OD1 1172 3.629 6.554 2.659 -0.4590 0.1638 0.2675 + 77ASN ND2 1173 3.824 6.507 2.749 -0.2426 -0.2991 -0.0373 + 77ASN HD21 1174 3.876 6.456 2.819 -0.7928 0.4148 0.9020 + 77ASN HD22 1175 3.859 6.599 2.725 1.9272 -1.0668 -0.0867 + 77ASN C 1176 3.671 6.206 2.585 0.6294 -0.3282 0.1048 + 77ASN O 1177 3.785 6.243 2.580 0.1942 -0.0573 0.1553 + 78ILE N 1178 3.616 6.114 2.503 -0.1008 0.1327 0.0550 + 78ILE H 1179 3.517 6.093 2.505 -0.4557 1.6430 -0.3840 + 78ILE CA 1180 3.693 6.048 2.394 -0.1893 0.3217 0.2093 + 78ILE HA 1181 3.788 6.102 2.386 -0.1970 1.0696 3.4845 + 78ILE CB 1182 3.732 5.906 2.433 0.3524 -0.2827 0.4072 + 78ILE HB 1183 3.759 5.845 2.346 2.0660 0.9701 0.0013 + 78ILE CG2 1184 3.860 5.895 2.519 -0.2595 0.1619 0.2961 + 78ILE HG21 1185 3.855 5.959 2.607 0.7194 -0.1300 0.5809 + 78ILE HG22 1186 3.871 5.792 2.554 0.2235 0.3790 0.8070 + 78ILE HG23 1187 3.956 5.921 2.474 -0.1117 -1.9033 -0.7193 + 78ILE CG1 1188 3.618 5.834 2.500 -0.4301 -0.4439 0.0266 + 78ILE HG11 1189 3.527 5.865 2.447 -0.1186 0.5321 0.0601 + 78ILE HG12 1190 3.613 5.860 2.605 2.5240 -1.8534 0.6141 + 78ILE CD 1191 3.624 5.678 2.489 0.1137 0.5214 0.6092 + 78ILE HD1 1192 3.726 5.638 2.492 -0.6321 -1.4579 1.3807 + 78ILE HD2 1193 3.572 5.632 2.573 0.0440 0.1079 0.3400 + 78ILE HD3 1194 3.581 5.660 2.390 -0.0999 0.5494 0.6967 + 78ILE C 1195 3.614 6.045 2.266 -0.0458 -0.3583 -0.1436 + 78ILE O 1196 3.493 6.054 2.264 0.3570 -0.3253 0.2416 + 79PRO N 1197 3.685 6.035 2.154 -0.3762 -0.1379 -0.6330 + 79PRO CD 1198 3.830 6.037 2.132 -0.2387 0.0239 -0.2996 + 79PRO HD1 1199 3.874 5.945 2.170 0.6336 0.5146 -0.0946 + 79PRO HD2 1200 3.870 6.125 2.183 0.1469 -0.7348 0.7538 + 79PRO CG 1201 3.857 6.052 1.978 0.1088 -0.3241 -0.2698 + 79PRO HG1 1202 3.894 5.958 1.938 -2.1956 -2.3352 1.9670 + 79PRO HG2 1203 3.928 6.132 1.958 -0.1769 0.5196 1.7942 + 79PRO CB 1204 3.722 6.083 1.921 -0.2303 0.1700 0.7768 + 79PRO HB1 1205 3.703 6.040 1.823 2.3322 -0.3300 0.4185 + 79PRO HB2 1206 3.709 6.190 1.909 -1.7394 -0.1566 -0.8718 + 79PRO CA 1207 3.626 6.018 2.022 0.4274 -0.1106 -0.1949 + 79PRO HA 1208 3.532 6.074 2.013 0.1843 -0.4652 0.0785 + 79PRO C 1209 3.586 5.870 1.991 -0.4443 -0.2788 -0.1112 + 79PRO O 1210 3.668 5.779 2.019 -0.2801 -0.1117 -0.0337 + 80CYS N 1211 3.467 5.842 1.946 -0.4022 0.1099 0.6122 + 80CYS H 1212 3.408 5.920 1.920 -0.1704 -0.1997 -0.9862 + 80CYS CA 1213 3.427 5.701 1.927 0.3604 -0.7437 -0.0663 + 80CYS HA 1214 3.425 5.652 2.024 -1.0584 -1.1264 -0.2690 + 80CYS CB 1215 3.285 5.699 1.871 -0.3944 -0.5084 0.4789 + 80CYS HB1 1216 3.253 5.597 1.850 -2.1066 0.6929 -3.9250 + 80CYS HB2 1217 3.279 5.742 1.771 1.3275 -1.5708 -0.1429 + 80CYS SG 1218 3.161 5.765 1.978 -0.0245 -0.4301 -0.2088 + 80CYS C 1219 3.514 5.618 1.835 0.2187 -0.2287 -0.0696 + 80CYS O 1220 3.521 5.499 1.853 -0.0310 -0.2346 -0.2800 + 81SER N 1221 3.589 5.681 1.740 -0.0806 0.4770 -0.1264 + 81SER H 1222 3.593 5.782 1.737 -3.3695 0.7202 -0.1769 + 81SER CA 1223 3.691 5.611 1.660 -0.2105 -0.1827 -0.4252 + 81SER HA 1224 3.645 5.533 1.600 1.0774 -0.8802 -0.5430 + 81SER CB 1225 3.747 5.709 1.558 0.4966 -0.6144 -0.0492 + 81SER HB1 1226 3.666 5.759 1.506 0.3612 2.3607 2.6505 + 81SER HB2 1227 3.814 5.673 1.480 -0.1291 0.5963 -1.1957 + 81SER OG 1228 3.818 5.812 1.628 -0.2259 -0.4908 -0.3349 + 81SER HG 1229 3.910 5.784 1.625 -0.2915 -0.6694 -0.6695 + 81SER C 1230 3.797 5.536 1.743 -1.1519 -0.0710 0.5102 + 81SER O 1231 3.840 5.430 1.700 -0.4930 0.6873 0.5111 + 82ALA N 1232 3.840 5.584 1.860 0.2927 -0.2364 -0.1768 + 82ALA H 1233 3.806 5.673 1.892 -1.8876 -1.6382 1.6490 + 82ALA CA 1234 3.935 5.522 1.952 -0.2471 0.7427 -0.4517 + 82ALA HA 1235 4.030 5.511 1.900 0.3198 -1.3698 0.8979 + 82ALA CB 1236 3.961 5.616 2.071 0.2606 0.1849 0.5900 + 82ALA HB1 1237 3.991 5.715 2.037 3.3397 -0.9664 -0.3991 + 82ALA HB2 1238 3.871 5.638 2.128 -0.0800 -1.7396 0.8765 + 82ALA HB3 1239 4.039 5.578 2.138 -0.5682 -1.4106 0.7159 + 82ALA C 1240 3.891 5.381 2.021 0.0939 0.2485 0.4742 + 82ALA O 1241 3.980 5.296 2.044 0.1228 0.4397 0.1840 + 83LEU N 1242 3.761 5.349 2.023 0.5035 0.4562 0.0086 + 83LEU H 1243 3.695 5.416 1.985 -0.2871 0.6797 1.6972 + 83LEU CA 1244 3.704 5.218 2.061 0.5264 -1.1786 0.6741 + 83LEU HA 1245 3.761 5.173 2.143 0.7377 -0.7301 0.7751 + 83LEU CB 1246 3.561 5.248 2.112 0.3837 -0.2665 0.5651 + 83LEU HB1 1247 3.518 5.163 2.165 -3.4666 1.2292 0.1546 + 83LEU HB2 1248 3.499 5.257 2.023 0.2696 -0.6869 0.6000 + 83LEU CG 1249 3.542 5.378 2.202 -0.2867 -0.0165 -0.0103 + 83LEU HG 1250 3.579 5.470 2.157 -2.3218 0.7512 -0.2192 + 83LEU CD1 1251 3.401 5.406 2.238 -0.2170 -0.1363 -0.1830 + 83LEU HD11 1252 3.403 5.491 2.305 2.5529 -0.1516 -0.1328 + 83LEU HD12 1253 3.340 5.425 2.150 0.8406 2.3870 -0.4441 + 83LEU HD13 1254 3.355 5.328 2.298 -0.1642 -0.0257 0.0017 + 83LEU CD2 1255 3.614 5.353 2.344 -0.3480 0.1709 0.0050 + 83LEU HD21 1256 3.580 5.254 2.372 -1.8121 1.2648 2.4255 + 83LEU HD22 1257 3.721 5.368 2.336 -0.5439 2.6548 0.9417 + 83LEU HD23 1258 3.575 5.418 2.423 -3.9839 -2.3525 0.5229 + 83LEU C 1259 3.704 5.117 1.944 0.1785 0.2593 -0.7171 + 83LEU O 1260 3.684 5.000 1.977 -0.5016 0.5351 0.0638 + 84LEU N 1261 3.732 5.160 1.820 -0.7250 0.6249 0.2953 + 84LEU H 1262 3.757 5.256 1.798 -1.8296 0.7766 -0.3104 + 84LEU CA 1263 3.755 5.060 1.712 0.4338 -0.7595 -0.4435 + 84LEU HA 1264 3.699 4.968 1.731 0.2891 -0.3295 1.4173 + 84LEU CB 1265 3.692 5.110 1.578 -0.8045 0.4919 -0.1751 + 84LEU HB1 1266 3.701 5.031 1.503 -0.2163 2.7041 -2.5904 + 84LEU HB2 1267 3.755 5.190 1.541 0.9205 -0.2460 1.0090 + 84LEU CG 1268 3.553 5.164 1.584 -0.2178 0.3716 -0.4214 + 84LEU HG 1269 3.549 5.233 1.668 1.8984 -2.3058 2.0899 + 84LEU CD1 1270 3.523 5.239 1.451 0.0469 0.0943 0.0878 + 84LEU HD11 1271 3.601 5.311 1.427 0.9127 -1.6848 -3.1291 + 84LEU HD12 1272 3.517 5.169 1.367 -0.7995 1.5223 -1.0912 + 84LEU HD13 1273 3.421 5.276 1.445 0.1770 0.5041 0.4311 + 84LEU CD2 1274 3.454 5.052 1.606 -0.7321 0.5647 -0.4604 + 84LEU HD21 1275 3.351 5.077 1.583 -2.3375 -3.6257 1.0841 + 84LEU HD22 1276 3.474 4.973 1.533 0.1814 -1.5174 1.8749 + 84LEU HD23 1277 3.443 5.009 1.706 -0.3874 0.3484 -0.5129 + 84LEU C 1278 3.900 5.018 1.695 -0.6314 -0.3005 -0.3451 + 84LEU O 1279 3.931 4.941 1.603 -0.0652 0.0552 0.1192 + 85SER N 1280 3.993 5.070 1.779 -0.4836 -0.1138 -0.7072 + 85SER H 1281 3.964 5.141 1.844 1.1831 -0.3448 0.3625 + 85SER CA 1282 4.136 5.028 1.776 0.1155 0.2083 -0.3379 + 85SER HA 1283 4.161 5.026 1.670 -1.9574 -2.0225 -0.8815 + 85SER CB 1284 4.229 5.119 1.859 0.1616 0.3903 -0.6931 + 85SER HB1 1285 4.220 5.085 1.962 -0.5281 -0.3514 -0.9820 + 85SER HB2 1286 4.194 5.222 1.857 -0.2638 0.3050 0.9109 + 85SER OG 1287 4.362 5.113 1.816 0.2740 0.1633 -0.0561 + 85SER HG 1288 4.413 5.177 1.867 -1.7245 1.0934 0.9036 + 85SER C 1289 4.160 4.884 1.820 -0.6214 0.1801 -0.0636 + 85SER O 1290 4.098 4.838 1.914 0.2028 0.0786 0.5026 + 86SER N 1291 4.262 4.823 1.757 -0.2014 -0.1316 0.0897 + 86SER H 1292 4.301 4.869 1.676 0.5543 0.3999 0.7460 + 86SER CA 1293 4.317 4.689 1.796 0.9967 0.0853 0.2346 + 86SER HA 1294 4.236 4.616 1.792 1.4765 -0.4521 0.1627 + 86SER CB 1295 4.420 4.646 1.693 0.0392 0.1494 0.2960 + 86SER HB1 1296 4.446 4.543 1.717 0.0935 -0.3971 -1.8861 + 86SER HB2 1297 4.511 4.707 1.696 0.0289 0.1857 -0.1242 + 86SER OG 1298 4.376 4.642 1.556 0.0633 0.3548 0.0515 + 86SER HG 1299 4.454 4.628 1.502 1.6527 -1.1921 2.5475 + 86SER C 1300 4.366 4.681 1.936 -0.2704 -1.0099 -0.4249 + 86SER O 1301 4.379 4.576 2.002 -0.4835 -0.3410 -0.0041 + 87ASP N 1302 4.382 4.798 1.998 -0.0948 -0.1324 0.0170 + 87ASP H 1303 4.358 4.879 1.943 -0.0799 -0.6463 -0.7541 + 87ASP CA 1304 4.413 4.822 2.137 -0.4662 -0.4411 0.0971 + 87ASP HA 1305 4.464 4.732 2.173 -0.9270 -1.2288 -1.1698 + 87ASP CB 1306 4.519 4.936 2.156 -0.0711 0.5243 -0.1492 + 87ASP HB1 1307 4.475 5.036 2.151 -2.5279 -0.5128 -0.6942 + 87ASP HB2 1308 4.599 4.913 2.086 -0.0577 0.9594 -0.2789 + 87ASP CG 1309 4.593 4.927 2.289 -0.2338 -0.2777 -0.2652 + 87ASP OD1 1310 4.531 4.885 2.393 -0.0486 -0.1893 -0.4135 + 87ASP OD2 1311 4.706 4.970 2.299 -0.7644 -0.2147 -0.1356 + 87ASP C 1312 4.286 4.848 2.213 0.1698 -0.8327 -0.5601 + 87ASP O 1313 4.214 4.948 2.189 0.1599 -0.2633 -0.6265 + 88ILE N 1314 4.263 4.755 2.307 0.2864 -0.1461 -0.4046 + 88ILE H 1315 4.327 4.677 2.315 2.3834 1.5061 -0.2580 + 88ILE CA 1316 4.147 4.766 2.392 0.1324 -0.3529 -0.3181 + 88ILE HA 1317 4.060 4.791 2.332 0.1119 1.8945 0.5453 + 88ILE CB 1318 4.101 4.629 2.455 -0.2532 -0.0730 -0.1374 + 88ILE HB 1319 4.008 4.633 2.511 0.0573 -1.8798 0.5792 + 88ILE CG2 1320 4.076 4.530 2.337 0.4440 0.9517 -0.3733 + 88ILE HG21 1321 4.002 4.454 2.365 0.2668 1.4068 0.4025 + 88ILE HG22 1322 4.033 4.585 2.253 0.1577 0.6623 -0.4217 + 88ILE HG23 1323 4.166 4.482 2.299 0.2046 2.3076 -2.9159 + 88ILE CG1 1324 4.205 4.571 2.554 0.4917 0.2458 -0.1393 + 88ILE HG11 1325 4.237 4.644 2.628 0.8522 -0.5462 0.5014 + 88ILE HG12 1326 4.291 4.531 2.501 -0.2978 -1.1857 -0.3859 + 88ILE CD 1327 4.138 4.462 2.644 0.6335 0.7567 -0.3215 + 88ILE HD1 1328 4.214 4.442 2.719 -0.8659 0.5799 1.2332 + 88ILE HD2 1329 4.048 4.505 2.689 0.2951 -0.6076 0.3696 + 88ILE HD3 1330 4.103 4.371 2.596 0.0106 0.5224 0.5434 + 88ILE C 1331 4.157 4.867 2.507 -0.0976 -0.2032 0.3524 + 88ILE O 1332 4.057 4.885 2.581 -0.8770 0.1370 0.5867 + 89THR N 1333 4.275 4.933 2.521 0.3661 0.1359 0.4325 + 89THR H 1334 4.345 4.927 2.449 -1.0552 -0.1831 -0.9817 + 89THR CA 1335 4.292 5.031 2.630 0.5710 1.0987 0.3918 + 89THR HA 1336 4.299 4.984 2.728 1.8972 0.8340 0.1857 + 89THR CB 1337 4.427 5.106 2.609 0.2173 -0.0749 -0.5656 + 89THR HB 1338 4.425 5.141 2.506 -1.8590 -1.9867 -1.2636 + 89THR CG2 1339 4.453 5.219 2.708 0.7060 0.0356 0.7454 + 89THR HG21 1340 4.418 5.181 2.804 0.6010 0.0104 0.6960 + 89THR HG22 1341 4.561 5.234 2.705 0.7525 -0.3555 0.2565 + 89THR HG23 1342 4.400 5.310 2.680 1.1231 0.3263 0.8753 + 89THR OG1 1343 4.537 5.021 2.615 -0.4828 -0.2060 -0.4586 + 89THR HG1 1344 4.534 4.969 2.535 -1.0674 -3.4392 1.4555 + 89THR C 1345 4.181 5.142 2.639 0.4393 0.0613 0.3485 + 89THR O 1346 4.113 5.141 2.743 -0.6396 -0.2830 0.0468 + 90ALA N 1347 4.153 5.220 2.537 0.2993 0.4741 -0.4350 + 90ALA H 1348 4.212 5.205 2.457 -0.7841 0.2117 -1.1983 + 90ALA CA 1349 4.050 5.319 2.533 0.2471 0.1239 -0.1658 + 90ALA HA 1350 4.076 5.401 2.601 3.4459 1.8370 -3.1195 + 90ALA CB 1351 4.050 5.396 2.400 -0.9717 -0.7219 -0.6270 + 90ALA HB1 1352 4.147 5.447 2.396 -1.8288 0.9343 -1.7911 + 90ALA HB2 1353 4.040 5.326 2.317 -3.0366 -0.6866 -0.4389 + 90ALA HB3 1354 3.967 5.465 2.418 0.2456 0.5712 0.3025 + 90ALA C 1355 3.915 5.259 2.575 -0.5881 0.4776 0.4622 + 90ALA O 1356 3.847 5.328 2.649 -0.1262 -0.4280 0.2084 + 91SER N 1357 3.871 5.147 2.521 -0.2916 0.4879 -0.2441 + 91SER H 1358 3.934 5.083 2.476 -1.0271 0.9309 -1.9649 + 91SER CA 1359 3.738 5.087 2.568 -0.3627 -0.3791 0.8604 + 91SER HA 1360 3.661 5.164 2.577 -0.0085 -0.0357 0.9619 + 91SER CB 1361 3.698 4.976 2.465 0.1898 0.3468 0.1023 + 91SER HB1 1362 3.594 4.946 2.478 0.0439 0.9515 0.3249 + 91SER HB2 1363 3.741 4.878 2.490 -1.6476 0.2672 3.5411 + 91SER OG 1364 3.694 5.000 2.325 -0.5272 -0.0241 0.0877 + 91SER HG 1365 3.778 5.033 2.292 -1.6869 0.7070 -2.3604 + 91SER C 1366 3.732 5.036 2.707 -1.0634 -0.1787 -0.1572 + 91SER O 1367 3.637 5.055 2.777 0.6265 0.4818 -0.1760 + 92VAL N 1368 3.842 4.971 2.757 0.0685 0.7728 0.3085 + 92VAL H 1369 3.912 4.941 2.691 -2.1974 -1.3403 -1.3724 + 92VAL CA 1370 3.861 4.942 2.903 0.6956 0.1113 0.4080 + 92VAL HA 1371 3.769 4.888 2.924 -0.8430 1.8195 -1.5325 + 92VAL CB 1372 3.984 4.858 2.929 0.0192 0.0880 -0.2121 + 92VAL HB 1373 4.072 4.915 2.898 -0.8490 0.8031 -1.4369 + 92VAL CG1 1374 3.995 4.832 3.078 -0.0524 -0.2632 -0.1193 + 92VAL HG11 1375 3.893 4.821 3.115 0.4721 -0.3383 1.3357 + 92VAL HG12 1376 4.035 4.734 3.106 0.6722 -0.0246 -0.2961 + 92VAL HG13 1377 4.045 4.914 3.127 -0.1014 -0.8601 0.9520 + 92VAL CG2 1378 3.978 4.730 2.852 0.0733 0.0418 -0.2742 + 92VAL HG21 1379 3.952 4.752 2.748 -0.1467 2.3130 0.1981 + 92VAL HG22 1380 4.081 4.694 2.847 0.1817 0.3885 -4.3062 + 92VAL HG23 1381 3.923 4.650 2.901 -0.7987 2.7958 3.6788 + 92VAL C 1382 3.853 5.063 3.001 0.1493 -0.5687 -0.5917 + 92VAL O 1383 3.780 5.057 3.102 -0.8099 -0.1193 1.0849 + 93ASN N 1384 3.919 5.174 2.968 -1.3182 0.2416 -0.0939 + 93ASN H 1385 3.974 5.181 2.884 -2.6114 1.0632 -0.8911 + 93ASN CA 1386 3.910 5.294 3.050 0.4405 -0.5978 -0.2212 + 93ASN HA 1387 3.927 5.279 3.157 0.1647 2.8928 0.4478 + 93ASN CB 1388 4.010 5.400 3.001 -0.4242 0.2438 -1.0176 + 93ASN HB1 1389 3.976 5.499 3.031 0.1612 0.2866 -0.4850 + 93ASN HB2 1390 4.012 5.409 2.892 -0.8899 -0.4756 -1.0960 + 93ASN CG 1391 4.156 5.376 3.045 0.1475 0.0905 -0.9042 + 93ASN OD1 1392 4.249 5.354 2.969 0.1436 0.4371 -0.7147 + 93ASN ND2 1393 4.180 5.383 3.173 0.1985 -0.0888 -0.9214 + 93ASN HD21 1394 4.101 5.404 3.233 0.4214 -1.1920 -0.2250 + 93ASN HD22 1395 4.270 5.365 3.213 -1.1006 -1.8630 1.4643 + 93ASN C 1396 3.771 5.355 3.053 -0.7581 0.2132 0.0429 + 93ASN O 1397 3.729 5.393 3.161 -0.1981 -0.1232 0.6703 + 94CYS N 1398 3.702 5.355 2.938 0.4264 0.0711 -0.2033 + 94CYS H 1399 3.732 5.318 2.849 -0.3288 -1.3354 0.0984 + 94CYS CA 1400 3.564 5.396 2.942 -0.0053 0.0560 1.1036 + 94CYS HA 1401 3.555 5.487 3.002 -0.3263 1.3914 -0.8595 + 94CYS CB 1402 3.531 5.439 2.803 0.2663 -0.4215 0.1566 + 94CYS HB1 1403 3.524 5.349 2.742 1.6346 0.0861 -0.7996 + 94CYS HB2 1404 3.605 5.503 2.755 -1.3356 3.1179 1.9761 + 94CYS SG 1405 3.363 5.520 2.784 0.1126 0.3739 -0.0024 + 94CYS C 1406 3.473 5.292 3.006 0.9761 0.7905 0.6450 + 94CYS O 1407 3.376 5.335 3.067 0.0862 0.2659 -0.0096 + 95ALA N 1408 3.493 5.159 3.002 -0.0940 0.4694 -0.1268 + 95ALA H 1409 3.556 5.126 2.930 -2.6467 -0.4421 -2.0601 + 95ALA CA 1410 3.400 5.065 3.074 -0.4984 -0.4441 -0.2906 + 95ALA HA 1411 3.295 5.089 3.057 -0.3616 -0.1806 -0.7950 + 95ALA CB 1412 3.421 4.932 3.014 -0.6682 0.2656 -0.8328 + 95ALA HB1 1413 3.525 4.907 2.994 -1.3058 -1.9785 -1.6022 + 95ALA HB2 1414 3.378 4.850 3.072 0.4976 -0.9610 -1.6341 + 95ALA HB3 1415 3.370 4.946 2.919 -2.6359 2.3926 0.4267 + 95ALA C 1416 3.414 5.071 3.225 0.2229 0.3801 0.0720 + 95ALA O 1417 3.316 5.057 3.294 0.2899 0.3510 0.1889 + 96LYS N 1418 3.533 5.099 3.276 0.0269 0.3655 0.0116 + 96LYS H 1419 3.606 5.103 3.206 0.6614 -1.0101 0.5568 + 96LYS CA 1420 3.562 5.134 3.422 0.3767 0.2841 0.1497 + 96LYS HA 1421 3.541 5.054 3.493 1.7418 1.1952 1.6537 + 96LYS CB 1422 3.719 5.160 3.428 0.1383 0.3925 -0.5487 + 96LYS HB1 1423 3.726 5.211 3.524 1.5128 1.0865 -0.9960 + 96LYS HB2 1424 3.756 5.215 3.342 -0.1124 -0.4186 -1.1952 + 96LYS CG 1425 3.803 5.031 3.443 -0.5021 0.2526 -0.4344 + 96LYS HG1 1426 3.789 4.983 3.346 -1.0384 1.2861 -0.8775 + 96LYS HG2 1427 3.764 4.967 3.521 1.1918 -0.5641 -0.2040 + 96LYS CD 1428 3.951 5.058 3.457 0.3176 0.2485 -0.0294 + 96LYS HD1 1429 3.973 5.106 3.552 -0.6374 1.2378 -0.2940 + 96LYS HD2 1430 4.002 5.107 3.374 -0.8330 0.6202 -0.5387 + 96LYS CE 1431 4.021 4.925 3.461 -0.5285 0.2526 -0.2802 + 96LYS HE1 1432 4.003 4.862 3.374 0.6147 -2.0362 1.0357 + 96LYS HE2 1433 3.969 4.883 3.547 0.5545 2.3923 1.5232 + 96LYS NZ 1434 4.167 4.953 3.483 -0.1123 -0.2200 0.3924 + 96LYS HZ1 1435 4.192 4.925 3.577 1.7209 -0.8503 -0.2430 + 96LYS HZ2 1436 4.227 4.916 3.411 0.3721 1.4624 -0.1121 + 96LYS HZ3 1437 4.179 5.053 3.485 -0.1916 -0.2090 2.4551 + 96LYS C 1438 3.483 5.258 3.466 0.7078 0.2375 0.2107 + 96LYS O 1439 3.422 5.256 3.573 0.5241 -0.4945 -0.4657 + 97LYS N 1440 3.485 5.366 3.385 -1.0587 0.6084 -0.2572 + 97LYS H 1441 3.519 5.353 3.291 1.0438 0.1231 0.5100 + 97LYS CA 1442 3.402 5.483 3.406 -0.3492 0.1881 -0.5071 + 97LYS HA 1443 3.425 5.525 3.504 0.2157 0.2365 -0.6565 + 97LYS CB 1444 3.427 5.586 3.301 -0.4731 -0.0298 0.6663 + 97LYS HB1 1445 3.349 5.662 3.300 0.5006 1.0073 0.5713 + 97LYS HB2 1446 3.429 5.541 3.201 0.2673 2.1199 -0.3609 + 97LYS CG 1447 3.558 5.657 3.329 0.8481 -0.0385 0.0456 + 97LYS HG1 1448 3.634 5.578 3.331 -0.2004 -1.1219 -1.0246 + 97LYS HG2 1449 3.538 5.712 3.420 -1.7878 0.4202 -0.7361 + 97LYS CD 1450 3.592 5.759 3.216 0.7560 0.0555 -0.2048 + 97LYS HD1 1451 3.510 5.830 3.203 0.6892 -0.0196 -0.1985 + 97LYS HD2 1452 3.603 5.702 3.124 -1.1980 1.2173 -1.2359 + 97LYS CE 1453 3.728 5.820 3.253 -0.4479 0.6310 0.1464 + 97LYS HE1 1454 3.798 5.736 3.252 0.8904 1.5749 2.7903 + 97LYS HE2 1455 3.732 5.863 3.353 -1.3300 3.3124 -0.8745 + 97LYS NZ 1456 3.773 5.921 3.168 0.2045 -0.4599 -0.4662 + 97LYS HZ1 1457 3.708 5.998 3.169 -0.0189 -0.6528 -0.0848 + 97LYS HZ2 1458 3.865 5.955 3.190 0.1654 1.5624 -2.9409 + 97LYS HZ3 1459 3.777 5.880 3.075 -0.1815 2.4919 -1.8900 + 97LYS C 1460 3.251 5.437 3.418 -0.4785 -0.8610 -0.1105 + 97LYS O 1461 3.189 5.457 3.519 0.4289 -0.2320 -0.2785 + 98ILE N 1462 3.200 5.375 3.313 -0.2481 0.1815 -0.2731 + 98ILE H 1463 3.270 5.355 3.243 -0.0223 -0.1882 0.0589 + 98ILE CA 1464 3.055 5.336 3.296 0.7214 -0.3191 0.9018 + 98ILE HA 1465 2.982 5.417 3.290 -0.0272 -1.0269 0.2181 + 98ILE CB 1466 3.035 5.251 3.166 -0.1755 -0.2627 0.6550 + 98ILE HB 1467 3.111 5.173 3.160 -1.2144 -1.1713 -2.9834 + 98ILE CG2 1468 2.898 5.194 3.140 -0.2963 -0.7804 0.3294 + 98ILE HG21 1469 2.897 5.148 3.041 -1.0481 -2.3096 1.0225 + 98ILE HG22 1470 2.864 5.118 3.211 -1.2794 -1.2025 -0.5612 + 98ILE HG23 1471 2.821 5.272 3.143 0.2872 -0.2044 0.3489 + 98ILE CG1 1472 3.059 5.345 3.046 -0.1046 0.3350 -0.1213 + 98ILE HG11 1473 3.141 5.416 3.057 -0.0031 0.0456 1.2067 + 98ILE HG12 1474 2.969 5.406 3.031 0.1989 0.1527 -3.1154 + 98ILE CD 1475 3.079 5.277 2.907 -0.1940 0.0945 0.0029 + 98ILE HD1 1476 3.121 5.349 2.837 -0.3128 -0.1814 -0.3609 + 98ILE HD2 1477 3.152 5.196 2.917 2.0373 2.0493 0.2103 + 98ILE HD3 1478 2.983 5.245 2.867 -0.0643 0.5749 -0.7113 + 98ILE C 1479 3.015 5.247 3.415 0.2783 -0.0254 -0.2623 + 98ILE O 1480 2.915 5.274 3.474 0.3370 0.4737 0.2831 + 99VAL N 1481 3.085 5.139 3.437 -0.4884 0.3434 -0.2332 + 99VAL H 1482 3.175 5.116 3.398 -0.0330 -1.4070 1.6693 + 99VAL CA 1483 3.051 5.042 3.539 -0.6037 0.2727 0.0493 + 99VAL HA 1484 2.947 5.013 3.524 -0.9049 0.6939 1.1788 + 99VAL CB 1485 3.138 4.912 3.521 -0.5952 -0.3420 -0.4189 + 99VAL HB 1486 3.159 4.892 3.416 2.6964 2.2904 -0.4129 + 99VAL CG1 1487 3.278 4.918 3.585 -0.2130 0.3023 0.7433 + 99VAL HG11 1488 3.276 4.921 3.694 2.2590 -1.5512 0.9173 + 99VAL HG12 1489 3.338 4.829 3.565 0.8200 0.5106 2.6797 + 99VAL HG13 1490 3.327 5.012 3.560 -2.5224 1.7958 1.4060 + 99VAL CG2 1491 3.060 4.795 3.578 0.6083 -0.4578 0.2391 + 99VAL HG21 1492 3.127 4.710 3.564 -0.0166 -0.7937 -0.8053 + 99VAL HG22 1493 3.028 4.806 3.682 -0.4282 0.5476 -0.1651 + 99VAL HG23 1494 2.976 4.777 3.511 0.0617 -1.3330 1.1330 + 99VAL C 1495 3.064 5.102 3.683 -0.0739 0.0242 -0.0280 + 99VAL O 1496 2.997 5.055 3.775 0.0850 -0.5273 0.4134 + 100SER N 1497 3.136 5.213 3.702 0.4144 0.0267 0.4026 + 100SER H 1498 3.176 5.257 3.620 0.5157 -0.4590 0.1893 + 100SER CA 1499 3.125 5.291 3.826 0.2044 0.6455 0.0836 + 100SER HA 1500 3.104 5.225 3.910 -4.1011 -1.2327 -2.1685 + 100SER CB 1501 3.258 5.366 3.844 0.2274 0.0305 0.8488 + 100SER HB1 1502 3.247 5.418 3.939 -2.8703 0.0672 0.5659 + 100SER HB2 1503 3.267 5.441 3.765 -0.2582 0.1659 0.9166 + 100SER OG 1504 3.368 5.273 3.831 -0.2925 0.0292 0.1290 + 100SER HG 1505 3.354 5.243 3.740 -0.1650 0.4563 -0.0343 + 100SER C 1506 3.009 5.394 3.843 -0.8571 -0.0328 0.3068 + 100SER O 1507 3.000 5.454 3.948 -0.0412 -0.3640 -0.1787 + 101ASP N 1508 2.920 5.413 3.745 0.3253 0.6084 0.1823 + 101ASP H 1509 2.932 5.366 3.656 0.3273 2.1102 -0.6471 + 101ASP CA 1510 2.822 5.519 3.739 0.0359 -0.3469 0.2233 + 101ASP HA 1511 2.881 5.598 3.785 -0.1358 0.0490 -0.2308 + 101ASP CB 1512 2.792 5.556 3.591 -0.6785 -0.2365 0.3466 + 101ASP HB1 1513 2.768 5.464 3.538 1.2054 0.2124 -1.4028 + 101ASP HB2 1514 2.887 5.594 3.554 0.7756 -2.2562 1.7808 + 101ASP CG 1515 2.684 5.656 3.570 0.1679 0.7954 0.4805 + 101ASP OD1 1516 2.718 5.772 3.580 0.2775 -0.3712 -0.4224 + 101ASP OD2 1517 2.569 5.617 3.532 0.3129 0.3977 0.2781 + 101ASP C 1518 2.688 5.503 3.815 -0.4068 0.7421 0.2906 + 101ASP O 1519 2.635 5.604 3.862 0.2925 0.1070 0.4230 + 102GLY N 1520 2.644 5.377 3.836 -0.4592 0.0793 -0.5035 + 102GLY H 1521 2.708 5.300 3.821 -1.4203 -0.5876 -1.3565 + 102GLY CA 1522 2.545 5.350 3.949 -0.0810 -0.0447 -0.2740 + 102GLY HA1 1523 2.467 5.425 3.935 1.5797 1.7783 -0.1028 + 102GLY HA2 1524 2.606 5.357 4.039 -2.3443 0.1737 1.3266 + 102GLY C 1525 2.477 5.218 3.946 -0.8995 -0.0076 0.2045 + 102GLY O 1526 2.441 5.176 4.055 -0.6186 0.2757 0.3951 + 103ASN N 1527 2.473 5.150 3.831 -0.6019 -0.1904 -0.5322 + 103ASN H 1528 2.507 5.203 3.752 -0.8255 1.1821 0.2642 + 103ASN CA 1529 2.392 5.028 3.813 -0.0280 0.6728 0.5466 + 103ASN HA 1530 2.350 5.002 3.911 2.1513 -0.0305 1.3370 + 103ASN CB 1531 2.283 5.048 3.705 0.8865 -0.8320 0.5395 + 103ASN HB1 1532 2.322 5.034 3.604 -2.4167 -0.8879 -0.8658 + 103ASN HB2 1533 2.244 5.150 3.711 -3.4497 -2.3116 0.5273 + 103ASN CG 1534 2.165 4.953 3.705 -0.0308 -0.7241 0.0184 + 103ASN OD1 1535 2.156 4.866 3.786 0.6258 -0.1283 0.4378 + 103ASN ND2 1536 2.072 4.972 3.609 0.3212 0.7320 0.4312 + 103ASN HD21 1537 2.095 5.038 3.536 -1.7637 0.7350 -0.2900 + 103ASN HD22 1538 2.000 4.904 3.590 -1.1892 2.9230 -2.4611 + 103ASN C 1539 2.487 4.906 3.781 0.5693 -0.3190 -0.0386 + 103ASN O 1540 2.440 4.805 3.736 -0.5690 -0.6715 0.1832 + 104GLY N 1541 2.620 4.919 3.800 -0.1409 -0.5872 -0.3852 + 104GLY H 1542 2.650 4.998 3.855 0.4657 -2.0417 1.4647 + 104GLY CA 1543 2.713 4.818 3.756 0.1288 -0.2872 0.1329 + 104GLY HA1 1544 2.698 4.725 3.811 0.8425 -0.2875 0.3318 + 104GLY HA2 1545 2.808 4.867 3.775 -1.4702 2.7903 0.8093 + 104GLY C 1546 2.711 4.777 3.608 -0.5863 -0.4664 -0.1088 + 104GLY O 1547 2.709 4.875 3.523 -0.0164 -0.5426 -0.1700 + 105MET N 1548 2.724 4.651 3.578 -0.3042 -0.4951 -0.1149 + 105MET H 1549 2.756 4.588 3.650 0.4386 -2.1229 -1.7763 + 105MET CA 1550 2.726 4.606 3.440 -0.4472 0.1303 0.1645 + 105MET HA 1551 2.784 4.674 3.378 2.8861 -1.1592 1.6281 + 105MET CB 1552 2.796 4.470 3.425 -0.3862 -0.0532 0.1056 + 105MET HB1 1553 2.776 4.425 3.328 2.3693 -1.7522 0.2212 + 105MET HB2 1554 2.762 4.396 3.498 -0.9275 -0.1677 -0.2554 + 105MET CG 1555 2.956 4.485 3.426 -0.4003 0.1332 -0.4330 + 105MET HG1 1556 2.975 4.521 3.527 -0.4695 -0.9175 -0.0285 + 105MET HG2 1557 2.982 4.555 3.347 -0.4096 1.4627 0.7048 + 105MET SD 1558 3.036 4.325 3.409 0.0699 -0.2144 0.0680 + 105MET CE 1559 3.032 4.298 3.234 -0.6283 -0.6448 0.3561 + 105MET HE1 1560 3.076 4.199 3.220 2.2559 0.5474 0.3610 + 105MET HE2 1561 2.927 4.302 3.204 -1.2065 1.5967 2.4167 + 105MET HE3 1562 3.085 4.375 3.178 -0.8183 -0.1476 0.8457 + 105MET C 1563 2.582 4.596 3.383 0.4153 0.5023 0.1781 + 105MET O 1564 2.564 4.557 3.267 -0.4372 -0.1944 -0.5448 + 106ASN N 1565 2.481 4.629 3.458 0.0415 0.2168 -0.4276 + 106ASN H 1566 2.508 4.657 3.551 0.3248 0.4734 -0.5853 + 106ASN CA 1567 2.342 4.641 3.403 -0.4869 -0.6348 -0.1703 + 106ASN HA 1568 2.318 4.544 3.360 3.3226 -1.5676 -0.5718 + 106ASN CB 1569 2.234 4.672 3.507 0.2716 -0.2006 0.3301 + 106ASN HB1 1570 2.139 4.682 3.453 -1.3814 -0.6593 2.9877 + 106ASN HB2 1571 2.256 4.767 3.556 1.3858 0.4848 -1.4117 + 106ASN CG 1572 2.212 4.550 3.602 -0.2418 0.0256 -0.5536 + 106ASN OD1 1573 2.157 4.444 3.556 0.2544 -0.5552 0.3443 + 106ASN ND2 1574 2.273 4.558 3.717 0.3054 -0.0962 -0.8585 + 106ASN HD21 1575 2.333 4.636 3.740 0.3470 -0.0785 -1.0290 + 106ASN HD22 1576 2.275 4.476 3.776 0.1858 -1.1512 -2.2656 + 106ASN C 1577 2.346 4.734 3.279 0.9110 -0.2926 0.0849 + 106ASN O 1578 2.252 4.724 3.194 -0.4920 0.4311 -0.3215 + 107ALA N 1579 2.452 4.814 3.255 -0.2844 0.2493 0.5342 + 107ALA H 1580 2.515 4.833 3.332 -0.1262 -1.0778 0.7565 + 107ALA CA 1581 2.465 4.901 3.143 -0.2591 -0.9774 0.2663 + 107ALA HA 1582 2.374 4.960 3.136 0.7187 0.6619 0.8426 + 107ALA CB 1583 2.583 4.992 3.178 -0.0287 -0.5647 -0.3385 + 107ALA HB1 1584 2.658 4.922 3.215 0.2114 0.3927 1.0452 + 107ALA HB2 1585 2.625 5.044 3.092 -0.0162 0.9090 0.5313 + 107ALA HB3 1586 2.560 5.052 3.266 2.1845 -2.1781 1.4670 + 107ALA C 1587 2.487 4.821 3.010 -0.9065 -0.4753 -0.3092 + 107ALA O 1588 2.466 4.875 2.905 0.4743 0.3040 -0.1292 + 108TRP N 1589 2.518 4.690 3.015 -0.0449 -0.6174 0.4319 + 108TRP H 1590 2.519 4.642 3.104 -1.2319 0.3423 0.9924 + 108TRP CA 1591 2.521 4.605 2.894 0.1709 -0.7293 0.0414 + 108TRP HA 1592 2.523 4.669 2.806 3.0225 0.4563 0.8661 + 108TRP CB 1593 2.658 4.534 2.889 0.1898 0.1069 -0.0304 + 108TRP HB1 1594 2.639 4.457 2.815 -0.7420 0.6434 -0.3607 + 108TRP HB2 1595 2.675 4.489 2.987 1.8520 0.3001 -0.1969 + 108TRP CG 1596 2.772 4.631 2.861 0.6790 0.1636 -0.6435 + 108TRP CD1 1597 2.813 4.672 2.738 0.1636 -0.4532 -0.5649 + 108TRP HD1 1598 2.764 4.659 2.642 0.9333 -0.1602 -1.0040 + 108TRP NE1 1599 2.924 4.752 2.758 0.1128 -0.0946 -0.4936 + 108TRP HE1 1600 2.968 4.799 2.680 2.6607 0.1242 0.9779 + 108TRP CE2 1601 2.950 4.781 2.893 -0.2156 0.5829 -0.4312 + 108TRP CZ2 1602 3.055 4.854 2.956 0.0080 0.9829 -0.2119 + 108TRP HZ2 1603 3.124 4.915 2.901 0.6814 2.0669 1.7352 + 108TRP CH2 1604 3.065 4.832 3.092 0.0118 0.3552 -0.6122 + 108TRP HH2 1605 3.147 4.871 3.150 -0.8734 3.3035 -1.1894 + 108TRP CZ3 1606 2.967 4.764 3.174 0.4005 -0.4510 0.2117 + 108TRP HZ3 1607 2.965 4.758 3.282 0.7487 0.3062 0.2687 + 108TRP CE3 1608 2.866 4.698 3.104 -0.1313 -0.1444 -0.3309 + 108TRP HE3 1609 2.802 4.633 3.162 0.7159 -0.7694 -0.0684 + 108TRP CD2 1610 2.863 4.693 2.960 -0.4359 -0.3391 -0.5692 + 108TRP C 1611 2.406 4.509 2.886 0.2488 -0.8671 -0.2919 + 108TRP O 1612 2.388 4.426 2.976 -0.0060 0.2921 0.0954 + 109VAL N 1613 2.324 4.538 2.781 -0.2180 0.0475 0.1997 + 109VAL H 1614 2.355 4.595 2.703 0.8358 0.2421 0.7378 + 109VAL CA 1615 2.205 4.457 2.758 -0.3976 0.4214 -0.6333 + 109VAL HA 1616 2.155 4.462 2.855 -1.2067 -0.1557 -1.0017 + 109VAL CB 1617 2.118 4.525 2.651 0.1494 -1.2076 0.0426 + 109VAL HB 1618 2.105 4.629 2.680 -1.0209 -0.0981 -3.8269 + 109VAL CG1 1619 2.186 4.514 2.514 0.7641 -0.2496 0.3122 + 109VAL HG11 1620 2.278 4.571 2.499 1.3669 -1.4284 -0.6355 + 109VAL HG12 1621 2.206 4.409 2.492 2.9455 0.6630 -3.0713 + 109VAL HG13 1622 2.108 4.545 2.445 1.4427 -1.5411 -1.1015 + 109VAL CG2 1623 1.980 4.466 2.622 0.5944 -0.2386 -0.7092 + 109VAL HG21 1624 1.920 4.456 2.712 0.9333 1.0794 -0.3169 + 109VAL HG22 1625 1.920 4.534 2.563 0.4864 -0.7066 -1.1427 + 109VAL HG23 1626 1.995 4.366 2.580 -0.1775 -0.5237 -0.3339 + 109VAL C 1627 2.235 4.314 2.731 0.1317 -0.2372 -0.4223 + 109VAL O 1628 2.170 4.233 2.801 -0.0380 0.2634 -0.0812 + 110ALA N 1629 2.326 4.274 2.644 -0.0067 0.2398 -0.3763 + 110ALA H 1630 2.373 4.346 2.591 1.3741 0.1452 0.6664 + 110ALA CA 1631 2.364 4.131 2.644 0.5331 0.7970 -0.2909 + 110ALA HA 1632 2.271 4.076 2.630 -0.2323 2.2069 -1.0497 + 110ALA CB 1633 2.450 4.093 2.522 -0.4549 0.2941 0.3501 + 110ALA HB1 1634 2.557 4.097 2.543 -0.3870 -0.1611 0.0925 + 110ALA HB2 1635 2.430 3.991 2.490 1.7362 -0.3827 0.9129 + 110ALA HB3 1636 2.418 4.156 2.439 -1.0674 -1.0599 -0.4823 + 110ALA C 1637 2.422 4.079 2.776 -0.7984 0.2489 -0.1202 + 110ALA O 1638 2.403 3.960 2.801 0.6237 0.0502 0.4407 + 111TRP N 1639 2.483 4.162 2.864 0.6982 -0.2809 0.5072 + 111TRP H 1640 2.473 4.260 2.842 -0.8438 -0.2265 1.3159 + 111TRP CA 1641 2.526 4.112 2.993 0.0994 0.0196 0.2648 + 111TRP HA 1642 2.578 4.018 2.977 0.8303 0.2979 0.9275 + 111TRP CB 1643 2.626 4.199 3.066 0.8721 -0.2844 0.9992 + 111TRP HB1 1644 2.577 4.297 3.068 -0.1396 -0.6613 -1.3556 + 111TRP HB2 1645 2.712 4.203 2.999 1.0365 -0.2176 1.2135 + 111TRP CG 1646 2.681 4.158 3.195 -0.4475 0.0301 -0.1594 + 111TRP CD1 1647 2.785 4.082 3.222 -0.2588 -0.2532 -0.3013 + 111TRP HD1 1648 2.854 4.035 3.153 -0.2331 -0.4848 -0.1149 + 111TRP NE1 1649 2.797 4.057 3.357 0.0126 -0.4567 0.1690 + 111TRP HE1 1650 2.880 4.014 3.396 0.1744 -2.3057 -2.0075 + 111TRP CE2 1651 2.699 4.121 3.427 -0.3723 0.6514 0.4488 + 111TRP CZ2 1652 2.665 4.128 3.563 0.1314 0.5932 0.4438 + 111TRP HZ2 1653 2.728 4.077 3.635 0.0040 0.1218 0.2273 + 111TRP CH2 1654 2.542 4.194 3.601 -0.1296 0.2500 -0.4411 + 111TRP HH2 1655 2.513 4.203 3.704 -1.8283 2.6805 -1.0481 + 111TRP CZ3 1656 2.464 4.260 3.504 -0.7281 -0.0287 0.1336 + 111TRP HZ3 1657 2.378 4.321 3.531 1.0467 3.2659 -1.0255 + 111TRP CE3 1658 2.501 4.249 3.369 -0.0208 0.2199 -0.2053 + 111TRP HE3 1659 2.448 4.294 3.287 2.7258 0.4269 -2.0190 + 111TRP CD2 1660 2.617 4.179 3.327 -0.2569 0.0447 0.3187 + 111TRP C 1661 2.405 4.072 3.079 0.3104 -0.1888 0.2228 + 111TRP O 1662 2.410 3.972 3.148 0.5240 -0.2950 0.0014 + 112ARG N 1663 2.293 4.151 3.076 0.1498 -0.2417 0.2593 + 112ARG H 1664 2.292 4.231 3.014 1.6540 -1.3209 -1.2896 + 112ARG CA 1665 2.171 4.121 3.157 -0.0117 -0.0622 -0.0583 + 112ARG HA 1666 2.198 4.107 3.262 0.5963 2.4816 0.1767 + 112ARG CB 1667 2.075 4.237 3.157 -0.2420 -0.0296 -0.3777 + 112ARG HB1 1668 1.988 4.206 3.215 1.2274 -1.9541 0.9191 + 112ARG HB2 1669 2.034 4.247 3.056 0.1971 2.1469 -0.3971 + 112ARG CG 1670 2.133 4.363 3.222 0.6113 -0.7203 0.3728 + 112ARG HG1 1671 2.206 4.410 3.156 -0.9633 1.2644 -0.0816 + 112ARG HG2 1672 2.183 4.336 3.315 0.5079 -0.8558 0.3885 + 112ARG CD 1673 2.025 4.466 3.249 -0.7315 0.0826 -0.7970 + 112ARG HD1 1674 2.073 4.562 3.269 -0.0990 -0.4471 0.3339 + 112ARG HD2 1675 1.974 4.433 3.340 1.2912 -0.9529 0.0269 + 112ARG NE 1676 1.927 4.480 3.139 0.1382 -0.6140 0.0532 + 112ARG HE 1677 1.845 4.422 3.142 -0.8656 0.7094 -0.7968 + 112ARG CZ 1678 1.935 4.571 3.044 0.2512 0.7591 0.3290 + 112ARG NH1 1679 2.034 4.650 3.018 0.1517 -0.4545 0.2275 + 112ARG HH11 1680 2.117 4.649 3.076 -0.7234 -0.1726 1.5093 + 112ARG HH12 1681 2.042 4.702 2.931 2.8222 -0.0325 0.6193 + 112ARG NH2 1682 1.831 4.569 2.960 0.0957 -0.6669 -0.3691 + 112ARG HH21 1683 1.742 4.531 2.987 -1.5209 -1.4933 -5.6971 + 112ARG HH22 1684 1.818 4.638 2.887 -1.7065 -1.5396 -0.9345 + 112ARG C 1685 2.109 3.992 3.096 0.2171 0.1403 0.5654 + 112ARG O 1686 2.051 3.915 3.175 0.2206 0.2154 0.7734 + 113ASN N 1687 2.120 3.971 2.963 -0.1873 -0.8934 -0.7121 + 113ASN H 1688 2.172 4.039 2.910 -0.9156 -1.4968 -2.2602 + 113ASN CA 1689 2.044 3.866 2.898 -0.2070 -0.3273 -1.4050 + 113ASN HA 1690 1.949 3.853 2.951 1.2099 -0.2182 1.3828 + 113ASN CB 1691 2.016 3.918 2.757 -0.1096 -0.6185 -0.0864 + 113ASN HB1 1692 1.960 3.848 2.695 -1.0913 0.0834 -0.0243 + 113ASN HB2 1693 2.108 3.946 2.706 0.0627 0.0395 0.5724 + 113ASN CG 1694 1.920 4.036 2.759 -0.2767 -0.3549 -0.0006 + 113ASN OD1 1695 1.857 4.073 2.857 0.0609 0.2646 0.0043 + 113ASN ND2 1696 1.908 4.094 2.640 -0.2802 -0.2480 0.1853 + 113ASN HD21 1697 1.950 4.047 2.561 -1.3387 -1.2534 0.1829 + 113ASN HD22 1698 1.836 4.163 2.626 -0.4495 -0.5346 -0.4121 + 113ASN C 1699 2.124 3.740 2.893 0.0241 -0.5611 -0.4184 + 113ASN O 1700 2.067 3.632 2.898 -0.4267 0.0409 0.6300 + 114ARG N 1701 2.253 3.748 2.859 0.1043 0.1313 0.4873 + 114ARG H 1702 2.290 3.837 2.829 -1.5578 0.8600 0.4958 + 114ARG CA 1703 2.336 3.628 2.831 -0.2029 0.6895 0.4066 + 114ARG HA 1704 2.270 3.541 2.834 0.8641 -0.1469 0.0851 + 114ARG CB 1705 2.382 3.631 2.684 0.1595 -0.0041 0.1598 + 114ARG HB1 1706 2.465 3.563 2.664 1.0262 1.2006 -0.5406 + 114ARG HB2 1707 2.415 3.729 2.648 -1.2181 -0.5791 -2.9845 + 114ARG CG 1708 2.257 3.603 2.604 -1.1408 0.0001 0.3212 + 114ARG HG1 1709 2.186 3.685 2.616 -0.3034 0.9605 -0.9477 + 114ARG HG2 1710 2.210 3.509 2.631 -0.5409 -0.4796 -0.2875 + 114ARG CD 1711 2.295 3.590 2.455 -0.0877 -0.1860 0.2975 + 114ARG HD1 1712 2.226 3.526 2.400 -0.2340 0.1567 0.0831 + 114ARG HD2 1713 2.394 3.546 2.451 -0.3754 -0.7872 -0.4442 + 114ARG NE 1714 2.301 3.724 2.394 -0.0571 -0.5886 0.0963 + 114ARG HE 1715 2.292 3.805 2.453 -1.8278 -2.0754 2.0614 + 114ARG CZ 1716 2.323 3.734 2.262 -0.1725 -0.5644 -0.0852 + 114ARG NH1 1717 2.340 3.634 2.188 0.0275 0.3727 0.5058 + 114ARG HH11 1718 2.317 3.541 2.219 -0.3861 0.9565 2.0081 + 114ARG HH12 1719 2.361 3.645 2.090 -0.4336 -2.0564 0.0677 + 114ARG NH2 1720 2.329 3.855 2.213 0.2339 0.1788 -0.2934 + 114ARG HH21 1721 2.307 3.939 2.263 -1.1361 -0.0897 -0.4056 + 114ARG HH22 1722 2.366 3.871 2.121 1.2963 1.3772 0.3193 + 114ARG C 1723 2.439 3.594 2.936 1.0500 0.0541 -0.6408 + 114ARG O 1724 2.504 3.489 2.916 -0.1878 -0.0334 -0.2206 + 115CYS N 1725 2.466 3.679 3.039 0.8317 0.3050 0.1414 + 115CYS H 1726 2.418 3.767 3.034 -2.3208 -1.2086 1.1034 + 115CYS CA 1727 2.579 3.661 3.140 0.5545 -0.3002 -0.4885 + 115CYS HA 1728 2.627 3.568 3.108 1.5191 0.1119 -0.2331 + 115CYS CB 1729 2.682 3.773 3.127 0.6732 -0.4980 -0.1027 + 115CYS HB1 1730 2.763 3.758 3.198 1.8939 -1.5850 -1.6586 + 115CYS HB2 1731 2.636 3.871 3.142 -0.0341 -1.0096 1.2665 + 115CYS SG 1732 2.753 3.778 2.958 0.4088 0.0174 -0.2445 + 115CYS C 1733 2.518 3.649 3.281 0.0334 -0.5736 -0.2022 + 115CYS O 1734 2.557 3.560 3.358 0.1002 0.3288 0.1336 + 116LYS N 1735 2.436 3.745 3.320 -0.0743 0.1278 0.3165 + 116LYS H 1736 2.408 3.813 3.251 -2.5715 -0.6754 0.4502 + 116LYS CA 1737 2.401 3.767 3.461 1.0212 0.2176 0.1959 + 116LYS HA 1738 2.486 3.791 3.525 1.7388 -0.6055 -0.4317 + 116LYS CB 1739 2.298 3.881 3.467 -0.1502 0.2872 0.3894 + 116LYS HB1 1740 2.204 3.858 3.418 -0.6807 -1.0051 1.9451 + 116LYS HB2 1741 2.346 3.965 3.417 2.7558 -2.4929 -1.9412 + 116LYS CG 1742 2.260 3.924 3.610 0.1125 0.5344 0.2865 + 116LYS HG1 1743 2.348 3.949 3.669 0.3980 -1.2595 0.6650 + 116LYS HG2 1744 2.214 3.841 3.663 -0.3107 0.5149 -0.0992 + 116LYS CD 1745 2.156 4.042 3.605 0.2284 -0.1248 -0.8657 + 116LYS HD1 1746 2.063 3.995 3.573 -1.0344 0.8068 1.2015 + 116LYS HD2 1747 2.187 4.113 3.529 1.6577 -0.1742 -0.3698 + 116LYS CE 1748 2.130 4.105 3.747 -0.5470 -0.4456 0.5389 + 116LYS HE1 1749 2.210 4.114 3.821 -0.9140 -1.2656 1.0489 + 116LYS HE2 1750 2.053 4.049 3.799 -0.3178 0.2202 1.6356 + 116LYS NZ 1751 2.060 4.231 3.730 -0.0629 -0.1981 0.1356 + 116LYS HZ1 1752 2.100 4.297 3.664 -1.6376 0.0977 -0.5630 + 116LYS HZ2 1753 1.966 4.206 3.705 0.0661 -0.3734 -0.1769 + 116LYS HZ3 1754 2.058 4.275 3.821 1.0096 1.2505 -0.4904 + 116LYS C 1755 2.330 3.645 3.522 0.0863 0.2432 -0.3512 + 116LYS O 1756 2.247 3.587 3.452 0.1008 0.7432 0.5785 + 117GLY N 1757 2.383 3.609 3.642 0.7443 -0.5394 0.3273 + 117GLY H 1758 2.442 3.674 3.691 3.8554 -3.5506 0.9076 + 117GLY CA 1759 2.355 3.484 3.713 0.6840 0.5506 -0.2844 + 117GLY HA1 1760 2.248 3.465 3.704 0.8358 -2.0551 2.0532 + 117GLY HA2 1761 2.389 3.495 3.816 -0.0558 -2.0218 0.2946 + 117GLY C 1762 2.430 3.356 3.667 -0.6013 -0.1432 0.0935 + 117GLY O 1763 2.436 3.261 3.741 0.1195 -0.5906 0.7515 + 118THR N 1764 2.498 3.353 3.547 0.3115 0.2587 -0.3295 + 118THR H 1765 2.500 3.429 3.481 0.8732 -0.6702 -1.4109 + 118THR CA 1766 2.550 3.227 3.498 -0.5565 0.1314 0.4240 + 118THR HA 1767 2.482 3.151 3.534 -0.1158 -0.1801 0.6047 + 118THR CB 1768 2.550 3.227 3.343 0.2634 0.4441 0.5907 + 118THR HB 1769 2.553 3.124 3.306 -0.4672 1.0582 -1.2971 + 118THR CG2 1770 2.417 3.276 3.279 -0.7175 0.2387 -0.1517 + 118THR HG21 1771 2.436 3.282 3.172 0.7092 -0.7448 0.0142 + 118THR HG22 1772 2.340 3.203 3.302 -1.0276 0.0779 -1.6459 + 118THR HG23 1773 2.395 3.374 3.322 1.4161 0.3952 0.7434 + 118THR OG1 1774 2.661 3.294 3.291 -0.3615 -0.6368 0.2590 + 118THR HG1 1775 2.646 3.385 3.315 -2.3542 -0.9304 0.2598 + 118THR C 1776 2.690 3.196 3.551 0.1898 0.3603 0.0537 + 118THR O 1777 2.753 3.273 3.623 -0.0988 0.0351 -0.0831 + 119ASP N 1778 2.738 3.070 3.537 -0.2954 0.0838 0.6329 + 119ASP H 1779 2.679 2.997 3.500 0.5549 -1.1553 1.6249 + 119ASP CA 1780 2.883 3.032 3.558 -0.6405 -0.1403 0.3957 + 119ASP HA 1781 2.915 3.061 3.658 -2.1075 -2.4934 1.6477 + 119ASP CB 1782 2.890 2.877 3.552 -0.3693 -0.4562 -0.1777 + 119ASP HB1 1783 2.847 2.834 3.462 1.0649 1.4864 -1.9128 + 119ASP HB2 1784 2.836 2.832 3.635 1.7474 0.1824 1.6744 + 119ASP CG 1785 3.040 2.836 3.566 -0.0725 0.8597 -0.2874 + 119ASP OD1 1786 3.122 2.899 3.634 0.3200 -0.2464 -0.2037 + 119ASP OD2 1787 3.083 2.729 3.514 0.5779 0.1391 -0.0337 + 119ASP C 1788 2.970 3.108 3.452 0.2118 -0.4507 -0.1100 + 119ASP O 1789 3.026 3.048 3.361 0.2834 -0.4712 0.2133 + 120VAL N 1790 2.997 3.239 3.478 0.5008 -0.1603 0.2550 + 120VAL H 1791 2.936 3.278 3.548 1.4451 0.2410 0.8741 + 120VAL CA 1792 3.081 3.326 3.398 -0.4050 -0.1144 0.2516 + 120VAL HA 1793 3.052 3.321 3.293 0.8427 -0.8037 -0.0727 + 120VAL CB 1794 3.073 3.474 3.441 0.6490 -0.1212 -0.3180 + 120VAL HB 1795 3.147 3.526 3.380 -0.0081 1.3422 0.0732 + 120VAL CG1 1796 2.946 3.542 3.386 -0.0866 0.3377 -0.2746 + 120VAL HG11 1797 2.963 3.647 3.412 -1.6067 0.3991 0.5382 + 120VAL HG12 1798 2.943 3.541 3.277 0.1273 -0.9215 -0.2787 + 120VAL HG13 1799 2.856 3.497 3.426 0.3234 -0.4467 -0.2102 + 120VAL CG2 1800 3.097 3.497 3.592 -0.3510 -0.3159 -0.2217 + 120VAL HG21 1801 3.119 3.603 3.604 1.1390 -0.6365 0.1438 + 120VAL HG22 1802 3.002 3.483 3.642 -0.7140 1.6644 -0.3072 + 120VAL HG23 1803 3.177 3.434 3.632 0.7770 0.3912 -1.2745 + 120VAL C 1804 3.227 3.278 3.396 -0.0932 -0.0270 0.3404 + 120VAL O 1805 3.287 3.308 3.292 0.0924 0.3296 0.2626 + 121GLN N 1806 3.274 3.198 3.486 -0.0170 -0.1373 -0.1839 + 121GLN H 1807 3.219 3.174 3.567 0.2513 -2.7163 -0.7006 + 121GLN CA 1808 3.411 3.148 3.485 -0.3245 0.0749 -1.1425 + 121GLN HA 1809 3.474 3.234 3.466 0.6711 0.3231 2.5428 + 121GLN CB 1810 3.434 3.103 3.636 -0.1748 0.0693 0.9361 + 121GLN HB1 1811 3.367 3.025 3.672 -1.7096 1.8432 2.1291 + 121GLN HB2 1812 3.420 3.186 3.706 -0.9373 0.5462 0.2407 + 121GLN CG 1813 3.576 3.055 3.649 -0.3322 0.5697 0.5645 + 121GLN HG1 1814 3.646 3.115 3.591 -0.0169 -2.2513 -2.2007 + 121GLN HG2 1815 3.584 2.954 3.609 0.2713 -0.0048 2.0740 + 121GLN CD 1816 3.627 3.041 3.790 -0.3615 0.1452 -0.3434 + 121GLN OE1 1817 3.722 3.108 3.836 0.3478 0.3269 0.0756 + 121GLN NE2 1818 3.553 2.963 3.867 0.0751 0.2155 0.1204 + 121GLN HE21 1819 3.462 2.935 3.833 0.9848 -1.7062 -0.8700 + 121GLN HE22 1820 3.578 2.945 3.963 0.4557 -1.9322 -0.3336 + 121GLN C 1821 3.440 3.039 3.377 0.7933 -0.0268 0.2333 + 121GLN O 1822 3.559 3.025 3.343 0.2766 0.6368 -0.3480 + 122ALA N 1823 3.344 2.981 3.309 -0.0633 -0.8297 -0.1051 + 122ALA H 1824 3.247 2.994 3.336 -0.8077 -0.6033 -2.6144 + 122ALA CA 1825 3.365 2.886 3.198 0.6087 -0.5497 -0.2206 + 122ALA HA 1826 3.426 2.799 3.225 1.2270 -0.2517 -0.6354 + 122ALA CB 1827 3.226 2.851 3.150 -0.2449 -0.0434 0.3284 + 122ALA HB1 1828 3.236 2.783 3.065 -2.5428 -0.8048 0.5926 + 122ALA HB2 1829 3.174 2.796 3.229 -1.6442 2.0018 0.9019 + 122ALA HB3 1830 3.164 2.937 3.124 0.6580 0.2604 -0.9202 + 122ALA C 1831 3.432 2.963 3.078 0.1843 0.6474 -0.4547 + 122ALA O 1832 3.505 2.901 3.006 -0.2478 0.0460 -0.2906 + 123TRP N 1833 3.406 3.095 3.062 0.6180 0.0971 -0.0051 + 123TRP H 1834 3.334 3.129 3.124 1.1084 0.8368 0.1734 + 123TRP CA 1835 3.475 3.184 2.969 0.6534 -0.0795 0.0301 + 123TRP HA 1836 3.455 3.144 2.870 2.1409 0.2280 -0.4181 + 123TRP CB 1837 3.401 3.323 2.968 -0.6853 0.4954 -0.5267 + 123TRP HB1 1838 3.451 3.385 2.893 -0.8901 1.8635 0.4286 + 123TRP HB2 1839 3.397 3.367 3.068 1.8402 1.4713 -0.7740 + 123TRP CG 1840 3.261 3.302 2.921 -0.1531 -0.6931 -0.5033 + 123TRP CD1 1841 3.160 3.285 3.006 0.1424 -0.5312 -0.0353 + 123TRP HD1 1842 3.159 3.287 3.114 -1.2643 0.8782 -0.0329 + 123TRP NE1 1843 3.043 3.269 2.925 -0.4854 0.2514 -0.2871 + 123TRP HE1 1844 2.953 3.265 2.971 -0.4644 0.3754 -0.2345 + 123TRP CE2 1845 3.067 3.272 2.794 -0.6167 -0.1081 -0.0067 + 123TRP CZ2 1846 2.989 3.243 2.684 -0.3677 -0.4124 -0.0720 + 123TRP HZ2 1847 2.882 3.234 2.694 -0.5136 1.6929 0.7588 + 123TRP CH2 1848 3.041 3.251 2.556 -0.8328 0.0766 0.1069 + 123TRP HH2 1849 2.986 3.223 2.467 0.2031 -0.1400 -0.4879 + 123TRP CZ3 1850 3.181 3.262 2.534 -0.2462 0.2941 0.9745 + 123TRP HZ3 1851 3.235 3.265 2.441 1.4904 -1.3169 1.8568 + 123TRP CE3 1852 3.263 3.279 2.651 -0.2924 0.5169 -0.6002 + 123TRP HE3 1853 3.368 3.301 2.637 -0.1911 0.0316 -0.6322 + 123TRP CD2 1854 3.205 3.289 2.786 -0.2061 0.1147 -0.5511 + 123TRP C 1855 3.622 3.202 2.990 0.2185 -0.0350 0.3420 + 123TRP O 1856 3.690 3.236 2.898 0.0146 -0.3168 -0.1431 + 124ILE N 1857 3.681 3.167 3.109 -0.3458 -0.0374 0.1736 + 124ILE H 1858 3.618 3.144 3.184 -1.6697 2.9287 0.1112 + 124ILE CA 1859 3.820 3.179 3.142 0.0940 -0.4588 -0.2586 + 124ILE HA 1860 3.880 3.206 3.056 1.3136 -1.7606 0.1434 + 124ILE CB 1861 3.854 3.285 3.248 0.3683 -0.2583 1.3827 + 124ILE HB 1862 3.963 3.284 3.259 0.4526 0.0846 0.6851 + 124ILE CG2 1863 3.822 3.424 3.189 -0.1585 0.6205 -0.5175 + 124ILE HG21 1864 3.871 3.435 3.093 3.0106 0.7830 0.9916 + 124ILE HG22 1865 3.715 3.436 3.170 0.0720 0.6803 -1.8256 + 124ILE HG23 1866 3.866 3.498 3.256 -1.1117 0.9875 -0.2745 + 124ILE CG1 1867 3.775 3.253 3.375 -0.2715 -0.0888 -0.7187 + 124ILE HG11 1868 3.805 3.152 3.403 -0.2265 -0.0151 -0.4906 + 124ILE HG12 1869 3.667 3.262 3.363 -0.4319 1.7176 1.3431 + 124ILE CD 1870 3.810 3.352 3.490 -0.0344 0.2187 -0.1477 + 124ILE HD1 1871 3.766 3.451 3.480 -1.9659 -0.1692 3.2165 + 124ILE HD2 1872 3.770 3.319 3.586 -1.7483 -0.1242 -0.9502 + 124ILE HD3 1873 3.919 3.357 3.492 0.1228 -2.0667 0.1508 + 124ILE C 1874 3.884 3.045 3.171 0.0597 0.1369 -0.0982 + 124ILE O 1875 4.005 3.036 3.199 -0.1123 -0.3783 0.1698 + 125ARG N 1876 3.808 2.934 3.168 0.2850 0.1801 0.3851 + 125ARG H 1877 3.707 2.934 3.174 -0.1040 -1.4044 -3.3738 + 125ARG CA 1878 3.865 2.793 3.182 0.4482 -0.6189 -1.0728 + 125ARG HA 1879 3.934 2.788 3.266 -0.6688 0.0314 -0.0821 + 125ARG CB 1880 3.759 2.696 3.224 -0.3511 -0.0562 0.4008 + 125ARG HB1 1881 3.806 2.598 3.227 0.2496 0.2168 0.0768 + 125ARG HB2 1882 3.675 2.696 3.154 -1.2791 -1.5255 1.4515 + 125ARG CG 1883 3.706 2.721 3.363 -0.5705 0.1033 -0.6550 + 125ARG HG1 1884 3.645 2.812 3.356 -0.0927 0.3652 -1.5408 + 125ARG HG2 1885 3.789 2.730 3.434 -0.6071 -1.4751 -0.3827 + 125ARG CD 1886 3.613 2.612 3.406 -0.3494 0.7299 0.0703 + 125ARG HD1 1887 3.665 2.516 3.409 -0.5852 0.5953 -0.1243 + 125ARG HD2 1888 3.539 2.591 3.328 -0.4399 1.8070 -0.1510 + 125ARG NE 1889 3.545 2.644 3.534 -0.3544 0.3302 0.3520 + 125ARG HE 1890 3.603 2.653 3.616 3.4536 -0.8761 -1.9210 + 125ARG CZ 1891 3.416 2.677 3.541 -0.3971 -0.4861 0.1155 + 125ARG NH1 1892 3.325 2.648 3.455 0.7312 0.0863 -0.6486 + 125ARG HH11 1893 3.355 2.572 3.395 3.8795 0.8269 -0.2183 + 125ARG HH12 1894 3.231 2.647 3.490 1.5623 -2.1780 1.8451 + 125ARG NH2 1895 3.375 2.736 3.653 0.4487 -0.4532 0.2651 + 125ARG HH21 1896 3.447 2.749 3.722 1.3971 2.2788 -1.0806 + 125ARG HH22 1897 3.282 2.774 3.662 1.3158 1.9205 -0.0583 + 125ARG C 1898 3.944 2.744 3.058 0.4173 0.1329 -0.2394 + 125ARG O 1899 3.904 2.776 2.947 0.3072 0.0589 -0.1534 + 126GLY N 1900 4.052 2.669 3.075 0.2988 0.0662 -0.2567 + 126GLY H 1901 4.074 2.639 3.168 0.1968 0.8105 0.0180 + 126GLY CA 1902 4.140 2.622 2.969 0.5148 0.1242 -0.0609 + 126GLY HA1 1903 4.074 2.593 2.887 2.2240 2.2377 -2.3687 + 126GLY HA2 1904 4.211 2.544 2.994 1.9671 1.6065 0.6160 + 126GLY C 1905 4.232 2.736 2.918 -0.4909 -0.5053 0.1704 + 126GLY O 1906 4.303 2.713 2.822 0.1508 -0.7530 -0.4625 + 127CYS N 1907 4.229 2.855 2.987 -0.6452 -0.4044 0.2281 + 127CYS H 1908 4.185 2.841 3.077 -0.0466 -1.7008 0.3453 + 127CYS CA 1909 4.324 2.969 2.962 0.0418 -0.4410 -0.2724 + 127CYS HA 1910 4.372 2.953 2.866 -0.7843 1.4447 -1.0411 + 127CYS CB 1911 4.239 3.096 2.952 0.6228 0.4006 -0.4069 + 127CYS HB1 1912 4.305 3.176 2.917 1.1074 0.5604 0.8285 + 127CYS HB2 1913 4.203 3.123 3.051 -1.6103 -2.6504 -0.2544 + 127CYS SG 1914 4.109 3.104 2.840 -0.1101 0.2532 -0.3667 + 127CYS C 1915 4.435 2.984 3.071 -0.5357 0.4841 0.2738 + 127CYS O 1916 4.401 2.976 3.189 -0.0719 0.6171 -0.2288 + 128ARG N 1917 4.561 3.006 3.029 -0.3929 0.4098 0.0006 + 128ARG H 1918 4.578 2.994 2.930 1.3624 3.5900 -0.2266 + 128ARG CA 1919 4.673 3.040 3.117 0.1125 0.9751 -0.0085 + 128ARG HA 1920 4.662 2.994 3.215 2.2377 -1.1729 -0.6728 + 128ARG CB 1921 4.796 2.977 3.049 -0.8835 -0.4270 0.4813 + 128ARG HB1 1922 4.885 3.038 3.066 -0.9648 0.7186 -2.5414 + 128ARG HB2 1923 4.783 2.993 2.942 -2.3525 -0.2596 0.6620 + 128ARG CG 1924 4.808 2.831 3.083 -0.7308 0.1181 0.6398 + 128ARG HG1 1925 4.875 2.783 3.011 -2.0712 -0.7953 -0.0376 + 128ARG HG2 1926 4.717 2.776 3.059 0.2652 -1.6746 0.7600 + 128ARG CD 1927 4.857 2.801 3.232 -0.1218 0.5295 -0.1212 + 128ARG HD1 1928 4.819 2.701 3.250 0.1145 0.5245 0.3582 + 128ARG HD2 1929 4.794 2.854 3.304 0.1011 -0.3832 0.7635 + 128ARG NE 1930 5.005 2.824 3.250 -0.2519 -0.4650 0.0292 + 128ARG HE 1931 5.058 2.745 3.219 1.1291 1.0860 -1.8491 + 128ARG CZ 1932 5.062 2.924 3.309 1.0954 -0.3939 -0.5830 + 128ARG NH1 1933 5.001 3.022 3.368 -1.0261 -0.3300 -0.6071 + 128ARG HH11 1934 4.901 3.029 3.377 -1.0047 -0.7350 -0.0600 + 128ARG HH12 1935 5.050 3.105 3.399 0.0260 0.6378 -4.3558 + 128ARG NH2 1936 5.193 2.931 3.319 -0.1349 0.3167 -0.4026 + 128ARG HH21 1937 5.245 2.851 3.287 -0.3300 0.3471 -0.7981 + 128ARG HH22 1938 5.223 3.009 3.376 -1.5044 -0.1774 1.0951 + 128ARG C 1939 4.685 3.190 3.128 0.2749 1.3360 -0.2928 + 128ARG O 1940 4.751 3.264 3.060 0.1467 -0.1492 -0.4627 + 129LEU N 1941 4.640 3.226 3.245 -0.0200 -0.4329 -1.0510 + 129LEU H 1942 4.582 3.154 3.287 -0.5711 -1.6221 -3.6623 + 129LEU CA 1943 4.629 3.362 3.300 0.2223 -0.0673 -0.2847 + 129LEU HA 1944 4.655 3.437 3.226 -1.0737 -0.0037 -0.6842 + 129LEU CB 1945 4.474 3.380 3.331 -0.6282 0.5256 -0.2276 + 129LEU HB1 1946 4.454 3.443 3.417 -1.6343 -0.4329 0.2763 + 129LEU HB2 1947 4.431 3.286 3.367 -0.6983 0.3997 -0.6421 + 129LEU CG 1948 4.397 3.456 3.219 0.3682 0.0075 -0.3522 + 129LEU HG 1949 4.435 3.558 3.217 -0.3429 0.2609 -1.6342 + 129LEU CD1 1950 4.428 3.419 3.073 -0.2452 -0.4264 -0.9579 + 129LEU HD11 1951 4.535 3.431 3.060 0.2775 -1.3939 1.8186 + 129LEU HD12 1952 4.382 3.321 3.062 -0.6250 -0.2718 -0.7975 + 129LEU HD13 1953 4.371 3.484 3.006 -0.4745 -0.0913 -0.4461 + 129LEU CD2 1954 4.245 3.436 3.239 -0.6139 -0.0332 0.1431 + 129LEU HD21 1955 4.197 3.457 3.143 1.5643 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5.165 0.9493 -2.0525 -0.6168 + 689SOL OW 3638 1.653 0.765 4.476 0.0297 -0.6432 0.5020 + 689SOL HW1 3639 1.727 0.816 4.443 0.0636 0.3572 2.0359 + 689SOL HW2 3640 1.624 0.812 4.554 -0.7099 -2.3240 1.2918 + 690SOL OW 3641 1.273 5.012 4.961 0.9525 0.1437 -0.6016 + 690SOL HW1 3642 1.327 4.995 5.039 0.7750 1.4127 -0.1690 + 690SOL HW2 3643 1.333 5.000 4.888 0.6638 -2.9488 -0.4452 + 691SOL OW 3644 5.434 2.978 2.509 0.2432 0.1026 0.0934 + 691SOL HW1 3645 5.449 3.042 2.579 0.8598 0.8658 -0.7164 + 691SOL HW2 3646 5.522 2.949 2.484 0.0428 0.0731 -0.5843 + 692SOL OW 3647 5.557 2.588 0.242 0.7278 0.1804 0.5521 + 692SOL HW1 3648 5.473 2.601 0.198 0.7618 -1.4103 -0.0276 + 692SOL HW2 3649 5.589 2.677 0.259 0.5210 0.8968 -2.2867 + 693SOL OW 3650 5.251 2.104 3.073 0.1559 0.2033 -0.0842 + 693SOL HW1 3651 5.171 2.090 3.124 0.4260 -1.0022 0.0400 + 693SOL HW2 3652 5.245 2.194 3.043 0.0494 1.0467 2.2344 + 694SOL OW 3653 1.992 2.024 2.475 -0.4919 0.6223 -0.2705 + 694SOL HW1 3654 1.989 2.108 2.429 0.3392 2.1471 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OW 3689 6.292 2.297 4.138 0.1099 0.0308 0.4012 + 706SOL HW1 3690 6.289 2.220 4.081 -0.4643 0.5191 -0.2462 + 706SOL HW2 3691 6.374 2.341 4.116 0.4133 -0.3592 0.7335 + 707SOL OW 3692 0.362 2.672 0.819 -0.5179 0.3062 -0.1532 + 707SOL HW1 3693 0.303 2.688 0.746 -1.0463 -1.0492 -0.0533 + 707SOL HW2 3694 0.447 2.656 0.778 0.0658 3.1715 -0.2549 + 708SOL OW 3695 6.522 1.771 5.269 -0.2537 -0.2507 -0.5713 + 708SOL HW1 3696 6.547 1.686 5.232 -0.5161 0.0521 -1.4619 + 708SOL HW2 3697 6.430 1.760 5.293 -0.0772 -0.4542 0.0372 + 709SOL OW 3698 2.889 6.045 0.768 0.4638 0.3018 -0.3993 + 709SOL HW1 3699 2.945 6.070 0.842 -2.2014 -1.3391 2.4021 + 709SOL HW2 3700 2.898 5.950 0.763 0.8882 0.4100 -2.5498 + 710SOL OW 3701 5.605 2.615 0.687 0.2206 0.2804 -0.0579 + 710SOL HW1 3702 5.661 2.613 0.764 3.4852 -0.6199 -2.2513 + 710SOL HW2 3703 5.588 2.708 0.671 0.1105 0.5044 1.2813 + 711SOL OW 3704 5.543 5.282 4.196 -0.2624 -0.7241 0.5240 + 711SOL HW1 3705 5.585 5.307 4.113 0.1039 1.4484 1.2817 + 711SOL HW2 3706 5.594 5.328 4.263 -1.2833 -1.4643 1.8494 + 712SOL OW 3707 0.323 4.276 0.680 0.3452 -0.2647 0.1163 + 712SOL HW1 3708 0.328 4.194 0.728 -1.2455 -0.7162 -0.4235 + 712SOL HW2 3709 0.295 4.251 0.592 -1.8339 0.9563 0.3879 + 713SOL OW 3710 0.120 1.272 1.741 -0.1405 -0.5840 -0.4499 + 713SOL HW1 3711 0.150 1.362 1.739 0.6363 -0.7679 1.0819 + 713SOL HW2 3712 0.199 1.220 1.729 -0.6843 -1.0995 -2.1428 + 714SOL OW 3713 0.690 2.156 4.183 -0.3310 0.4705 -0.2416 + 714SOL HW1 3714 0.731 2.069 4.186 -0.0473 0.5244 -1.7430 + 714SOL HW2 3715 0.596 2.138 4.179 -0.3399 0.2791 0.5644 + 715SOL OW 3716 3.754 3.029 5.185 -0.1583 -0.1719 -0.4692 + 715SOL HW1 3717 3.692 3.102 5.195 -1.8133 -1.2325 -2.2017 + 715SOL HW2 3718 3.706 2.965 5.132 1.2388 -2.5258 0.9511 + 716SOL OW 3719 0.175 1.091 4.333 0.2869 -0.2008 -0.2063 + 716SOL HW1 3720 0.267 1.117 4.337 -0.2146 1.6605 0.6331 + 716SOL HW2 3721 0.150 1.107 4.242 0.7631 -0.5901 -0.4081 + 717SOL OW 3722 2.466 5.485 3.305 0.6872 -0.3157 -0.4030 + 717SOL HW1 3723 2.478 5.570 3.262 0.7597 0.9120 1.8673 + 717SOL HW2 3724 2.500 5.499 3.393 -0.8466 -2.2156 0.5504 + 718SOL OW 3725 5.651 1.819 3.037 -0.2123 0.2604 -0.1544 + 718SOL HW1 3726 5.592 1.893 3.022 -1.0597 -0.1118 1.1390 + 718SOL HW2 3727 5.686 1.834 3.125 1.2876 0.2255 -0.7168 + 719SOL OW 3728 5.685 2.424 3.783 0.3496 0.6181 -0.6384 + 719SOL HW1 3729 5.675 2.502 3.837 1.1033 0.1144 0.2626 + 719SOL HW2 3730 5.684 2.457 3.693 1.1293 1.7263 -0.2644 + 720SOL OW 3731 5.922 2.715 5.081 -0.7410 0.4778 0.5065 + 720SOL HW1 3732 5.987 2.765 5.130 0.2220 -1.4443 1.3059 + 720SOL HW2 3733 5.924 2.627 5.121 -2.3855 -0.2035 -0.7767 + 721SOL OW 3734 2.170 3.231 0.544 0.6146 -0.3611 -0.0096 + 721SOL HW1 3735 2.158 3.137 0.534 0.3386 -0.2064 -1.2698 + 721SOL HW2 3736 2.105 3.257 0.610 -2.4862 -0.4030 -2.7917 + 722SOL OW 3737 0.807 2.329 2.850 -0.2925 0.2435 0.2961 + 722SOL HW1 3738 0.853 2.383 2.915 2.5947 -1.8293 0.1852 + 722SOL HW2 3739 0.763 2.261 2.902 0.7708 -0.5294 0.2256 + 723SOL OW 3740 3.181 3.370 0.096 0.7601 0.2488 -1.0477 + 723SOL HW1 3741 3.240 3.432 0.139 -0.7621 -0.0576 1.7295 + 723SOL HW2 3742 3.122 3.424 0.044 -0.6342 1.2993 1.4409 + 724SOL OW 3743 3.585 0.336 0.915 -0.6435 -0.2806 -0.0546 + 724SOL HW1 3744 3.590 0.241 0.923 -1.0216 -0.3414 -0.4588 + 724SOL HW2 3745 3.495 0.358 0.939 -1.0069 -0.1988 -1.3765 + 725SOL OW 3746 2.719 4.985 0.326 0.4690 -0.3220 0.2851 + 725SOL HW1 3747 2.730 4.907 0.271 0.3422 -0.5667 0.5995 + 725SOL HW2 3748 2.685 5.051 0.267 1.6921 -0.1462 -0.2590 + 726SOL OW 3749 6.013 4.922 3.377 0.3177 0.5869 0.2087 + 726SOL HW1 3750 5.981 4.906 3.466 -0.5426 -0.2069 -0.2312 + 726SOL HW2 3751 5.972 5.005 3.352 -0.9018 -0.1005 -0.1097 + 727SOL OW 3752 1.415 0.203 3.235 -0.0639 0.3733 -0.3637 + 727SOL HW1 3753 1.395 0.214 3.328 -0.4048 -1.3901 -0.1997 + 727SOL HW2 3754 1.382 0.283 3.194 -0.8066 0.7400 0.8945 + 728SOL OW 3755 4.962 2.986 1.601 -0.5600 0.0875 -0.3495 + 728SOL HW1 3756 4.997 2.910 1.555 -0.0456 0.1189 -0.0173 + 728SOL HW2 3757 4.951 2.957 1.692 -2.0521 -0.1339 -0.5626 + 729SOL OW 3758 2.595 1.237 0.240 -1.0273 0.4145 -0.5950 + 729SOL HW1 3759 2.507 1.275 0.248 -1.3519 0.1536 -2.3874 + 729SOL HW2 3760 2.595 1.198 0.152 1.5240 2.1269 -1.4575 + 730SOL OW 3761 3.426 6.087 3.499 0.0156 -0.2862 0.0730 + 730SOL HW1 3762 3.421 6.105 3.593 -0.2960 -2.2147 0.4615 + 730SOL HW2 3763 3.514 6.052 3.486 -0.0907 -0.4301 -0.2699 + 731SOL OW 3764 0.483 3.033 2.251 -0.0766 -0.6970 -0.0421 + 731SOL HW1 3765 0.472 3.062 2.161 0.0608 1.4486 0.5645 + 731SOL HW2 3766 0.397 3.000 2.277 -0.0446 -1.5925 -1.0118 + 732SOL OW 3767 4.099 5.618 4.125 -0.0383 1.1896 0.5500 + 732SOL HW1 3768 4.124 5.709 4.140 -1.2864 1.7185 -0.3603 + 732SOL HW2 3769 4.127 5.599 4.035 0.7224 0.4712 0.9211 + 733SOL OW 3770 1.062 0.883 4.544 -0.4973 -0.4576 0.1786 + 733SOL HW1 3771 0.984 0.851 4.498 -0.9871 -0.8236 1.2515 + 733SOL HW2 3772 1.081 0.817 4.610 1.8089 -1.2889 -1.1852 + 734SOL OW 3773 3.329 2.399 0.459 -0.7697 -0.1997 0.2443 + 734SOL HW1 3774 3.276 2.361 0.389 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0.2432 -0.6833 + 740SOL HW1 3792 1.121 3.919 3.484 -1.1165 0.7167 -0.6284 + 740SOL HW2 3793 1.203 4.004 3.389 1.0805 -0.8376 -0.1866 + 741SOL OW 3794 2.208 3.677 0.665 -0.7074 -0.3652 0.0992 + 741SOL HW1 3795 2.164 3.633 0.592 0.3456 -0.2156 -0.6608 + 741SOL HW2 3796 2.274 3.732 0.622 1.8451 -2.3405 1.2244 + 742SOL OW 3797 5.460 3.362 3.004 -0.1758 -0.3336 -0.0382 + 742SOL HW1 3798 5.434 3.420 2.932 -1.1815 0.1317 0.6774 + 742SOL HW2 3799 5.420 3.278 2.981 -0.9502 -0.0502 0.2198 + 743SOL OW 3800 6.035 4.857 4.245 -0.5790 -0.3126 -0.3658 + 743SOL HW1 3801 5.964 4.840 4.306 -1.7556 2.0065 -0.9729 + 743SOL HW2 3802 6.061 4.948 4.263 1.5222 -0.7654 -0.8781 + 744SOL OW 3803 2.855 2.237 0.386 -0.2139 -0.5683 0.6114 + 744SOL HW1 3804 2.938 2.278 0.361 -0.3769 0.4762 1.6820 + 744SOL HW2 3805 2.790 2.278 0.328 -0.3162 0.4439 1.4093 + 745SOL OW 3806 1.671 0.501 2.165 0.2497 0.0568 -0.3884 + 745SOL HW1 3807 1.696 0.513 2.257 -0.0533 2.2849 -0.5468 + 745SOL HW2 3808 1.722 0.567 2.118 -0.2607 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2.465 5.593 0.433 -0.5724 0.6229 -0.3144 + 763SOL HW1 3861 2.556 5.606 0.405 -0.9471 1.4751 -1.1950 + 763SOL HW2 3862 2.439 5.676 0.472 -1.3143 0.7639 -1.0747 + 764SOL OW 3863 5.554 4.938 4.478 -0.6361 -0.2889 -0.4172 + 764SOL HW1 3864 5.476 4.896 4.442 0.4675 -1.6231 -1.3573 + 764SOL HW2 3865 5.525 5.025 4.504 -2.6326 -1.0478 0.0738 + 765SOL OW 3866 4.808 4.344 0.638 -0.6224 0.2890 0.0019 + 765SOL HW1 3867 4.881 4.288 0.611 -0.3460 0.3884 0.5390 + 765SOL HW2 3868 4.776 4.382 0.556 -0.2078 0.0801 -0.2611 + 766SOL OW 3869 2.394 0.774 3.752 -0.2490 -0.0345 0.5345 + 766SOL HW1 3870 2.400 0.853 3.806 1.2927 0.6743 -0.6023 + 766SOL HW2 3871 2.349 0.802 3.673 -0.5956 -0.5391 0.5503 + 767SOL OW 3872 1.123 0.451 0.719 -0.0216 0.2265 -0.6761 + 767SOL HW1 3873 1.080 0.378 0.764 1.0549 0.5178 0.9046 + 767SOL HW2 3874 1.082 0.453 0.633 -1.8155 -0.6897 0.0942 + 768SOL OW 3875 5.611 2.910 0.705 -0.3316 -0.0350 -0.0293 + 768SOL HW1 3876 5.690 2.934 0.752 -0.1153 -0.2407 -0.2835 + 768SOL HW2 3877 5.539 2.934 0.763 -0.0630 -0.3540 0.4383 + 769SOL OW 3878 1.709 0.968 1.066 -0.1579 -0.5624 0.4344 + 769SOL HW1 3879 1.774 1.024 1.024 -0.0086 -0.8831 0.2312 + 769SOL HW2 3880 1.669 1.024 1.133 0.0365 -0.2368 0.2838 + 770SOL OW 3881 5.165 4.968 4.883 0.4451 0.5121 0.1677 + 770SOL HW1 3882 5.209 5.050 4.908 -0.6197 1.6238 -1.4331 + 770SOL HW2 3883 5.212 4.900 4.932 2.6459 1.8511 0.0707 + 771SOL OW 3884 2.526 2.292 1.252 0.3516 0.6344 -0.1816 + 771SOL HW1 3885 2.435 2.301 1.224 -0.0413 -0.6938 0.5911 + 771SOL HW2 3886 2.543 2.370 1.305 -0.6777 0.3909 0.5397 + 772SOL OW 3887 5.819 4.893 4.425 1.1959 0.1490 0.5931 + 772SOL HW1 3888 5.730 4.880 4.457 0.8401 1.3329 0.1379 + 772SOL HW2 3889 5.863 4.942 4.494 0.7802 1.6401 -0.1575 + 773SOL OW 3890 2.829 3.158 5.231 0.2556 -0.6079 0.1856 + 773SOL HW1 3891 2.837 3.068 5.261 -1.6616 -0.8282 0.1584 + 773SOL HW2 3892 2.757 3.156 5.168 -1.3608 1.3186 1.8571 + 774SOL OW 3893 5.843 6.107 3.439 -0.1157 -0.2251 -0.3388 + 774SOL HW1 3894 5.773 6.059 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797SOL HW1 3963 4.493 5.303 5.260 -0.0232 -0.1983 0.2834 + 797SOL HW2 3964 4.593 5.199 5.213 0.3456 0.0149 0.5920 + 798SOL OW 3965 0.101 1.455 1.408 -0.0993 -0.3445 -0.1767 + 798SOL HW1 3966 0.158 1.471 1.333 0.6153 -0.8064 0.2586 + 798SOL HW2 3967 0.160 1.427 1.478 -0.4102 2.4902 1.3570 + 799SOL OW 3968 0.234 4.193 4.963 -0.0604 0.1972 0.1567 + 799SOL HW1 3969 0.140 4.198 4.981 -0.7982 -1.3749 -2.6783 + 799SOL HW2 3970 0.272 4.264 5.016 -2.7925 0.8355 1.4518 + 800SOL OW 3971 1.738 0.606 5.195 0.3249 -0.1700 0.0378 + 800SOL HW1 3972 1.762 0.698 5.204 -0.4038 0.0949 -0.5871 + 800SOL HW2 3973 1.801 0.570 5.132 0.4747 -0.0462 0.1167 + 801SOL OW 3974 3.286 3.659 0.683 0.3821 -0.2909 0.8985 + 801SOL HW1 3975 3.327 3.676 0.767 -1.3499 0.1643 1.6996 + 801SOL HW2 3976 3.203 3.706 0.687 -1.0176 -2.5477 0.0619 + 802SOL OW 3977 0.600 1.964 0.031 0.5914 -0.0305 -0.1429 + 802SOL HW1 3978 0.679 1.999 0.073 0.9694 0.2127 -1.0377 + 802SOL HW2 3979 0.618 1.870 0.024 1.4224 0.2151 -1.6130 + 803SOL OW 3980 0.636 1.784 2.319 0.0712 -0.3487 0.5595 + 803SOL HW1 3981 0.684 1.865 2.332 3.1461 -2.1367 1.4413 + 803SOL HW2 3982 0.544 1.808 2.332 0.6984 3.1506 -0.4573 + 804SOL OW 3983 2.537 1.695 4.897 0.3775 0.3351 -0.1476 + 804SOL HW1 3984 2.624 1.673 4.865 0.7925 0.8586 0.5931 + 804SOL HW2 3985 2.477 1.659 4.831 1.2091 1.8275 -1.8104 + 805SOL OW 3986 1.190 0.774 2.246 -0.0478 -0.7878 0.6816 + 805SOL HW1 3987 1.245 0.804 2.318 -0.2208 -0.4337 0.6708 + 805SOL HW2 3988 1.110 0.827 2.254 0.5589 0.4254 -0.7364 + 806SOL OW 3989 0.663 1.316 0.801 0.8010 -0.4395 0.6110 + 806SOL HW1 3990 0.745 1.318 0.850 1.1801 -1.3789 0.0471 + 806SOL HW2 3991 0.639 1.223 0.798 1.5284 -0.6295 -2.1238 + 807SOL OW 3992 5.736 1.336 0.830 0.5162 0.0881 -0.0361 + 807SOL HW1 3993 5.670 1.330 0.761 -0.8828 -1.6272 1.3477 + 807SOL HW2 3994 5.790 1.258 0.819 -0.1269 -0.5442 1.1718 + 808SOL OW 3995 3.132 3.393 0.715 0.6125 -0.4117 0.1202 + 808SOL HW1 3996 3.172 3.449 0.649 0.1406 0.1082 0.2680 + 808SOL HW2 3997 3.181 3.311 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5.010 3.131 -0.1431 -0.0574 0.2744 + 1436SOL HW1 5880 5.477 4.986 3.205 0.4331 0.7094 0.1123 + 1436SOL HW2 5881 5.482 5.050 3.068 -0.3620 -1.9904 -1.2610 + 1437SOL OW 5882 5.158 5.096 1.602 -0.3719 0.2460 -0.0256 + 1437SOL HW1 5883 5.125 5.162 1.663 -0.0504 -0.7346 1.2523 + 1437SOL HW2 5884 5.157 5.015 1.652 0.4013 -0.4943 -1.1743 + 1438SOL OW 5885 6.285 3.814 1.422 -0.2080 0.2922 0.5254 + 1438SOL HW1 5886 6.322 3.772 1.345 -0.0527 0.8464 0.2965 + 1438SOL HW2 5887 6.210 3.758 1.445 -1.0209 0.7930 -0.7722 + 1439SOL OW 5888 6.482 2.297 1.207 0.2944 -0.4328 0.2666 + 1439SOL HW1 5889 6.562 2.327 1.250 1.0869 0.1113 -1.4963 + 1439SOL HW2 5890 6.496 2.204 1.191 0.5314 -0.3508 0.0132 + 1440SOL OW 5891 0.084 4.710 1.105 -0.2930 -0.1299 -0.3757 + 1440SOL HW1 5892 0.145 4.645 1.072 1.2635 1.2837 -0.3938 + 1440SOL HW2 5893 0.115 4.793 1.070 -2.2556 0.6461 -0.4007 + 1441SOL OW 5894 2.897 3.763 4.518 0.1507 -0.1908 0.0283 + 1441SOL HW1 5895 2.932 3.783 4.605 -0.4698 -0.0378 0.2504 + 1441SOL HW2 5896 2.803 3.751 4.533 0.0321 -0.0981 -0.6346 + 1442SOL OW 5897 0.972 3.332 1.013 0.3131 -0.3484 0.1045 + 1442SOL HW1 5898 1.060 3.348 1.047 1.2650 -0.1457 -2.2931 + 1442SOL HW2 5899 0.983 3.263 0.948 -1.1974 0.0801 -0.6456 + 1443SOL OW 5900 2.572 0.269 4.916 -0.2263 0.6685 0.0760 + 1443SOL HW1 5901 2.501 0.233 4.863 -1.8380 0.0236 2.4804 + 1443SOL HW2 5902 2.557 0.364 4.916 0.7825 0.8642 -1.8750 + 1444SOL OW 5903 1.502 4.772 2.841 -0.2440 0.0658 0.1692 + 1444SOL HW1 5904 1.485 4.765 2.935 -0.2038 2.5185 0.4243 + 1444SOL HW2 5905 1.442 4.709 2.802 1.7652 -3.2169 1.8983 + 1445SOL OW 5906 0.239 2.985 0.642 0.0293 -0.2287 0.1092 + 1445SOL HW1 5907 0.265 2.945 0.559 1.3843 0.9237 -0.0542 + 1445SOL HW2 5908 0.314 2.970 0.700 -0.1755 0.5077 0.5756 + 1446SOL OW 5909 0.052 3.953 0.373 -1.4015 -0.3539 -0.2934 + 1446SOL HW1 5910 0.101 4.024 0.414 0.5515 -1.3409 -0.7876 + 1446SOL HW2 5911 0.022 3.989 0.290 0.2304 -0.2824 -0.8942 + 1447SOL OW 5912 3.411 3.739 1.202 0.2612 0.0370 -0.1387 + 1447SOL HW1 5913 3.403 3.785 1.286 -1.7964 1.0804 -0.8639 + 1447SOL HW2 5914 3.506 3.730 1.190 0.6304 0.6050 1.8798 + 1448SOL OW 5915 1.072 4.693 0.119 0.6806 -0.4710 -0.1906 + 1448SOL HW1 5916 0.996 4.663 0.169 -0.2269 -0.6031 -1.5935 + 1448SOL HW2 5917 1.056 4.786 0.106 0.8286 -0.4734 -0.3841 + 1449SOL OW 5918 1.716 2.420 5.135 0.3497 0.2136 -0.1640 + 1449SOL HW1 5919 1.773 2.463 5.199 0.5491 0.0703 -0.2415 + 1449SOL HW2 5920 1.764 2.428 5.052 0.7487 -0.8083 -0.0480 + 1450SOL OW 5921 1.530 2.554 4.595 -0.2364 0.1118 0.0139 + 1450SOL HW1 5922 1.603 2.524 4.541 0.4472 1.3075 0.2408 + 1450SOL HW2 5923 1.475 2.604 4.535 0.3494 1.1576 0.3241 + 1451SOL OW 5924 2.219 5.484 0.615 -0.3697 -0.8600 -0.3012 + 1451SOL HW1 5925 2.210 5.562 0.669 -0.3591 -1.2611 0.2884 + 1451SOL HW2 5926 2.281 5.509 0.546 0.1342 -0.5476 0.2577 + 1452SOL OW 5927 5.510 1.347 3.218 -0.2698 -0.0591 0.3906 + 1452SOL HW1 5928 5.521 1.357 3.312 4.5052 -1.7986 0.2756 + 1452SOL HW2 5929 5.567 1.414 3.180 -0.2210 -0.9398 -1.1700 + 1453SOL OW 5930 0.808 1.124 5.230 -0.2897 0.0377 -0.0681 + 1453SOL HW1 5931 0.834 1.131 5.322 -1.2295 -1.2427 0.3284 + 1453SOL HW2 5932 0.713 1.134 5.231 -0.5105 -1.6757 -0.6602 + 1454SOL OW 5933 1.571 5.126 1.160 -0.0013 -0.1315 -0.2816 + 1454SOL HW1 5934 1.613 5.125 1.074 -0.5469 -0.1808 -0.5504 + 1454SOL HW2 5935 1.506 5.195 1.154 -0.4083 -0.4946 -0.0819 + 1455SOL OW 5936 0.989 4.413 1.733 0.7563 -0.2658 -0.1512 + 1455SOL HW1 5937 0.971 4.362 1.654 1.4996 1.3405 -1.4132 + 1455SOL HW2 5938 1.066 4.465 1.712 -0.8244 2.5344 0.4590 + 1456SOL OW 5939 1.608 3.137 0.660 -0.0844 0.2639 -0.0483 + 1456SOL HW1 5940 1.691 3.097 0.634 0.6684 1.6219 0.1645 + 1456SOL HW2 5941 1.582 3.089 0.738 0.7050 0.0640 0.1034 + 1457SOL OW 5942 0.834 2.784 2.400 -0.3054 0.5789 -0.5154 + 1457SOL HW1 5943 0.754 2.737 2.421 -0.5214 0.6762 -1.1265 + 1457SOL HW2 5944 0.805 2.870 2.370 0.0529 0.8129 -0.2118 + 1458SOL OW 5945 3.352 0.396 4.896 0.0119 -0.1689 -0.0687 + 1458SOL HW1 5946 3.283 0.336 4.867 0.4995 -1.6281 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0.752 5.348 0.0179 0.4230 0.4942 + 1475SOL HW2 5998 4.296 0.644 5.272 -1.2869 -0.3129 0.2429 + 1476SOL OW 5999 6.392 2.934 2.479 -0.2755 -0.0378 -0.5844 + 1476SOL HW1 6000 6.454 3.004 2.460 2.7023 -2.5952 -1.2732 + 1476SOL HW2 6001 6.366 2.901 2.392 -0.6799 -0.5248 -0.2864 + 1477SOL OW 6002 1.895 4.591 2.143 -0.3678 0.4736 -0.1928 + 1477SOL HW1 6003 1.829 4.537 2.100 -0.6430 1.2070 -0.7239 + 1477SOL HW2 6004 1.973 4.583 2.087 -0.7996 1.6190 -0.9915 + 1478SOL OW 6005 0.445 5.072 4.145 -0.3085 -0.1767 0.1368 + 1478SOL HW1 6006 0.429 5.115 4.229 0.4843 0.9439 -0.2682 + 1478SOL HW2 6007 0.497 5.135 4.095 -0.3288 -1.0380 -1.0079 + 1479SOL OW 6008 5.015 3.137 3.813 -0.5770 0.6986 -0.2903 + 1479SOL HW1 6009 5.015 3.042 3.802 -0.0436 0.6769 -0.1117 + 1479SOL HW2 6010 5.097 3.156 3.858 -1.2596 1.1133 0.8041 + 1480SOL OW 6011 0.953 6.077 1.767 0.2923 -0.0802 0.6850 + 1480SOL HW1 6012 1.040 6.039 1.751 0.6092 0.4822 1.0342 + 1480SOL HW2 6013 0.914 6.082 1.680 0.5853 -0.3921 0.5288 + 1481SOL OW 6014 0.718 4.206 1.397 -0.0227 -0.4317 0.1816 + 1481SOL HW1 6015 0.673 4.267 1.339 1.6210 1.3306 0.6451 + 1481SOL HW2 6016 0.682 4.225 1.484 1.1544 0.6009 0.4699 + 1482SOL OW 6017 0.783 3.201 1.306 -0.3017 0.0542 0.0395 + 1482SOL HW1 6018 0.754 3.261 1.237 -0.2250 -0.8714 -0.8219 + 1482SOL HW2 6019 0.861 3.243 1.343 -1.8118 1.8311 1.3595 + 1483SOL OW 6020 0.609 2.256 1.784 0.0684 0.2011 -0.0582 + 1483SOL HW1 6021 0.670 2.184 1.797 -2.0837 -1.7696 -0.3409 + 1483SOL HW2 6022 0.543 2.246 1.852 -0.9160 1.1738 -0.8169 + 1484SOL OW 6023 5.937 1.665 2.488 0.4258 0.0324 -0.9369 + 1484SOL HW1 6024 5.864 1.639 2.544 0.0314 1.4797 -0.7165 + 1484SOL HW2 6025 5.907 1.648 2.399 0.4749 -0.9161 -0.7737 + 1485SOL OW 6026 1.689 4.869 1.895 -0.1713 0.8775 -0.1128 + 1485SOL HW1 6027 1.603 4.881 1.936 -0.4603 -0.0696 -0.4340 + 1485SOL HW2 6028 1.750 4.903 1.960 -0.7089 0.4869 0.6147 + 1486SOL OW 6029 0.962 4.390 0.112 -0.2359 0.2012 -0.0546 + 1486SOL HW1 6030 0.937 4.297 0.118 1.2660 -0.2477 -0.3532 + 1486SOL HW2 6031 0.894 4.430 0.058 -0.2886 -0.9782 -0.8970 + 1487SOL OW 6032 2.308 3.816 0.176 -0.0462 -0.2303 -0.7177 + 1487SOL HW1 6033 2.326 3.725 0.200 0.3531 0.1880 0.6561 + 1487SOL HW2 6034 2.258 3.809 0.094 -0.2823 -1.6878 -0.4876 + 1488SOL OW 6035 4.533 5.876 5.284 -0.3855 -0.1314 0.6820 + 1488SOL HW1 6036 4.500 5.958 5.321 -2.6140 -0.9725 0.6969 + 1488SOL HW2 6037 4.468 5.852 5.218 0.7923 -1.3502 -0.0754 + 1489SOL OW 6038 0.665 2.966 2.669 -0.2071 -0.6611 0.5585 + 1489SOL HW1 6039 0.594 3.029 2.683 -0.7526 -1.1552 0.0396 + 1489SOL HW2 6040 0.621 2.885 2.643 0.5948 -0.7175 -0.6725 + 1490SOL OW 6041 1.974 3.789 2.391 0.1174 0.3992 -0.0212 + 1490SOL HW1 6042 1.891 3.802 2.345 -0.0223 0.1239 0.1518 + 1490SOL HW2 6043 1.954 3.728 2.462 0.0880 1.6863 1.1076 + 1491SOL OW 6044 1.739 4.263 2.996 0.3190 -0.4928 0.1018 + 1491SOL HW1 6045 1.668 4.289 2.937 -1.2228 -1.8871 1.2314 + 1491SOL HW2 6046 1.795 4.207 2.942 -0.0927 -0.3389 -0.4959 + 1492SOL OW 6047 5.350 1.773 0.591 -0.2808 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2.072 -0.2110 -0.3313 0.4062 + 1503SOL HW2 6082 0.474 6.020 2.205 0.7646 0.2242 0.1235 + 1504SOL OW 6083 0.752 5.376 0.149 -0.3104 -0.0463 0.0528 + 1504SOL HW1 6084 0.691 5.354 0.219 1.3505 -0.6804 1.3547 + 1504SOL HW2 6085 0.748 5.301 0.089 0.2791 -0.7737 0.9089 + 1505SOL OW 6086 4.650 1.369 1.330 0.1266 -0.3374 0.2871 + 1505SOL HW1 6087 4.569 1.321 1.313 -0.1442 -0.9690 2.9799 + 1505SOL HW2 6088 4.692 1.323 1.402 3.0436 -0.1402 -1.1101 + 1506SOL OW 6089 5.941 5.415 1.272 -0.0055 -0.5366 0.3267 + 1506SOL HW1 6090 6.011 5.396 1.334 1.5273 -0.0804 -1.1710 + 1506SOL HW2 6091 5.954 5.352 1.201 1.2419 1.7942 -1.6954 + 1507SOL OW 6092 6.501 3.876 0.848 0.2920 0.0307 -0.3628 + 1507SOL HW1 6093 6.523 3.791 0.810 -1.1604 -0.7384 0.4118 + 1507SOL HW2 6094 6.540 3.874 0.935 1.0716 0.5604 -0.6952 + 1508SOL OW 6095 0.333 0.377 1.995 0.5249 0.2141 -0.5766 + 1508SOL HW1 6096 0.316 0.302 1.937 1.5467 -0.8657 0.4717 + 1508SOL HW2 6097 0.427 0.392 1.987 0.6512 0.1439 0.6839 + 1509SOL OW 6098 1.349 3.469 2.845 -0.0229 -0.3329 0.2628 + 1509SOL HW1 6099 1.262 3.484 2.880 0.2176 -1.2855 1.3557 + 1509SOL HW2 6100 1.408 3.494 2.916 0.4514 -3.1247 0.9812 + 1510SOL OW 6101 2.714 2.049 4.911 -0.2628 -0.1075 0.2134 + 1510SOL HW1 6102 2.623 2.019 4.916 -0.4703 0.4488 -0.0446 + 1510SOL HW2 6103 2.708 2.144 4.926 0.2335 -0.0167 -0.1449 + 1511SOL OW 6104 6.522 1.506 1.065 0.1978 -0.1572 -0.0295 + 1511SOL HW1 6105 6.548 1.414 1.069 -0.5357 -0.3218 1.7708 + 1511SOL HW2 6106 6.476 1.513 0.981 -2.7613 -2.3358 1.2208 + 1512SOL OW 6107 5.781 3.645 1.827 -0.0521 -0.5361 0.3812 + 1512SOL HW1 6108 5.797 3.573 1.888 -0.1154 -0.6084 0.3124 + 1512SOL HW2 6109 5.696 3.624 1.787 -1.6493 1.1508 2.6289 + 1513SOL OW 6110 3.887 1.320 4.710 0.2984 0.0015 -0.3061 + 1513SOL HW1 6111 3.887 1.400 4.763 1.7261 -1.4995 2.1484 + 1513SOL HW2 6112 3.979 1.297 4.700 -0.0805 -1.3718 -0.9131 + 1514SOL OW 6113 2.254 4.126 5.047 -0.5664 -0.4053 0.3961 + 1514SOL HW1 6114 2.249 4.209 4.999 -0.5385 -0.0302 1.0209 + 1514SOL HW2 6115 2.235 4.150 5.138 -1.9913 -1.3120 0.3693 + 1515SOL OW 6116 6.508 4.554 1.523 -0.2280 0.1570 -0.0890 + 1515SOL HW1 6117 6.557 4.545 1.604 0.9765 -0.2746 -0.8438 + 1515SOL HW2 6118 6.543 4.634 1.483 0.9979 -0.9704 -1.3618 + 1516SOL OW 6119 5.306 3.897 2.411 -0.6068 -0.4526 -0.1015 + 1516SOL HW1 6120 5.329 3.931 2.498 0.3661 2.7709 -1.4803 + 1516SOL HW2 6121 5.383 3.916 2.357 -1.7340 -1.1077 -2.0230 + 1517SOL OW 6122 5.891 4.367 3.084 0.3179 -0.5720 -0.0152 + 1517SOL HW1 6123 5.918 4.359 2.992 -0.0745 0.3803 -0.2254 + 1517SOL HW2 6124 5.973 4.367 3.133 0.5314 -1.0609 -0.3576 + 1518SOL OW 6125 2.572 1.360 4.247 0.4344 -0.2831 -0.0102 + 1518SOL HW1 6126 2.512 1.434 4.240 1.3596 0.4647 -0.3080 + 1518SOL HW2 6127 2.532 1.291 4.194 -0.6858 -0.1712 0.6779 + 1519SOL OW 6128 4.441 0.002 3.948 -0.3333 0.4302 -0.6569 + 1519SOL HW1 6129 4.408 0.092 3.944 -0.7479 0.2500 -1.4996 + 1519SOL HW2 6130 4.442 -0.027 3.857 -0.7678 -0.6206 -0.3403 + 1520SOL OW 6131 1.677 4.843 1.363 -0.1170 -0.4073 0.0810 + 1520SOL HW1 6132 1.741 4.884 1.421 -0.6743 1.0179 -0.2787 + 1520SOL HW2 6133 1.724 4.769 1.324 1.5599 0.9956 -0.6823 + 1521SOL OW 6134 0.653 1.342 4.416 -0.8372 -0.1041 0.7656 + 1521SOL HW1 6135 0.727 1.281 4.409 -1.6777 -1.4422 2.7791 + 1521SOL HW2 6136 0.691 1.427 4.396 0.8832 -0.9571 0.1467 + 1522SOL OW 6137 3.398 2.570 1.770 -0.2119 0.3926 0.3096 + 1522SOL HW1 6138 3.406 2.601 1.860 2.6825 0.7162 0.0149 + 1522SOL HW2 6139 3.411 2.648 1.716 -0.9371 0.0307 -0.4118 + 1523SOL OW 6140 1.247 5.415 0.400 -0.1297 0.1639 0.2306 + 1523SOL HW1 6141 1.230 5.321 0.390 -0.0184 0.1980 -0.3037 + 1523SOL HW2 6142 1.232 5.452 0.314 -1.5399 0.8743 0.7572 + 1524SOL OW 6143 2.265 4.084 1.248 0.5489 -0.4209 0.0931 + 1524SOL HW1 6144 2.336 4.145 1.264 -0.4924 1.1799 -1.0826 + 1524SOL HW2 6145 2.188 4.126 1.288 -0.3760 -0.4447 -1.5808 + 1525SOL OW 6146 3.121 3.870 0.697 0.3008 -0.0134 -0.0540 + 1525SOL HW1 6147 3.170 3.944 0.735 -0.9986 0.7687 0.1436 + 1525SOL HW2 6148 3.079 3.907 0.619 0.4246 -0.8117 -0.5122 + 1526SOL OW 6149 3.919 2.250 3.338 -0.4084 0.8217 0.1811 + 1526SOL HW1 6150 3.994 2.305 3.316 -0.8588 0.7523 -1.7679 + 1526SOL HW2 6151 3.951 2.161 3.326 0.0711 0.6449 2.4766 + 1527SOL OW 6152 2.118 1.656 4.594 0.3208 0.6850 0.6476 + 1527SOL HW1 6153 2.060 1.700 4.532 0.2810 0.9219 0.8542 + 1527SOL HW2 6154 2.206 1.686 4.570 0.4943 -0.5216 -0.3872 + 1528SOL OW 6155 1.029 4.032 0.063 0.4296 0.2423 -0.2042 + 1528SOL HW1 6156 1.032 3.939 0.084 -0.0594 0.3904 0.5467 + 1528SOL HW2 6157 0.947 4.063 0.101 0.5406 0.9606 -0.5303 + 1529SOL OW 6158 6.498 1.631 1.610 -0.6494 0.0454 0.2930 + 1529SOL HW1 6159 6.550 1.625 1.530 0.3010 -1.0722 0.9697 + 1529SOL HW2 6160 6.475 1.541 1.631 -0.4821 0.2825 1.5521 + 1530SOL OW 6161 3.599 1.221 0.500 0.2050 0.1896 -0.6315 + 1530SOL HW1 6162 3.518 1.269 0.483 1.2510 2.3827 0.1741 + 1530SOL HW2 6163 3.637 1.207 0.414 -0.9630 -0.8033 -1.0119 + 1531SOL OW 6164 3.142 4.295 1.193 -0.4412 -0.2588 0.3553 + 1531SOL HW1 6165 3.233 4.324 1.190 -0.6494 0.3779 -1.6970 + 1531SOL HW2 6166 3.144 4.205 1.163 -0.5080 -0.1544 0.0328 + 1532SOL OW 6167 1.115 5.451 1.007 -0.0805 -0.8265 0.1473 + 1532SOL HW1 6168 1.091 5.372 1.055 0.7325 -0.7570 0.6762 + 1532SOL HW2 6169 1.162 5.505 1.070 2.6021 -1.4978 -1.1479 + 1533SOL OW 6170 3.536 1.818 4.401 0.0559 -0.4234 0.4056 + 1533SOL HW1 6171 3.471 1.762 4.358 1.0072 -1.4260 0.2214 + 1533SOL HW2 6172 3.595 1.844 4.330 0.3179 -0.1983 0.7059 + 1534SOL OW 6173 6.047 0.068 1.496 0.0279 0.3737 -0.3345 + 1534SOL HW1 6174 6.088 0.022 1.570 -0.4331 0.4217 -0.0387 + 1534SOL HW2 6175 6.098 0.148 1.486 1.3955 -0.5989 -1.4358 + 1535SOL OW 6176 3.534 1.445 4.125 0.2829 0.2442 0.0904 + 1535SOL HW1 6177 3.563 1.354 4.134 0.3141 -0.0583 -2.3891 + 1535SOL HW2 6178 3.614 1.497 4.133 0.2546 0.1012 1.5988 + 1536SOL OW 6179 5.851 1.060 0.405 -0.3211 -0.3770 0.1166 + 1536SOL HW1 6180 5.781 1.002 0.378 -1.1665 0.2684 0.8721 + 1536SOL HW2 6181 5.882 1.100 0.323 -1.7120 0.2978 -0.1139 + 1537SOL OW 6182 4.913 0.014 0.752 0.1577 -0.3461 -0.0725 + 1537SOL HW1 6183 4.986 0.076 0.753 1.2968 -1.6111 1.7386 + 1537SOL HW2 6184 4.863 0.033 0.831 -1.2678 0.2038 -1.0616 + 1538SOL OW 6185 1.868 5.771 0.419 -0.5702 -0.2426 -0.0383 + 1538SOL HW1 6186 1.950 5.804 0.457 -1.0015 0.7081 0.0695 + 1538SOL HW2 6187 1.870 5.801 0.329 -0.2565 -1.2313 -0.3770 + 1539SOL OW 6188 1.055 4.778 0.768 -0.2616 0.0433 0.0743 + 1539SOL HW1 6189 1.063 4.871 0.791 -0.7107 0.4272 -1.2301 + 1539SOL HW2 6190 1.137 4.739 0.797 0.1298 0.9411 0.2227 + 1540SOL OW 6191 5.668 0.194 0.393 0.1420 -0.1239 0.8960 + 1540SOL HW1 6192 5.634 0.121 0.445 -0.4817 -0.4598 0.0396 + 1540SOL HW2 6193 5.613 0.196 0.315 0.6307 0.7955 0.5526 + 1541SOL OW 6194 6.300 3.001 0.778 0.3820 -0.2557 0.1718 + 1541SOL HW1 6195 6.231 3.015 0.842 -0.7259 -0.7050 -0.8895 + 1541SOL HW2 6196 6.263 2.938 0.716 1.0274 0.9206 -1.4804 + 1542SOL OW 6197 2.884 2.020 3.402 0.0367 -0.3468 -0.3073 + 1542SOL HW1 6198 2.828 1.991 3.331 -0.2581 1.1059 -0.7132 + 1542SOL HW2 6199 2.826 2.023 3.478 -0.2421 0.3297 -0.5372 + 1543SOL OW 6200 0.461 5.560 1.478 0.3478 0.3073 -0.3806 + 1543SOL HW1 6201 0.514 5.525 1.406 -0.2484 -1.5685 0.0319 + 1543SOL HW2 6202 0.425 5.482 1.521 -1.5488 1.4740 0.2559 + 1544SOL OW 6203 3.988 5.662 5.052 0.3789 0.6859 -0.4696 + 1544SOL HW1 6204 4.014 5.665 5.144 0.1768 -1.3396 -0.3028 + 1544SOL HW2 6205 4.066 5.630 5.006 -0.8186 -2.8443 -0.3150 + 1545SOL OW 6206 6.070 3.997 1.329 -0.2298 -0.0391 0.1104 + 1545SOL HW1 6207 6.132 3.933 1.364 -0.2143 -1.2772 -1.9766 + 1545SOL HW2 6208 6.125 4.068 1.296 -0.1399 0.3245 1.0339 + 1546SOL OW 6209 2.286 2.956 3.544 -0.2423 -0.2037 0.2969 + 1546SOL HW1 6210 2.240 2.882 3.584 1.3017 -0.6437 1.3490 + 1546SOL HW2 6211 2.240 3.033 3.577 -1.1075 -0.6533 0.1705 + 1547SOL OW 6212 6.406 4.045 2.395 -0.8263 0.3154 0.1816 + 1547SOL HW1 6213 6.411 4.024 2.301 -0.6577 -0.8425 0.4349 + 1547SOL HW2 6214 6.428 4.138 2.400 -0.0726 0.2139 -0.8598 + 1548SOL OW 6215 5.763 3.282 0.545 -0.6960 0.1403 0.0838 + 1548SOL HW1 6216 5.833 3.346 0.553 -1.1846 0.7434 -0.3210 + 1548SOL HW2 6217 5.682 3.334 0.555 -1.1390 -0.1608 -1.6270 + 1549SOL OW 6218 1.574 4.140 0.812 0.3206 -0.0892 0.5542 + 1549SOL HW1 6219 1.505 4.076 0.793 0.6716 -0.3248 0.0157 + 1549SOL HW2 6220 1.552 4.216 0.759 -0.7193 0.6981 2.0571 + 1550SOL OW 6221 0.382 4.024 0.480 0.7500 0.0634 0.1335 + 1550SOL HW1 6222 0.451 3.997 0.420 1.8100 -1.8200 2.0857 + 1550SOL HW2 6223 0.426 4.081 0.543 -0.2464 1.5767 -0.4603 + 1551SOL OW 6224 1.841 0.353 4.553 0.5871 -0.3744 0.1410 + 1551SOL HW1 6225 1.880 0.440 4.544 0.8488 -0.4500 0.5465 + 1551SOL HW2 6226 1.751 0.365 4.524 0.2183 0.3522 1.5212 + 1552SOL OW 6227 1.626 2.915 0.326 -0.4198 0.1967 -0.1876 + 1552SOL HW1 6228 1.693 2.929 0.260 0.8736 -0.2695 0.9717 + 1552SOL HW2 6229 1.642 2.827 0.359 -0.3884 0.7533 1.4096 + 1553SOL OW 6230 4.388 2.553 5.328 -0.2800 0.5328 -0.1770 + 1553SOL HW1 6231 4.411 2.601 5.408 -1.2774 1.4396 -0.4149 + 1553SOL HW2 6232 4.377 2.620 5.261 -0.0938 -0.1707 -0.9324 + 1554SOL OW 6233 1.181 1.651 0.922 -0.5455 -0.1452 0.4969 + 1554SOL HW1 6234 1.253 1.592 0.899 0.7328 1.4622 0.2238 + 1554SOL HW2 6235 1.172 1.641 1.017 -1.2675 -1.7469 0.2941 + 1555SOL OW 6236 4.916 2.794 5.005 0.0890 0.1640 -0.5964 + 1555SOL HW1 6237 4.963 2.869 4.969 -0.1125 0.6414 0.1105 + 1555SOL HW2 6238 4.918 2.728 4.935 0.2392 0.8364 -1.2340 + 1556SOL OW 6239 0.270 1.692 1.289 0.1300 0.2386 0.7397 + 1556SOL HW1 6240 0.234 1.781 1.288 -0.1968 0.1205 -0.7742 + 1556SOL HW2 6241 0.362 1.703 1.269 0.1832 0.2667 0.9972 + 1557SOL OW 6242 1.360 5.296 2.465 0.2650 0.2462 0.6685 + 1557SOL HW1 6243 1.376 5.203 2.450 -0.2989 0.2090 0.2839 + 1557SOL HW2 6244 1.424 5.341 2.410 -1.9032 0.1209 -2.1538 + 1558SOL OW 6245 2.189 1.535 1.866 -0.2928 0.3235 -0.4068 + 1558SOL HW1 6246 2.130 1.531 1.790 -0.5102 -0.0866 -0.2159 + 1558SOL HW2 6247 2.242 1.613 1.850 -0.6064 0.4639 -0.7859 + 1559SOL OW 6248 0.648 5.673 2.681 0.0369 0.1675 -0.4282 + 1559SOL HW1 6249 0.707 5.709 2.615 0.6251 -0.0476 -0.0302 + 1559SOL HW2 6250 0.578 5.631 2.630 1.6144 -1.9361 -0.9978 + 1560SOL OW 6251 1.777 1.112 4.137 0.7642 -0.0803 -0.1649 + 1560SOL HW1 6252 1.802 1.200 4.165 0.4698 -0.0395 -0.0311 + 1560SOL HW2 6253 1.684 1.105 4.158 0.8754 -0.5616 0.1837 + 1561SOL OW 6254 3.978 2.829 4.608 -0.2280 -0.2284 -0.1347 + 1561SOL HW1 6255 3.997 2.873 4.525 -2.1814 -1.3595 -1.2545 + 1561SOL HW2 6256 4.065 2.810 4.645 0.7125 -0.2000 -2.1823 + 1562SOL OW 6257 1.573 5.630 0.880 0.2618 -0.0460 0.3452 + 1562SOL HW1 6258 1.613 5.671 0.803 -2.2373 -0.1181 -1.1156 + 1562SOL HW2 6259 1.586 5.692 0.951 -0.8732 1.9832 -1.1245 + 1563SOL OW 6260 5.982 4.351 0.381 -0.0981 -0.2710 -0.3098 + 1563SOL HW1 6261 5.907 4.356 0.322 0.6147 0.1941 -1.2059 + 1563SOL HW2 6262 5.962 4.279 0.440 -0.3620 -1.4479 -1.7966 + 1564SOL OW 6263 1.098 5.508 1.422 -0.1627 -0.0657 -0.1594 + 1564SOL HW1 6264 1.017 5.545 1.388 -0.5464 0.9039 1.7156 + 1564SOL HW2 6265 1.071 5.429 1.470 -0.0882 0.5080 0.8591 + 1565SOL OW 6266 0.470 3.813 2.871 0.1015 0.0145 -0.0027 + 1565SOL HW1 6267 0.495 3.867 2.945 0.3687 -0.5114 0.2919 + 1565SOL HW2 6268 0.485 3.868 2.794 1.4461 -0.0199 0.2120 + 1566SOL OW 6269 0.878 4.354 0.748 0.3877 -0.0733 0.8593 + 1566SOL HW1 6270 0.825 4.299 0.806 -0.8441 0.7905 0.5944 + 1566SOL HW2 6271 0.898 4.432 0.800 -0.0404 0.3450 0.4074 + 1567SOL OW 6272 6.451 4.321 1.414 0.6394 -0.9053 -0.1748 + 1567SOL HW1 6273 6.479 4.406 1.448 0.4820 -0.2853 -1.5175 + 1567SOL HW2 6274 6.521 4.260 1.439 0.0597 -0.7332 2.1109 + 1568SOL OW 6275 0.469 4.396 3.294 0.2528 -0.0628 0.0096 + 1568SOL HW1 6276 0.378 4.423 3.297 0.1639 -0.3962 2.1818 + 1568SOL HW2 6277 0.518 4.478 3.304 0.2505 0.1890 -1.7482 + 1569SOL OW 6278 1.361 2.410 0.967 0.5714 -0.5801 0.1224 + 1569SOL HW1 6279 1.340 2.317 0.958 -0.6540 -0.4028 0.9539 + 1569SOL HW2 6280 1.279 2.455 0.946 0.8585 0.2675 0.7858 + 1570SOL OW 6281 2.250 5.952 1.046 -0.3674 -0.5137 -0.3691 + 1570SOL HW1 6282 2.190 5.983 1.114 0.0308 -0.7551 0.0948 + 1570SOL HW2 6283 2.201 5.964 0.964 0.0099 1.9723 -0.3007 + 1571SOL OW 6284 1.840 5.041 1.009 0.0297 -0.6494 -0.4861 + 1571SOL HW1 6285 1.831 4.966 0.950 2.9047 -0.4636 -1.2921 + 1571SOL HW2 6286 1.865 5.003 1.093 -0.5956 -0.6971 -0.3164 + 1572SOL OW 6287 0.537 5.802 0.508 0.4376 -0.3185 0.1731 + 1572SOL HW1 6288 0.556 5.794 0.415 1.3275 2.1811 0.0594 + 1572SOL HW2 6289 0.579 5.726 0.548 0.9172 -0.8878 -1.3545 + 1573SOL OW 6290 1.685 4.268 2.579 -0.3451 0.2843 0.1717 + 1573SOL HW1 6291 1.693 4.339 2.515 -0.7358 -1.7874 -2.3468 + 1573SOL HW2 6292 1.615 4.297 2.638 0.8479 2.8042 0.4687 + 1574SOL OW 6293 2.512 4.926 0.501 0.6755 0.4306 -0.5622 + 1574SOL HW1 6294 2.497 4.854 0.440 -0.2909 0.9468 -0.9512 + 1574SOL HW2 6295 2.577 4.981 0.459 2.1966 -0.7214 0.1895 + 1575SOL OW 6296 5.359 0.269 3.485 0.1553 -0.4763 -0.7716 + 1575SOL HW1 6297 5.366 0.278 3.390 -1.7666 -0.3250 -0.9487 + 1575SOL HW2 6298 5.424 0.329 3.520 0.4866 -0.0958 -1.9990 + 1576SOL OW 6299 5.957 6.046 2.332 0.5836 0.0540 0.1869 + 1576SOL HW1 6300 5.981 6.136 2.354 3.0651 -0.2658 -0.8509 + 1576SOL HW2 6301 6.028 6.016 2.276 -0.2107 -2.5578 0.4647 + 1577SOL OW 6302 0.893 5.113 1.051 0.0811 0.2934 -0.1310 + 1577SOL HW1 6303 0.900 5.024 1.016 0.0913 -0.5160 1.8205 + 1577SOL HW2 6304 0.799 5.129 1.054 0.0779 0.3511 -0.4560 + 1578SOL OW 6305 1.906 5.855 0.163 -0.3118 0.2606 -0.5988 + 1578SOL HW1 6306 1.996 5.840 0.189 -0.0692 -1.5280 -2.2564 + 1578SOL HW2 6307 1.897 5.951 0.162 0.4242 0.5208 2.9827 + 1579SOL OW 6308 6.189 1.451 0.079 0.1536 0.1136 -0.2925 + 1579SOL HW1 6309 6.137 1.375 0.105 1.2942 -0.0096 1.8263 + 1579SOL HW2 6310 6.129 1.525 0.088 -0.2193 -0.2400 0.1654 + 1580SOL OW 6311 5.025 0.275 0.814 0.5634 0.4335 -0.3675 + 1580SOL HW1 6312 5.070 0.330 0.750 1.1777 0.3749 0.0078 + 1580SOL HW2 6313 4.973 0.337 0.866 1.9943 0.8094 0.6768 + 1581SOL OW 6314 3.171 1.335 5.019 -0.1334 -0.3292 0.1989 + 1581SOL HW1 6315 3.133 1.419 5.045 0.4933 0.2582 -0.7448 + 1581SOL HW2 6316 3.206 1.299 5.101 0.1457 0.6175 0.5106 + 1582SOL OW 6317 0.229 4.944 0.211 0.5484 0.2015 0.3884 + 1582SOL HW1 6318 0.314 4.988 0.201 0.3656 0.3589 -0.6107 + 1582SOL HW2 6319 0.225 4.919 0.303 1.8746 -0.1816 0.3626 + 1583SOL OW 6320 6.248 1.113 3.832 -0.2159 0.0854 -0.1137 + 1583SOL HW1 6321 6.178 1.058 3.797 0.4278 0.2687 -1.7813 + 1583SOL HW2 6322 6.203 1.183 3.878 -1.0663 -1.9138 2.3105 + 1584SOL OW 6323 2.509 0.610 0.218 -0.4629 0.1714 -0.0990 + 1584SOL HW1 6324 2.531 0.550 0.289 -0.6222 -0.1200 -0.2942 + 1584SOL HW2 6325 2.504 0.696 0.260 1.0276 0.2496 -0.0416 + 1585SOL OW 6326 5.643 5.317 3.944 0.3158 -0.1044 0.2499 + 1585SOL HW1 6327 5.700 5.246 3.975 2.3022 1.8274 1.3314 + 1585SOL HW2 6328 5.697 5.366 3.882 -1.2719 0.0675 -1.0538 + 1586SOL OW 6329 5.854 3.255 3.220 0.9487 -0.0310 -0.4444 + 1586SOL HW1 6330 5.936 3.292 3.184 1.8092 -0.7998 0.6625 + 1586SOL HW2 6331 5.789 3.323 3.205 1.7983 0.6243 -1.3193 + 1587SOL OW 6332 1.895 5.632 0.029 -0.0071 0.4752 0.4874 + 1587SOL HW1 6333 1.879 5.720 0.063 -1.7378 -1.0887 4.4010 + 1587SOL HW2 6334 1.985 5.612 0.057 0.5357 1.0886 -0.7649 + 1588SOL OW 6335 1.587 4.125 2.022 0.1760 -0.3554 -0.1235 + 1588SOL HW1 6336 1.678 4.104 2.045 1.2196 3.1537 -0.4752 + 1588SOL HW2 6337 1.552 4.167 2.101 -0.1730 0.8379 -0.8874 + 1589SOL OW 6338 5.164 1.715 2.616 0.0155 -0.1504 -0.5041 + 1589SOL HW1 6339 5.160 1.793 2.672 0.6352 1.0448 -2.0473 + 1589SOL HW2 6340 5.076 1.677 2.623 0.0231 0.0589 1.1085 + 1590SOL OW 6341 0.240 4.315 2.962 0.3761 -0.6369 -0.7380 + 1590SOL HW1 6342 0.320 4.362 2.985 -0.1751 0.2014 -0.4927 + 1590SOL HW2 6343 0.243 4.236 3.016 0.0842 0.3402 0.7631 + 1591SOL OW 6344 3.041 1.704 2.534 -0.2952 -0.1854 0.8150 + 1591SOL HW1 6345 2.962 1.677 2.488 -0.4682 0.4516 0.7363 + 1591SOL HW2 6346 3.052 1.638 2.603 -0.5457 -0.6225 0.4461 + 1592SOL OW 6347 0.398 1.284 4.331 0.0477 -0.2294 -0.0567 + 1592SOL HW1 6348 0.488 1.307 4.352 0.0234 0.1716 -0.3926 + 1592SOL HW2 6349 0.402 1.248 4.243 -0.1292 -0.1828 -0.0834 + 1593SOL OW 6350 5.071 3.058 5.092 0.1009 -0.4055 0.4099 + 1593SOL HW1 6351 5.024 3.141 5.093 0.5454 -0.1070 -1.0693 + 1593SOL HW2 6352 5.004 2.992 5.106 -0.3343 0.1578 1.0568 + 1594SOL OW 6353 5.691 5.774 0.719 0.4661 0.3334 -0.4419 + 1594SOL HW1 6354 5.749 5.847 0.698 -0.6084 1.5858 0.7250 + 1594SOL HW2 6355 5.615 5.786 0.661 1.3530 -1.3669 -2.0558 + 1595SOL OW 6356 5.260 0.050 3.351 0.0497 0.1487 -0.1364 + 1595SOL HW1 6357 5.243 0.095 3.269 0.3028 -0.7067 -0.6720 + 1595SOL HW2 6358 5.273 0.120 3.415 1.3742 0.8574 -1.1284 + 1596SOL OW 6359 0.475 3.170 2.665 -0.4345 0.0323 -0.0969 + 1596SOL HW1 6360 0.495 3.263 2.669 -2.1877 0.4578 -0.3614 + 1596SOL HW2 6361 0.402 3.158 2.725 0.4691 -1.4018 0.7833 + 1597SOL OW 6362 6.207 0.013 0.207 0.2414 0.5740 -0.1695 + 1597SOL HW1 6363 6.167 0.100 0.215 1.2310 0.9507 1.1029 + 1597SOL HW2 6364 6.197 -0.026 0.295 1.1132 -0.0022 -0.3123 + 1598SOL OW 6365 1.262 3.616 3.521 -0.0492 0.0687 0.2048 + 1598SOL HW1 6366 1.186 3.577 3.477 -0.0308 0.1912 0.0638 + 1598SOL HW2 6367 1.225 3.678 3.583 -0.1022 -0.5941 0.8475 + 1599SOL OW 6368 6.057 5.308 0.200 -0.1247 -0.4534 0.2913 + 1599SOL HW1 6369 6.086 5.265 0.119 -0.7759 -0.5657 0.1126 + 1599SOL HW2 6370 6.136 5.350 0.234 0.3378 -1.0892 0.0284 + 1600SOL OW 6371 1.687 4.392 3.384 -0.3460 -0.3024 0.0890 + 1600SOL HW1 6372 1.666 4.471 3.434 3.3212 1.6837 -1.1680 + 1600SOL HW2 6373 1.665 4.414 3.294 -1.1003 -1.5410 -0.0609 + 1601SOL OW 6374 0.613 4.433 2.739 -0.1641 0.3989 -0.0126 + 1601SOL HW1 6375 0.608 4.509 2.681 0.5517 -0.1782 -0.8534 + 1601SOL HW2 6376 0.695 4.446 2.788 0.8403 -0.6266 -1.3465 + 1602SOL OW 6377 2.736 3.239 2.015 -0.2481 -0.5238 0.0099 + 1602SOL HW1 6378 2.748 3.187 1.936 -0.7656 -0.1506 -0.3231 + 1602SOL HW2 6379 2.641 3.244 2.026 -0.3441 1.9302 -1.0687 + 1603SOL OW 6380 1.423 3.550 3.115 0.4011 -0.0050 -0.4391 + 1603SOL HW1 6381 1.391 3.638 3.135 -2.7053 -1.2344 0.5269 + 1603SOL HW2 6382 1.460 3.518 3.197 3.0338 0.8350 -1.1727 + 1604SOL OW 6383 1.679 2.796 1.335 -0.6689 -0.3021 0.2006 + 1604SOL HW1 6384 1.588 2.824 1.333 -0.9619 -1.2219 0.0429 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0.3078 + 1610SOL HW1 6402 2.475 3.060 0.398 0.6224 -0.0092 0.3074 + 1610SOL HW2 6403 2.570 3.167 0.349 0.7090 -0.2659 -0.0854 + 1611SOL OW 6404 1.287 5.603 2.312 -0.1471 -0.4196 -0.0580 + 1611SOL HW1 6405 1.326 5.526 2.272 -2.5191 -1.1489 -1.1288 + 1611SOL HW2 6406 1.238 5.646 2.242 -2.4032 -0.3629 1.4355 + 1612SOL OW 6407 0.076 2.873 2.855 -0.0406 0.2442 0.0993 + 1612SOL HW1 6408 0.111 2.786 2.874 -1.0844 -0.3767 -0.6881 + 1612SOL HW2 6409 0.074 2.918 2.940 -0.2461 -0.7967 0.6559 + 1613SOL OW 6410 2.579 1.718 1.439 -0.0398 -0.1910 -0.4844 + 1613SOL HW1 6411 2.610 1.800 1.401 -0.7926 -0.5548 -1.9510 + 1613SOL HW2 6412 2.597 1.652 1.372 0.1808 -1.1711 0.5057 + 1614SOL OW 6413 1.711 5.625 4.106 -0.0709 0.0291 -0.2035 + 1614SOL HW1 6414 1.761 5.547 4.127 -2.3710 -1.3485 0.5779 + 1614SOL HW2 6415 1.731 5.686 4.176 2.4126 0.5758 -1.2712 + 1615SOL OW 6416 3.105 4.008 4.991 -0.2880 0.1780 -0.2641 + 1615SOL HW1 6417 3.076 4.069 4.923 -2.3838 0.6195 0.9422 + 1615SOL HW2 6418 3.160 4.062 5.049 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3.172 3.468 1.9898 0.9443 0.6863 + 1621SOL HW2 6436 1.013 3.193 3.592 0.9316 1.0267 -0.0491 + 1622SOL OW 6437 0.768 3.102 4.427 0.2035 -0.1284 -0.0936 + 1622SOL HW1 6438 0.803 3.015 4.450 0.9281 -0.0368 -0.7787 + 1622SOL HW2 6439 0.675 3.096 4.447 -0.0986 -1.6269 -1.6358 + 1623SOL OW 6440 0.357 3.489 3.521 -0.4643 -0.0095 -0.7203 + 1623SOL HW1 6441 0.346 3.544 3.598 0.9009 -0.4695 -0.1662 + 1623SOL HW2 6442 0.420 3.535 3.467 2.7147 -2.0827 0.9145 + 1624SOL OW 6443 1.187 2.246 4.009 -0.0791 -0.5411 0.3346 + 1624SOL HW1 6444 1.174 2.157 4.043 -0.8728 -0.1761 1.0180 + 1624SOL HW2 6445 1.281 2.253 3.996 -0.1149 -1.9809 -1.1250 + 1625SOL OW 6446 5.864 4.114 2.736 -0.3033 0.1309 0.3318 + 1625SOL HW1 6447 5.810 4.073 2.803 0.2907 0.4896 1.0390 + 1625SOL HW2 6448 5.878 4.203 2.767 0.3386 0.1713 -0.0547 + 1626SOL OW 6449 4.150 0.091 2.682 -0.1332 -0.2548 -0.2227 + 1626SOL HW1 6450 4.213 0.081 2.610 -0.0722 -0.5596 -0.1296 + 1626SOL HW2 6451 4.139 0.185 2.692 2.4480 -0.0447 1.6122 + 1627SOL OW 6452 0.228 0.773 1.273 -0.5247 0.3582 0.4646 + 1627SOL HW1 6453 0.176 0.719 1.213 -1.4179 1.7251 -0.0275 + 1627SOL HW2 6454 0.167 0.799 1.342 -0.0806 0.6724 0.7429 + 1628SOL OW 6455 1.445 5.178 3.888 -0.8146 0.3844 -0.3103 + 1628SOL HW1 6456 1.370 5.139 3.842 -1.2451 1.5018 -0.5902 + 1628SOL HW2 6457 1.416 5.267 3.910 -0.4769 0.0268 1.7845 + 1629SOL OW 6458 1.531 4.054 1.760 0.0421 0.0782 0.2988 + 1629SOL HW1 6459 1.562 4.126 1.703 0.5514 -1.2587 -1.1870 + 1629SOL HW2 6460 1.564 4.077 1.847 1.2462 1.0499 -0.3774 + 1630SOL OW 6461 1.091 4.924 4.088 -0.8564 0.0543 -0.0909 + 1630SOL HW1 6462 1.113 5.016 4.078 -0.3467 0.2641 2.3792 + 1630SOL HW2 6463 1.173 4.881 4.112 -1.2797 -0.8788 -0.2265 + 1631SOL OW 6464 0.360 2.832 0.467 0.3290 0.2105 -0.0510 + 1631SOL HW1 6465 0.322 2.752 0.502 -1.6468 -0.0064 -2.3845 + 1631SOL HW2 6466 0.425 2.801 0.402 1.1614 0.5569 0.5959 + 1632SOL OW 6467 0.298 5.799 3.477 0.4844 0.5882 0.7290 + 1632SOL HW1 6468 0.361 5.774 3.544 0.6601 -1.5484 -0.1589 + 1632SOL HW2 6469 0.348 5.855 3.417 1.8589 -1.6831 -0.3783 + 1633SOL OW 6470 6.421 1.108 2.289 0.3919 0.2767 0.3123 + 1633SOL HW1 6471 6.402 1.016 2.272 -0.2513 0.4711 -0.0518 + 1633SOL HW2 6472 6.505 1.107 2.335 0.5220 -0.4731 0.0744 + 1634SOL OW 6473 1.080 3.731 4.141 -0.3187 -0.1436 0.4299 + 1634SOL HW1 6474 1.064 3.656 4.199 0.2555 0.3693 1.2727 + 1634SOL HW2 6475 0.993 3.757 4.111 -0.4731 -1.6738 -0.5727 + 1635SOL OW 6476 2.096 3.308 1.268 0.0564 -0.2057 0.2871 + 1635SOL HW1 6477 2.062 3.220 1.287 -1.2240 0.5238 1.5910 + 1635SOL HW2 6478 2.178 3.292 1.223 -0.7794 -2.0730 -0.6978 + 1636SOL OW 6479 0.521 5.774 3.601 0.2534 -0.3236 0.1339 + 1636SOL HW1 6480 0.600 5.738 3.562 -0.2236 0.3365 -1.5748 + 1636SOL HW2 6481 0.548 5.808 3.686 1.8860 0.1977 -0.5593 + 1637SOL OW 6482 1.092 4.415 3.572 0.2073 0.3675 -0.2965 + 1637SOL HW1 6483 1.150 4.438 3.644 0.1479 1.1420 -0.4850 + 1637SOL HW2 6484 1.114 4.477 3.502 1.3010 -1.2950 -1.5018 + 1638SOL OW 6485 4.045 3.916 4.184 -0.5845 0.1276 0.0760 + 1638SOL HW1 6486 3.994 3.935 4.105 -2.5569 0.2004 1.2782 + 1638SOL HW2 6487 4.130 3.886 4.152 -1.1220 0.7156 -2.0407 + 1639SOL OW 6488 0.465 3.585 3.967 -0.3028 0.0745 -0.0502 + 1639SOL HW1 6489 0.481 3.493 3.988 -1.2894 -0.2686 -0.6928 + 1639SOL HW2 6490 0.393 3.583 3.904 -0.5808 1.3094 0.1902 + 1640SOL OW 6491 0.783 5.292 2.917 0.0521 -0.3381 -0.3136 + 1640SOL HW1 6492 0.737 5.309 2.835 1.7051 2.1258 -0.8505 + 1640SOL HW2 6493 0.870 5.264 2.890 1.3358 2.5708 0.4505 + 1641SOL OW 6494 1.209 2.389 1.556 -0.2357 0.1202 -0.0111 + 1641SOL HW1 6495 1.286 2.445 1.565 -0.2795 0.0435 1.0051 + 1641SOL HW2 6496 1.164 2.397 1.640 -1.3504 0.1785 -0.5926 + 1642SOL OW 6497 4.621 1.223 2.221 0.1436 0.1851 0.1350 + 1642SOL HW1 6498 4.643 1.266 2.303 -1.6729 -0.8371 1.2408 + 1642SOL HW2 6499 4.532 1.254 2.201 -0.6555 -1.8750 0.2314 + 1643SOL OW 6500 0.379 2.887 2.797 -0.4423 0.3228 0.1436 + 1643SOL HW1 6501 0.390 2.851 2.709 0.4732 0.8200 0.0439 + 1643SOL HW2 6502 0.336 2.972 2.783 -2.1748 -0.4844 0.3441 + 1644SOL OW 6503 1.637 1.981 3.698 -0.1608 0.0014 -0.1176 + 1644SOL HW1 6504 1.652 1.976 3.603 0.7442 1.2589 -0.0692 + 1644SOL HW2 6505 1.691 2.054 3.726 -0.1569 -0.5721 1.4396 + 1645SOL OW 6506 2.589 4.249 4.646 -0.1668 0.0505 -0.0096 + 1645SOL HW1 6507 2.601 4.324 4.705 -1.5466 -0.0682 0.4608 + 1645SOL HW2 6508 2.548 4.182 4.700 -1.6915 0.0229 -1.1179 + 1646SOL OW 6509 0.757 2.281 0.336 -0.3552 0.2929 -0.0601 + 1646SOL HW1 6510 0.695 2.295 0.265 -0.9175 1.5612 0.6640 + 1646SOL HW2 6511 0.768 2.367 0.377 0.2395 -0.3273 1.1569 + 1647SOL OW 6512 5.927 2.517 4.151 -0.3138 -0.3775 0.5441 + 1647SOL HW1 6513 5.834 2.498 4.165 -0.4272 0.6924 1.4410 + 1647SOL HW2 6514 5.945 2.590 4.210 1.0250 -0.3544 0.1377 + 1648SOL OW 6515 1.347 0.182 4.828 -0.4557 -0.0073 0.4321 + 1648SOL HW1 6516 1.388 0.126 4.763 0.2603 -0.3581 1.1775 + 1648SOL HW2 6517 1.418 0.234 4.865 -0.7033 -0.4119 1.5264 + 1649SOL OW 6518 0.763 3.533 3.622 0.0684 -0.5467 -1.0732 + 1649SOL HW1 6519 0.697 3.587 3.579 -0.3919 -0.4160 -0.2141 + 1649SOL HW2 6520 0.713 3.462 3.663 0.3385 0.1308 0.4761 + 1650SOL OW 6521 4.615 4.184 0.719 -0.0303 -0.3055 0.5299 + 1650SOL HW1 6522 4.682 4.244 0.688 -0.3213 -0.4244 -0.3675 + 1650SOL HW2 6523 4.663 4.108 0.751 0.3623 0.5449 2.0370 + 1651SOL OW 6524 1.341 3.849 3.875 0.0309 -0.0041 0.3618 + 1651SOL HW1 6525 1.309 3.930 3.915 -1.8982 1.3469 -3.3526 + 1651SOL HW2 6526 1.405 3.879 3.810 1.9670 -1.8802 1.3114 + 1652SOL OW 6527 1.846 4.826 2.268 -0.1416 0.3960 0.7781 + 1652SOL HW1 6528 1.871 4.818 2.360 0.5603 -1.9127 0.4463 + 1652SOL HW2 6529 1.858 4.738 2.232 2.6961 1.8481 -2.3199 + 1653SOL OW 6530 6.039 2.672 1.024 -0.2641 -0.5017 0.2614 + 1653SOL HW1 6531 6.047 2.612 1.099 3.9392 1.5045 1.7392 + 1653SOL HW2 6532 6.095 2.746 1.047 -3.2127 2.9484 -2.5226 + 1654SOL OW 6533 2.727 3.629 0.464 0.3744 -0.0668 -0.3318 + 1654SOL HW1 6534 2.644 3.600 0.503 0.0557 2.2339 0.8223 + 1654SOL HW2 6535 2.794 3.578 0.510 -0.3082 -1.5632 -0.9062 + 1655SOL OW 6536 0.339 3.218 3.620 -0.9227 -0.8453 0.8962 + 1655SOL HW1 6537 0.359 3.311 3.609 2.5924 -1.7136 -1.9560 + 1655SOL HW2 6538 0.262 3.204 3.565 0.9606 -0.2209 -2.1210 + 1656SOL OW 6539 6.087 2.115 1.737 -0.6265 -0.0624 -0.3686 + 1656SOL HW1 6540 6.022 2.114 1.808 0.2411 -0.4193 0.4531 + 1656SOL HW2 6541 6.140 2.037 1.754 1.7740 1.6948 0.6853 + 1657SOL OW 6542 2.110 3.864 1.805 -0.1800 -0.2604 -0.3019 + 1657SOL HW1 6543 2.026 3.910 1.811 -0.3765 -0.7314 0.8165 + 1657SOL HW2 6544 2.091 3.786 1.753 -0.2966 -0.0520 -0.5714 + 1658SOL OW 6545 5.963 4.548 4.874 0.1264 0.5669 0.1134 + 1658SOL HW1 6546 6.021 4.497 4.817 -2.3890 -1.2835 -0.9656 + 1658SOL HW2 6547 5.967 4.502 4.959 -1.7020 -1.2796 -0.7025 + 1659SOL OW 6548 0.766 3.814 2.902 0.3207 0.3760 0.2612 + 1659SOL HW1 6549 0.727 3.793 2.987 -2.2537 -2.1027 -1.3454 + 1659SOL HW2 6550 0.739 3.905 2.886 0.0898 0.5948 1.6827 + 1660SOL OW 6551 1.386 5.734 1.760 0.2647 0.2750 0.0269 + 1660SOL HW1 6552 1.472 5.733 1.719 0.7605 -2.4562 0.9381 + 1660SOL HW2 6553 1.325 5.716 1.689 0.3974 2.1687 -0.6147 + 1661SOL OW 6554 1.697 4.506 2.425 -0.2992 0.4828 0.4660 + 1661SOL HW1 6555 1.768 4.532 2.367 -0.3342 -2.1540 -0.9054 + 1661SOL HW2 6556 1.634 4.578 2.419 0.4633 1.0479 -1.4393 + 1662SOL OW 6557 5.610 4.228 2.053 -0.1669 -0.4464 0.1220 + 1662SOL HW1 6558 5.524 4.189 2.043 0.1046 -1.3313 1.0649 + 1662SOL HW2 6559 5.602 4.315 2.013 -2.0457 0.2298 1.7687 + 1663SOL OW 6560 4.804 4.408 4.380 0.4318 -0.1194 -0.0946 + 1663SOL HW1 6561 4.779 4.499 4.396 -0.2964 -0.4782 0.8575 + 1663SOL HW2 6562 4.899 4.408 4.390 0.3560 0.3790 0.7275 + 1664SOL OW 6563 6.415 2.474 2.881 -0.0845 1.1451 -0.4930 + 1664SOL HW1 6564 6.345 2.411 2.897 -0.0055 0.8106 -1.3948 + 1664SOL HW2 6565 6.388 2.552 2.929 -0.6822 0.7631 -0.1878 + 1665SOL OW 6566 5.086 0.371 1.235 0.1623 0.4504 0.4765 + 1665SOL HW1 6567 5.069 0.320 1.314 1.6158 -3.0597 -1.3083 + 1665SOL HW2 6568 5.178 0.397 1.241 0.6890 -1.0514 -0.6334 + 1666SOL OW 6569 6.334 5.792 2.291 -0.2555 0.4562 -0.4602 + 1666SOL HW1 6570 6.412 5.753 2.331 -0.6156 -0.5198 -0.6844 + 1666SOL HW2 6571 6.365 5.832 2.210 -0.1175 -0.6868 -0.9886 + 1667SOL OW 6572 6.421 5.306 3.034 -0.2563 -0.0169 -0.1567 + 1667SOL HW1 6573 6.339 5.355 3.043 -0.7933 -1.0442 0.7852 + 1667SOL HW2 6574 6.484 5.353 3.088 -0.5241 0.1551 0.0068 + 1668SOL OW 6575 0.986 3.542 1.546 -0.1055 -0.0127 0.0028 + 1668SOL HW1 6576 0.978 3.476 1.478 -0.1245 1.2405 -1.2575 + 1668SOL HW2 6577 1.065 3.591 1.523 0.6166 -0.3558 1.6156 + 1669SOL OW 6578 5.842 2.790 0.591 0.2129 0.2180 0.0240 + 1669SOL HW1 6579 5.749 2.801 0.571 0.2126 1.9313 0.8316 + 1669SOL HW2 6580 5.882 2.766 0.507 -0.9365 -0.5960 -0.3201 + 1670SOL OW 6581 3.468 1.015 0.177 0.0393 0.5068 -0.4374 + 1670SOL HW1 6582 3.416 1.081 0.130 0.1062 1.7479 1.1478 + 1670SOL HW2 6583 3.558 1.044 0.167 0.0184 1.0476 0.8063 + 1671SOL OW 6584 1.224 1.749 0.462 0.0763 -0.9373 0.0064 + 1671SOL HW1 6585 1.186 1.796 0.537 1.2974 -0.3391 0.2711 + 1671SOL HW2 6586 1.285 1.687 0.501 1.3671 -0.0305 -0.4998 + 1672SOL OW 6587 4.352 5.150 0.841 -0.4399 0.3692 -0.0410 + 1672SOL HW1 6588 4.283 5.165 0.777 0.2273 1.7843 -0.4656 + 1672SOL HW2 6589 4.413 5.091 0.798 0.0148 1.3269 -0.7547 + 1673SOL OW 6590 0.349 5.432 4.381 0.0815 -0.4386 -0.4021 + 1673SOL HW1 6591 0.424 5.479 4.416 -0.3288 0.0798 -0.2085 + 1673SOL HW2 6592 0.314 5.383 4.456 0.0745 -0.4732 -0.4283 + 1674SOL OW 6593 1.641 3.861 3.813 0.1136 0.0809 -0.0931 + 1674SOL HW1 6594 1.731 3.851 3.844 0.0362 1.1041 0.5219 + 1674SOL HW2 6595 1.604 3.773 3.818 0.7881 -0.1747 0.5913 + 1675SOL OW 6596 1.640 6.047 4.447 0.2035 -0.0119 0.1354 + 1675SOL HW1 6597 1.584 6.122 4.433 -1.4903 -0.9486 1.5508 + 1675SOL HW2 6598 1.690 6.068 4.527 -1.6436 -1.0704 1.6546 + 1676SOL OW 6599 5.213 5.158 2.879 -0.8980 -0.3002 0.3850 + 1676SOL HW1 6600 5.256 5.214 2.944 0.5703 -1.2078 0.2426 + 1676SOL HW2 6601 5.277 5.089 2.862 -2.2821 -1.4678 -0.1656 + 1677SOL OW 6602 0.418 3.024 4.389 -0.0484 -0.1594 -0.1159 + 1677SOL HW1 6603 0.449 3.112 4.407 -1.3821 0.2626 0.2088 + 1677SOL HW2 6604 0.363 3.033 4.311 -1.6341 -0.3625 0.9480 + 1678SOL OW 6605 4.985 3.093 2.419 1.2600 -0.6962 -0.2106 + 1678SOL HW1 6606 5.016 3.170 2.467 -0.0436 0.0989 -0.6049 + 1678SOL HW2 6607 4.929 3.047 2.481 1.5988 -1.0299 -0.1529 + 1679SOL OW 6608 2.893 3.402 4.996 0.1401 0.2524 0.1321 + 1679SOL HW1 6609 2.900 3.481 4.943 1.4361 0.1934 0.1872 + 1679SOL HW2 6610 2.930 3.333 4.940 3.4113 0.5172 1.7395 + 1680SOL OW 6611 5.162 5.932 2.887 -0.0866 -0.3686 -0.3285 + 1680SOL HW1 6612 5.253 5.904 2.879 0.1514 0.4793 -0.6657 + 1680SOL HW2 6613 5.161 6.021 2.853 -1.0527 -0.3825 -0.3650 + 1681SOL OW 6614 1.151 4.620 3.406 0.0579 -0.0798 0.3347 + 1681SOL HW1 6615 1.131 4.712 3.424 0.1540 -0.1110 0.6065 + 1681SOL HW2 6616 1.134 4.609 3.312 0.7546 0.4032 0.1439 + 1682SOL OW 6617 5.878 4.932 2.796 0.2810 -0.3131 0.2840 + 1682SOL HW1 6618 5.930 4.945 2.875 -0.4300 0.2269 0.6784 + 1682SOL HW2 6619 5.872 4.836 2.787 1.9690 -0.3955 -0.2193 + 1683SOL OW 6620 5.879 3.618 3.637 -0.2082 0.5611 -0.1195 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-0.0413 + 1689SOL OW 6638 5.985 5.233 1.711 -0.0540 0.2451 0.1496 + 1689SOL HW1 6639 5.980 5.185 1.794 -0.4595 -1.6092 -0.9072 + 1689SOL HW2 6640 5.922 5.190 1.654 -1.7028 3.1091 -0.4003 + 1690SOL OW 6641 2.108 5.369 3.744 0.5243 -0.4285 -0.5345 + 1690SOL HW1 6642 2.077 5.457 3.765 -0.5747 -0.5232 -1.6120 + 1690SOL HW2 6643 2.195 5.382 3.707 0.9569 0.0518 0.5941 + 1691SOL OW 6644 4.442 3.885 0.740 0.5163 0.5360 0.5200 + 1691SOL HW1 6645 4.397 3.855 0.661 0.7762 0.6983 0.3112 + 1691SOL HW2 6646 4.384 3.950 0.778 -0.0957 -0.2731 1.0204 + 1692SOL OW 6647 0.146 2.454 3.602 0.2979 0.2361 -0.2198 + 1692SOL HW1 6648 0.221 2.505 3.632 -0.7583 3.3854 -2.4269 + 1692SOL HW2 6649 0.069 2.499 3.637 -0.6882 0.4698 -2.4671 + 1693SOL OW 6650 0.468 3.533 4.667 -0.5286 -0.4179 -0.3468 + 1693SOL HW1 6651 0.501 3.537 4.757 -2.0809 -0.8128 0.2734 + 1693SOL HW2 6652 0.543 3.505 4.615 0.2895 -0.6121 0.8991 + 1694SOL OW 6653 5.819 2.200 4.325 -0.3144 0.8759 0.4340 + 1694SOL HW1 6654 5.844 2.191 4.417 0.2622 -2.8792 0.0564 + 1694SOL HW2 6655 5.896 2.170 4.277 -0.5873 2.8350 -1.3492 + 1695SOL OW 6656 4.507 0.552 2.620 -0.4615 -0.1543 0.4727 + 1695SOL HW1 6657 4.585 0.607 2.621 0.0802 -0.9064 0.1240 + 1695SOL HW2 6658 4.480 0.549 2.528 0.7602 -2.1849 0.1387 + 1696SOL OW 6659 5.826 3.597 0.166 0.4744 -0.1031 -0.1356 + 1696SOL HW1 6660 5.876 3.668 0.124 0.9807 -0.1030 0.4524 + 1696SOL HW2 6661 5.846 3.606 0.259 -0.7610 -0.0012 0.1403 + 1697SOL OW 6662 6.168 3.093 2.316 -0.3157 0.3541 0.0909 + 1697SOL HW1 6663 6.175 3.187 2.337 0.4912 0.4871 -0.7025 + 1697SOL HW2 6664 6.192 3.088 2.224 2.3075 -0.9209 0.7386 + 1698SOL OW 6665 2.167 2.615 5.173 0.2694 0.2615 0.7789 + 1698SOL HW1 6666 2.229 2.613 5.100 -0.8826 -2.9746 -0.2712 + 1698SOL HW2 6667 2.084 2.639 5.133 -0.1749 -0.5959 1.1607 + 1699SOL OW 6668 0.490 1.509 1.847 -0.7159 -0.3161 -0.3006 + 1699SOL HW1 6669 0.573 1.485 1.804 -0.4160 -0.5355 0.3840 + 1699SOL HW2 6670 0.515 1.578 1.909 -0.4930 -2.2618 1.9272 + 1700SOL OW 6671 0.026 3.521 3.229 0.3548 -0.1779 0.2368 + 1700SOL HW1 6672 -0.068 3.536 3.236 0.4619 0.8491 -0.2742 + 1700SOL HW2 6673 0.053 3.576 3.156 1.3701 -0.3986 0.4324 + 1701SOL OW 6674 5.422 4.842 1.276 -0.4666 -0.5589 0.2644 + 1701SOL HW1 6675 5.341 4.893 1.284 0.5164 1.5113 -1.6606 + 1701SOL HW2 6676 5.479 4.877 1.344 -1.0324 -1.7932 1.4094 + 1702SOL OW 6677 0.543 3.753 0.603 0.1930 -0.2363 -0.0469 + 1702SOL HW1 6678 0.458 3.788 0.575 -0.2698 -1.1618 0.1451 + 1702SOL HW2 6679 0.546 3.665 0.566 0.5104 -0.6839 0.9978 + 1703SOL OW 6680 1.421 2.974 3.080 -0.3053 -0.2390 0.0073 + 1703SOL HW1 6681 1.500 3.029 3.082 1.0103 -2.0319 0.1532 + 1703SOL HW2 6682 1.390 2.981 2.989 -0.5320 1.1949 0.1726 + 1704SOL OW 6683 5.157 3.524 2.355 -0.2831 0.3388 0.0097 + 1704SOL HW1 6684 5.240 3.493 2.392 0.3696 0.9479 -0.9085 + 1704SOL HW2 6685 5.118 3.445 2.317 0.1997 0.1713 -0.1529 + 1705SOL OW 6686 0.887 3.857 3.564 -0.0052 -0.2223 -0.5441 + 1705SOL HW1 6687 0.962 3.829 3.617 -0.9047 -2.8945 -0.5377 + 1705SOL HW2 6688 0.825 3.893 3.627 -0.6201 -2.3880 0.1722 + 1706SOL OW 6689 4.371 1.349 2.245 -0.1544 0.3326 -0.5482 + 1706SOL HW1 6690 4.339 1.430 2.285 0.7489 0.1941 0.4686 + 1706SOL HW2 6691 4.338 1.353 2.155 1.3487 2.7041 -1.0797 + 1707SOL OW 6692 3.586 4.078 0.595 0.0899 0.3027 -0.0670 + 1707SOL HW1 6693 3.607 3.996 0.550 0.4729 -0.3248 1.2034 + 1707SOL HW2 6694 3.672 4.117 0.615 -0.0875 1.0345 -0.6693 + 1708SOL OW 6695 0.159 1.965 1.149 -0.1277 0.6838 0.0038 + 1708SOL HW1 6696 0.099 2.026 1.190 -0.7667 -0.7062 1.2217 + 1708SOL HW2 6697 0.105 1.917 1.086 0.1478 0.6948 -0.2455 + 1709SOL OW 6698 0.376 4.661 2.818 -1.1505 -0.0189 0.0208 + 1709SOL HW1 6699 0.426 4.614 2.884 -0.8338 -1.0552 -0.9278 + 1709SOL HW2 6700 0.355 4.745 2.859 -1.0671 -0.6781 1.4659 + 1710SOL OW 6701 3.042 0.004 0.348 0.4540 0.3294 -0.2867 + 1710SOL HW1 6702 3.078 -0.036 0.427 -1.9124 0.9405 1.1997 + 1710SOL HW2 6703 3.049 0.098 0.363 -1.4756 0.4692 -0.0284 + 1711SOL OW 6704 6.413 2.840 3.404 0.1006 0.0626 -0.9688 + 1711SOL HW1 6705 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5.860 3.244 2.384 0.0634 0.0004 -0.0839 + 1745SOL HW1 6807 5.877 3.152 2.404 -0.9971 -0.2231 -0.1557 + 1745SOL HW2 6808 5.897 3.256 2.296 -0.5266 -0.5887 -0.4241 + 1746SOL OW 6809 3.518 0.705 0.084 0.4797 -0.0909 0.6857 + 1746SOL HW1 6810 3.531 0.697 -0.010 0.3127 -0.3063 0.6806 + 1746SOL HW2 6811 3.583 0.769 0.112 0.8301 -0.3654 0.4969 + 1747SOL OW 6812 2.287 6.041 5.275 0.1710 -0.3270 -0.3614 + 1747SOL HW1 6813 2.320 6.046 5.365 1.5928 1.3322 -0.9142 + 1747SOL HW2 6814 2.357 5.997 5.226 -0.5830 -1.2021 -0.6715 + 1748SOL OW 6815 6.158 3.372 5.088 -0.5528 0.1818 -0.2622 + 1748SOL HW1 6816 6.114 3.287 5.086 -0.9081 0.3653 -1.7724 + 1748SOL HW2 6817 6.088 3.435 5.075 -0.2595 0.7054 0.6212 + 1749SOL OW 6818 5.466 2.024 1.018 0.5112 0.4258 -0.2053 + 1749SOL HW1 6819 5.518 2.066 1.087 -0.6405 1.2742 0.1619 + 1749SOL HW2 6820 5.461 1.933 1.045 1.1731 0.4815 0.1426 + 1750SOL OW 6821 6.214 5.321 1.615 -0.4485 0.5010 -0.0963 + 1750SOL HW1 6822 6.133 5.295 1.658 -0.3172 0.1563 -0.0574 + 1750SOL 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1756SOL HW1 6840 5.126 2.459 3.823 0.1993 -0.3538 0.1449 + 1756SOL HW2 6841 5.234 2.545 3.884 -0.0707 0.3804 -0.3957 + 1757SOL OW 6842 0.622 4.269 4.525 -0.5614 -0.1455 -0.0281 + 1757SOL HW1 6843 0.578 4.184 4.532 -0.1590 -0.2322 2.0086 + 1757SOL HW2 6844 0.702 4.259 4.575 0.1079 1.0822 -0.8034 + 1758SOL OW 6845 6.097 0.682 3.026 0.2586 -0.2219 0.5551 + 1758SOL HW1 6846 6.053 0.738 3.090 0.1863 0.3304 0.0424 + 1758SOL HW2 6847 6.054 0.704 2.943 -1.3028 -2.6425 0.6551 + 1759SOL OW 6848 0.989 4.872 2.199 0.0334 0.2007 -0.4488 + 1759SOL HW1 6849 0.940 4.881 2.281 1.1129 -1.4418 0.4322 + 1759SOL HW2 6850 0.970 4.783 2.169 1.5628 -0.0937 -0.6410 + 1760SOL OW 6851 4.996 4.307 2.507 -0.3904 0.3102 -0.6459 + 1760SOL HW1 6852 4.978 4.230 2.453 -1.1162 -1.2407 1.6666 + 1760SOL HW2 6853 4.918 4.361 2.499 -0.8978 -0.3789 -0.3920 + 1761SOL OW 6854 6.122 2.735 2.594 -0.1842 0.4883 0.1061 + 1761SOL HW1 6855 6.129 2.774 2.681 1.4910 -1.6153 0.9995 + 1761SOL HW2 6856 6.198 2.768 2.547 -0.4942 0.7591 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4.806 2.613 0.3354 -0.4290 0.1826 + 1779SOL OW 6908 5.913 5.788 2.043 -0.1815 0.0046 0.5015 + 1779SOL HW1 6909 5.875 5.702 2.063 0.6512 -0.5159 -0.0867 + 1779SOL HW2 6910 6.006 5.778 2.060 -0.0990 0.8346 0.5540 + 1780SOL OW 6911 2.193 1.448 2.654 -0.1041 0.3657 -0.4779 + 1780SOL HW1 6912 2.228 1.383 2.592 -0.2331 1.3781 -1.6536 + 1780SOL HW2 6913 2.134 1.502 2.601 0.2281 1.6209 0.3952 + 1781SOL OW 6914 0.967 5.460 2.780 0.1972 -0.6880 -0.4054 + 1781SOL HW1 6915 0.964 5.527 2.711 1.8663 -0.3338 -0.1715 + 1781SOL HW2 6916 0.939 5.506 2.859 0.0653 -0.6206 -0.4897 + 1782SOL OW 6917 5.652 0.623 0.548 -0.3718 0.3630 -0.2666 + 1782SOL HW1 6918 5.696 0.538 0.548 -0.4625 0.3161 -0.4195 + 1782SOL HW2 6919 5.609 0.629 0.634 -1.3239 -0.2361 -0.6907 + 1783SOL OW 6920 1.524 5.349 2.255 -0.0896 0.2894 -0.4077 + 1783SOL HW1 6921 1.447 5.332 2.202 0.0117 0.1037 -0.4936 + 1783SOL HW2 6922 1.555 5.435 2.227 -0.4211 0.4831 -0.1848 + 1784SOL OW 6923 1.511 5.824 2.273 0.0269 -0.5074 0.7687 + 1784SOL HW1 6924 1.451 5.866 2.211 1.1114 -1.2515 -0.8634 + 1784SOL HW2 6925 1.459 5.810 2.352 -2.1783 -1.7462 -0.7999 + 1785SOL OW 6926 1.143 0.889 4.912 -0.0554 0.0958 -0.0905 + 1785SOL HW1 6927 1.206 0.851 4.973 1.0971 1.3459 -0.4378 + 1785SOL HW2 6928 1.086 0.943 4.966 0.5405 0.6696 -0.0240 + 1786SOL OW 6929 1.321 1.541 2.805 0.0706 0.2976 0.1417 + 1786SOL HW1 6930 1.332 1.636 2.801 0.6417 0.2139 -0.4412 + 1786SOL HW2 6931 1.349 1.517 2.893 -0.0367 0.6640 0.2774 + 1787SOL OW 6932 0.678 2.627 2.557 0.2289 0.6066 -0.0759 + 1787SOL HW1 6933 0.702 2.624 2.649 0.0970 0.5717 -0.0420 + 1787SOL HW2 6934 0.666 2.535 2.533 -1.9696 0.6956 0.4682 + 1788SOL OW 6935 6.322 3.934 3.098 -0.8718 0.2211 0.2038 + 1788SOL HW1 6936 6.266 3.859 3.119 -0.9483 0.5955 1.4161 + 1788SOL HW2 6937 6.405 3.915 3.142 -0.7532 0.6521 0.1654 + 1789SOL OW 6938 3.298 2.924 4.904 -0.0770 -0.6215 0.1641 + 1789SOL HW1 6939 3.308 2.949 4.812 0.8555 -0.0977 0.3934 + 1789SOL HW2 6940 3.235 2.852 4.903 -1.2907 0.3998 -0.7301 + 1790SOL OW 6941 4.942 4.839 5.041 -0.7359 0.0340 0.5330 + 1790SOL HW1 6942 4.969 4.836 5.133 1.7391 -0.8162 -0.1537 + 1790SOL HW2 6943 4.983 4.919 5.007 -0.0008 -0.6615 -0.2665 + 1791SOL OW 6944 5.548 3.672 3.685 0.3785 0.1256 -0.2106 + 1791SOL HW1 6945 5.487 3.622 3.631 0.0157 -0.7072 0.9232 + 1791SOL HW2 6946 5.629 3.674 3.635 -0.3378 0.5595 -1.3833 + 1792SOL OW 6947 5.586 2.709 4.121 -0.5184 -0.1607 0.3828 + 1792SOL HW1 6948 5.607 2.632 4.066 -0.1382 0.3978 -0.2741 + 1792SOL HW2 6949 5.601 2.784 4.063 0.7787 0.5015 1.5051 + 1793SOL OW 6950 6.017 2.578 3.881 -0.5004 -0.2240 -0.4889 + 1793SOL HW1 6951 6.054 2.491 3.872 3.1395 1.0881 0.2709 + 1793SOL HW2 6952 5.977 2.579 3.968 2.9844 -0.1189 1.2868 + 1794SOL OW 6953 3.323 1.891 1.094 -0.5155 -0.5980 -0.0363 + 1794SOL HW1 6954 3.351 1.887 1.186 -2.1545 1.4099 0.6161 + 1794SOL HW2 6955 3.372 1.964 1.057 0.0168 -1.2961 -0.7484 + 1795SOL OW 6956 0.016 4.359 4.472 0.3855 -0.4764 0.3854 + 1795SOL HW1 6957 0.092 4.396 4.427 0.5207 -2.5194 -1.2113 + 1795SOL HW2 6958 0.043 4.271 4.498 -1.1352 -0.9028 0.6538 + 1796SOL OW 6959 4.440 5.582 0.338 0.6444 0.0260 0.3012 + 1796SOL HW1 6960 4.472 5.666 0.306 0.0612 0.0275 -0.3010 + 1796SOL HW2 6961 4.345 5.593 0.341 0.5890 -0.5055 0.5251 + 1797SOL OW 6962 6.427 3.122 4.036 0.2010 0.2373 0.3081 + 1797SOL HW1 6963 6.463 3.040 4.069 -1.7428 -0.5838 0.5070 + 1797SOL HW2 6964 6.485 3.147 3.964 0.8976 -1.2317 0.3398 + 1798SOL OW 6965 0.702 1.427 4.003 0.1248 0.0638 -0.2638 + 1798SOL HW1 6966 0.788 1.467 4.018 -0.4088 0.4042 2.2477 + 1798SOL HW2 6967 0.684 1.444 3.910 2.7396 -0.0354 -0.8736 + 1799SOL OW 6968 2.140 3.981 4.208 -0.2132 0.2447 -0.1361 + 1799SOL HW1 6969 2.179 4.032 4.279 -0.9946 1.2521 -0.4091 + 1799SOL HW2 6970 2.049 3.968 4.234 -0.3520 0.1085 -0.6794 + 1800SOL OW 6971 6.296 2.013 0.001 0.0396 -0.0195 -0.1096 + 1800SOL HW1 6972 6.250 1.966 0.071 1.0139 -0.9240 -0.0586 + 1800SOL HW2 6973 6.227 2.035 -0.062 -0.1275 -4.3064 -1.7396 + 1801SOL OW 6974 5.832 3.949 5.250 0.0966 -0.1386 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4.974 0.5024 0.9537 -0.2941 + 1925SOL OW 7346 1.910 5.034 4.227 -0.8130 0.1105 -0.3775 + 1925SOL HW1 7347 1.863 4.994 4.154 -0.5047 -0.6012 -0.1955 + 1925SOL HW2 7348 1.871 5.120 4.237 -1.0925 0.0792 -1.1630 + 1926SOL OW 7349 5.516 4.733 0.058 -0.0261 -0.2223 0.7522 + 1926SOL HW1 7350 5.494 4.818 0.097 -1.3055 -0.3802 0.4258 + 1926SOL HW2 7351 5.501 4.746 -0.036 2.7350 0.0732 0.2500 + 1927SOL OW 7352 3.147 2.097 0.096 0.0775 -0.4290 0.4058 + 1927SOL HW1 7353 3.240 2.083 0.110 0.2306 0.0311 -0.1349 + 1927SOL HW2 7354 3.141 2.133 0.008 -0.4518 1.2444 1.0934 + 1928SOL OW 7355 0.186 3.845 4.422 0.1458 -0.2921 0.0853 + 1928SOL HW1 7356 0.160 3.814 4.509 1.6439 -0.1131 0.6228 + 1928SOL HW2 7357 0.281 3.834 4.419 0.2059 0.3066 -1.2933 + 1929SOL OW 7358 2.022 2.632 0.242 0.3765 0.2021 0.0792 + 1929SOL HW1 7359 2.023 2.662 0.151 -0.3877 0.7746 0.2511 + 1929SOL HW2 7360 2.034 2.538 0.237 -0.5144 0.1167 -0.6659 + 1930SOL OW 7361 1.982 2.992 2.659 0.1090 -0.2969 0.3480 + 1930SOL HW1 7362 1.893 2.982 2.625 -0.2213 1.3027 0.6631 + 1930SOL HW2 7363 1.976 2.963 2.750 0.2179 -1.3571 0.0366 + 1931SOL OW 7364 3.423 0.017 2.580 -0.8834 0.3911 0.3238 + 1931SOL HW1 7365 3.380 0.102 2.577 -1.9033 -0.1087 0.0614 + 1931SOL HW2 7366 3.372 -0.033 2.643 -1.8718 -0.8216 -1.3578 + 1932SOL OW 7367 6.500 4.947 3.999 -0.2728 0.1521 0.3016 + 1932SOL HW1 7368 6.569 4.997 3.956 -1.4599 3.0850 1.5446 + 1932SOL HW2 7369 6.528 4.941 4.090 -1.6482 1.5105 0.8568 + 1933SOL OW 7370 1.835 3.390 0.671 0.2652 0.7075 0.1481 + 1933SOL HW1 7371 1.768 3.370 0.736 0.5750 -1.5974 -0.1706 + 1933SOL HW2 7372 1.918 3.369 0.714 0.4859 -0.6475 -0.8574 + 1934SOL OW 7373 0.574 3.077 3.226 0.6089 0.2618 -0.4766 + 1934SOL HW1 7374 0.485 3.074 3.190 0.3043 -1.6148 0.3382 + 1934SOL HW2 7375 0.584 3.166 3.258 -1.2596 0.3004 0.0807 + 1935SOL OW 7376 1.591 5.411 1.078 0.5844 0.2193 -0.2154 + 1935SOL HW1 7377 1.511 5.359 1.069 1.0790 -0.9458 1.5413 + 1935SOL HW2 7378 1.599 5.457 0.994 -1.3656 -0.4082 -0.8066 + 1936SOL OW 7379 3.437 2.093 0.090 -0.1288 -0.0555 0.4995 + 1936SOL HW1 7380 3.528 2.080 0.116 0.7139 0.3731 -1.9641 + 1936SOL HW2 7381 3.442 2.143 0.008 -2.5970 0.3069 0.4952 + 1937SOL OW 7382 1.869 2.918 5.291 -0.1915 0.0931 -0.0949 + 1937SOL HW1 7383 1.887 2.986 5.356 -0.7896 -0.1061 0.2872 + 1937SOL HW2 7384 1.781 2.887 5.313 0.4518 -1.4977 0.3661 + 1938SOL OW 7385 3.003 0.690 0.247 -0.2643 -0.2841 0.3185 + 1938SOL HW1 7386 3.001 0.594 0.242 -1.7679 -0.2673 0.2304 + 1938SOL HW2 7387 2.952 0.710 0.325 1.7535 0.3983 1.5237 + 1939SOL OW 7388 3.486 1.918 0.749 -0.2668 0.7376 0.5543 + 1939SOL HW1 7389 3.390 1.914 0.745 -0.2433 1.3418 -1.7211 + 1939SOL HW2 7390 3.508 2.004 0.714 1.0732 1.5772 3.2090 + 1940SOL OW 7391 2.218 2.546 4.046 0.3422 -0.5469 -0.3818 + 1940SOL HW1 7392 2.311 2.555 4.026 0.0892 -0.3832 -1.5383 + 1940SOL HW2 7393 2.205 2.452 4.055 0.5637 -0.5938 -0.5305 + 1941SOL OW 7394 4.809 1.830 0.455 -0.3287 0.6337 0.4792 + 1941SOL HW1 7395 4.815 1.877 0.371 2.1439 -0.4639 -0.0332 + 1941SOL HW2 7396 4.899 1.805 0.475 -1.2397 -1.8766 1.8819 + 1942SOL OW 7397 3.333 1.559 3.982 -0.2295 -0.4549 -0.1010 + 1942SOL HW1 7398 3.409 1.510 4.012 0.1265 1.2369 1.9941 + 1942SOL HW2 7399 3.369 1.630 3.929 -0.3856 -0.0727 0.2964 + 1943SOL OW 7400 0.168 0.926 5.281 -0.2150 0.0070 0.2899 + 1943SOL HW1 7401 0.205 0.909 5.194 -0.3574 -0.9840 0.4122 + 1943SOL HW2 7402 0.074 0.918 5.270 -0.3102 0.9408 0.3220 + 1944SOL OW 7403 2.612 4.193 4.388 0.2559 -0.7145 -0.1113 + 1944SOL HW1 7404 2.615 4.216 4.481 0.9122 0.1094 -0.3250 + 1944SOL HW2 7405 2.597 4.098 4.388 2.9084 -1.2336 0.9297 + 1945SOL OW 7406 1.132 3.735 2.229 0.1126 -0.0521 0.6916 + 1945SOL HW1 7407 1.210 3.788 2.209 -0.2381 0.2675 0.1310 + 1945SOL HW2 7408 1.165 3.661 2.280 0.7923 0.0444 0.3996 + 1946SOL OW 7409 5.941 0.235 5.341 0.1448 -0.2813 -0.1036 + 1946SOL HW1 7410 5.955 0.183 5.262 2.8303 -0.1510 0.1856 + 1946SOL HW2 7411 6.023 0.228 5.389 -1.4039 -0.4077 2.7656 + 1947SOL OW 7412 1.207 6.154 4.746 -0.8940 -0.3189 -0.4058 + 1947SOL HW1 7413 1.154 6.226 4.712 -1.9479 -1.6487 -1.7160 + 1947SOL HW2 7414 1.272 6.139 4.677 -1.2989 -1.2387 -0.5936 + 1948SOL OW 7415 5.749 1.568 2.910 0.0702 0.5140 -0.3679 + 1948SOL HW1 7416 5.835 1.593 2.875 -0.2620 -0.3601 -1.9507 + 1948SOL HW2 7417 5.687 1.622 2.861 -0.3872 -0.3250 -0.7353 + 1949SOL OW 7418 4.905 3.726 1.157 -0.5874 -0.5287 -0.4930 + 1949SOL HW1 7419 4.850 3.714 1.234 0.3306 -0.7489 0.1440 + 1949SOL HW2 7420 4.988 3.758 1.192 -0.7132 1.0683 -1.5438 + 1950SOL OW 7421 2.067 3.366 3.446 -0.4519 0.2406 -0.0348 + 1950SOL HW1 7422 2.076 3.317 3.527 1.2472 0.9378 0.2452 + 1950SOL HW2 7423 2.143 3.425 3.445 -0.7725 0.6891 -1.8206 + 1951SOL OW 7424 5.110 4.938 3.974 -0.0799 0.4097 0.2571 + 1951SOL HW1 7425 5.067 4.883 4.040 -1.3762 1.2474 0.1559 + 1951SOL HW2 7426 5.116 5.024 4.015 -3.3127 1.6621 -1.5146 + 1952SOL OW 7427 3.196 2.670 1.531 -0.5187 -0.3178 0.3303 + 1952SOL HW1 7428 3.190 2.649 1.437 0.0270 0.2549 0.1674 + 1952SOL HW2 7429 3.289 2.676 1.548 -0.6402 1.0486 0.5830 + 1953SOL OW 7430 6.094 0.696 5.319 0.4194 0.2423 0.4449 + 1953SOL HW1 7431 6.047 0.758 5.375 1.2082 0.1832 1.1981 + 1953SOL HW2 7432 6.026 0.638 5.285 -0.5481 2.2793 -1.3381 + 1954SOL OW 7433 5.408 3.219 1.850 0.3185 -0.3704 0.2535 + 1954SOL HW1 7434 5.417 3.126 1.873 -2.3609 -1.0355 -0.9572 + 1954SOL HW2 7435 5.336 3.250 1.905 -1.6591 -0.2248 -2.2528 + 1955SOL OW 7436 0.335 3.215 2.884 -0.2404 0.0758 0.0393 + 1955SOL HW1 7437 0.243 3.200 2.905 -0.0880 1.5125 1.9389 + 1955SOL HW2 7438 0.355 3.301 2.920 2.3566 -0.9896 1.4444 + 1956SOL OW 7439 1.738 5.738 5.258 -0.5633 -0.3758 -0.3691 + 1956SOL HW1 7440 1.705 5.651 5.279 -0.2394 -0.3720 0.1603 + 1956SOL HW2 7441 1.822 5.744 5.303 -0.5740 0.2026 -0.4186 + 1957SOL OW 7442 1.689 0.155 0.530 0.3307 0.2579 -0.4250 + 1957SOL HW1 7443 1.595 0.173 0.531 0.2155 -0.1622 -1.7994 + 1957SOL HW2 7444 1.727 0.230 0.483 0.4982 -0.3187 -1.2189 + 1958SOL OW 7445 5.150 5.634 0.275 0.5051 0.1038 -0.5632 + 1958SOL HW1 7446 5.154 5.690 0.198 0.8138 0.1829 -0.4933 + 1958SOL HW2 7447 5.209 5.676 0.338 1.6348 -0.9067 -0.9168 + 1959SOL OW 7448 1.663 0.908 0.539 -0.3567 -0.6207 0.0612 + 1959SOL HW1 7449 1.729 0.840 0.545 -1.6579 -1.8951 0.5546 + 1959SOL HW2 7450 1.641 0.929 0.630 -1.3777 -0.9890 -0.0838 + 1960SOL OW 7451 5.567 3.500 0.228 -0.4213 0.0120 0.9364 + 1960SOL HW1 7452 5.573 3.406 0.211 -1.7258 0.2536 -1.3326 + 1960SOL HW2 7453 5.645 3.537 0.188 -1.0827 0.0785 -0.3681 + 1961SOL OW 7454 2.014 0.323 3.034 -0.4792 -0.2634 -0.5416 + 1961SOL HW1 7455 2.050 0.285 2.953 0.8284 -0.7467 0.2445 + 1961SOL HW2 7456 2.085 0.377 3.069 -0.5594 -1.0992 0.9655 + 1962SOL OW 7457 6.108 5.249 3.503 0.1568 0.0726 0.7872 + 1962SOL HW1 7458 6.094 5.167 3.550 1.2360 -1.1380 -0.8943 + 1962SOL HW2 7459 6.116 5.223 3.411 -1.1397 2.2589 -0.0139 + 1963SOL OW 7460 0.553 5.521 2.933 -0.1915 0.4164 0.2490 + 1963SOL HW1 7461 0.579 5.595 2.878 -0.1707 0.3499 0.1708 + 1963SOL HW2 7462 0.542 5.448 2.873 2.5954 -0.4085 0.6237 + 1964SOL OW 7463 3.132 0.009 2.345 0.1076 0.0855 -0.7753 + 1964SOL HW1 7464 3.124 0.036 2.253 0.2612 0.8493 -0.5715 + 1964SOL HW2 7465 3.143 0.091 2.393 1.1898 -0.3862 -0.1939 + 1965SOL OW 7466 5.124 2.841 3.718 -0.6096 -0.5251 0.3461 + 1965SOL HW1 7467 5.193 2.788 3.757 -1.0679 1.0996 3.6657 + 1965SOL HW2 7468 5.046 2.822 3.770 -1.6343 0.7844 -0.6340 + 1966SOL OW 7469 3.365 3.911 5.227 0.0803 0.0964 0.6225 + 1966SOL HW1 7470 3.346 3.999 5.196 -0.9412 0.6663 2.6464 + 1966SOL HW2 7471 3.347 3.854 5.152 -2.7304 1.3072 0.2558 + 1967SOL OW 7472 0.164 3.454 1.803 0.1125 -0.1667 -0.0380 + 1967SOL HW1 7473 0.166 3.467 1.898 -0.7489 -1.3515 0.1554 + 1967SOL HW2 7474 0.083 3.498 1.775 0.0579 -0.3293 -0.1364 + 1968SOL OW 7475 1.383 2.230 1.884 0.0209 0.1509 0.7856 + 1968SOL HW1 7476 1.314 2.294 1.864 -0.3157 -0.5323 -0.3642 + 1968SOL HW2 7477 1.448 2.243 1.815 1.5180 1.3732 2.3323 + 1969SOL OW 7478 3.353 0.836 0.649 -0.2381 0.0608 0.4639 + 1969SOL HW1 7479 3.435 0.851 0.697 1.2548 -2.0382 -1.2346 + 1969SOL HW2 7480 3.371 0.867 0.560 -1.0159 -1.0806 -0.1113 + 1970SOL OW 7481 3.605 3.207 0.931 -0.0428 -0.3685 -0.2481 + 1970SOL HW1 7482 3.686 3.158 0.942 1.5553 2.0068 -0.6263 + 1970SOL HW2 7483 3.612 3.280 0.994 -1.3821 0.5060 -1.0452 + 1971SOL OW 7484 3.705 3.726 1.122 -0.0212 -0.0346 -0.1760 + 1971SOL HW1 7485 3.767 3.742 1.050 1.4034 -0.6732 0.8548 + 1971SOL HW2 7486 3.761 3.704 1.197 -1.5125 -0.4676 0.8494 + 1972SOL OW 7487 3.219 0.708 0.052 -0.3380 -0.0822 0.2516 + 1972SOL HW1 7488 3.169 0.698 0.134 0.0679 -0.6871 0.4337 + 1972SOL HW2 7489 3.310 0.707 0.080 -0.2044 0.0993 -0.1770 + 1973SOL OW 7490 2.587 0.810 0.724 0.3252 -0.1037 -0.0478 + 1973SOL HW1 7491 2.660 0.849 0.677 -0.4806 0.8395 -0.5705 + 1973SOL HW2 7492 2.512 0.820 0.665 -0.6095 0.6348 1.1953 + 1974SOL OW 7493 6.442 0.267 0.621 0.3295 -0.3750 0.5110 + 1974SOL HW1 7494 6.361 0.284 0.573 -0.3150 -1.2870 1.2339 + 1974SOL HW2 7495 6.421 0.293 0.711 1.2425 0.5239 0.4749 + 1975SOL OW 7496 6.166 4.172 3.021 -0.4353 0.8024 -0.0710 + 1975SOL HW1 7497 6.208 4.146 3.102 0.1442 1.7853 -0.0337 + 1975SOL HW2 7498 6.090 4.114 3.013 1.5302 -1.8376 -0.7580 + 1976SOL OW 7499 3.219 0.735 1.213 -0.0210 0.0674 -0.0747 + 1976SOL HW1 7500 3.194 0.751 1.304 -1.6405 -1.7052 -0.1391 + 1976SOL HW2 7501 3.289 0.798 1.196 2.4453 -1.3859 3.3268 + 1977SOL OW 7502 0.511 3.383 1.236 -0.1425 -0.3459 0.1874 + 1977SOL HW1 7503 0.479 3.347 1.153 -0.7457 1.2779 -0.3131 + 1977SOL HW2 7504 0.595 3.424 1.214 -0.5793 0.5941 0.2494 + 1978SOL OW 7505 0.861 3.325 4.566 -0.1850 0.1846 -0.0936 + 1978SOL HW1 7506 0.804 3.271 4.511 -0.7931 -0.7068 1.3715 + 1978SOL HW2 7507 0.917 3.262 4.611 -0.3542 0.8249 1.0349 + 1979SOL OW 7508 2.228 4.226 5.320 0.5356 0.0083 -0.3949 + 1979SOL HW1 7509 2.155 4.181 5.363 0.4113 -0.9292 -1.5346 + 1979SOL HW2 7510 2.302 4.166 5.328 0.7179 0.1745 -0.7901 + 1980SOL OW 7511 5.772 2.200 2.692 -0.1135 -0.2265 0.1818 + 1980SOL HW1 7512 5.816 2.160 2.767 -1.7028 -0.4673 1.0319 + 1980SOL HW2 7513 5.757 2.127 2.632 1.6958 0.0669 -0.6952 + 1981SOL OW 7514 2.225 5.274 2.724 0.2888 -0.5290 -0.0157 + 1981SOL HW1 7515 2.298 5.212 2.732 -0.5496 -1.5967 -0.3645 + 1981SOL HW2 7516 2.232 5.308 2.635 1.2803 0.5837 0.4677 + 1982SOL OW 7517 1.416 4.857 2.505 0.3156 0.0627 -0.0790 + 1982SOL HW1 7518 1.397 4.935 2.453 0.5906 -0.7492 -1.4467 + 1982SOL HW2 7519 1.386 4.878 2.593 -1.0262 1.1410 -0.7760 + 1983SOL OW 7520 2.901 5.305 4.431 0.0156 0.6725 0.2519 + 1983SOL HW1 7521 2.867 5.290 4.342 -0.1367 -0.5418 0.4924 + 1983SOL HW2 7522 2.970 5.370 4.419 0.8471 -0.3742 -0.9571 + 1984SOL OW 7523 5.574 4.791 5.124 -0.4239 0.2655 -0.0700 + 1984SOL HW1 7524 5.566 4.864 5.063 1.4842 -0.4460 -1.2515 + 1984SOL HW2 7525 5.525 4.818 5.201 -2.5194 1.4028 -1.7120 + 1985SOL OW 7526 3.983 1.112 3.093 -0.2106 -0.9772 0.2921 + 1985SOL HW1 7527 4.041 1.045 3.128 2.0452 0.0007 -1.3215 + 1985SOL HW2 7528 3.959 1.081 3.006 -0.0690 -0.2490 -0.0207 + 1986SOL OW 7529 2.716 2.916 0.335 0.2841 0.1666 0.0965 + 1986SOL HW1 7530 2.657 2.992 0.343 -0.6791 -0.6440 0.9851 + 1986SOL HW2 7531 2.785 2.933 0.398 -0.6818 -0.3304 1.3298 + 1987SOL OW 7532 4.158 2.049 0.138 0.6724 0.4063 0.4315 + 1987SOL HW1 7533 4.140 1.991 0.212 0.6131 1.5149 1.3175 + 1987SOL HW2 7534 4.253 2.059 0.137 0.6416 0.7466 0.6490 + 1988SOL OW 7535 5.728 3.304 5.006 0.1119 -0.0826 -0.0290 + 1988SOL HW1 7536 5.647 3.286 5.054 -0.5003 -2.0950 -1.6789 + 1988SOL HW2 7537 5.797 3.281 5.068 -0.5375 1.2138 1.2396 + 1989SOL OW 7538 2.695 5.344 0.679 0.5553 -0.4943 0.3106 + 1989SOL HW1 7539 2.712 5.263 0.727 0.6944 0.0054 1.1305 + 1989SOL HW2 7540 2.778 5.366 0.638 0.4741 -0.8523 -0.0478 + 1990SOL OW 7541 5.709 5.265 4.781 0.3339 0.2578 -0.0171 + 1990SOL HW1 7542 5.785 5.299 4.829 1.2806 -0.7036 -0.7818 + 1990SOL HW2 7543 5.634 5.302 4.827 1.2228 0.2436 1.5518 + 1991SOL OW 7544 0.461 3.799 0.865 -0.4346 0.0961 -0.4686 + 1991SOL HW1 7545 0.480 3.770 0.776 -4.2156 -0.4731 -1.2516 + 1991SOL HW2 7546 0.448 3.718 0.914 -0.1920 0.4325 0.1624 + 1992SOL OW 7547 0.764 3.812 4.397 -0.1999 0.1064 0.4111 + 1992SOL HW1 7548 0.730 3.756 4.467 0.9606 1.9121 2.5493 + 1992SOL HW2 7549 0.859 3.796 4.398 -0.1506 0.2599 -0.6934 + 1993SOL OW 7550 1.989 2.134 3.624 0.5613 -0.6032 0.2054 + 1993SOL HW1 7551 1.991 2.039 3.616 1.0297 -0.7348 1.5798 + 1993SOL HW2 7552 1.913 2.152 3.679 -0.0109 -0.1048 -0.7218 + 1994SOL OW 7553 4.693 -0.024 2.781 0.0024 0.0313 -0.5221 + 1994SOL HW1 7554 4.734 0.013 2.860 0.2480 -2.3155 0.5522 + 1994SOL HW2 7555 4.611 0.025 2.771 -0.8337 -0.6273 2.2044 + 1995SOL OW 7556 0.493 5.003 4.894 0.4772 -0.1852 0.3757 + 1995SOL HW1 7557 0.523 5.090 4.869 0.1491 0.0266 0.6935 + 1995SOL HW2 7558 0.455 4.967 4.815 -0.4078 0.4119 0.5049 + 1996SOL OW 7559 0.263 5.755 5.031 0.0687 -0.0233 0.1275 + 1996SOL HW1 7560 0.284 5.706 4.951 0.4797 -1.0944 0.8771 + 1996SOL HW2 7561 0.347 5.784 5.065 0.1540 -1.6817 1.4699 + 1997SOL OW 7562 4.084 4.705 5.218 0.4378 0.1969 -0.3614 + 1997SOL HW1 7563 4.068 4.617 5.252 -1.4049 0.7308 0.2709 + 1997SOL HW2 7564 4.172 4.727 5.249 -0.1389 -0.3750 1.8435 + 1998SOL OW 7565 6.126 0.960 1.156 -0.2135 0.1112 0.6053 + 1998SOL HW1 7566 6.125 0.925 1.067 2.9193 -1.1690 0.9428 + 1998SOL HW2 7567 6.168 1.045 1.148 -0.1593 0.1039 0.8030 + 1999SOL OW 7568 6.284 4.192 3.534 0.1028 0.4456 0.4428 + 1999SOL HW1 7569 6.250 4.281 3.541 -2.6780 -0.4301 -0.6299 + 1999SOL HW2 7570 6.317 4.185 3.445 -1.0623 0.0066 0.0279 + 2000SOL OW 7571 6.460 5.120 2.471 0.4866 -0.4847 -0.1436 + 2000SOL HW1 7572 6.435 5.159 2.387 -0.1790 -2.2401 -0.8158 + 2000SOL HW2 7573 6.473 5.195 2.530 1.5358 0.8261 -1.9418 + 2001SOL OW 7574 2.202 1.527 4.030 0.1340 0.0632 0.1975 + 2001SOL HW1 7575 2.187 1.609 4.077 -0.1908 -0.4536 1.0222 + 2001SOL HW2 7576 2.197 1.460 4.098 -1.5771 -0.8293 -0.7719 + 2002SOL OW 7577 1.554 0.943 4.654 0.0822 -0.0987 -0.1379 + 2002SOL HW1 7578 1.473 0.919 4.698 -0.0305 0.6159 0.0549 + 2002SOL HW2 7579 1.553 1.038 4.651 0.5465 -0.1076 -0.8357 + 2003SOL OW 7580 2.386 0.754 4.823 0.4616 -0.6959 0.0223 + 2003SOL HW1 7581 2.427 0.712 4.747 -1.5348 0.0258 -1.5676 + 2003SOL HW2 7582 2.327 0.688 4.858 0.0115 -0.4430 -0.2378 + 2004SOL OW 7583 5.733 4.372 0.481 -0.0609 0.8478 0.0349 + 2004SOL HW1 7584 5.718 4.301 0.418 1.2941 -0.0212 0.6456 + 2004SOL HW2 7585 5.753 4.448 0.427 1.4575 0.0243 -0.6327 + 2005SOL OW 7586 2.983 3.185 1.823 0.0787 -0.6377 -0.5240 + 2005SOL HW1 7587 3.042 3.156 1.753 -2.5333 -1.1323 -2.7032 + 2005SOL HW2 7588 2.930 3.108 1.843 0.4550 -0.3627 1.7503 + 2006SOL OW 7589 6.194 5.863 3.040 0.1652 -0.6103 -0.0621 + 2006SOL HW1 7590 6.255 5.930 3.072 -0.9136 0.4694 -0.1780 + 2006SOL HW2 7591 6.212 5.857 2.947 -0.8199 0.7576 -0.3787 + 2007SOL OW 7592 4.710 5.785 2.643 -0.1760 -0.4675 -0.0445 + 2007SOL HW1 7593 4.718 5.769 2.737 -0.9520 -0.4473 0.0262 + 2007SOL HW2 7594 4.660 5.711 2.610 -2.1894 0.8058 -0.0146 + 2008SOL OW 7595 0.358 2.739 3.547 0.2008 -0.5216 -0.1069 + 2008SOL HW1 7596 0.292 2.699 3.490 1.0158 -0.2711 -1.2508 + 2008SOL HW2 7597 0.397 2.808 3.494 1.6802 -0.9459 0.3840 + 2009SOL OW 7598 2.233 1.374 1.536 -0.6607 -0.0829 -0.9687 + 2009SOL HW1 7599 2.278 1.293 1.510 -1.3661 -0.9849 0.5121 + 2009SOL HW2 7600 2.201 1.357 1.625 1.9349 2.9586 0.7651 + 2010SOL OW 7601 4.733 0.707 2.555 -0.0911 -0.0555 -0.1193 + 2010SOL HW1 7602 4.752 0.647 2.482 0.4392 1.5786 -1.3766 + 2010SOL HW2 7603 4.817 0.749 2.573 -0.4506 0.2841 0.7922 + 2011SOL OW 7604 3.734 2.003 5.369 0.2376 -0.1691 -0.2138 + 2011SOL HW1 7605 3.721 1.912 5.342 -3.7365 1.0154 -3.2736 + 2011SOL HW2 7606 3.791 2.040 5.302 0.1295 0.0572 -0.1815 + 2012SOL OW 7607 6.328 0.874 0.612 0.2811 0.0800 0.0249 + 2012SOL HW1 7608 6.395 0.895 0.547 -0.3599 -0.6771 -0.9070 + 2012SOL HW2 7609 6.280 0.956 0.623 -1.1531 -0.3340 -2.3343 + 2013SOL OW 7610 6.224 0.160 3.417 0.3481 0.0149 0.6458 + 2013SOL HW1 7611 6.157 0.102 3.381 -1.4808 -0.3000 4.0665 + 2013SOL HW2 7612 6.237 0.227 3.350 -1.4677 -1.3778 -1.2276 + 2014SOL OW 7613 2.517 4.084 4.863 0.0050 -0.0551 -0.0214 + 2014SOL HW1 7614 2.573 4.027 4.915 0.9662 1.3637 0.5833 + 2014SOL HW2 7615 2.429 4.071 4.899 0.1282 -1.4086 -0.1691 + 2015SOL OW 7616 5.896 1.566 1.404 0.1766 0.4416 0.0709 + 2015SOL HW1 7617 5.847 1.499 1.357 1.0996 -1.4436 1.6721 + 2015SOL HW2 7618 5.987 1.553 1.377 0.2563 1.8228 -0.4423 + 2016SOL OW 7619 0.183 1.239 2.092 0.5544 0.4038 0.2381 + 2016SOL HW1 7620 0.224 1.249 2.006 -1.5497 0.1537 -0.8783 + 2016SOL HW2 7621 0.232 1.170 2.135 0.7418 -0.5342 -1.4010 + 2017SOL OW 7622 5.274 3.091 0.376 1.0445 -0.1501 0.2952 + 2017SOL HW1 7623 5.279 3.142 0.457 1.9818 -0.1539 0.2512 + 2017SOL HW2 7624 5.232 3.150 0.314 0.6938 0.0040 0.6723 + 2018SOL OW 7625 0.060 0.961 2.588 0.3352 0.0457 -0.0422 + 2018SOL HW1 7626 0.152 0.948 2.614 0.5604 -2.1764 -1.6360 + 2018SOL HW2 7627 0.066 1.013 2.507 0.1565 0.1323 0.0008 + 2019SOL OW 7628 3.705 0.111 2.697 -0.4263 0.0999 0.2275 + 2019SOL HW1 7629 3.672 0.053 2.628 -1.8742 -2.2197 2.6500 + 2019SOL HW2 7630 3.789 0.073 2.722 -0.6585 -0.0502 0.7969 + 2020SOL OW 7631 5.433 5.110 1.597 0.1831 0.6445 -0.1815 + 2020SOL HW1 7632 5.446 5.182 1.535 -0.6472 1.2041 0.2665 + 2020SOL HW2 7633 5.341 5.086 1.587 0.2741 0.1207 0.1776 + 2021SOL OW 7634 5.247 0.724 1.497 0.1017 0.1104 -0.1728 + 2021SOL HW1 7635 5.159 0.760 1.490 -1.0184 -2.6086 -1.8848 + 2021SOL HW2 7636 5.304 0.791 1.458 -1.4411 1.1708 -0.6962 + 2022SOL OW 7637 0.228 2.306 1.135 -0.0346 -1.0905 0.5040 + 2022SOL HW1 7638 0.176 2.378 1.099 0.9610 -0.5451 0.1174 + 2022SOL HW2 7639 0.309 2.347 1.165 -0.0131 -1.8515 1.5298 + 2023SOL OW 7640 4.024 3.349 5.154 -0.3147 0.4892 -0.6419 + 2023SOL HW1 7641 3.992 3.425 5.105 -2.1355 0.8381 0.9295 + 2023SOL HW2 7642 3.973 3.276 5.120 0.8990 0.0639 -1.6227 + 2024SOL OW 7643 4.325 1.310 1.293 -0.7264 0.4088 0.3343 + 2024SOL HW1 7644 4.331 1.404 1.309 0.8148 0.6655 -1.4557 + 2024SOL HW2 7645 4.256 1.301 1.227 -0.1245 0.4044 -0.2989 + 2025SOL OW 7646 3.219 1.774 1.814 -1.0560 0.0511 0.2921 + 2025SOL HW1 7647 3.257 1.848 1.861 -0.2872 0.6101 -1.1422 + 2025SOL HW2 7648 3.124 1.790 1.816 -1.0146 0.1787 1.4177 + 2026SOL OW 7649 1.112 6.189 0.546 -0.3142 0.2215 -0.0641 + 2026SOL HW1 7650 1.120 6.100 0.511 0.2952 0.6868 -1.1587 + 2026SOL HW2 7651 1.173 6.191 0.620 -1.1502 -0.5870 0.6720 + 2027SOL OW 7652 1.168 5.723 1.586 -0.3462 0.0177 -0.1793 + 2027SOL HW1 7653 1.093 5.778 1.563 0.4159 0.0537 -2.8825 + 2027SOL HW2 7654 1.157 5.643 1.535 2.1798 0.6673 -1.9204 + 2028SOL OW 7655 4.973 3.268 0.131 0.9264 -0.1204 0.3759 + 2028SOL HW1 7656 4.939 3.329 0.065 1.6742 -0.6408 -0.5097 + 2028SOL HW2 7657 5.056 3.238 0.096 -0.4327 -3.4419 -0.3678 + 2029SOL OW 7658 4.065 3.551 4.295 -0.1222 0.2419 -0.1968 + 2029SOL HW1 7659 4.091 3.490 4.227 -0.2639 -0.4297 0.3387 + 2029SOL HW2 7660 4.135 3.616 4.298 0.4860 -0.3995 -0.1649 + 2030SOL OW 7661 2.741 4.536 0.270 -0.1196 0.2229 0.3690 + 2030SOL HW1 7662 2.654 4.523 0.309 -1.3964 3.7090 -0.9002 + 2030SOL HW2 7663 2.802 4.515 0.340 -2.0576 -0.1296 2.0531 + 2031SOL OW 7664 0.157 2.535 2.649 -0.3219 0.0529 -0.9911 + 2031SOL HW1 7665 0.245 2.497 2.646 -0.6899 -0.8711 -0.5037 + 2031SOL HW2 7666 0.141 2.552 2.742 -1.2207 -1.2030 -0.8831 + 2032SOL OW 7667 4.386 0.225 2.197 -0.3903 -0.2954 0.0106 + 2032SOL HW1 7668 4.451 0.294 2.212 -1.7758 1.3484 -1.0526 + 2032SOL HW2 7669 4.320 0.240 2.265 -1.3913 0.3868 -1.0615 + 2033SOL OW 7670 5.914 0.299 2.821 -0.2449 -0.0775 -0.1892 + 2033SOL HW1 7671 5.951 0.268 2.738 -0.4028 -0.8679 0.0190 + 2033SOL HW2 7672 5.822 0.317 2.800 -0.6081 -1.4893 0.0805 + 2034SOL OW 7673 1.632 2.153 1.141 0.6295 -0.5024 0.0584 + 2034SOL HW1 7674 1.721 2.189 1.139 0.2478 0.4894 -1.4665 + 2034SOL HW2 7675 1.634 2.088 1.210 1.9340 1.0874 1.6209 + 2035SOL OW 7676 6.501 5.894 3.159 -0.2060 0.2320 0.4783 + 2035SOL HW1 7677 6.456 5.927 3.237 1.1904 -1.3386 2.0777 + 2035SOL HW2 7678 6.586 5.937 3.161 -0.1761 0.2046 -0.1965 + 2036SOL OW 7679 0.296 4.940 1.009 -0.0267 -0.0873 -0.2302 + 2036SOL HW1 7680 0.219 4.985 0.972 1.3941 1.1235 -1.9070 + 2036SOL HW2 7681 0.343 4.907 0.933 0.6371 -1.6887 0.8283 + 2037SOL OW 7682 2.999 0.745 4.317 -0.1017 -0.3529 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0.7094 0.6830 0.5727 + 2043SOL OW 7700 4.882 0.520 2.251 0.0497 0.1471 -0.2620 + 2043SOL HW1 7701 4.947 0.507 2.182 -0.2694 0.6514 -0.6692 + 2043SOL HW2 7702 4.825 0.590 2.217 0.0363 0.5756 0.6179 + 2044SOL OW 7703 1.050 5.110 3.257 0.2349 0.3513 -0.2559 + 2044SOL HW1 7704 1.059 5.020 3.226 0.9922 0.8479 -1.5245 + 2044SOL HW2 7705 0.960 5.134 3.234 -0.0705 -0.1516 0.3516 + 2045SOL OW 7706 4.163 2.866 3.845 -0.4916 -0.6570 0.3013 + 2045SOL HW1 7707 4.209 2.810 3.782 0.5729 -0.1194 0.5833 + 2045SOL HW2 7708 4.109 2.805 3.896 0.6658 -1.4384 0.6206 + 2046SOL OW 7709 1.359 5.992 2.085 0.3528 0.3137 0.0060 + 2046SOL HW1 7710 1.362 6.067 2.026 -0.7431 0.0105 -0.4441 + 2046SOL HW2 7711 1.291 5.935 2.049 0.9068 -0.7249 0.5521 + 2047SOL OW 7712 3.039 3.838 3.925 0.2548 -0.9893 -0.0585 + 2047SOL HW1 7713 3.081 3.806 4.005 1.0135 -0.4166 -0.2145 + 2047SOL HW2 7714 3.020 3.930 3.943 -1.2772 -1.3152 0.1345 + 2048SOL OW 7715 4.467 2.299 5.217 0.2244 0.0785 -0.0620 + 2048SOL HW1 7716 4.440 2.375 5.270 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0.487 3.110 -0.1012 -1.7747 0.4730 + 2060SOL OW 7751 1.870 4.148 0.622 0.1333 -0.4465 -0.0123 + 2060SOL HW1 7752 1.834 4.110 0.702 0.7182 -0.6116 0.1798 + 2060SOL HW2 7753 1.893 4.072 0.568 2.2651 -0.4392 0.7944 + 2061SOL OW 7754 4.514 1.887 3.802 0.2032 0.2649 -0.2958 + 2061SOL HW1 7755 4.567 1.953 3.758 0.6404 0.1144 0.0071 + 2061SOL HW2 7756 4.565 1.806 3.797 0.3579 0.2924 0.6677 + 2062SOL OW 7757 3.537 2.825 5.346 -0.2919 0.3076 -0.0732 + 2062SOL HW1 7758 3.468 2.763 5.368 1.3028 -1.5152 0.1121 + 2062SOL HW2 7759 3.542 2.824 5.251 -0.1008 -0.0645 -0.0602 + 2063SOL OW 7760 4.368 3.357 4.923 0.5723 0.4991 -0.4405 + 2063SOL HW1 7761 4.408 3.437 4.958 0.9976 0.2749 -0.4079 + 2063SOL HW2 7762 4.442 3.300 4.902 0.2705 0.0786 -0.3847 + 2064SOL OW 7763 4.621 2.629 2.504 -0.2861 -0.5024 0.1410 + 2064SOL HW1 7764 4.582 2.622 2.417 -0.6903 -0.1085 0.2842 + 2064SOL HW2 7765 4.694 2.568 2.503 -1.2364 -1.6816 0.0315 + 2065SOL OW 7766 2.752 0.989 3.924 0.4073 -0.4799 -0.2736 + 2065SOL HW1 7767 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9843 6.026 5.166 5.108 -1.0329 -0.2876 0.6748 + 2757SOL HW2 9844 5.967 5.252 4.998 -0.0990 0.3788 0.6808 + 2758SOL OW 9845 1.552 4.788 0.743 -0.4750 -0.1066 0.5815 + 2758SOL HW1 9846 1.511 4.781 0.657 0.3387 0.7319 0.1012 + 2758SOL HW2 9847 1.553 4.699 0.777 2.0215 -1.0503 -1.6398 + 2759SOL OW 9848 1.858 4.094 2.056 -0.3482 0.3881 0.1526 + 2759SOL HW1 9849 1.884 4.014 2.009 -1.1647 1.1404 -1.6601 + 2759SOL HW2 9850 1.897 4.165 2.006 1.0818 1.1643 2.2108 + 2760SOL OW 9851 6.331 5.232 2.225 0.5855 -0.0969 -0.0583 + 2760SOL HW1 9852 6.368 5.320 2.216 0.1833 0.2586 1.4262 + 2760SOL HW2 9853 6.252 5.234 2.171 0.7993 0.3096 -0.3685 + 2761SOL OW 9854 5.582 2.772 2.745 0.3044 -0.0829 -0.2986 + 2761SOL HW1 9855 5.642 2.706 2.779 0.2925 -0.3319 -0.7449 + 2761SOL HW2 9856 5.625 2.806 2.667 0.3370 0.4825 -0.0390 + 2762SOL OW 9857 5.496 3.979 1.127 -0.3954 0.3357 -0.1084 + 2762SOL HW1 9858 5.548 3.901 1.147 1.1783 1.0133 -1.4068 + 2762SOL HW2 9859 5.474 4.016 1.213 0.6366 -0.3674 0.4729 + 2763SOL 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a/biobb_wf_md_setup/tests/python/reference/step14_mdrun_npt/npt.log b/biobb_wf_md_setup/tests/python/reference/step14_mdrun_npt/npt.log new file mode 100644 index 0000000..f8010a0 --- /dev/null +++ b/biobb_wf_md_setup/tests/python/reference/step14_mdrun_npt/npt.log @@ -0,0 +1,1852 @@ + :-) GROMACS - gmx mdrun, 2022.2-conda_forge (-: + +Copyright 1991-2022 The GROMACS Authors. +GROMACS is free software; you can redistribute it and/or modify it +under the terms of the GNU Lesser General Public License +as published by the Free Software Foundation; either version 2.1 +of the License, or (at your option) any later version. + + Current GROMACS contributors: + Mark Abraham Andrey Alekseenko Cathrine Bergh + Christian Blau Eliane Briand Kevin Boyd + Oliver Fleetwood Stefan Fleischmann Vytas Gapsys + Gaurav Garg Gilles Gouaillardet Alan Gray + Victor Holanda M. Eric Irrgang Joe Jordan + Christoph Junghans Prashanth Kanduri Sebastian Kehl + Sebastian Keller Carsten Kutzner Magnus Lundborg + Pascal Merz Dmitry Morozov Szilard Pall + Roland Schulz Michael Shirts David van der Spoel + Alessandra Villa Sebastian Wingbermuehle Artem Zhmurov + + Previous GROMACS contributors: + Emile Apol Rossen Apostolov James Barnett + Herman J.C. Berendsen Par Bjelkmar Viacheslav Bolnykh + Aldert van Buuren Carlo Camilloni Rudi van Drunen + Anton Feenstra Gerrit Groenhof Bert de Groot + Anca Hamuraru Vincent Hindriksen Aleksei Iupinov + Dimitrios Karkoulis Peter Kasson Jiri Kraus + Per Larsson Justin A. Lemkul Viveca Lindahl + Erik Marklund Pieter Meulenhoff Vedran Miletic + Teemu Murtola Sander Pronk Alexey Shvetsov + Alfons Sijbers Peter Tieleman Jon Vincent + Teemu Virolainen Christian Wennberg Maarten Wolf + + Coordinated by the GROMACS project leaders: + Paul Bauer, Berk Hess, and Erik Lindahl + +GROMACS: gmx mdrun, version 2022.2-conda_forge +Executable: /home/gbayarri/anaconda3/envs/biobb_wf_md_setup/bin.AVX2_256/gmx +Data prefix: /home/gbayarri/anaconda3/envs/biobb_wf_md_setup +Working dir: /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python +Process ID: 16314 +Command line: + gmx -nobackup -nocopyright mdrun -o /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_9be1162f-9df0-4a8c-88d1-7e5577f059cf/npt.trr -s /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_9be1162f-9df0-4a8c-88d1-7e5577f059cf/gppnpt.tpr -c /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_9be1162f-9df0-4a8c-88d1-7e5577f059cf/npt.gro -e /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_9be1162f-9df0-4a8c-88d1-7e5577f059cf/npt.edr -g /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_9be1162f-9df0-4a8c-88d1-7e5577f059cf/npt.log -cpo /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_9be1162f-9df0-4a8c-88d1-7e5577f059cf/npt.cpt + +GROMACS version: 2022.2-conda_forge +Precision: mixed +Memory model: 64 bit +MPI library: thread_mpi +OpenMP support: enabled (GMX_OPENMP_MAX_THREADS = 128) +GPU support: OpenCL +SIMD instructions: AVX2_256 +CPU FFT library: fftw-3.3.10-sse2-avx +GPU FFT library: clFFT +RDTSCP usage: enabled +TNG support: enabled +Hwloc support: disabled +Tracing support: disabled +C compiler: /home/conda/feedstock_root/build_artifacts/gromacs_1657275263449/_build_env/bin/x86_64-conda-linux-gnu-cc GNU 10.3.0 +C compiler flags: -mavx2 -mfma -Wno-missing-field-initializers -fexcess-precision=fast -funroll-all-loops -O3 -DNDEBUG +C++ compiler: /home/conda/feedstock_root/build_artifacts/gromacs_1657275263449/_build_env/bin/x86_64-conda-linux-gnu-c++ GNU 10.3.0 +C++ compiler flags: -mavx2 -mfma -Wno-missing-field-initializers -fexcess-precision=fast -funroll-all-loops -fopenmp -O3 -DNDEBUG +OpenCL include dir: /home/gbayarri/anaconda3/envs/biobb_wf_md_setup/include +OpenCL library: /home/gbayarri/anaconda3/envs/biobb_wf_md_setup/lib/libOpenCL.so +OpenCL version: 2.2 + + +Running on 1 node with total 4 cores, 4 processing units (GPU detection failed) +Hardware detected: + CPU info: + Vendor: Intel + Brand: Intel(R) Core(TM) i5-6600 CPU @ 3.30GHz + Family: 6 Model: 94 Stepping: 3 + Features: aes apic avx avx2 clfsh cmov cx8 cx16 f16c fma htt intel lahf mmx msr nonstop_tsc pcid pclmuldq pdcm pdpe1gb popcnt pse rdrnd rdtscp sse2 sse3 sse4.1 sse4.2 ssse3 tdt x2apic + Hardware topology: Basic + Packages, cores, and logical processors: + [indices refer to OS logical processors] + Package 0: [ 0] [ 1] [ 2] [ 3] + CPU limit set by OS: -1 Recommended max number of threads: 4 + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +M. J. Abraham, T. Murtola, R. Schulz, S. Páll, J. C. Smith, B. Hess, E. +Lindahl +GROMACS: High performance molecular simulations through multi-level +parallelism from laptops to supercomputers +SoftwareX 1 (2015) pp. 19-25 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +S. Páll, M. J. Abraham, C. Kutzner, B. Hess, E. Lindahl +Tackling Exascale Software Challenges in Molecular Dynamics Simulations with +GROMACS +In S. Markidis & E. Laure (Eds.), Solving Software Challenges for Exascale 8759 (2015) pp. 3-27 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +S. Pronk, S. Páll, R. Schulz, P. Larsson, P. Bjelkmar, R. Apostolov, M. R. +Shirts, J. C. Smith, P. M. Kasson, D. van der Spoel, B. Hess, and E. Lindahl +GROMACS 4.5: a high-throughput and highly parallel open source molecular +simulation toolkit +Bioinformatics 29 (2013) pp. 845-54 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +B. Hess and C. Kutzner and D. van der Spoel and E. Lindahl +GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable +molecular simulation +J. Chem. Theory Comput. 4 (2008) pp. 435-447 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +D. van der Spoel, E. Lindahl, B. Hess, G. Groenhof, A. E. Mark and H. J. C. +Berendsen +GROMACS: Fast, Flexible and Free +J. Comp. Chem. 26 (2005) pp. 1701-1719 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +E. Lindahl and B. Hess and D. van der Spoel +GROMACS 3.0: A package for molecular simulation and trajectory analysis +J. Mol. Mod. 7 (2001) pp. 306-317 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +H. J. C. Berendsen, D. van der Spoel and R. van Drunen +GROMACS: A message-passing parallel molecular dynamics implementation +Comp. Phys. Comm. 91 (1995) pp. 43-56 +-------- -------- --- Thank You --- -------- -------- + +Input Parameters: + integrator = md + tinit = 0 + dt = 0.002 + nsteps = 50000 + init-step = 0 + simulation-part = 1 + mts = false + comm-mode = Linear + nstcomm = 100 + bd-fric = 0 + ld-seed = 1073733474 + emtol = 10 + emstep = 0.01 + niter = 20 + fcstep = 0 + nstcgsteep = 1000 + nbfgscorr = 10 + rtpi = 0.05 + nstxout = 500 + nstvout = 500 + nstfout = 0 + nstlog = 500 + nstcalcenergy = 100 + nstenergy = 500 + nstxout-compressed = 1000 + compressed-x-precision = 1000 + cutoff-scheme = Verlet + nstlist = 10 + pbc = xyz + periodic-molecules = false + verlet-buffer-tolerance = 0.005 + rlist = 1 + coulombtype = PME + coulomb-modifier = Potential-shift + rcoulomb-switch = 0 + rcoulomb = 1 + epsilon-r = 1 + epsilon-rf = inf + vdw-type = Cut-off + vdw-modifier = Potential-shift + rvdw-switch = 0 + rvdw = 1 + DispCorr = EnerPres + table-extension = 1 + fourierspacing = 0.12 + fourier-nx = 56 + fourier-ny = 56 + fourier-nz = 56 + pme-order = 4 + ewald-rtol = 1e-05 + ewald-rtol-lj = 0.001 + lj-pme-comb-rule = Geometric + ewald-geometry = 3d + epsilon-surface = 0 + tcoupl = V-rescale + nsttcouple = 10 + nh-chain-length = 0 + print-nose-hoover-chain-variables = false + pcoupl = Parrinello-Rahman + pcoupltype = Isotropic + nstpcouple = 10 + tau-p = 1 + compressibility (3x3): + compressibility[ 0]={ 4.50000e-05, 0.00000e+00, 0.00000e+00} + compressibility[ 1]={ 0.00000e+00, 4.50000e-05, 0.00000e+00} + compressibility[ 2]={ 0.00000e+00, 0.00000e+00, 4.50000e-05} + ref-p (3x3): + ref-p[ 0]={ 1.00000e+00, 0.00000e+00, 0.00000e+00} + ref-p[ 1]={ 0.00000e+00, 1.00000e+00, 0.00000e+00} + ref-p[ 2]={ 0.00000e+00, 0.00000e+00, 1.00000e+00} + refcoord-scaling = COM + posres-com (3): + posres-com[0]= 4.95965e-01 + posres-com[1]= 5.02841e-01 + posres-com[2]= 4.99659e-01 + posres-comB (3): + posres-comB[0]= 4.95965e-01 + posres-comB[1]= 5.02841e-01 + posres-comB[2]= 4.99659e-01 + QMMM = false +qm-opts: + ngQM = 0 + constraint-algorithm = Lincs + continuation = true + Shake-SOR = false + shake-tol = 0.0001 + lincs-order = 4 + lincs-iter = 1 + lincs-warnangle = 30 + nwall = 0 + wall-type = 9-3 + wall-r-linpot = -1 + wall-atomtype[0] = -1 + wall-atomtype[1] = -1 + wall-density[0] = 0 + wall-density[1] = 0 + wall-ewald-zfac = 3 + pull = false + awh = false + rotation = false + interactiveMD = false + disre = No + disre-weighting = Conservative + disre-mixed = false + dr-fc = 1000 + dr-tau = 0 + nstdisreout = 100 + orire-fc = 0 + orire-tau = 0 + nstorireout = 100 + free-energy = no + cos-acceleration = 0 + deform (3x3): + deform[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} + deform[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} + deform[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} + simulated-tempering = false + swapcoords = no + userint1 = 0 + userint2 = 0 + userint3 = 0 + userint4 = 0 + userreal1 = 0 + userreal2 = 0 + userreal3 = 0 + userreal4 = 0 + applied-forces: + electric-field: + x: + E0 = 0 + omega = 0 + t0 = 0 + sigma = 0 + y: + E0 = 0 + omega = 0 + t0 = 0 + sigma = 0 + z: + E0 = 0 + omega = 0 + t0 = 0 + sigma = 0 + density-guided-simulation: + active = false + group = protein + similarity-measure = inner-product + atom-spreading-weight = unity + force-constant = 1e+09 + gaussian-transform-spreading-width = 0.2 + gaussian-transform-spreading-range-in-multiples-of-width = 4 + reference-density-filename = reference.mrc + nst = 1 + normalize-densities = true + adaptive-force-scaling = false + adaptive-force-scaling-time-constant = 4 + shift-vector = + transformation-matrix = + qmmm-cp2k: + active = false + qmgroup = System + qmmethod = PBE + qmfilenames = + qmcharge = 0 + qmmultiplicity = 1 +grpopts: + nrdf: 4920.67 39561.3 + ref-t: 300 300 + tau-t: 0.1 0.1 +annealing: No No +annealing-npoints: 0 0 + acc: 0 0 0 + nfreeze: N N N + energygrp-flags[ 0]: 0 + +Changing nstlist from 10 to 50, rlist from 1 to 1.104 + + +Initializing Domain Decomposition on 1 ranks +Dynamic load balancing: auto +Using update groups, nr 7606, average size 2.9 atoms, max. radius 0.104 nm +Minimum cell size due to atom displacement: 0.398 nm +Initial maximum distances in bonded interactions: + two-body bonded interactions: 0.452 nm, LJ-14, atoms 1156 1405 + multi-body bonded interactions: 0.452 nm, Proper Dih., atoms 1156 1405 +Minimum cell size due to bonded interactions: 0.497 nm +Using 0 separate PME ranks because: there are too few total ranks for efficient splitting +Optimizing the DD grid for 1 cells with a minimum initial size of 0.497 nm +The maximum allowed number of cells is: X 10 Y 10 Z 10 +Domain decomposition grid 1 x 1 x 1, separate PME ranks 0 +PME domain decomposition: 1 x 1 x 1 + +The initial number of communication pulses is: +The initial domain decomposition cell size is: + +The maximum allowed distance for atom groups involved in interactions is: + non-bonded interactions 1.312 nm +(the following are initial values, they could change due to box deformation) + two-body bonded interactions (-rdd) 1.312 nm + multi-body bonded interactions (-rdd) 1.312 nm + +When dynamic load balancing gets turned on, these settings will change to: +The maximum number of communication pulses is: +The minimum size for domain decomposition cells is 1.312 nm +The requested allowed shrink of DD cells (option -dds) is: 0.80 +The allowed shrink of domain decomposition cells is: +The maximum allowed distance for atom groups involved in interactions is: + non-bonded interactions 1.312 nm + two-body bonded interactions (-rdd) 1.312 nm + multi-body bonded interactions (-rdd) 1.312 nm + +Using 1 MPI thread +Using 4 OpenMP threads + +Pinning threads with an auto-selected logical cpu stride of 1 +System total charge: 0.000 +Will do PME sum in reciprocal space for electrostatic interactions. + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +U. Essmann, L. Perera, M. L. Berkowitz, T. Darden, H. Lee and L. G. Pedersen +A smooth particle mesh Ewald method +J. Chem. Phys. 103 (1995) pp. 8577-8592 +-------- -------- --- Thank You --- -------- -------- + +Using a Gaussian width (1/beta) of 0.320163 nm for Ewald +Potential shift: LJ r^-12: -1.000e+00 r^-6: -1.000e+00, Ewald -1.000e-05 +Initialized non-bonded Coulomb Ewald tables, spacing: 9.33e-04 size: 1073 + +Generated table with 1052 data points for 1-4 COUL. +Tabscale = 500 points/nm +Generated table with 1052 data points for 1-4 LJ6. +Tabscale = 500 points/nm +Generated table with 1052 data points for 1-4 LJ12. +Tabscale = 500 points/nm +Long Range LJ corr.: 3.2110e-04 + + +Using SIMD 4x8 nonbonded short-range kernels + +Using a dual 4x8 pair-list setup updated with dynamic pruning: + outer list: updated every 50 steps, buffer 0.104 nm, rlist 1.104 nm + inner list: updated every 13 steps, buffer 0.003 nm, rlist 1.003 nm +At tolerance 0.005 kJ/mol/ps per atom, equivalent classical 1x1 list would be: + outer list: updated every 50 steps, buffer 0.230 nm, rlist 1.230 nm + inner list: updated every 13 steps, buffer 0.052 nm, rlist 1.052 nm + +Using Lorentz-Berthelot Lennard-Jones combination rule + +Linking all bonded interactions to atoms + + +Initializing LINear Constraint Solver + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +B. Hess and H. Bekker and H. J. C. Berendsen and J. G. E. M. Fraaije +LINCS: A Linear Constraint Solver for molecular simulations +J. Comp. Chem. 18 (1997) pp. 1463-1472 +-------- -------- --- Thank You --- -------- -------- + +The number of constraints is 959 + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +S. Miyamoto and P. A. Kollman +SETTLE: An Analytical Version of the SHAKE and RATTLE Algorithms for Rigid +Water Models +J. Comp. Chem. 13 (1992) pp. 952-962 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +G. Bussi, D. Donadio and M. Parrinello +Canonical sampling through velocity rescaling +J. Chem. Phys. 126 (2007) pp. 014101 +-------- -------- --- Thank You --- -------- -------- + +There are: 21731 Atoms + +Atom distribution over 1 domains: av 21731 stddev 0 min 21731 max 21731 +Center of mass motion removal mode is Linear +We have the following groups for center of mass motion removal: + 0: rest + +Started mdrun on rank 0 Tue Jan 14 16:20:08 2025 + + Step Time + 0 0.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.44808e+03 3.90406e+03 5.48656e+03 2.83860e+02 1.85048e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61520e+04 3.64604e+04 -2.85325e+03 -3.55518e+05 2.12623e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 1.23915e-01 -2.90659e+05 5.60626e+04 -2.34596e+05 -2.34583e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.03169e+02 -2.13353e+02 -4.26797e+02 2.83206e-06 + + Step Time + 500 1.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.55696e+03 3.81748e+03 5.35905e+03 2.59696e+02 1.95856e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62594e+04 3.56593e+04 -2.90372e+03 -3.55023e+05 2.11964e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.07265e+02 -2.90529e+05 5.59113e+04 -2.34618e+05 -2.34587e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.02351e+02 -2.20957e+02 -4.59348e+02 2.83201e-06 + + Step Time + 1000 2.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.51183e+03 3.84027e+03 5.39325e+03 2.84851e+02 1.90549e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61705e+04 3.70752e+04 -2.91214e+03 -3.57158e+05 2.09409e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.44887e+02 -2.91350e+05 5.56488e+04 -2.35701e+05 -2.34572e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00931e+02 -2.22239e+02 -1.41056e+02 2.88606e-06 + + Step Time + 1500 3.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.55133e+03 3.79299e+03 5.45547e+03 2.58837e+02 1.92907e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.63048e+04 3.70302e+04 -2.91935e+03 -3.56732e+05 2.11333e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.71019e+02 -2.90744e+05 5.50018e+04 -2.35742e+05 -2.34556e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.97432e+02 -2.23340e+02 -4.30799e+01 3.48499e-06 + + Step Time + 2000 4.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.51808e+03 3.82981e+03 5.41839e+03 2.62820e+02 1.88901e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61707e+04 3.80996e+04 -2.92929e+03 -3.57577e+05 2.11334e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.45726e+02 -2.90759e+05 5.62460e+04 -2.34513e+05 -2.34548e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.04161e+02 -2.24861e+02 3.62651e+02 3.40783e-06 + + Step Time + 2500 5.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.59126e+03 3.96358e+03 5.42354e+03 2.37667e+02 1.91003e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61114e+04 3.71285e+04 -2.92011e+03 -3.56327e+05 2.12454e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.17390e+02 -2.90339e+05 5.54090e+04 -2.34930e+05 -2.34528e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99634e+02 -2.23455e+02 2.56797e+02 2.91288e-06 + + Step Time + 3000 6.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.47217e+03 3.85065e+03 5.43381e+03 2.80361e+02 1.91340e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60823e+04 3.79679e+04 -2.93831e+03 -3.58031e+05 2.08790e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.13742e+02 -2.91468e+05 5.42446e+04 -2.37223e+05 -2.34520e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.93338e+02 -2.26247e+02 4.04004e+02 2.67252e-06 + + Step Time + 3500 7.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.55230e+03 3.92722e+03 5.44799e+03 2.49300e+02 1.91709e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61824e+04 3.69242e+04 -2.92385e+03 -3.56316e+05 2.09211e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.38525e+02 -2.90508e+05 5.51001e+04 -2.35408e+05 -2.34527e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.97964e+02 -2.24028e+02 5.73782e+01 3.04046e-06 + + Step Time + 4000 8.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.57435e+03 4.01386e+03 5.35074e+03 2.92968e+02 1.87831e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61356e+04 3.73999e+04 -2.92861e+03 -3.56527e+05 2.17787e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.60364e+02 -2.90172e+05 5.56071e+04 -2.34565e+05 -2.34491e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00706e+02 -2.24758e+02 9.15781e+01 2.95256e-06 + + Step Time + 4500 9.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.50088e+03 3.91621e+03 5.44792e+03 2.57108e+02 1.87060e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61187e+04 3.72968e+04 -2.91853e+03 -3.57621e+05 2.15926e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.56765e+02 -2.91515e+05 5.44731e+04 -2.37042e+05 -2.34519e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.94573e+02 -2.23214e+02 -2.50416e+02 2.68502e-06 + + Step Time + 5000 10.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.66176e+03 4.00055e+03 5.42960e+03 2.59715e+02 1.90012e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60444e+04 3.65308e+04 -2.92107e+03 -3.55518e+05 2.11789e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.81582e+02 -2.90012e+05 5.55400e+04 -2.34472e+05 -2.34515e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00343e+02 -2.23603e+02 -1.70126e+02 2.94696e-06 + + Step Time + 5500 11.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.47830e+03 3.85041e+03 5.46296e+03 2.73139e+02 1.85316e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61368e+04 3.64978e+04 -2.89993e+03 -3.56825e+05 2.17145e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.54084e+02 -2.91547e+05 5.55525e+04 -2.35995e+05 -2.34529e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00411e+02 -2.20382e+02 -4.34295e+02 2.78843e-06 + + Step Time + 6000 12.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.63337e+03 3.93185e+03 5.47967e+03 2.81417e+02 1.85483e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60429e+04 3.72518e+04 -2.91906e+03 -3.56936e+05 2.08857e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.41602e+02 -2.90849e+05 5.54213e+04 -2.35427e+05 -2.34508e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99701e+02 -2.23295e+02 -6.88738e+01 2.70400e-06 + + Step Time + 6500 13.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.54375e+03 3.90040e+03 5.42949e+03 2.74636e+02 1.92839e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61270e+04 3.81610e+04 -2.92333e+03 -3.57941e+05 2.09083e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.60897e+02 -2.90948e+05 5.61593e+04 -2.34789e+05 -2.34506e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.03692e+02 -2.23948e+02 3.38528e+02 2.87006e-06 + + Step Time + 7000 14.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.58247e+03 3.91195e+03 5.40939e+03 2.38451e+02 1.89361e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61241e+04 3.73331e+04 -2.92433e+03 -3.57040e+05 2.12241e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.75421e+02 -2.90874e+05 5.59486e+04 -2.34925e+05 -2.34516e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.02552e+02 -2.24102e+02 1.19936e+02 2.96251e-06 + + Step Time + 7500 15.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.57135e+03 3.89046e+03 5.40101e+03 2.86140e+02 1.83766e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61543e+04 3.66759e+04 -2.89874e+03 -3.55964e+05 2.08326e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 5.06801e+02 -2.90456e+05 5.49661e+04 -2.35490e+05 -2.34498e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.97239e+02 -2.20201e+02 -4.42344e+02 2.54148e-06 + + Step Time + 8000 16.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.45059e+03 3.95977e+03 5.38433e+03 2.39612e+02 1.87288e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61043e+04 3.80039e+04 -2.92955e+03 -3.58181e+05 2.22280e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 5.04480e+02 -2.91368e+05 5.60775e+04 -2.35291e+05 -2.34503e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.03250e+02 -2.24901e+02 1.52257e+02 2.86836e-06 + + Step Time + 8500 17.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.62680e+03 3.99072e+03 5.42802e+03 2.31612e+02 1.89376e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61537e+04 3.71897e+04 -2.90902e+03 -3.56524e+05 2.03679e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.70186e+02 -2.90412e+05 5.55930e+04 -2.34819e+05 -2.34497e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00629e+02 -2.21763e+02 -1.80378e+02 3.07088e-06 + + Step Time + 9000 18.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.52564e+03 3.74987e+03 5.40434e+03 2.53937e+02 1.89625e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61570e+04 3.79035e+04 -2.90519e+03 -3.57745e+05 2.18606e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.33367e+02 -2.91140e+05 5.51791e+04 -2.35961e+05 -2.34501e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.98391e+02 -2.21182e+02 5.71987e+01 2.88608e-06 + + Step Time + 9500 19.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.57433e+03 3.98821e+03 5.45522e+03 2.74576e+02 1.88142e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.59459e+04 3.76048e+04 -2.91667e+03 -3.57003e+05 2.14833e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.94721e+02 -2.90552e+05 5.54460e+04 -2.35106e+05 -2.34515e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99835e+02 -2.22930e+02 1.26794e+02 2.91961e-06 + + Step Time + 10000 20.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.55204e+03 3.93587e+03 5.47875e+03 2.92368e+02 1.98536e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60353e+04 3.73638e+04 -2.90361e+03 -3.56314e+05 2.16422e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.86378e+02 -2.89923e+05 5.60892e+04 -2.33834e+05 -2.34515e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.03313e+02 -2.20941e+02 4.01818e+01 3.12296e-06 + + Step Time + 10500 21.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.59448e+03 3.84708e+03 5.47184e+03 2.51603e+02 1.84284e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61081e+04 3.76800e+04 -2.92137e+03 -3.56610e+05 2.18910e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.46373e+02 -2.90100e+05 5.57242e+04 -2.34375e+05 -2.34499e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.01339e+02 -2.23649e+02 2.35543e+01 2.51641e-06 + + Step Time + 11000 22.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.58434e+03 3.69362e+03 5.43152e+03 2.70954e+02 1.85966e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62870e+04 3.78531e+04 -2.93501e+03 -3.57565e+05 2.10345e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.86150e+02 -2.90930e+05 5.59387e+04 -2.34992e+05 -2.34520e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.02499e+02 -2.25740e+02 6.80290e+01 2.68831e-06 + + Step Time + 11500 23.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.58147e+03 3.92834e+03 5.40497e+03 2.75700e+02 1.93545e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60740e+04 3.80792e+04 -2.93413e+03 -3.57783e+05 2.10656e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.46913e+02 -2.90884e+05 5.57812e+04 -2.35103e+05 -2.34492e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.01648e+02 -2.25604e+02 4.56986e+02 2.68226e-06 + + Step Time + 12000 24.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.60174e+03 3.79756e+03 5.47615e+03 2.63905e+02 1.89482e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62092e+04 3.73336e+04 -2.93262e+03 -3.57385e+05 2.16517e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.62355e+02 -2.91113e+05 5.53334e+04 -2.35780e+05 -2.34500e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99226e+02 -2.25372e+02 -1.40671e+01 2.43597e-06 + + Step Time + 12500 25.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.54479e+03 3.70670e+03 5.42684e+03 3.27453e+02 1.90998e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61669e+04 3.78903e+04 -2.91766e+03 -3.57829e+05 2.20660e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.78509e+02 -2.91089e+05 5.52605e+04 -2.35828e+05 -2.34503e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.98831e+02 -2.23082e+02 7.16145e+01 2.65622e-06 + + Step Time + 13000 26.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.55970e+03 3.85418e+03 5.49249e+03 2.70368e+02 1.88627e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61411e+04 3.80007e+04 -2.92206e+03 -3.58714e+05 2.13534e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.15994e+02 -2.91879e+05 5.54948e+04 -2.36385e+05 -2.34501e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00098e+02 -2.23755e+02 6.21812e+01 2.64998e-06 + + Step Time + 13500 27.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.54983e+03 3.90675e+03 5.44570e+03 2.54579e+02 1.90662e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.59663e+04 3.72730e+04 -2.91630e+03 -3.56938e+05 2.17191e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.61728e+02 -2.90918e+05 5.52959e+04 -2.35622e+05 -2.34502e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99023e+02 -2.22874e+02 -8.35276e+01 3.28663e-06 + + Step Time + 14000 28.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.61273e+03 3.87640e+03 5.42810e+03 2.91302e+02 1.82192e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61313e+04 3.68491e+04 -2.91403e+03 -3.56300e+05 2.06014e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.51199e+02 -2.90692e+05 5.50703e+04 -2.35621e+05 -2.34513e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.97803e+02 -2.22527e+02 -9.56478e+01 2.57778e-06 + + Step Time + 14500 29.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.58898e+03 3.79466e+03 5.44744e+03 2.34423e+02 1.88641e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61399e+04 3.77336e+04 -2.92543e+03 -3.58511e+05 2.09160e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.47600e+02 -2.92072e+05 5.56692e+04 -2.36402e+05 -2.34519e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.01042e+02 -2.24270e+02 -1.04468e+02 2.68639e-06 + + Step Time + 15000 30.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.62149e+03 3.71762e+03 5.44522e+03 2.76144e+02 1.89693e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61611e+04 3.70816e+04 -2.89892e+03 -3.56506e+05 2.14436e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.86952e+02 -2.90574e+05 5.57633e+04 -2.34811e+05 -2.34511e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.01550e+02 -2.20228e+02 -1.44741e+02 2.81237e-06 + + Step Time + 15500 31.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.56332e+03 3.83226e+03 5.51982e+03 2.41385e+02 1.83911e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60937e+04 3.75724e+04 -2.91489e+03 -3.57779e+05 2.10273e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.77693e+02 -2.91452e+05 5.49970e+04 -2.36455e+05 -2.34501e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.97407e+02 -2.22658e+02 -3.15128e+01 2.57686e-06 + + Step Time + 16000 32.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.56542e+03 3.69648e+03 5.53671e+03 2.68948e+02 1.85169e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60116e+04 3.76187e+04 -2.90513e+03 -3.57285e+05 2.12110e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.81011e+02 -2.91039e+05 5.53761e+04 -2.35662e+05 -2.34520e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99457e+02 -2.21172e+02 -1.21230e+02 2.96846e-06 + + Step Time + 16500 33.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.64793e+03 3.88117e+03 5.44040e+03 2.37828e+02 1.90758e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61221e+04 3.71099e+04 -2.91029e+03 -3.56345e+05 2.18754e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 5.07732e+02 -2.90213e+05 5.62175e+04 -2.33995e+05 -2.34508e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.04007e+02 -2.21957e+02 -4.28288e-01 3.02799e-06 + + Step Time + 17000 34.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.59082e+03 4.06859e+03 5.36268e+03 2.50882e+02 1.83131e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.59867e+04 3.73293e+04 -2.91245e+03 -3.56752e+05 2.06506e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.88118e+02 -2.90691e+05 5.55418e+04 -2.35149e+05 -2.34468e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00352e+02 -2.22286e+02 6.19361e+00 3.07171e-06 + + Step Time + 17500 35.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.67185e+03 3.80320e+03 5.44270e+03 2.38444e+02 1.87178e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60817e+04 3.76356e+04 -2.92185e+03 -3.58021e+05 2.10324e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.75738e+02 -2.91618e+05 5.54261e+04 -2.36192e+05 -2.34486e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99727e+02 -2.23722e+02 -1.55492e+02 2.96736e-06 + + Step Time + 18000 36.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.56366e+03 3.81560e+03 5.39805e+03 2.76297e+02 1.90505e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62104e+04 3.70875e+04 -2.94050e+03 -3.56548e+05 2.09538e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.89353e+02 -2.90647e+05 5.52083e+04 -2.35438e+05 -2.34495e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.98549e+02 -2.26584e+02 -1.32912e+02 3.11437e-06 + + Step Time + 18500 37.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.60219e+03 4.04353e+03 5.47077e+03 2.32345e+02 1.88723e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60684e+04 3.75440e+04 -2.92523e+03 -3.56773e+05 2.06761e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.87211e+02 -2.90295e+05 5.49965e+04 -2.35298e+05 -2.34475e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.97404e+02 -2.24239e+02 1.42055e+02 2.65453e-06 + + Step Time + 19000 38.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.53383e+03 3.85895e+03 5.45614e+03 2.75835e+02 1.95125e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62023e+04 3.72673e+04 -2.92274e+03 -3.57163e+05 2.10948e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.69908e+02 -2.90960e+05 5.54964e+04 -2.35464e+05 -2.34478e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00107e+02 -2.23858e+02 -1.24445e+02 2.91953e-06 + + Step Time + 19500 39.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.45749e+03 3.85798e+03 5.44918e+03 2.76347e+02 1.90549e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61340e+04 3.72105e+04 -2.92250e+03 -3.57052e+05 2.10660e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.74870e+02 -2.91102e+05 5.53484e+04 -2.35753e+05 -2.34509e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99307e+02 -2.23822e+02 -4.73207e+01 2.82602e-06 + + Step Time + 20000 40.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.48061e+03 3.84093e+03 5.42898e+03 2.89742e+02 1.89674e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61722e+04 3.71100e+04 -2.91377e+03 -3.56539e+05 2.19026e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 5.26385e+02 -2.90517e+05 5.45557e+04 -2.35961e+05 -2.34487e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.95020e+02 -2.22487e+02 -1.92739e+02 2.60788e-06 + + Step Time + 20500 41.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.53683e+03 3.90801e+03 5.39206e+03 2.58511e+02 1.90355e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61835e+04 3.82241e+04 -2.93252e+03 -3.58199e+05 2.09845e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.75146e+02 -2.91152e+05 5.57678e+04 -2.35384e+05 -2.34463e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.01574e+02 -2.25356e+02 4.01401e+02 2.52746e-06 + + Step Time + 21000 42.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.52003e+03 3.91857e+03 5.44403e+03 2.77162e+02 1.92089e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61718e+04 3.69786e+04 -2.91558e+03 -3.56664e+05 2.18067e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.74082e+02 -2.90694e+05 5.59237e+04 -2.34770e+05 -2.34478e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.02418e+02 -2.22763e+02 6.38603e+01 2.73187e-06 + + Step Time + 21500 43.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.49920e+03 3.69189e+03 5.48324e+03 2.72330e+02 1.86830e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61950e+04 3.76294e+04 -2.92935e+03 -3.57892e+05 2.08718e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.60860e+02 -2.91634e+05 5.56167e+04 -2.36018e+05 -2.34468e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00758e+02 -2.24871e+02 9.08354e+01 2.81325e-06 + + Step Time + 22000 44.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.74812e+03 3.80671e+03 5.38451e+03 2.55991e+02 1.88206e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61064e+04 3.68865e+04 -2.92794e+03 -3.56020e+05 2.13537e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.41387e+02 -2.90300e+05 5.59858e+04 -2.34315e+05 -2.34476e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.02753e+02 -2.24654e+02 6.00959e+01 2.68064e-06 + + Step Time + 22500 45.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.66225e+03 3.86459e+03 5.46967e+03 2.79903e+02 1.85130e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62837e+04 3.74016e+04 -2.91179e+03 -3.56975e+05 2.12580e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 5.20228e+02 -2.90427e+05 5.58293e+04 -2.34598e+05 -2.34470e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.01907e+02 -2.22186e+02 -3.76265e+02 2.70860e-06 + + Step Time + 23000 46.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.55283e+03 3.84288e+03 5.46911e+03 2.89458e+02 1.93480e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60833e+04 3.76335e+04 -2.92882e+03 -3.58183e+05 2.11023e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 5.15884e+02 -2.91680e+05 5.58231e+04 -2.35857e+05 -2.34475e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.01874e+02 -2.24789e+02 9.17408e+00 2.90442e-06 + + Step Time + 23500 47.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.54589e+03 3.87050e+03 5.41604e+03 2.60237e+02 1.89738e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61545e+04 3.71156e+04 -2.92253e+03 -3.57213e+05 2.10279e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.70318e+02 -2.91302e+05 5.51163e+04 -2.36186e+05 -2.34461e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.98051e+02 -2.23826e+02 5.25305e+01 2.70670e-06 + + Step Time + 24000 48.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.55488e+03 3.90000e+03 5.40601e+03 2.19091e+02 1.86926e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62337e+04 3.74897e+04 -2.92087e+03 -3.56949e+05 2.15181e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.88484e+02 -2.90556e+05 5.57679e+04 -2.34789e+05 -2.34487e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.01575e+02 -2.23573e+02 -2.23019e+01 3.25130e-06 + + Step Time + 24500 49.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.54657e+03 3.90334e+03 5.50942e+03 2.62533e+02 1.78797e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60906e+04 3.78016e+04 -2.91987e+03 -3.57952e+05 2.04813e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.56217e+02 -2.91466e+05 5.51547e+04 -2.36311e+05 -2.34475e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.98259e+02 -2.23419e+02 -2.48146e+02 2.97122e-06 + + Step Time + 25000 50.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.60277e+03 3.98029e+03 5.42644e+03 2.39795e+02 1.86557e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60502e+04 3.80232e+04 -2.94083e+03 -3.57836e+05 2.17324e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.65788e+02 -2.90949e+05 5.62301e+04 -2.34719e+05 -2.34453e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.04075e+02 -2.26634e+02 2.07647e+02 3.12337e-06 + + Step Time + 25500 51.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.49837e+03 3.91671e+03 5.41252e+03 2.34204e+02 1.91115e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.63230e+04 3.77875e+04 -2.92798e+03 -3.58672e+05 2.08833e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.69512e+02 -2.91959e+05 5.55959e+04 -2.36363e+05 -2.34466e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00645e+02 -2.24661e+02 1.37097e+02 2.70218e-06 + + Step Time + 26000 52.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.68951e+03 4.06687e+03 5.43103e+03 2.57015e+02 1.85828e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60727e+04 3.72372e+04 -2.93027e+03 -3.56880e+05 2.13104e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.67853e+02 -2.90598e+05 5.53768e+04 -2.35222e+05 -2.34442e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99460e+02 -2.25011e+02 -1.60249e+01 2.63908e-06 + + Step Time + 26500 53.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.61485e+03 3.68407e+03 5.40130e+03 2.67038e+02 1.89863e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60475e+04 3.82237e+04 -2.91359e+03 -3.58037e+05 2.13126e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.19491e+02 -2.91263e+05 5.51426e+04 -2.36120e+05 -2.34471e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.98194e+02 -2.22460e+02 2.21866e+02 3.18480e-06 + + Step Time + 27000 54.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.63793e+03 4.03337e+03 5.41060e+03 2.62690e+02 1.88990e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61502e+04 3.69381e+04 -2.91380e+03 -3.55859e+05 2.14143e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.26990e+02 -2.89881e+05 5.60764e+04 -2.33805e+05 -2.34466e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.03244e+02 -2.22492e+02 -2.33557e+02 3.12259e-06 + + Step Time + 27500 55.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.58563e+03 3.84609e+03 5.40186e+03 2.46107e+02 1.84305e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.59851e+04 3.74102e+04 -2.92100e+03 -3.56958e+05 2.05381e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.39355e+02 -2.91068e+05 5.39156e+04 -2.37153e+05 -2.34472e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.91559e+02 -2.23592e+02 -1.52647e+02 2.79939e-06 + + Step Time + 28000 56.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.56223e+03 3.82894e+03 5.32444e+03 2.47619e+02 1.89065e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60905e+04 3.64421e+04 -2.91960e+03 -3.56807e+05 2.12830e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.89180e+02 -2.91723e+05 5.48341e+04 -2.36889e+05 -2.34462e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.96526e+02 -2.23378e+02 -3.35957e+02 3.04448e-06 + + Step Time + 28500 57.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.62162e+03 3.77450e+03 5.38746e+03 2.67630e+02 1.86871e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61610e+04 3.73162e+04 -2.91813e+03 -3.56889e+05 2.16274e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.61199e+02 -2.90786e+05 5.53563e+04 -2.35429e+05 -2.34465e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99349e+02 -2.23154e+02 -5.34928e+01 2.49949e-06 + + Step Time + 29000 58.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.55990e+03 3.97269e+03 5.37102e+03 2.82428e+02 1.84285e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62062e+04 3.79863e+04 -2.92509e+03 -3.58075e+05 2.14172e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.92281e+02 -2.91144e+05 5.56133e+04 -2.35531e+05 -2.34463e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00739e+02 -2.24217e+02 -4.50134e+01 2.85405e-06 + + Step Time + 29500 59.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.54919e+03 3.87264e+03 5.49438e+03 2.67420e+02 1.81557e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.59561e+04 3.73914e+04 -2.93564e+03 -3.57179e+05 2.08517e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.72532e+02 -2.91210e+05 5.55657e+04 -2.35644e+05 -2.34483e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00482e+02 -2.25836e+02 1.90123e+01 2.92258e-06 + + Step Time + 30000 60.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.58653e+03 3.82760e+03 5.37486e+03 2.22537e+02 1.84974e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62199e+04 3.81099e+04 -2.92751e+03 -3.58241e+05 2.09324e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.29389e+02 -2.91455e+05 5.53632e+04 -2.36092e+05 -2.34464e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99387e+02 -2.24589e+02 1.05530e+02 3.39794e-06 + + Step Time + 30500 61.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.55110e+03 3.92955e+03 5.35382e+03 2.70742e+02 1.91932e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61205e+04 3.83834e+04 -2.91693e+03 -3.58620e+05 2.08055e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.47227e+02 -2.91480e+05 5.58402e+04 -2.35640e+05 -2.34457e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.01966e+02 -2.22970e+02 1.47730e+02 2.75192e-06 + + Step Time + 31000 62.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.51383e+03 4.03723e+03 5.34420e+03 2.48931e+02 1.95763e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62026e+04 3.71287e+04 -2.92671e+03 -3.56965e+05 2.22890e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.25221e+02 -2.90805e+05 5.52560e+04 -2.35549e+05 -2.34438e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.98807e+02 -2.24466e+02 5.24093e+01 2.60101e-06 + + Step Time + 31500 63.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.49770e+03 3.76466e+03 5.40597e+03 2.37389e+02 1.88711e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61281e+04 3.72222e+04 -2.91645e+03 -3.57070e+05 2.08378e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.91399e+02 -2.91268e+05 5.57751e+04 -2.35493e+05 -2.34469e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.01614e+02 -2.22896e+02 5.91995e-01 3.09846e-06 + + Step Time + 32000 64.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.51691e+03 3.92635e+03 5.37969e+03 2.48926e+02 1.90359e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60679e+04 3.74903e+04 -2.91979e+03 -3.56942e+05 2.06415e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.85010e+02 -2.90779e+05 5.59325e+04 -2.34846e+05 -2.34474e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.02465e+02 -2.23407e+02 1.95729e+02 3.52707e-06 + + Step Time + 32500 65.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.55072e+03 3.74947e+03 5.50483e+03 2.66680e+02 1.84144e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60619e+04 3.72499e+04 -2.91183e+03 -3.56568e+05 2.15332e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.98941e+02 -2.90603e+05 5.54404e+04 -2.35162e+05 -2.34479e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99804e+02 -2.22192e+02 -2.14447e+02 2.84356e-06 + + Step Time + 33000 66.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.53135e+03 3.92208e+03 5.41927e+03 2.91299e+02 1.85315e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61829e+04 3.71873e+04 -2.90742e+03 -3.56712e+05 2.16775e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.71329e+02 -2.90593e+05 5.53232e+04 -2.35270e+05 -2.34475e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99171e+02 -2.21521e+02 -8.44543e+01 2.92021e-06 + + Step Time + 33500 67.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.60015e+03 3.78517e+03 5.36090e+03 2.60930e+02 1.93163e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61965e+04 3.75737e+04 -2.93071e+03 -3.56682e+05 2.11568e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.40467e+02 -2.90347e+05 5.53362e+04 -2.35011e+05 -2.34451e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99241e+02 -2.25079e+02 2.86997e+02 2.54732e-06 + + Step Time + 34000 68.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.51722e+03 3.83112e+03 5.44554e+03 2.27532e+02 1.85851e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60312e+04 3.70445e+04 -2.91360e+03 -3.56109e+05 2.10784e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.52100e+02 -2.90507e+05 5.49686e+04 -2.35538e+05 -2.34468e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.97253e+02 -2.22463e+02 -1.89404e+02 2.71533e-06 + + Step Time + 34500 69.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.54216e+03 3.95685e+03 5.46712e+03 2.81502e+02 1.87457e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.59886e+04 3.68611e+04 -2.92148e+03 -3.56416e+05 2.05624e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.79618e+02 -2.90829e+05 5.51946e+04 -2.35635e+05 -2.34446e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.98475e+02 -2.23665e+02 -2.27473e+02 2.70351e-06 + + Step Time + 35000 70.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.47014e+03 3.75257e+03 5.39217e+03 2.55696e+02 1.86925e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61541e+04 3.84024e+04 -2.92049e+03 -3.59125e+05 2.09387e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.16506e+02 -2.92239e+05 5.44023e+04 -2.37837e+05 -2.34439e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.94191e+02 -2.23513e+02 7.49646e+01 2.86724e-06 + + Step Time + 35500 71.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.58488e+03 3.80712e+03 5.44800e+03 2.50209e+02 1.91470e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61164e+04 3.76047e+04 -2.90524e+03 -3.56861e+05 2.09112e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.35552e+02 -2.90514e+05 5.54633e+04 -2.35051e+05 -2.34458e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99928e+02 -2.21189e+02 6.34744e+01 3.37696e-06 + + Step Time + 36000 72.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.59009e+03 4.06157e+03 5.46979e+03 2.53740e+02 1.84609e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61267e+04 3.63664e+04 -2.92516e+03 -3.56375e+05 2.02834e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.98060e+02 -2.91059e+05 5.57228e+04 -2.35336e+05 -2.34440e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.01331e+02 -2.24229e+02 -3.59442e+02 3.02626e-06 + + Step Time + 36500 73.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.52976e+03 3.66796e+03 5.42632e+03 2.75659e+02 1.92833e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62900e+04 3.82488e+04 -2.91876e+03 -3.57387e+05 2.06323e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 5.12767e+02 -2.90363e+05 5.51353e+04 -2.35228e+05 -2.34463e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.98154e+02 -2.23250e+02 1.60664e+02 3.15345e-06 + + Step Time + 37000 74.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.40211e+03 3.80206e+03 5.39092e+03 2.73841e+02 1.90183e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61477e+04 3.74067e+04 -2.91168e+03 -3.57180e+05 2.09439e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.69356e+02 -2.91203e+05 5.42221e+04 -2.36981e+05 -2.34451e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.93216e+02 -2.22170e+02 -1.45664e+02 2.77697e-06 + + Step Time + 37500 75.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.56796e+03 3.72840e+03 5.41771e+03 2.64492e+02 1.92299e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62054e+04 3.80787e+04 -2.92790e+03 -3.58141e+05 2.14434e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.55812e+02 -2.91283e+05 5.46542e+04 -2.36629e+05 -2.34441e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.95553e+02 -2.24649e+02 7.17734e+01 2.85503e-06 + + Step Time + 38000 76.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.60395e+03 3.87283e+03 5.40399e+03 2.61126e+02 1.89256e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60668e+04 3.70012e+04 -2.91311e+03 -3.56893e+05 2.15298e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.73674e+02 -2.91077e+05 5.52871e+04 -2.35790e+05 -2.34439e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.98975e+02 -2.22387e+02 -4.14498e+01 2.93206e-06 + + Step Time + 38500 77.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.62302e+03 3.97136e+03 5.40152e+03 2.84061e+02 1.93181e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61685e+04 3.70546e+04 -2.92906e+03 -3.55966e+05 2.08702e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 5.05330e+02 -2.89868e+05 5.56259e+04 -2.34242e+05 -2.34455e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00807e+02 -2.24826e+02 1.24721e+01 2.91129e-06 + + Step Time + 39000 78.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.64099e+03 3.97455e+03 5.45539e+03 2.64256e+02 1.88357e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60585e+04 3.72593e+04 -2.92429e+03 -3.57139e+05 2.09288e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 5.11895e+02 -2.90922e+05 5.52041e+04 -2.35718e+05 -2.34454e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.98527e+02 -2.24095e+02 -1.20251e+02 2.69988e-06 + + Step Time + 39500 79.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.45944e+03 3.67432e+03 5.43490e+03 2.82078e+02 1.87640e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60360e+04 3.64768e+04 -2.91463e+03 -3.55979e+05 2.09900e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.60292e+02 -2.91094e+05 5.51726e+04 -2.35921e+05 -2.34473e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.98356e+02 -2.22619e+02 -2.75677e+02 2.92555e-06 + + Step Time + 40000 80.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.47487e+03 3.81527e+03 5.49235e+03 2.52884e+02 1.87614e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61916e+04 3.80527e+04 -2.91583e+03 -3.58357e+05 2.12287e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.26522e+02 -2.91567e+05 5.62876e+04 -2.35280e+05 -2.34470e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.04386e+02 -2.22801e+02 1.97501e+02 3.36465e-06 + + Step Time + 40500 81.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.61145e+03 3.86511e+03 5.40239e+03 2.68709e+02 1.95021e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61369e+04 3.75836e+04 -2.91537e+03 -3.56749e+05 2.14650e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.59669e+02 -2.90240e+05 5.60113e+04 -2.34229e+05 -2.34451e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.02892e+02 -2.22731e+02 1.60934e+02 2.78164e-06 + + Step Time + 41000 82.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.53068e+03 4.04797e+03 5.46362e+03 2.85526e+02 1.86606e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60202e+04 3.77828e+04 -2.92366e+03 -3.57185e+05 2.16251e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.33106e+02 -2.90516e+05 5.55038e+04 -2.35012e+05 -2.34440e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00147e+02 -2.23999e+02 1.55550e+02 2.65226e-06 + + Step Time + 41500 83.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.58869e+03 3.93320e+03 5.50717e+03 2.84211e+02 1.87514e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61551e+04 3.69517e+04 -2.90898e+03 -3.56156e+05 2.08248e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.43903e+02 -2.90243e+05 5.57858e+04 -2.34458e+05 -2.34458e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.01672e+02 -2.21758e+02 -7.96489e+01 2.74034e-06 + + Step Time + 42000 84.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.62410e+03 3.77119e+03 5.39982e+03 2.69345e+02 1.91419e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62069e+04 3.82451e+04 -2.93482e+03 -3.57921e+05 1.94840e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.37840e+02 -2.91038e+05 5.58940e+04 -2.35145e+05 -2.34441e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.02257e+02 -2.25710e+02 2.22523e+02 2.87856e-06 + + Step Time + 42500 85.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.69676e+03 3.78566e+03 5.51557e+03 2.25911e+02 1.89900e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60602e+04 3.87323e+04 -2.93542e+03 -3.58599e+05 2.09822e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.19706e+02 -2.91101e+05 5.50961e+04 -2.36005e+05 -2.34426e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.97943e+02 -2.25802e+02 1.69162e+02 2.70834e-06 + + Step Time + 43000 86.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.62467e+03 3.80461e+03 5.43214e+03 2.46449e+02 1.87308e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62639e+04 3.77836e+04 -2.92631e+03 -3.57636e+05 2.04231e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.82011e+02 -2.91010e+05 5.53801e+04 -2.35629e+05 -2.34443e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.99478e+02 -2.24405e+02 2.55956e+02 2.58443e-06 + + Step Time + 43500 87.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.55017e+03 3.99550e+03 5.50065e+03 2.63865e+02 1.86170e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61739e+04 3.75139e+04 -2.90680e+03 -3.56306e+05 2.18710e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.69042e+02 -2.89697e+05 5.51703e+04 -2.34526e+05 -2.34432e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.98343e+02 -2.21426e+02 1.23435e+01 3.13597e-06 + + Step Time + 44000 88.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.57228e+03 3.88114e+03 5.44797e+03 2.88311e+02 1.81052e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.59752e+04 3.71527e+04 -2.92151e+03 -3.55827e+05 2.14109e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.17252e+02 -2.90062e+05 5.50062e+04 -2.35056e+05 -2.34441e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.97456e+02 -2.23670e+02 -5.36999e+01 2.63848e-06 + + Step Time + 44500 89.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.69270e+03 3.78732e+03 5.46920e+03 2.77060e+02 1.83949e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60908e+04 3.80072e+04 -2.89954e+03 -3.56956e+05 2.23483e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.91516e+02 -2.89965e+05 5.64878e+04 -2.33478e+05 -2.34439e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.05469e+02 -2.20323e+02 -1.31912e+02 2.84428e-06 + + Step Time + 45000 90.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.61562e+03 4.02671e+03 5.42187e+03 2.60050e+02 1.93491e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62502e+04 3.71203e+04 -2.92821e+03 -3.56735e+05 2.10002e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.27919e+02 -2.90506e+05 5.59129e+04 -2.34593e+05 -2.34408e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.02359e+02 -2.24696e+02 2.09580e+02 3.04390e-06 + + Step Time + 45500 91.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.58595e+03 3.98258e+03 5.47951e+03 2.76619e+02 1.84531e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61690e+04 3.70940e+04 -2.92613e+03 -3.56203e+05 2.03973e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.58476e+02 -2.90198e+05 5.45911e+04 -2.35607e+05 -2.34422e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.95212e+02 -2.24377e+02 -9.86599e+01 2.82972e-06 + + Step Time + 46000 92.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.65384e+03 3.68126e+03 5.51456e+03 2.70813e+02 1.85399e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62071e+04 3.74137e+04 -2.90893e+03 -3.56756e+05 2.06949e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.19704e+02 -2.90581e+05 5.56358e+04 -2.34945e+05 -2.34456e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00861e+02 -2.21750e+02 -3.35827e+02 2.80046e-06 + + Step Time + 46500 93.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.67478e+03 3.84286e+03 5.42731e+03 3.01885e+02 1.88948e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61544e+04 3.57939e+04 -2.90319e+03 -3.55776e+05 2.13118e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.61107e+02 -2.91002e+05 5.56681e+04 -2.35334e+05 -2.34430e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.01036e+02 -2.20877e+02 -4.97804e+02 3.02500e-06 + + Step Time + 47000 94.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.55183e+03 3.93453e+03 5.43042e+03 2.37542e+02 1.82014e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60667e+04 3.74285e+04 -2.91046e+03 -3.56638e+05 2.08284e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.82982e+02 -2.90513e+05 5.58627e+04 -2.34651e+05 -2.34425e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.02088e+02 -2.21983e+02 -2.92589e+02 2.98619e-06 + + Step Time + 47500 95.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.62921e+03 3.85032e+03 5.39601e+03 2.55778e+02 1.91327e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60719e+04 3.77841e+04 -2.93055e+03 -3.58315e+05 2.09309e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.75538e+02 -2.91776e+05 5.55201e+04 -2.36256e+05 -2.34396e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00235e+02 -2.25054e+02 6.52840e+01 2.84439e-06 + + Step Time + 48000 96.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.62843e+03 3.83049e+03 5.36783e+03 2.27768e+02 1.88551e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62249e+04 3.82124e+04 -2.92352e+03 -3.58390e+05 2.08919e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.59004e+02 -2.91388e+05 5.47286e+04 -2.36660e+05 -2.34399e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 2.95955e+02 -2.23978e+02 2.74897e+02 2.54899e-06 + + Step Time + 48500 97.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.62295e+03 3.80352e+03 5.46793e+03 2.25185e+02 1.94864e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.63166e+04 3.72341e+04 -2.92922e+03 -3.56940e+05 2.19157e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.72810e+02 -2.90586e+05 5.55161e+04 -2.35070e+05 -2.34403e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00214e+02 -2.24851e+02 -2.11388e+01 2.61404e-06 + + Step Time + 49000 98.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.53089e+03 3.65134e+03 5.40744e+03 2.63729e+02 1.91157e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62154e+04 3.76899e+04 -2.92946e+03 -3.57679e+05 2.13005e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.42012e+02 -2.91366e+05 5.54879e+04 -2.35878e+05 -2.34419e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00061e+02 -2.24887e+02 1.88414e+02 2.55384e-06 + + Step Time + 49500 99.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.49666e+03 4.03019e+03 5.39899e+03 2.67355e+02 1.87137e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60729e+04 3.68781e+04 -2.91665e+03 -3.56269e+05 2.08073e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.83329e+02 -2.90606e+05 5.60002e+04 -2.34605e+05 -2.34411e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.02831e+02 -2.22927e+02 -2.41053e+02 3.25571e-06 + + Step Time + 50000 100.00000 + +Writing checkpoint, step 50000 at Tue Jan 14 16:24:10 2025 + + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.58540e+03 3.74243e+03 5.41126e+03 2.50292e+02 1.88823e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62078e+04 3.74948e+04 -2.92286e+03 -3.57974e+05 2.10619e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.38002e+02 -2.91772e+05 5.63652e+04 -2.35407e+05 -2.34414e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.04805e+02 -2.23876e+02 6.24002e+01 2.80110e-06 + + +Energy conservation over simulation part #1 of length 100 ps, time 0 to 100 ps + Conserved energy drift: 7.78e-05 kJ/mol/ps per atom + + + <====== ############### ==> + <==== A V E R A G E S ====> + <== ############### ======> + + Statistics over 50001 steps using 501 frames + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.56322e+03 3.86245e+03 5.43352e+03 2.62267e+02 1.88406e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61431e+04 3.73992e+04 -2.92036e+03 -3.57153e+05 2.11468e+03 + Position Rest. Potential Kinetic En. Total Energy Conserved En. + 4.64132e+02 -2.90946e+05 5.54956e+04 -2.35451e+05 -2.34477e+05 + Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd + 3.00103e+02 -2.23497e+02 -5.75043e+00 0.00000e+00 + + Box-X Box-Y Box-Z + 6.55916e+00 6.18408e+00 5.35573e+00 + + Total Virial (kJ/mol) + 1.85452e+04 -1.33081e+02 2.01333e+02 + -1.32851e+02 1.85451e+04 2.30093e+02 + 2.01571e+02 2.30157e+02 1.85235e+04 + + Pressure (bar) + -3.93466e+00 2.14613e+01 -3.00970e+01 + 2.14261e+01 -5.81248e+00 -3.63140e+01 + -3.01332e+01 -3.63238e+01 -7.50415e+00 + + T-ProteinT-Water_and_ions + 3.00395e+02 3.00066e+02 + + + M E G A - F L O P S A C C O U N T I N G + + NB=Group-cutoff nonbonded kernels NxN=N-by-N cluster Verlet kernels + RF=Reaction-Field VdW=Van der Waals QSTab=quadratic-spline table + W3=SPC/TIP3p W4=TIP4p (single or pairs) + V&F=Potential and force V=Potential only F=Force only + + Computing: M-Number M-Flops % Flops +----------------------------------------------------------------------------- + Pair Search distance check 9093.459476 81841.135 0.2 + NxN Ewald Elec. + LJ [F] 339508.940752 22407590.090 51.7 + NxN Ewald Elec. + LJ [V&F] 3436.214544 367674.956 0.8 + NxN Ewald Elec. [F] 275695.880592 16817448.716 38.8 + NxN Ewald Elec. [V&F] 2790.199984 234376.799 0.5 + 1,4 nonbonded interactions 255.305106 22977.460 0.1 + Calc Weights 3259.715193 117349.747 0.3 + Spread Q Bspline 69540.590784 139081.182 0.3 + Gather F Bspline 69540.590784 417243.545 1.0 + 3D-FFT 305965.419186 2447723.353 5.7 + Solve PME 156.803136 10035.401 0.0 + Reset In Box 21.731000 65.193 0.0 + CG-CoM 21.752731 65.258 0.0 + Bonds 51.251025 3023.810 0.0 + Angles 177.353547 29795.396 0.1 + Propers 268.155363 61407.578 0.1 + Impropers 21.300426 4430.489 0.0 + Pos. Restr. 50.051001 2502.550 0.0 + Virial 108.901776 1960.232 0.0 + Stop-CM 10.887231 108.872 0.0 + Calc-Ekin 217.353462 5868.543 0.0 + Lincs 47.950959 2877.058 0.0 + Lincs-Mat 238.804776 955.219 0.0 + Constraint-V 1083.371667 9750.345 0.0 + Constraint-Vir 103.560708 2485.457 0.0 + Settle 329.156583 121787.936 0.3 +----------------------------------------------------------------------------- + Total 43310426.319 100.0 +----------------------------------------------------------------------------- + + + D O M A I N D E C O M P O S I T I O N S T A T I S T I C S + + av. #atoms communicated per step for force: 2 x 0.0 + + + R E A L C Y C L E A N D T I M E A C C O U N T I N G + +On 1 MPI rank, each using 4 OpenMP threads + + Computing: Num Num Call Wall time Giga-Cycles + Ranks Threads Count (s) total sum % +----------------------------------------------------------------------------- + Domain decomp. 1 4 1000 2.065 27.351 0.9 + Neighbor search 1 4 1001 7.332 97.127 3.0 + Force 1 4 50001 164.344 2177.181 68.0 + PME mesh 1 4 50001 58.395 773.596 24.2 + NB X/F buffer ops. 1 4 99001 2.418 32.028 1.0 + Write traj. 1 4 101 0.553 7.328 0.2 + Update 1 4 50001 2.751 36.441 1.1 + Constraints 1 4 50001 2.749 36.422 1.1 + Rest 1.074 14.224 0.4 +----------------------------------------------------------------------------- + Total 241.680 3201.698 100.0 +----------------------------------------------------------------------------- + Breakdown of PME mesh computation +----------------------------------------------------------------------------- + PME spread 1 4 50001 20.074 265.933 8.3 + PME gather 1 4 50001 13.114 173.732 5.4 + PME 3D-FFT 1 4 100002 22.364 296.267 9.3 + PME solve Elec 1 4 50001 2.701 35.780 1.1 +----------------------------------------------------------------------------- + + Core t (s) Wall t (s) (%) + Time: 966.718 241.680 400.0 + (ns/day) (hour/ns) +Performance: 35.751 0.671 +Finished mdrun on rank 0 Tue Jan 14 16:24:10 2025 + diff --git a/biobb_wf_md_setup/tests/python/reference/step14_mdrun_npt/npt.trr b/biobb_wf_md_setup/tests/python/reference/step14_mdrun_npt/npt.trr new file mode 100644 index 0000000..ffc2bb6 Binary files /dev/null and b/biobb_wf_md_setup/tests/python/reference/step14_mdrun_npt/npt.trr differ diff --git a/biobb_wf_md_setup/tests/python/reference/step15_grompp_md/gppmd.tpr b/biobb_wf_md_setup/tests/python/reference/step15_grompp_md/gppmd.tpr new file mode 100644 index 0000000..d2e83da Binary files /dev/null and b/biobb_wf_md_setup/tests/python/reference/step15_grompp_md/gppmd.tpr differ diff --git a/biobb_wf_md_setup/tests/python/reference/step16_mdrun_md/md.cpt b/biobb_wf_md_setup/tests/python/reference/step16_mdrun_md/md.cpt new file mode 100644 index 0000000..0744d4f Binary files /dev/null and b/biobb_wf_md_setup/tests/python/reference/step16_mdrun_md/md.cpt differ diff --git a/biobb_wf_md_setup/tests/python/reference/step16_mdrun_md/md.edr b/biobb_wf_md_setup/tests/python/reference/step16_mdrun_md/md.edr new file mode 100644 index 0000000..8e7fedc Binary files /dev/null and b/biobb_wf_md_setup/tests/python/reference/step16_mdrun_md/md.edr differ diff --git a/biobb_wf_md_setup/tests/python/reference/step16_mdrun_md/md.gro b/biobb_wf_md_setup/tests/python/reference/step16_mdrun_md/md.gro new file mode 100644 index 0000000..a7c5f5f --- /dev/null +++ b/biobb_wf_md_setup/tests/python/reference/step16_mdrun_md/md.gro @@ -0,0 +1,21734 @@ +Protein in water +21731 + 1LYS N 1 3.609 4.464 1.325 -0.2508 -0.0387 -0.2716 + 1LYS H1 2 3.673 4.520 1.270 0.3126 0.1696 0.5777 + 1LYS H2 3 3.552 4.413 1.259 -2.1478 1.5290 0.0708 + 1LYS H3 4 3.565 4.534 1.383 0.8113 0.5666 -0.1608 + 1LYS CA 5 3.690 4.368 1.405 0.3220 0.2846 -0.3275 + 1LYS HA 6 3.747 4.304 1.338 0.2048 -0.0471 -0.1121 + 1LYS CB 7 3.796 4.443 1.489 -0.3981 -0.2488 0.3731 + 1LYS HB1 8 3.756 4.532 1.539 -0.1177 -0.3273 0.7413 + 1LYS HB2 9 3.870 4.480 1.418 0.3888 -1.9399 0.2580 + 1LYS CG 10 3.881 4.366 1.591 -0.1948 0.0163 0.0624 + 1LYS HG1 11 3.924 4.284 1.534 1.2711 0.9714 -0.2549 + 1LYS HG2 12 3.823 4.322 1.673 -2.8169 -1.0034 -2.1928 + 1LYS CD 13 3.989 4.459 1.646 0.5869 -0.1994 -0.0334 + 1LYS HD1 14 3.944 4.537 1.708 -0.3905 -0.7821 0.0036 + 1LYS HD2 15 4.049 4.510 1.571 -0.7300 2.2299 0.4561 + 1LYS CE 16 4.081 4.377 1.736 0.5900 0.8879 0.2196 + 1LYS HE1 17 4.141 4.306 1.679 1.2321 0.6905 1.1156 + 1LYS HE2 18 4.030 4.311 1.806 0.2039 -1.6116 -2.2296 + 1LYS NZ 19 4.199 4.450 1.791 -0.0283 -0.1227 -0.2085 + 1LYS HZ1 20 4.241 4.390 1.860 -2.0244 0.3910 1.5624 + 1LYS HZ2 21 4.263 4.472 1.716 0.2029 0.4735 0.1624 + 1LYS HZ3 22 4.169 4.533 1.840 2.0110 0.0412 0.8572 + 1LYS C 23 3.599 4.271 1.483 -0.2381 0.3599 0.2272 + 1LYS O 24 3.500 4.313 1.538 0.2413 0.2521 0.4401 + 2VAL N 25 3.642 4.145 1.495 0.0739 -0.0770 -0.6040 + 2VAL H 26 3.711 4.109 1.431 -1.5834 -0.2766 -2.3413 + 2VAL CA 27 3.607 4.050 1.597 -0.7697 -0.3236 0.1417 + 2VAL HA 28 3.528 4.099 1.654 -0.5484 2.7076 -1.9076 + 2VAL CB 29 3.557 3.926 1.532 0.5860 -0.0074 0.0213 + 2VAL HB 30 3.625 3.900 1.451 -1.0969 -0.2158 -1.3829 + 2VAL CG1 31 3.565 3.793 1.605 0.7725 0.2972 -0.1522 + 2VAL HG11 32 3.670 3.786 1.633 1.2007 2.0470 -1.1384 + 2VAL HG12 33 3.507 3.800 1.696 -0.3751 -2.5866 -0.5774 + 2VAL HG13 34 3.529 3.716 1.537 -1.5782 1.6825 -0.5816 + 2VAL CG2 35 3.414 3.946 1.483 -0.5489 0.3613 0.1001 + 2VAL HG21 36 3.400 3.870 1.406 1.2057 1.1040 -1.0087 + 2VAL HG22 37 3.344 3.933 1.565 0.7746 1.8610 1.5310 + 2VAL HG23 38 3.406 4.043 1.434 1.0950 -0.5432 -2.1535 + 2VAL C 39 3.732 4.019 1.687 0.0475 -0.5235 -0.2353 + 2VAL O 40 3.845 4.030 1.643 -0.2923 0.6998 1.0924 + 3PHE N 41 3.705 3.992 1.810 -0.2238 -0.3009 -0.2523 + 3PHE H 42 3.608 3.984 1.837 -1.2421 -0.1592 -3.5274 + 3PHE CA 43 3.810 3.947 1.904 0.0448 0.4109 0.0209 + 3PHE HA 44 3.908 3.954 1.857 -0.5855 0.5590 -1.3231 + 3PHE CB 45 3.816 4.033 2.025 0.4511 -0.0391 0.5656 + 3PHE HB1 46 3.883 3.981 2.094 1.8707 2.1096 0.8989 + 3PHE HB2 47 3.714 4.042 2.060 0.6668 -1.0877 1.5263 + 3PHE CG 48 3.880 4.173 2.002 -0.6183 -0.0134 -0.0915 + 3PHE CD1 49 3.795 4.274 1.955 -0.6061 0.6383 0.7845 + 3PHE HD1 50 3.693 4.257 1.922 -0.3245 1.0750 -0.3610 + 3PHE CE1 51 3.823 4.408 1.978 0.2291 0.1472 -0.0194 + 3PHE HE1 52 3.761 4.491 1.946 -0.9977 -0.2451 1.2302 + 3PHE CZ 53 3.943 4.438 2.041 -0.3716 0.4446 -0.9510 + 3PHE HZ 54 3.963 4.540 2.069 0.1597 0.3674 -1.0498 + 3PHE CE2 55 4.018 4.341 2.097 0.5800 0.1818 0.3944 + 3PHE HE2 56 4.107 4.369 2.152 0.8826 1.3225 -0.6336 + 3PHE CD2 57 3.989 4.208 2.082 -0.1254 0.5459 -0.4451 + 3PHE HD2 58 4.047 4.136 2.137 0.6160 -0.0779 -1.9987 + 3PHE C 59 3.799 3.803 1.949 0.3794 0.1499 -0.7970 + 3PHE O 60 3.691 3.736 1.951 0.1949 0.4424 0.3099 + 4GLY N 61 3.912 3.741 1.994 -0.5248 0.0723 0.7424 + 4GLY H 62 3.994 3.799 1.984 -1.2159 0.9043 -0.2849 + 4GLY CA 63 3.915 3.610 2.059 -0.0624 0.2986 0.8981 + 4GLY HA1 64 4.015 3.567 2.055 -0.3504 -0.3282 -1.8060 + 4GLY HA2 65 3.848 3.536 2.016 0.5145 -0.0714 0.6282 + 4GLY C 66 3.879 3.615 2.208 0.1587 0.1412 -0.4279 + 4GLY O 67 3.878 3.725 2.266 -0.1229 -0.2390 0.4292 + 5ARG N 68 3.856 3.502 2.271 0.4089 0.5456 0.4372 + 5ARG H 69 3.875 3.418 2.218 -0.2741 0.4132 0.3915 + 5ARG CA 70 3.791 3.485 2.406 -0.2187 0.0358 -0.2740 + 5ARG HA 71 3.712 3.561 2.402 1.3845 1.8140 0.1011 + 5ARG CB 72 3.741 3.335 2.424 0.4444 -0.0955 0.1929 + 5ARG HB1 73 3.831 3.274 2.432 0.5145 -0.3491 -1.9329 + 5ARG HB2 74 3.691 3.299 2.334 1.2218 0.9688 -0.6804 + 5ARG CG 75 3.650 3.310 2.551 -0.1363 0.5895 0.5069 + 5ARG HG1 76 3.558 3.370 2.550 -0.1392 0.5825 0.3870 + 5ARG HG2 77 3.702 3.342 2.641 0.2629 -1.6230 1.1155 + 5ARG CD 78 3.618 3.161 2.562 -0.3083 -0.8666 0.3161 + 5ARG HD1 79 3.570 3.127 2.470 -0.9169 -0.6588 0.5567 + 5ARG HD2 80 3.547 3.149 2.643 -2.5057 -0.4721 -1.4348 + 5ARG NE 81 3.741 3.085 2.581 -0.4927 -0.0449 0.0501 + 5ARG HE 82 3.795 3.062 2.499 -0.2755 1.2398 -0.1849 + 5ARG CZ 83 3.791 3.059 2.697 0.1273 0.2004 -0.5350 + 5ARG NH1 84 3.744 3.092 2.814 0.3022 0.1286 0.5857 + 5ARG HH11 85 3.663 3.152 2.825 -0.4134 -0.9852 1.7333 + 5ARG HH12 86 3.788 3.049 2.894 -1.8713 -2.4905 0.5387 + 5ARG NH2 87 3.892 2.980 2.698 -0.5343 0.3941 -0.2423 + 5ARG HH21 88 3.931 2.956 2.608 0.0100 1.4524 -0.3063 + 5ARG HH22 89 3.936 2.948 2.783 -1.4041 -1.7530 -0.5446 + 5ARG C 90 3.886 3.524 2.521 0.4296 0.4971 0.4270 + 5ARG O 91 3.843 3.594 2.612 0.4010 0.1137 0.3514 + 6CYS N 92 4.012 3.482 2.513 -0.4612 0.6476 -0.0199 + 6CYS H 93 4.034 3.416 2.440 -0.4043 1.3552 -0.6620 + 6CYS CA 94 4.116 3.524 2.604 -0.2511 0.0823 0.3850 + 6CYS HA 95 4.072 3.540 2.703 0.1727 0.4959 0.5090 + 6CYS CB 96 4.213 3.409 2.622 -0.6541 -0.1756 0.1198 + 6CYS HB1 97 4.288 3.441 2.695 -0.0542 -1.1870 -0.0339 + 6CYS HB2 98 4.254 3.389 2.523 -1.3102 -2.1711 0.2233 + 6CYS SG 99 4.138 3.253 2.671 0.3263 0.0968 0.1372 + 6CYS C 100 4.190 3.650 2.561 -0.3657 0.1727 1.0031 + 6CYS O 101 4.246 3.728 2.638 -0.6754 0.2984 -0.1957 + 7GLU N 102 4.187 3.684 2.434 -0.5566 1.0712 -0.2749 + 7GLU H 103 4.146 3.623 2.365 0.8699 -1.2587 0.7930 + 7GLU CA 104 4.219 3.815 2.386 0.0767 0.1903 0.7516 + 7GLU HA 105 4.319 3.838 2.423 -0.1513 -0.1522 1.6166 + 7GLU CB 106 4.239 3.805 2.229 0.7468 0.4364 0.0950 + 7GLU HB1 107 4.143 3.769 2.192 2.0460 -1.9754 -1.1779 + 7GLU HB2 108 4.320 3.737 2.202 -0.1247 0.7009 -3.7403 + 7GLU CG 109 4.269 3.934 2.159 -0.0093 -1.0963 0.2461 + 7GLU HG1 110 4.364 3.972 2.195 0.1324 0.9532 -2.0766 + 7GLU HG2 111 4.196 4.009 2.189 1.8568 0.2011 1.8014 + 7GLU CD 112 4.274 3.916 2.016 -0.1557 0.1573 0.3985 + 7GLU OE1 113 4.170 3.903 1.949 0.5062 -0.0159 -0.5534 + 7GLU OE2 114 4.388 3.913 1.960 -0.1899 -0.3209 0.1561 + 7GLU C 115 4.124 3.926 2.428 -0.0983 0.0177 0.8713 + 7GLU O 116 4.175 4.032 2.472 -0.3148 -0.4346 0.2738 + 8LEU N 117 3.995 3.912 2.429 -0.0742 -0.1604 0.4025 + 8LEU H 118 3.960 3.818 2.413 -0.9969 0.2762 -0.2083 + 8LEU CA 119 3.909 4.015 2.493 -0.1461 0.2480 0.5908 + 8LEU HA 120 3.928 4.111 2.444 -0.6456 -0.0344 -0.1709 + 8LEU CB 121 3.761 3.981 2.460 -0.0574 -1.3217 -0.1444 + 8LEU HB1 122 3.727 3.904 2.528 1.7343 -0.8590 1.3234 + 8LEU HB2 123 3.746 3.951 2.356 0.5324 0.5845 -0.8220 + 8LEU CG 124 3.666 4.102 2.491 -0.1000 0.0359 0.2675 + 8LEU HG 125 3.662 4.121 2.598 -1.9770 0.6216 0.1362 + 8LEU CD1 126 3.695 4.235 2.432 0.0240 -0.0994 0.4013 + 8LEU HD11 127 3.608 4.300 2.421 0.9587 1.2328 0.5909 + 8LEU HD12 128 3.775 4.286 2.486 0.8890 -1.7109 0.6856 + 8LEU HD13 129 3.732 4.221 2.331 0.1184 0.2886 0.3788 + 8LEU CD2 130 3.525 4.068 2.448 0.0352 -0.1766 0.9603 + 8LEU HD21 131 3.466 4.006 2.516 -2.1618 1.2298 0.4193 + 8LEU HD22 132 3.466 4.158 2.463 0.2221 0.0008 0.6530 + 8LEU HD23 133 3.520 4.042 2.342 3.2056 1.0352 0.3793 + 8LEU C 134 3.935 4.039 2.638 -0.0439 -0.4635 -0.3452 + 8LEU O 135 3.954 4.161 2.673 0.2935 0.4403 -0.3819 + 9ALA N 136 3.958 3.938 2.722 0.9433 0.0010 0.0772 + 9ALA H 137 3.960 3.844 2.685 1.5417 0.1408 -0.2646 + 9ALA CA 138 3.991 3.951 2.862 -0.0508 -0.2401 0.9992 + 9ALA HA 139 3.908 4.000 2.912 -1.5090 -2.5625 0.9898 + 9ALA CB 140 4.002 3.812 2.924 0.5246 0.1086 0.5374 + 9ALA HB1 141 4.030 3.810 3.029 0.4940 0.0632 0.5447 + 9ALA HB2 142 3.907 3.758 2.922 0.1496 0.6849 1.9553 + 9ALA HB3 143 4.078 3.758 2.868 0.7818 0.2723 0.7274 + 9ALA C 144 4.113 4.036 2.883 -0.8608 -0.4210 -0.0277 + 9ALA O 145 4.103 4.135 2.955 0.4979 0.0998 -0.3337 + 10ALA N 146 4.222 3.998 2.818 -0.2939 -0.2033 -0.0517 + 10ALA H 147 4.214 3.917 2.759 -0.5778 -0.8985 0.9139 + 10ALA CA 148 4.344 4.081 2.824 -0.3516 -0.5019 0.0002 + 10ALA HA 149 4.374 4.091 2.928 1.2473 -2.2966 -0.2313 + 10ALA CB 150 4.458 4.013 2.739 0.4615 0.3063 -0.0168 + 10ALA HB1 151 4.471 3.910 2.772 -1.2728 0.0763 0.0477 + 10ALA HB2 152 4.444 4.010 2.631 0.7357 1.5269 -0.1041 + 10ALA HB3 153 4.552 4.066 2.754 1.1423 -0.7788 -0.3243 + 10ALA C 154 4.321 4.223 2.777 -0.5885 0.0927 0.4216 + 10ALA O 155 4.349 4.321 2.845 -0.4435 -0.2872 0.3385 + 11ALA N 156 4.253 4.245 2.660 -0.0367 -0.6501 -0.2443 + 11ALA H 157 4.232 4.159 2.610 -0.1842 -2.4862 2.7240 + 11ALA CA 158 4.209 4.376 2.604 0.7778 -0.0029 0.4633 + 11ALA HA 159 4.301 4.432 2.586 -0.4516 1.8360 -0.4096 + 11ALA CB 160 4.139 4.357 2.470 0.5424 -0.1755 -0.0103 + 11ALA HB1 161 4.202 4.306 2.397 0.0424 0.1810 -0.7085 + 11ALA HB2 162 4.042 4.308 2.479 0.6265 -0.5943 -1.2162 + 11ALA HB3 163 4.129 4.455 2.423 -1.7027 0.5271 1.7824 + 11ALA C 164 4.131 4.462 2.707 0.6841 -0.1871 -0.5016 + 11ALA O 165 4.146 4.587 2.708 0.3667 -0.0557 -0.6194 + 12MET N 166 4.050 4.395 2.787 -0.6196 0.1877 0.0456 + 12MET H 167 4.020 4.302 2.765 0.5173 0.3893 -2.8610 + 12MET CA 168 3.974 4.471 2.882 0.1149 -0.4385 0.2412 + 12MET HA 169 3.948 4.564 2.832 -1.5755 -1.5124 -0.9501 + 12MET CB 170 3.849 4.396 2.913 0.7034 0.4994 -0.0073 + 12MET HB1 171 3.801 4.432 3.004 0.3221 -0.4527 0.1817 + 12MET HB2 172 3.888 4.294 2.922 -0.2749 0.1734 0.6691 + 12MET CG 173 3.738 4.393 2.806 0.0195 0.6704 -0.4928 + 12MET HG1 174 3.670 4.308 2.814 0.5685 0.0788 -1.7973 + 12MET HG2 175 3.790 4.372 2.713 0.5123 -0.5551 0.0376 + 12MET SD 176 3.646 4.538 2.788 0.2069 0.2979 0.0711 + 12MET CE 177 3.541 4.499 2.640 0.3921 0.1247 -0.4336 + 12MET HE1 178 3.598 4.517 2.549 -0.6247 -1.7666 -1.4931 + 12MET HE2 179 3.508 4.396 2.655 1.3158 0.1544 2.3878 + 12MET HE3 180 3.460 4.572 2.639 -3.0709 -3.2326 2.2468 + 12MET C 181 4.055 4.494 3.020 0.0089 0.1158 0.3180 + 12MET O 182 4.043 4.601 3.084 -0.1256 0.3079 -0.2334 + 13LYS N 183 4.132 4.398 3.062 -0.9539 0.7378 -0.5675 + 13LYS H 184 4.130 4.310 3.012 -0.3874 1.0784 -1.2007 + 13LYS CA 185 4.235 4.408 3.177 0.8380 -0.3773 1.2913 + 13LYS HA 186 4.176 4.447 3.259 1.8297 -0.5139 2.0938 + 13LYS CB 187 4.296 4.270 3.219 -0.2742 -0.0114 -0.1145 + 13LYS HB1 188 4.355 4.229 3.136 0.9126 1.9283 -0.2838 + 13LYS HB2 189 4.217 4.196 3.227 -0.8162 0.7620 2.7152 + 13LYS CG 190 4.367 4.259 3.353 -0.1054 0.3693 0.0671 + 13LYS HG1 191 4.310 4.319 3.425 0.9931 0.2025 1.1179 + 13LYS HG2 192 4.465 4.307 3.350 1.2087 -1.9957 1.8953 + 13LYS CD 193 4.387 4.118 3.400 0.2380 0.1370 0.2572 + 13LYS HD1 194 4.467 4.071 3.344 1.9134 0.7652 2.0123 + 13LYS HD2 195 4.292 4.068 3.377 1.6227 -1.4487 -2.4905 + 13LYS CE 196 4.410 4.113 3.553 -0.9183 0.0301 0.8006 + 13LYS HE1 197 4.314 4.110 3.605 -0.1266 -1.3015 2.2627 + 13LYS HE2 198 4.465 4.197 3.595 -0.6044 0.4693 -0.4494 + 13LYS NZ 199 4.485 3.994 3.592 0.5055 -0.0376 -0.0598 + 13LYS HZ1 200 4.431 3.928 3.646 2.3895 -1.9163 -0.3713 + 13LYS HZ2 201 4.504 3.941 3.509 -2.5053 -1.0213 -0.2297 + 13LYS HZ3 202 4.568 4.021 3.643 0.4593 0.7326 -0.3679 + 13LYS C 203 4.344 4.508 3.147 -0.0006 -0.7593 0.0099 + 13LYS O 204 4.386 4.583 3.233 0.2886 -0.1362 0.1235 + 14ARG N 205 4.375 4.528 3.022 -0.2952 -0.1543 0.3497 + 14ARG H 206 4.357 4.449 2.961 2.4695 1.5548 -3.0501 + 14ARG CA 207 4.481 4.617 2.977 -0.3795 -1.0206 0.6109 + 14ARG HA 208 4.558 4.614 3.054 -1.3808 1.3315 1.8002 + 14ARG CB 209 4.531 4.589 2.829 0.3576 -0.2564 0.8131 + 14ARG HB1 210 4.463 4.632 2.756 1.6909 1.2662 0.3944 + 14ARG HB2 211 4.542 4.486 2.795 0.5261 0.0733 -0.1499 + 14ARG CG 212 4.668 4.652 2.790 -0.1647 -0.5291 0.2050 + 14ARG HG1 213 4.738 4.652 2.874 -0.5519 -0.2291 0.5308 + 14ARG HG2 214 4.645 4.756 2.765 -0.3110 -1.0221 -1.8226 + 14ARG CD 215 4.731 4.588 2.662 -0.6628 -0.3440 0.2073 + 14ARG HD1 216 4.800 4.654 2.609 -2.6924 1.8303 0.1388 + 14ARG HD2 217 4.651 4.564 2.592 -0.0361 -3.5580 0.4136 + 14ARG NE 218 4.796 4.466 2.709 -0.8851 -1.1356 -0.4493 + 14ARG HE 219 4.814 4.479 2.808 0.7429 3.2224 -1.1096 + 14ARG CZ 220 4.814 4.351 2.647 0.3098 0.1388 -0.1038 + 14ARG NH1 221 4.772 4.333 2.521 0.0275 -0.2547 0.1159 + 14ARG HH11 222 4.752 4.412 2.462 -0.4589 -0.2190 0.3230 + 14ARG HH12 223 4.752 4.241 2.486 -0.6704 -0.7964 1.8551 + 14ARG NH2 224 4.870 4.249 2.704 0.1588 -0.4091 -0.5317 + 14ARG HH21 225 4.881 4.253 2.805 -0.9035 -1.1627 -0.3548 + 14ARG HH22 226 4.850 4.160 2.660 -1.6358 0.6395 -1.9488 + 14ARG C 227 4.418 4.759 2.977 -0.8482 0.1541 0.2241 + 14ARG O 228 4.482 4.853 3.012 -0.1252 0.0031 0.4158 + 15HIS N 229 4.287 4.770 2.939 0.1604 -0.7710 0.5992 + 15HIS H 230 4.239 4.682 2.925 0.0779 -0.5270 -0.6834 + 15HIS CA 231 4.213 4.898 2.950 0.4450 -0.0970 0.3435 + 15HIS HA 232 4.270 4.991 2.941 -3.4915 2.8841 2.8673 + 15HIS CB 233 4.109 4.917 2.835 -0.4823 0.4327 -0.1023 + 15HIS HB1 234 4.037 4.995 2.861 -0.6792 0.0937 0.3861 + 15HIS HB2 235 4.054 4.823 2.835 0.2999 -0.0248 -0.4303 + 15HIS CG 236 4.160 4.955 2.698 0.1298 -0.1464 -0.3638 + 15HIS ND1 237 4.289 4.956 2.652 -0.2015 0.4343 0.2339 + 15HIS CE1 238 4.281 4.982 2.522 -0.2156 0.0054 -0.1533 + 15HIS HE1 239 4.363 5.003 2.456 -1.7900 2.2318 -1.5443 + 15HIS NE2 240 4.155 4.992 2.486 0.6383 0.7051 -0.1265 + 15HIS HE2 241 4.112 5.010 2.397 -0.0775 2.1796 0.4840 + 15HIS CD2 242 4.079 4.983 2.597 0.1336 -0.5726 0.2503 + 15HIS HD2 243 3.971 4.992 2.603 0.0359 -1.2253 -0.3848 + 15HIS C 244 4.151 4.927 3.083 -0.3785 -0.6564 -0.5020 + 15HIS O 245 4.060 5.011 3.099 -0.7485 0.8680 -0.1184 + 16GLY N 246 4.195 4.849 3.188 -0.2665 -0.7057 0.4331 + 16GLY H 247 4.264 4.779 3.164 1.9226 1.6645 -0.6361 + 16GLY CA 248 4.165 4.879 3.328 -0.2795 0.3152 0.5688 + 16GLY HA1 249 4.171 4.988 3.334 -0.0443 0.3099 0.4511 + 16GLY HA2 250 4.248 4.828 3.378 0.0355 -0.7584 -0.9890 + 16GLY C 251 4.033 4.826 3.383 -0.1729 -0.0840 0.2987 + 16GLY O 252 3.981 4.890 3.474 -0.2509 0.6755 -0.1549 + 17LEU N 253 3.971 4.721 3.333 -0.2094 -0.0082 0.3040 + 17LEU H 254 4.016 4.691 3.248 2.7754 0.2678 1.6790 + 17LEU CA 255 3.840 4.667 3.364 -0.3325 0.4843 -0.1546 + 17LEU HA 256 3.797 4.737 3.435 0.1063 -0.1826 0.7768 + 17LEU CB 257 3.760 4.653 3.239 -0.1605 0.6258 -0.0993 + 17LEU HB1 258 3.674 4.589 3.260 1.1156 -0.9816 0.4608 + 17LEU HB2 259 3.815 4.604 3.159 -0.2975 2.4445 -1.3582 + 17LEU CG 260 3.706 4.792 3.193 -0.1295 -0.3194 -0.1629 + 17LEU HG 261 3.789 4.862 3.196 -0.4749 0.0653 1.9036 + 17LEU CD1 262 3.651 4.772 3.053 -0.1189 0.5513 -0.1338 + 17LEU HD11 263 3.586 4.858 3.033 -1.0065 -0.1855 -0.4940 + 17LEU HD12 264 3.742 4.763 2.994 0.1854 0.4906 0.3387 + 17LEU HD13 265 3.596 4.678 3.052 -1.4850 1.1311 3.4758 + 17LEU CD2 266 3.604 4.836 3.294 -0.3770 -0.4525 -0.3696 + 17LEU HD21 267 3.541 4.752 3.324 -0.0948 -0.3569 0.5132 + 17LEU HD22 268 3.660 4.880 3.376 2.1510 -2.6900 -0.7722 + 17LEU HD23 269 3.540 4.918 3.261 2.0725 1.9854 0.5245 + 17LEU C 270 3.838 4.545 3.461 -0.4334 0.6099 0.8651 + 17LEU O 271 3.731 4.486 3.480 -0.4461 0.2848 0.0709 + 18ASP N 272 3.945 4.501 3.526 -0.5639 0.3812 0.0205 + 18ASP H 273 4.029 4.556 3.522 0.4252 -1.1673 -1.4888 + 18ASP CA 274 3.947 4.393 3.620 0.0959 -0.3242 0.3222 + 18ASP HA 275 3.892 4.307 3.582 0.4906 -0.3485 -0.2226 + 18ASP CB 276 4.090 4.346 3.638 -0.1851 0.2525 0.1868 + 18ASP HB1 277 4.153 4.426 3.675 -1.5315 1.4591 -0.0458 + 18ASP HB2 278 4.129 4.324 3.539 1.6059 0.5540 0.7957 + 18ASP CG 279 4.108 4.211 3.706 -0.8741 0.1142 0.0103 + 18ASP OD1 280 4.086 4.103 3.645 0.4947 -0.3264 -0.1837 + 18ASP OD2 281 4.153 4.207 3.822 1.1487 0.2801 -0.0943 + 18ASP C 282 3.880 4.432 3.755 -0.9895 0.0431 -0.0442 + 18ASP O 283 3.931 4.518 3.824 -0.5190 0.8159 -0.3927 + 19ASN N 284 3.775 4.363 3.790 -0.2293 -0.6834 0.2784 + 19ASN H 285 3.740 4.297 3.722 0.2468 0.1699 -0.8234 + 19ASN CA 286 3.681 4.411 3.898 0.3727 0.5998 0.0503 + 19ASN HA 287 3.581 4.373 3.878 -0.1075 0.9470 1.6575 + 19ASN CB 288 3.726 4.348 4.030 0.3666 0.3884 -0.4893 + 19ASN HB1 289 3.815 4.402 4.063 0.5978 -0.8405 0.9767 + 19ASN HB2 290 3.751 4.243 4.016 -1.4001 0.1008 -1.8243 + 19ASN CG 291 3.622 4.333 4.141 -0.0956 0.3129 0.3667 + 19ASN OD1 292 3.516 4.286 4.113 -0.3716 -0.0627 0.0298 + 19ASN ND2 293 3.649 4.374 4.264 0.5888 -0.5122 0.9061 + 19ASN HD21 294 3.738 4.416 4.286 0.6264 -0.3713 0.5055 + 19ASN HD22 295 3.580 4.365 4.337 0.2937 1.8216 1.0190 + 19ASN C 296 3.660 4.561 3.904 0.1123 -0.5768 -0.0661 + 19ASN O 297 3.661 4.613 4.011 0.0475 -0.0707 -0.1439 + 20TYR N 298 3.645 4.631 3.789 -0.0083 0.1695 0.3268 + 20TYR H 299 3.620 4.574 3.710 1.8094 -1.4491 0.8677 + 20TYR CA 300 3.601 4.768 3.788 -0.8238 0.1708 -0.3736 + 20TYR HA 301 3.673 4.819 3.853 -0.3320 -1.5336 0.4876 + 20TYR CB 302 3.613 4.825 3.649 -0.1045 -0.2660 0.1245 + 20TYR HB1 303 3.529 4.795 3.587 -1.0022 1.4840 0.4563 + 20TYR HB2 304 3.700 4.789 3.594 -1.4273 -1.2986 -1.3628 + 20TYR CG 305 3.616 4.973 3.657 0.2663 0.1959 -0.0552 + 20TYR CD1 306 3.739 5.038 3.661 1.0051 0.6774 -0.3853 + 20TYR HD1 307 3.832 4.984 3.660 1.0471 0.6330 1.4773 + 20TYR CE1 308 3.740 5.180 3.663 0.2874 -0.0139 -0.3585 + 20TYR HE1 309 3.833 5.233 3.675 0.2544 -0.3223 1.7283 + 20TYR CZ 310 3.620 5.255 3.665 -0.5353 0.3036 0.0432 + 20TYR OH 311 3.620 5.394 3.659 0.6761 -0.0314 0.5838 + 20TYR HH 312 3.530 5.425 3.671 1.3524 1.8265 1.1285 + 20TYR CE2 313 3.497 5.190 3.653 0.9195 0.0952 -0.2092 + 20TYR HE2 314 3.401 5.238 3.663 -0.0800 -1.9081 0.5284 + 20TYR CD2 315 3.495 5.049 3.661 -0.8128 -0.3188 -0.1634 + 20TYR HD2 316 3.395 5.010 3.657 -0.8700 -0.3272 0.9195 + 20TYR C 317 3.466 4.795 3.867 -0.3752 -0.5955 -0.3279 + 20TYR O 318 3.369 4.729 3.839 0.3254 -0.7431 0.1402 + 21ARG N 319 3.474 4.886 3.966 0.2227 -0.2080 -0.0134 + 21ARG H 320 3.567 4.919 3.984 0.5785 -1.2239 0.0894 + 21ARG CA 321 3.363 4.914 4.064 -0.6152 -0.3163 -0.1394 + 21ARG HA 322 3.402 4.985 4.137 -3.0705 3.4487 -2.1192 + 21ARG CB 323 3.256 4.988 3.988 -0.1376 0.0258 -0.1215 + 21ARG HB1 324 3.199 4.911 3.936 -2.2231 -0.1567 2.2115 + 21ARG HB2 325 3.305 5.046 3.911 -0.0559 0.5545 0.3206 + 21ARG CG 326 3.155 5.072 4.069 0.3914 -0.0560 0.3990 + 21ARG HG1 327 3.207 5.152 4.121 -0.1430 1.3224 -1.0724 + 21ARG HG2 328 3.112 5.011 4.148 0.1038 0.0725 0.3456 + 21ARG CD 329 3.047 5.135 3.982 -0.1489 0.6138 -0.4997 + 21ARG HD1 330 2.955 5.112 4.036 -1.0529 -0.4552 -2.3928 + 21ARG HD2 331 3.030 5.098 3.881 -2.4084 1.5009 -0.5004 + 21ARG NE 332 3.060 5.277 3.976 -0.5393 0.1059 -0.1456 + 21ARG HE 333 3.123 5.319 3.909 0.5660 -0.5005 0.4913 + 21ARG CZ 334 3.015 5.361 4.059 0.8022 -0.5131 -0.5326 + 21ARG NH1 335 3.043 5.487 4.057 0.0506 0.6007 -0.2049 + 21ARG HH11 336 3.121 5.511 3.998 1.3376 -0.5113 0.9735 + 21ARG HH12 337 3.022 5.542 4.140 1.6976 1.3425 -0.2446 + 21ARG NH2 338 2.927 5.332 4.155 0.4992 0.5313 -0.7514 + 21ARG HH21 339 2.878 5.244 4.163 0.7257 0.5353 1.0264 + 21ARG HH22 340 2.918 5.396 4.232 -0.3897 -1.6651 1.0820 + 21ARG C 341 3.316 4.787 4.143 -0.7715 -0.0065 -0.6031 + 21ARG O 342 3.216 4.794 4.222 -0.1263 -0.1310 -0.0110 + 22GLY N 343 3.386 4.675 4.138 -0.3066 0.1496 -0.3496 + 22GLY H 344 3.468 4.666 4.078 0.1606 -1.2662 0.4563 + 22GLY CA 345 3.335 4.554 4.195 0.2765 0.2835 0.6625 + 22GLY HA1 346 3.263 4.565 4.275 -0.8110 -0.9873 -0.1039 + 22GLY HA2 347 3.426 4.510 4.238 0.5689 -0.1988 -0.4027 + 22GLY C 348 3.271 4.449 4.102 0.5751 0.2311 -0.0148 + 22GLY O 349 3.221 4.345 4.145 0.6175 0.7255 -0.6515 + 23TYR N 350 3.265 4.476 3.968 0.5686 -0.2340 0.0756 + 23TYR H 351 3.302 4.564 3.934 0.0827 0.1922 0.6224 + 23TYR CA 352 3.220 4.372 3.868 -0.1356 -0.3510 0.6289 + 23TYR HA 353 3.173 4.282 3.908 0.5361 -1.5016 -1.0542 + 23TYR CB 354 3.122 4.442 3.779 0.2458 -0.3838 0.7159 + 23TYR HB1 355 3.117 4.389 3.684 -1.5657 0.7388 0.1339 + 23TYR HB2 356 3.157 4.541 3.750 -0.1767 -0.1221 1.0822 + 23TYR CG 357 2.991 4.455 3.848 0.1754 0.1514 -0.0366 + 23TYR CD1 358 2.887 4.363 3.818 0.0996 0.5596 -0.4220 + 23TYR HD1 359 2.902 4.268 3.768 -2.4178 -1.0945 1.7033 + 23TYR CE1 360 2.761 4.375 3.875 -0.0734 -0.4680 -0.5122 + 23TYR HE1 361 2.687 4.297 3.867 0.0497 -0.6700 0.3314 + 23TYR CZ 362 2.729 4.497 3.939 -0.3557 -0.2717 -0.1162 + 23TYR OH 363 2.598 4.519 3.955 0.9535 0.2471 -0.1275 + 23TYR HH 364 2.582 4.603 3.998 1.6232 1.4392 -2.0589 + 23TYR CE2 365 2.827 4.599 3.961 -0.0550 -0.5498 -0.5010 + 23TYR HE2 366 2.794 4.682 4.020 -0.4984 -0.8681 -0.2978 + 23TYR CD2 367 2.959 4.575 3.915 -0.3681 -0.3831 0.6889 + 23TYR HD2 368 3.040 4.645 3.926 0.3262 -1.0958 0.3076 + 23TYR C 369 3.346 4.313 3.794 0.4180 0.9033 -0.1492 + 23TYR O 370 3.408 4.384 3.713 -0.3376 -0.2759 0.2170 + 24SER N 371 3.384 4.187 3.827 0.4041 0.4002 -0.1794 + 24SER H 372 3.327 4.138 3.893 0.4806 -2.9960 -2.3845 + 24SER CA 373 3.506 4.117 3.790 0.0354 0.2217 0.8261 + 24SER HA 374 3.593 4.174 3.822 0.4946 -0.0105 0.0254 + 24SER CB 375 3.519 3.990 3.872 -0.7517 -0.4071 -0.2614 + 24SER HB1 376 3.517 4.011 3.979 0.2893 1.3926 -0.5692 + 24SER HB2 377 3.620 3.954 3.855 -0.1011 1.2643 -0.1043 + 24SER OG 378 3.414 3.901 3.855 0.4620 0.1804 -0.3114 + 24SER HG 379 3.430 3.827 3.913 2.5285 -0.2266 -1.2985 + 24SER C 380 3.513 4.099 3.640 0.8644 0.2784 0.0331 + 24SER O 381 3.411 4.115 3.567 0.1358 0.6834 -0.1080 + 25LEU N 382 3.634 4.076 3.585 0.3628 0.1576 0.0633 + 25LEU H 383 3.716 4.072 3.644 0.4261 0.6005 0.0063 + 25LEU CA 384 3.651 4.061 3.438 0.2118 0.2117 -0.8136 + 25LEU HA 385 3.635 4.159 3.393 -0.8473 0.8489 0.8576 + 25LEU CB 386 3.803 4.021 3.422 -0.0218 -0.6145 -0.1439 + 25LEU HB1 387 3.817 3.922 3.465 2.1270 -0.9397 -1.4230 + 25LEU HB2 388 3.861 4.092 3.480 -1.8430 -0.4408 1.5559 + 25LEU CG 389 3.850 4.012 3.277 0.2302 -0.5466 -0.4958 + 25LEU HG 390 3.789 3.942 3.219 -2.9441 1.4369 0.2122 + 25LEU CD1 391 3.838 4.145 3.205 0.0799 -0.6180 -0.0534 + 25LEU HD11 392 3.734 4.176 3.215 0.2903 -0.6377 2.9764 + 25LEU HD12 393 3.893 4.228 3.251 1.1570 -1.6047 0.4831 + 25LEU HD13 394 3.869 4.145 3.100 0.8685 0.9077 0.1400 + 25LEU CD2 395 4.005 3.965 3.268 -0.2717 -0.7618 -0.5144 + 25LEU HD21 396 4.077 4.027 3.322 0.3073 -3.2521 1.8017 + 25LEU HD22 397 4.014 3.863 3.305 0.8322 -0.1192 1.1173 + 25LEU HD23 398 4.036 3.965 3.164 -2.2837 -0.9955 -1.1554 + 25LEU C 399 3.554 3.969 3.361 -0.0991 -0.7409 0.0544 + 25LEU O 400 3.505 4.008 3.254 -0.1383 -0.5439 0.5640 + 26GLY N 401 3.524 3.854 3.420 -0.0634 -0.1285 -0.2598 + 26GLY H 402 3.565 3.823 3.506 2.9615 -1.1608 -1.9233 + 26GLY CA 403 3.437 3.760 3.351 -0.1593 -0.6747 0.2247 + 26GLY HA1 404 3.422 3.670 3.410 -0.4281 -0.7581 0.0312 + 26GLY HA2 405 3.487 3.728 3.259 -0.4723 0.5286 -0.3852 + 26GLY C 406 3.299 3.812 3.309 0.7953 0.0477 0.3731 + 26GLY O 407 3.235 3.764 3.215 -0.6475 0.0812 0.1181 + 27ASN N 408 3.252 3.920 3.375 -0.5673 0.4030 0.2266 + 27ASN H 409 3.313 3.958 3.446 0.7593 -0.0625 -0.6209 + 27ASN CA 410 3.139 4.006 3.337 -0.3640 -0.6466 0.2801 + 27ASN HA 411 3.053 3.939 3.335 -1.1820 0.3704 -1.7870 + 27ASN CB 412 3.127 4.116 3.442 0.5178 -0.0812 -0.3770 + 27ASN HB1 413 3.061 4.197 3.409 2.2790 1.5661 -0.0607 + 27ASN HB2 414 3.225 4.162 3.453 0.7304 -0.3835 -0.9563 + 27ASN CG 415 3.072 4.072 3.577 0.6652 -0.3043 0.0335 + 27ASN OD1 416 2.955 4.083 3.598 0.6348 0.1712 -0.3678 + 27ASN ND2 417 3.160 4.028 3.661 0.0648 0.1374 -0.6582 + 27ASN HD21 418 3.258 4.030 3.640 0.5275 -0.1614 1.2778 + 27ASN HD22 419 3.126 4.018 3.756 0.9300 -2.1198 -0.5104 + 27ASN C 420 3.145 4.055 3.196 -0.1600 -0.7901 0.8913 + 27ASN O 421 3.055 4.046 3.116 -0.1924 -0.8546 -0.0439 + 28TRP N 422 3.256 4.130 3.167 -0.1877 -0.3694 -0.2410 + 28TRP H 423 3.318 4.131 3.247 -1.4507 -1.8749 0.8319 + 28TRP CA 424 3.285 4.201 3.042 -0.3275 0.4028 -0.4665 + 28TRP HA 425 3.193 4.255 3.020 -1.3112 -1.5376 -1.3281 + 28TRP CB 426 3.393 4.306 3.085 -0.1021 -0.4746 0.1414 + 28TRP HB1 427 3.394 4.374 2.999 -3.0382 -0.1024 0.2905 + 28TRP HB2 428 3.491 4.262 3.101 0.1213 0.6722 2.1395 + 28TRP CG 429 3.373 4.395 3.204 -0.1554 -0.4327 0.1159 + 28TRP CD1 430 3.407 4.364 3.333 -0.0167 -0.2258 0.7621 + 28TRP HD1 431 3.457 4.276 3.370 -1.8046 -1.4498 0.4162 + 28TRP NE1 432 3.372 4.468 3.415 -0.4088 -0.2542 0.0587 + 28TRP HE1 433 3.381 4.468 3.515 -0.4415 -0.7389 0.0643 + 28TRP CE2 434 3.318 4.570 3.346 -0.3320 -0.3105 0.2608 + 28TRP CZ2 435 3.258 4.692 3.382 0.4029 0.0400 0.7563 + 28TRP HZ2 436 3.240 4.710 3.487 -0.8474 1.4106 0.3480 + 28TRP CH2 437 3.197 4.776 3.285 -0.3166 -0.4750 -0.8102 + 28TRP HH2 438 3.161 4.877 3.304 1.0630 -0.0719 -0.1928 + 28TRP CZ3 439 3.220 4.742 3.155 -0.3034 0.3186 -0.3216 + 28TRP HZ3 440 3.185 4.810 3.079 1.7184 1.1035 -0.6176 + 28TRP CE3 441 3.267 4.616 3.117 0.5164 -0.1856 0.0680 + 28TRP HE3 442 3.277 4.592 3.012 1.1014 0.0565 0.0639 + 28TRP CD2 443 3.318 4.526 3.211 -0.1822 0.1274 -0.4791 + 28TRP C 444 3.324 4.106 2.924 0.6832 0.2984 0.4982 + 28TRP O 445 3.285 4.139 2.812 -0.5779 -0.0745 0.4885 + 29VAL N 446 3.356 3.974 2.947 -0.3176 -0.3775 -0.9194 + 29VAL H 447 3.381 3.958 3.044 -0.8476 -0.3485 -0.7730 + 29VAL CA 448 3.362 3.872 2.841 0.8598 0.0804 -0.5061 + 29VAL HA 449 3.382 3.917 2.744 0.5731 -0.9425 -1.0619 + 29VAL CB 450 3.474 3.768 2.881 0.4511 -0.2141 0.9669 + 29VAL HB 451 3.467 3.721 2.979 -1.4332 0.7726 1.3511 + 29VAL CG1 452 3.487 3.655 2.782 -0.4885 0.3362 -0.9891 + 29VAL HG11 453 3.408 3.581 2.798 0.6055 -0.6200 0.2960 + 29VAL HG12 454 3.483 3.688 2.679 -1.1508 -0.7841 -1.3397 + 29VAL HG13 455 3.585 3.610 2.796 -0.5340 0.5528 0.1698 + 29VAL CG2 456 3.603 3.857 2.873 0.6590 -0.0079 0.6061 + 29VAL HG21 457 3.691 3.794 2.876 0.5724 -0.2035 -0.5444 + 29VAL HG22 458 3.610 3.902 2.773 -1.1580 -0.0356 0.4226 + 29VAL HG23 459 3.600 3.923 2.960 -1.0858 -0.8483 1.2250 + 29VAL C 460 3.222 3.807 2.831 -0.4215 -0.0196 -0.0466 + 29VAL O 461 3.168 3.786 2.718 0.0345 -0.0725 0.1241 + 30CYS N 462 3.143 3.790 2.943 -0.2552 -0.0880 -0.0857 + 30CYS H 463 3.181 3.765 3.034 -0.4048 0.5160 0.1486 + 30CYS CA 464 3.010 3.733 2.927 0.2487 0.4131 -0.3622 + 30CYS HA 465 3.008 3.641 2.869 -3.8554 -0.0749 0.2089 + 30CYS CB 466 2.957 3.665 3.057 0.6880 -0.3276 -0.2709 + 30CYS HB1 467 2.967 3.737 3.138 -1.2520 0.6137 -0.8315 + 30CYS HB2 468 3.026 3.583 3.079 1.4155 0.5708 0.9078 + 30CYS SG 469 2.789 3.590 3.060 -0.2830 0.1387 -0.1926 + 30CYS C 470 2.911 3.837 2.858 -1.1405 -0.0565 0.0194 + 30CYS O 471 2.827 3.800 2.776 -0.4554 0.3587 -0.0248 + 31ALA N 472 2.929 3.968 2.877 0.0222 0.2998 0.5162 + 31ALA H 473 2.986 3.997 2.955 1.1446 1.5259 -0.7062 + 31ALA CA 474 2.849 4.071 2.814 -0.5313 -0.0713 -0.2282 + 31ALA HA 475 2.746 4.036 2.823 -0.3053 -0.3592 1.6347 + 31ALA CB 476 2.874 4.208 2.891 -0.1076 -0.7320 0.0628 + 31ALA HB1 477 2.814 4.280 2.836 -0.1818 -0.8563 -0.0198 + 31ALA HB2 478 2.828 4.212 2.990 -0.6426 1.8848 -0.2187 + 31ALA HB3 479 2.978 4.233 2.907 0.0175 -1.6148 0.6762 + 31ALA C 480 2.886 4.076 2.661 -0.0380 0.5987 0.7810 + 31ALA O 481 2.803 4.074 2.573 0.1086 -0.4209 -0.3664 + 32ALA N 482 3.015 4.070 2.621 0.6026 0.3955 0.7593 + 32ALA H 483 3.077 4.053 2.699 -1.4588 0.1385 2.4320 + 32ALA CA 484 3.058 4.082 2.483 -0.5493 0.1665 0.3082 + 32ALA HA 485 3.011 4.167 2.433 -0.3492 -0.8944 -1.7951 + 32ALA CB 486 3.211 4.098 2.484 0.2370 0.2859 -0.0895 + 32ALA HB1 487 3.249 4.183 2.540 2.7711 -1.7064 1.4337 + 32ALA HB2 488 3.249 4.002 2.518 1.3044 0.0483 -1.8258 + 32ALA HB3 489 3.252 4.117 2.385 -0.1082 -0.6589 -0.4323 + 32ALA C 490 3.025 3.951 2.405 0.0636 0.5658 -0.4481 + 32ALA O 491 3.012 3.956 2.285 -0.2663 0.1262 -0.2764 + 33LYS N 492 2.995 3.835 2.474 -0.4226 0.1379 -0.6932 + 33LYS H 493 3.018 3.832 2.573 -0.1152 0.7672 -0.7427 + 33LYS CA 494 2.943 3.712 2.418 -0.2514 -0.7770 -0.2420 + 33LYS HA 495 3.004 3.687 2.332 1.5448 -0.2502 0.8206 + 33LYS CB 496 2.965 3.585 2.510 -0.6224 -1.4908 -0.4311 + 33LYS HB1 497 2.925 3.608 2.609 -1.4674 1.6981 -1.3954 + 33LYS HB2 498 3.071 3.559 2.518 -0.0395 0.4846 -1.0112 + 33LYS CG 499 2.895 3.463 2.455 0.5623 -0.3265 0.1158 + 33LYS HG1 500 2.798 3.503 2.426 0.5593 -1.2781 -1.3162 + 33LYS HG2 501 2.884 3.393 2.538 0.9485 0.3576 0.7574 + 33LYS CD 502 2.970 3.390 2.340 -0.1781 -0.2633 0.2209 + 33LYS HD1 503 3.072 3.371 2.374 1.0456 2.1028 -1.8291 + 33LYS HD2 504 2.972 3.460 2.257 -0.2183 -1.2036 -0.5934 + 33LYS CE 505 2.899 3.265 2.291 0.6277 0.3409 -0.2857 + 33LYS HE1 506 2.798 3.286 2.255 0.0004 1.2704 1.8158 + 33LYS HE2 507 2.883 3.204 2.381 0.3441 1.0099 0.1292 + 33LYS NZ 508 2.976 3.190 2.191 0.3858 -0.3402 0.2153 + 33LYS HZ1 509 3.062 3.151 2.227 -0.4596 -2.3052 0.2225 + 33LYS HZ2 510 2.922 3.114 2.151 -0.2963 0.7519 -1.0135 + 33LYS HZ3 511 3.006 3.253 2.119 1.0571 -1.3848 -0.4454 + 33LYS C 512 2.798 3.733 2.378 0.0962 0.7730 -0.9339 + 33LYS O 513 2.760 3.706 2.263 -0.1725 0.3493 -0.2083 + 34PHE N 514 2.705 3.783 2.467 -0.0713 0.3568 -0.8166 + 34PHE H 515 2.738 3.810 2.558 -0.2118 -0.5816 -0.4707 + 34PHE CA 516 2.565 3.793 2.439 -0.0820 -0.0389 0.1365 + 34PHE HA 517 2.543 3.728 2.355 -1.2039 0.2199 0.2064 + 34PHE CB 518 2.481 3.740 2.554 0.7769 -0.8543 -0.0911 + 34PHE HB1 519 2.379 3.742 2.516 1.7182 -0.8053 -2.8903 + 34PHE HB2 520 2.506 3.799 2.642 2.8643 -1.9333 0.0995 + 34PHE CG 521 2.513 3.595 2.579 0.5966 -0.1472 -0.1036 + 34PHE CD1 522 2.469 3.501 2.485 0.3324 -0.4616 0.0441 + 34PHE HD1 523 2.422 3.529 2.392 0.4446 -0.0440 0.1116 + 34PHE CE1 524 2.503 3.365 2.504 -0.3278 -1.1576 0.5157 + 34PHE HE1 525 2.463 3.294 2.432 -0.9438 -1.5717 1.2528 + 34PHE CZ 526 2.573 3.320 2.618 -0.3481 -0.0994 0.0517 + 34PHE HZ 527 2.612 3.219 2.626 1.5949 0.3624 -2.1470 + 34PHE CE2 528 2.613 3.415 2.716 0.7579 -0.5051 -1.1175 + 34PHE HE2 529 2.672 3.392 2.804 0.4848 1.6045 -0.3280 + 34PHE CD2 530 2.590 3.553 2.690 0.2721 -0.6410 0.0333 + 34PHE HD2 531 2.626 3.627 2.761 -1.0773 -0.4368 0.5266 + 34PHE C 532 2.519 3.934 2.389 -0.1715 -0.2087 -0.2500 + 34PHE O 533 2.434 3.936 2.304 -0.9010 0.6639 0.0871 + 35GLU N 534 2.578 4.047 2.430 -0.4825 -0.0945 -0.4693 + 35GLU H 535 2.647 4.045 2.503 0.4356 -0.3743 -1.3314 + 35GLU CA 536 2.537 4.180 2.372 -0.0253 -0.0185 -0.3953 + 35GLU HA 537 2.429 4.192 2.362 -0.1573 -0.7400 0.0740 + 35GLU CB 538 2.588 4.291 2.471 -0.3870 1.0723 -0.1812 + 35GLU HB1 539 2.589 4.388 2.420 3.0246 -0.5291 -3.6352 + 35GLU HB2 540 2.691 4.270 2.499 -0.6507 1.5970 1.3072 + 35GLU CG 541 2.504 4.316 2.594 0.2947 -0.5801 0.1646 + 35GLU HG1 542 2.559 4.386 2.656 -1.4521 0.2850 0.8059 + 35GLU HG2 543 2.488 4.227 2.656 -3.2418 -0.6709 -0.6363 + 35GLU CD 544 2.367 4.386 2.563 0.2021 0.0140 -0.0899 + 35GLU OE1 545 2.264 4.354 2.626 0.2311 0.2971 0.1373 + 35GLU OE2 546 2.356 4.479 2.482 -0.1861 -0.0790 0.4998 + 35GLU C 547 2.582 4.207 2.232 0.0363 0.5720 0.6479 + 35GLU O 548 2.500 4.241 2.149 0.4907 -0.0757 0.6952 + 36SER N 549 2.702 4.166 2.199 0.3013 0.1549 -0.9451 + 36SER H 550 2.755 4.119 2.271 1.3011 1.6242 -0.6701 + 36SER CA 551 2.771 4.212 2.074 0.1224 0.8358 0.2988 + 36SER HA 552 2.697 4.263 2.014 -1.1269 1.3633 2.2116 + 36SER CB 553 2.873 4.314 2.111 -0.4364 -0.0261 0.2551 + 36SER HB1 554 2.828 4.387 2.178 -0.1247 0.9058 -0.5245 + 36SER HB2 555 2.917 4.360 2.022 1.5980 0.9152 1.6444 + 36SER OG 556 2.975 4.261 2.191 -0.2814 -0.1192 -0.3823 + 36SER HG 557 3.001 4.326 2.257 1.1418 -1.5901 0.6100 + 36SER C 558 2.842 4.103 1.994 0.6764 0.3376 0.8270 + 36SER O 559 2.871 4.129 1.877 -0.0970 0.2128 -0.2095 + 37ASN N 560 2.856 3.982 2.045 0.4792 0.3168 0.1502 + 37ASN H 561 2.818 3.974 2.139 2.1882 2.1370 1.0716 + 37ASN CA 562 2.918 3.865 1.983 -0.6353 -0.4376 0.0788 + 37ASN HA 563 2.910 3.789 2.061 -2.6824 -1.2275 -0.8352 + 37ASN CB 564 2.821 3.812 1.867 0.0004 -0.1331 -0.1065 + 37ASN HB1 565 2.826 3.882 1.784 -1.3460 0.3644 0.1962 + 37ASN HB2 566 2.719 3.814 1.906 0.5947 1.8190 1.5217 + 37ASN CG 567 2.849 3.668 1.821 0.6355 -0.2536 0.8049 + 37ASN OD1 568 2.882 3.583 1.901 0.0544 0.2419 -0.1596 + 37ASN ND2 569 2.827 3.637 1.696 0.0423 -0.1391 0.3293 + 37ASN HD21 570 2.766 3.692 1.639 0.0568 -3.2540 -3.0263 + 37ASN HD22 571 2.832 3.540 1.670 -0.6972 0.5012 -2.4854 + 37ASN C 572 3.068 3.882 1.956 -0.2015 0.2026 0.4382 + 37ASN O 573 3.119 3.836 1.850 0.0222 0.0716 -0.1291 + 38PHE N 574 3.146 3.958 2.042 0.7571 0.7755 0.1524 + 38PHE H 575 3.096 3.981 2.127 -2.0203 0.8719 -1.3795 + 38PHE CA 576 3.281 4.000 2.024 -0.3056 -0.2668 -0.9659 + 38PHE HA 577 3.312 4.074 2.098 1.6006 -0.2462 -1.7181 + 38PHE CB 578 3.373 3.875 2.030 -0.3478 -0.5885 0.3244 + 38PHE HB1 579 3.478 3.900 2.012 -0.8793 0.6944 -1.1840 + 38PHE HB2 580 3.337 3.814 1.948 -3.3191 0.5099 0.7145 + 38PHE CG 581 3.373 3.788 2.155 0.1079 -0.1882 0.2621 + 38PHE CD1 582 3.349 3.831 2.287 -0.1942 -0.4908 -0.2252 + 38PHE HD1 583 3.338 3.937 2.309 3.1057 -0.3235 1.1824 + 38PHE CE1 584 3.341 3.740 2.396 1.2085 -0.4352 1.1575 + 38PHE HE1 585 3.322 3.771 2.497 -1.5400 2.1503 0.0196 + 38PHE CZ 586 3.374 3.606 2.374 0.3404 -0.3986 0.2058 + 38PHE HZ 587 3.373 3.534 2.454 -1.9693 0.5430 1.1324 + 38PHE CE2 588 3.389 3.562 2.241 0.5927 -0.5807 -0.3183 + 38PHE HE2 589 3.411 3.457 2.226 0.1666 -0.7333 0.1138 + 38PHE CD2 590 3.396 3.651 2.133 -0.4486 -0.6173 0.0313 + 38PHE HD2 591 3.408 3.608 2.035 0.4504 -1.4084 0.4864 + 38PHE C 592 3.316 4.090 1.900 0.5871 -0.5544 -0.3409 + 38PHE O 593 3.431 4.083 1.859 -0.0571 -0.0582 0.1328 + 39ASN N 594 3.220 4.163 1.843 0.0345 0.5042 0.2225 + 39ASN H 595 3.129 4.169 1.887 -1.9945 -3.2499 -2.7697 + 39ASN CA 596 3.235 4.227 1.716 0.1708 -0.8027 0.4847 + 39ASN HA 597 3.325 4.202 1.659 0.5207 1.7397 -0.2301 + 39ASN CB 598 3.115 4.172 1.633 -0.3633 0.1565 -0.0005 + 39ASN HB1 599 3.023 4.171 1.692 0.4455 -0.5148 1.3107 + 39ASN HB2 600 3.142 4.068 1.616 -0.5764 0.4107 -2.0672 + 39ASN CG 601 3.084 4.246 1.509 -0.5215 -0.4723 0.5184 + 39ASN OD1 602 3.160 4.331 1.466 0.2308 0.2271 0.1396 + 39ASN ND2 603 2.970 4.234 1.455 -0.5578 -0.5766 -0.7530 + 39ASN HD21 604 2.913 4.159 1.491 -0.8046 0.5149 1.2525 + 39ASN HD22 605 2.955 4.280 1.366 0.7724 0.3179 -0.5440 + 39ASN C 606 3.228 4.381 1.743 -0.2984 -0.3451 0.7086 + 39ASN O 607 3.128 4.427 1.802 -0.3708 0.3328 -0.0717 + 40THR N 608 3.325 4.457 1.696 0.2676 -0.1686 -0.0881 + 40THR H 609 3.401 4.414 1.644 0.5177 0.0087 0.1298 + 40THR CA 610 3.313 4.605 1.718 0.5551 0.7234 0.2008 + 40THR HA 611 3.268 4.623 1.816 -3.7610 -1.5558 -1.0859 + 40THR CB 612 3.447 4.664 1.706 0.5179 0.3470 0.5669 + 40THR HB 613 3.442 4.771 1.685 -2.2297 0.3008 0.6304 + 40THR CG2 614 3.535 4.639 1.828 -0.3948 -0.3251 -0.8375 + 40THR HG21 615 3.533 4.533 1.856 -1.7083 0.2909 1.7041 + 40THR HG22 616 3.632 4.685 1.809 -0.2925 -0.0786 0.2031 + 40THR HG23 617 3.493 4.681 1.919 -0.9945 0.3853 -1.4262 + 40THR OG1 618 3.507 4.622 1.582 -1.0618 -0.2097 -0.8400 + 40THR HG1 619 3.526 4.693 1.520 0.9421 -0.6313 -0.7750 + 40THR C 620 3.215 4.685 1.623 -0.6949 0.4609 -0.3770 + 40THR O 621 3.175 4.803 1.653 -0.2677 0.4220 0.3621 + 41GLN N 622 3.160 4.618 1.525 0.6275 -0.3535 -0.6144 + 41GLN H 623 3.194 4.524 1.510 2.6212 0.6857 -3.2415 + 41GLN CA 624 3.064 4.675 1.429 0.3565 -0.2501 0.1353 + 41GLN HA 625 3.081 4.783 1.429 3.3652 -0.6134 -1.6697 + 41GLN CB 626 3.097 4.639 1.284 0.0259 -0.1358 0.0614 + 41GLN HB1 627 3.009 4.670 1.228 1.1323 0.1201 -1.5787 + 41GLN HB2 628 3.112 4.531 1.288 -2.4924 -0.5208 3.3292 + 41GLN CG 629 3.229 4.696 1.236 0.2994 -0.1634 -0.2659 + 41GLN HG1 630 3.307 4.662 1.305 -0.7776 1.4486 1.8415 + 41GLN HG2 631 3.210 4.802 1.248 -3.6046 -0.3905 -2.7706 + 41GLN CD 632 3.269 4.661 1.092 0.2526 -0.3311 0.0801 + 41GLN OE1 633 3.230 4.568 1.024 -0.0099 0.2056 -0.2485 + 41GLN NE2 634 3.342 4.748 1.035 -0.0794 -0.2783 0.4067 + 41GLN HE21 635 3.364 4.833 1.084 0.1168 0.0802 -0.2862 + 41GLN HE22 636 3.351 4.745 0.934 1.4456 0.2490 0.5012 + 41GLN C 637 2.914 4.650 1.470 -0.4826 0.4143 0.0994 + 41GLN O 638 2.821 4.700 1.412 0.3467 -0.2913 -0.2320 + 42ALA N 639 2.894 4.569 1.577 0.5314 0.2353 -0.2336 + 42ALA H 640 2.969 4.532 1.634 1.4824 0.4038 -1.3208 + 42ALA CA 641 2.760 4.530 1.614 0.2755 0.0978 0.8238 + 42ALA HA 642 2.715 4.477 1.531 -1.4182 -0.9461 2.3268 + 42ALA CB 643 2.782 4.428 1.730 -0.0023 -0.1464 0.6220 + 42ALA HB1 644 2.848 4.347 1.697 0.1593 -0.1179 0.8727 + 42ALA HB2 645 2.799 4.463 1.832 1.7305 -1.3240 0.7925 + 42ALA HB3 646 2.690 4.372 1.747 0.0166 -1.1871 -2.2277 + 42ALA C 647 2.669 4.651 1.654 0.2893 0.5927 0.1000 + 42ALA O 648 2.711 4.752 1.716 -0.5315 0.1547 -0.3145 + 43THR N 649 2.542 4.636 1.618 -0.1478 -0.8551 -0.0836 + 43THR H 650 2.521 4.552 1.566 0.2453 -1.0058 -0.0010 + 43THR CA 651 2.440 4.730 1.644 0.4533 -0.2907 0.3276 + 43THR HA 652 2.485 4.794 1.719 1.8811 0.1009 -0.8130 + 43THR CB 653 2.426 4.814 1.522 0.2660 -0.4980 1.2681 + 43THR HB 654 2.330 4.865 1.531 1.1318 1.6956 -0.7751 + 43THR CG2 655 2.535 4.916 1.497 -0.2688 0.0248 -0.1319 + 43THR HG21 656 2.628 4.871 1.461 -0.6785 0.1433 -1.3817 + 43THR HG22 657 2.497 4.983 1.420 -1.1111 1.4186 1.4456 + 43THR HG23 658 2.555 4.986 1.578 -1.4700 1.7413 -1.2423 + 43THR OG1 659 2.426 4.726 1.406 0.5035 -0.0693 -0.2538 + 43THR HG1 660 2.377 4.778 1.341 1.1260 1.3637 0.3838 + 43THR C 661 2.313 4.661 1.697 -0.3450 -0.0714 -0.1236 + 43THR O 662 2.279 4.543 1.663 0.0016 -0.3486 0.1602 + 44ASN N 663 2.233 4.735 1.769 -0.4116 -0.0873 -0.4336 + 44ASN H 664 2.261 4.829 1.795 0.6616 -0.7172 0.8677 + 44ASN CA 665 2.105 4.682 1.817 0.5571 -1.0309 0.1889 + 44ASN HA 666 2.065 4.611 1.746 0.3103 -0.5280 -0.1775 + 44ASN CB 667 2.127 4.607 1.952 -0.1637 0.5867 0.1455 + 44ASN HB1 668 2.174 4.679 2.019 -0.0673 -0.1531 0.8866 + 44ASN HB2 669 2.182 4.513 1.946 -0.4962 0.2739 1.5878 + 44ASN CG 670 2.003 4.565 2.025 -0.1732 -0.2896 -0.3368 + 44ASN OD1 671 1.952 4.454 2.014 0.1809 0.1155 0.0843 + 44ASN ND2 672 1.948 4.657 2.102 -0.1358 0.0908 -0.2058 + 44ASN HD21 673 2.010 4.723 2.146 1.5569 -0.8055 -1.1087 + 44ASN HD22 674 1.861 4.628 2.142 1.8291 -0.9029 3.8691 + 44ASN C 675 2.003 4.789 1.827 0.8308 0.0649 -0.4251 + 44ASN O 676 2.023 4.886 1.897 0.1425 0.2987 -0.0691 + 45ARG N 677 1.887 4.783 1.763 1.1761 -0.4795 0.7588 + 45ARG H 678 1.867 4.706 1.700 5.7343 0.9807 -3.0541 + 45ARG CA 679 1.775 4.884 1.782 -0.6232 0.5177 0.2418 + 45ARG HA 680 1.822 4.982 1.790 2.5419 -0.8323 -0.3726 + 45ARG CB 681 1.679 4.875 1.661 0.0234 0.0743 0.2959 + 45ARG HB1 682 1.632 4.777 1.657 -1.5574 0.6988 1.9940 + 45ARG HB2 683 1.728 4.893 1.565 -0.2342 -0.7255 0.0100 + 45ARG CG 684 1.560 4.967 1.653 0.7590 0.7095 -0.1150 + 45ARG HG1 685 1.497 4.937 1.738 1.0743 -2.6307 -0.9153 + 45ARG HG2 686 1.497 4.942 1.568 -1.6795 0.0373 1.7335 + 45ARG CD 687 1.592 5.113 1.651 0.3150 0.4390 -0.1990 + 45ARG HD1 688 1.648 5.141 1.740 0.4092 2.2258 -0.7795 + 45ARG HD2 689 1.500 5.172 1.657 1.2599 2.1609 -1.5895 + 45ARG NE 690 1.674 5.142 1.526 -0.1216 -1.0847 0.0143 + 45ARG HE 691 1.768 5.171 1.546 0.1935 -0.4784 -2.1448 + 45ARG CZ 692 1.623 5.155 1.402 -0.1423 -0.5991 -0.2777 + 45ARG NH1 693 1.497 5.132 1.362 0.2962 -0.2608 0.5047 + 45ARG HH11 694 1.437 5.090 1.431 -1.0818 0.8955 0.0498 + 45ARG HH12 695 1.472 5.156 1.268 -0.9349 -0.7916 0.6774 + 45ARG NH2 696 1.705 5.211 1.316 -0.5981 0.1636 -0.5551 + 45ARG HH21 697 1.798 5.238 1.341 -1.1022 -0.3791 2.1571 + 45ARG HH22 698 1.665 5.238 1.227 0.2802 -1.8267 -1.6202 + 45ARG C 699 1.688 4.849 1.914 -0.3285 0.1640 0.1427 + 45ARG O 700 1.675 4.735 1.954 -0.3493 -0.0269 -0.1011 + 46ASN N 701 1.621 4.955 1.962 -0.5307 -0.0639 -0.6099 + 46ASN H 702 1.637 5.046 1.923 0.2731 0.3201 0.5452 + 46ASN CA 703 1.526 4.951 2.074 -0.1909 -0.4618 0.1215 + 46ASN HA 704 1.501 4.851 2.108 0.1120 -1.4227 -2.2452 + 46ASN CB 705 1.588 5.039 2.181 0.4814 0.4463 -0.3947 + 46ASN HB1 706 1.520 5.048 2.265 0.6651 -0.1319 -0.1840 + 46ASN HB2 707 1.604 5.134 2.128 0.6813 0.2198 -0.7499 + 46ASN CG 708 1.715 4.976 2.239 -0.6381 -0.0919 -0.1026 + 46ASN OD1 709 1.707 4.891 2.330 0.2905 0.1278 -0.1630 + 46ASN ND2 710 1.826 5.031 2.186 0.3310 0.1402 0.1428 + 46ASN HD21 711 1.807 5.077 2.098 0.1304 0.1785 0.2065 + 46ASN HD22 712 1.919 4.998 2.207 -0.0309 -1.4038 -0.5265 + 46ASN C 713 1.389 5.002 2.038 0.2064 -0.1521 0.1699 + 46ASN O 714 1.384 5.082 1.944 0.3219 1.0646 -0.3233 + 47THR N 715 1.282 4.959 2.113 0.0912 -0.0977 -0.0123 + 47THR H 716 1.306 4.892 2.185 1.5731 -0.3663 -0.7138 + 47THR CA 717 1.140 5.004 2.107 -0.5948 -0.0617 1.0378 + 47THR HA 718 1.093 4.963 2.017 -0.7709 -0.7373 1.4370 + 47THR CB 719 1.056 4.951 2.226 -0.1235 0.0858 0.6761 + 47THR HB 720 1.104 4.997 2.312 0.1911 1.3103 -0.1331 + 47THR CG2 721 0.907 4.981 2.213 -0.8503 0.0030 -0.0439 + 47THR HG21 722 0.886 5.088 2.210 -0.1651 0.1451 0.1722 + 47THR HG22 723 0.867 4.942 2.119 -1.0972 -2.3363 0.9786 + 47THR HG23 724 0.851 4.948 2.300 -0.6453 -1.1078 -0.3172 + 47THR OG1 725 1.058 4.811 2.240 -0.3326 -0.2206 -0.1067 + 47THR HG1 726 1.042 4.794 2.333 2.5511 -0.2431 0.4793 + 47THR C 727 1.122 5.152 2.089 -0.2413 0.2803 0.1425 + 47THR O 728 1.029 5.196 2.024 0.5020 0.1194 0.0061 + 48ASP N 729 1.199 5.241 2.152 -0.0929 0.0168 -0.6949 + 48ASP H 730 1.273 5.206 2.212 -0.1764 -0.5824 -0.9316 + 48ASP CA 731 1.196 5.389 2.151 0.4273 0.2860 1.1688 + 48ASP HA 732 1.093 5.424 2.142 0.5205 0.5049 0.9362 + 48ASP CB 733 1.271 5.440 2.275 -0.4378 -0.5142 -0.4815 + 48ASP HB1 734 1.217 5.400 2.361 -1.2671 2.2742 0.4285 + 48ASP HB2 735 1.250 5.547 2.283 -0.2023 -0.3271 -2.0180 + 48ASP CG 736 1.419 5.415 2.275 0.0806 0.0916 -0.0010 + 48ASP OD1 737 1.492 5.497 2.214 0.0743 0.0585 -0.5242 + 48ASP OD2 738 1.451 5.307 2.330 -0.0242 0.4885 0.1389 + 48ASP C 739 1.249 5.459 2.025 0.0152 -0.2056 0.5433 + 48ASP O 740 1.226 5.577 1.989 0.4153 -0.2840 -0.0984 + 49GLY N 741 1.328 5.373 1.956 0.0792 -0.0040 0.1473 + 49GLY H 742 1.357 5.281 1.987 0.0156 -2.0507 -4.9102 + 49GLY CA 743 1.394 5.405 1.829 -0.1458 0.2797 0.4247 + 49GLY HA1 744 1.342 5.493 1.791 0.4977 -0.2723 -1.9119 + 49GLY HA2 745 1.375 5.321 1.762 0.5913 -0.4926 1.1651 + 49GLY C 746 1.545 5.432 1.834 0.9268 -0.0554 0.1639 + 49GLY O 747 1.603 5.432 1.728 0.4425 -0.3490 0.0352 + 50SER N 748 1.612 5.449 1.952 -0.4019 0.3943 0.0153 + 50SER H 749 1.561 5.439 2.039 -0.8463 0.6224 -0.2164 + 50SER CA 750 1.755 5.451 1.950 -0.0408 -0.8162 -0.3666 + 50SER HA 751 1.784 5.519 1.870 -3.2939 0.8613 -0.2798 + 50SER CB 752 1.799 5.516 2.080 0.7583 0.1331 -0.0951 + 50SER HB1 753 1.755 5.615 2.075 -0.8159 -0.5955 -2.1760 + 50SER HB2 754 1.908 5.518 2.090 0.8398 0.2692 -0.9473 + 50SER OG 755 1.743 5.452 2.193 0.2932 -0.2425 0.1184 + 50SER HG 756 1.648 5.455 2.202 0.0621 -2.2441 -1.0252 + 50SER C 757 1.822 5.318 1.929 0.1959 0.2011 0.2161 + 50SER O 758 1.764 5.213 1.960 -0.2579 -0.3148 -0.1429 + 51THR N 759 1.943 5.326 1.868 0.1394 -0.5950 -0.6084 + 51THR H 760 1.980 5.420 1.859 0.6586 -0.6173 1.0675 + 51THR CA 761 2.034 5.223 1.839 -0.2330 0.5065 0.0101 + 51THR HA 762 1.985 5.128 1.860 1.8719 -0.2415 2.0411 + 51THR CB 763 2.077 5.224 1.690 -0.3640 0.4792 0.0472 + 51THR HB 764 2.139 5.311 1.667 -0.3050 0.3613 -0.2513 + 51THR CG2 765 2.144 5.091 1.652 0.6336 -0.0576 -0.6639 + 51THR HG21 766 2.227 5.074 1.721 2.2231 2.0599 -1.9293 + 51THR HG22 767 2.080 5.004 1.656 -0.0649 0.3174 -2.7848 + 51THR HG23 768 2.179 5.100 1.550 0.4775 -3.0186 -1.0535 + 51THR OG1 769 1.960 5.233 1.613 -0.2646 -0.1485 -0.1732 + 51THR HG1 770 1.936 5.324 1.631 -0.4364 0.1482 -1.8344 + 51THR C 771 2.154 5.221 1.937 0.0449 1.2622 0.2656 + 51THR O 772 2.212 5.321 1.972 0.0358 -0.6033 0.1836 + 52ASP N 773 2.195 5.100 1.976 -0.4360 1.1651 -0.2058 + 52ASP H 774 2.147 5.016 1.946 1.2607 0.6826 -1.8150 + 52ASP CA 775 2.321 5.072 2.054 1.1364 -0.5354 0.1298 + 52ASP HA 776 2.346 5.165 2.105 -1.9497 1.4724 -1.6730 + 52ASP CB 777 2.300 4.965 2.154 0.2518 0.2011 0.2448 + 52ASP HB1 778 2.381 4.966 2.227 -0.2806 -0.7247 0.8795 + 52ASP HB2 779 2.294 4.871 2.099 1.0646 0.0284 0.4356 + 52ASP CG 780 2.166 4.976 2.228 -0.0120 -0.6500 -0.0822 + 52ASP OD1 781 2.124 5.090 2.267 0.3242 0.6335 0.0911 + 52ASP OD2 782 2.100 4.876 2.259 0.4327 0.0464 0.1847 + 52ASP C 783 2.439 5.042 1.961 -0.1935 0.0911 0.2969 + 52ASP O 784 2.423 4.968 1.864 -0.0319 0.4180 0.6221 + 53TYR N 785 2.557 5.099 1.981 -0.3998 -0.1941 -0.4740 + 53TYR H 786 2.566 5.156 2.064 0.4613 -0.9199 -0.0491 + 53TYR CA 787 2.679 5.086 1.891 -0.4902 0.0542 0.2313 + 53TYR HA 788 2.665 5.015 1.809 1.1563 -0.7102 0.5604 + 53TYR CB 789 2.706 5.216 1.822 0.2161 -0.1715 0.0935 + 53TYR HB1 790 2.794 5.207 1.758 2.5533 2.1564 2.6916 + 53TYR HB2 791 2.733 5.288 1.898 -0.9338 -2.6252 3.0486 + 53TYR CG 792 2.593 5.267 1.732 -0.3157 1.1337 0.3769 + 53TYR CD1 793 2.596 5.247 1.593 -0.9465 0.2781 0.4037 + 53TYR HD1 794 2.667 5.189 1.536 2.1682 3.3164 0.8882 + 53TYR CE1 795 2.493 5.308 1.512 -0.4274 -0.0676 -0.7611 + 53TYR HE1 796 2.481 5.299 1.405 1.1433 -0.5183 -0.9276 + 53TYR CZ 797 2.392 5.382 1.582 -0.2529 -0.9504 0.3040 + 53TYR OH 798 2.308 5.456 1.510 0.2665 0.2335 -0.2000 + 53TYR HH 799 2.250 5.514 1.560 -2.0650 -1.5656 -0.6047 + 53TYR CE2 800 2.389 5.386 1.720 -0.0657 0.5271 -0.3366 + 53TYR HE2 801 2.301 5.432 1.763 -1.4449 -3.1263 1.1496 + 53TYR CD2 802 2.490 5.328 1.793 -0.5719 0.0350 -0.0459 + 53TYR HD2 803 2.484 5.333 1.901 2.4371 0.4232 0.2058 + 53TYR C 804 2.813 5.029 1.956 0.1067 0.1884 0.0139 + 53TYR O 805 2.846 5.072 2.065 0.2645 0.6106 0.3344 + 54GLY N 806 2.875 4.936 1.897 0.1144 -0.3385 0.0541 + 54GLY H 807 2.828 4.882 1.826 1.6260 0.5962 -1.7134 + 54GLY CA 808 3.006 4.895 1.942 -0.4824 0.3376 0.5923 + 54GLY HA1 809 3.049 4.964 2.015 4.2655 0.3996 -1.8931 + 54GLY HA2 810 3.069 4.902 1.854 -0.7826 4.2946 0.5513 + 54GLY C 811 3.016 4.757 2.001 0.0373 0.1464 -0.2126 + 54GLY O 812 2.914 4.700 2.040 -0.1817 -0.1712 0.2799 + 55ILE N 813 3.136 4.709 2.034 0.1769 -0.4314 0.1323 + 55ILE H 814 3.220 4.759 2.009 -0.3478 0.3287 -0.1447 + 55ILE CA 815 3.151 4.589 2.126 0.1776 0.0707 0.2532 + 55ILE HA 816 3.098 4.511 2.072 0.2748 1.4298 -1.9566 + 55ILE CB 817 3.299 4.543 2.120 0.8871 0.4479 0.4369 + 55ILE HB 818 3.341 4.573 2.024 -0.1547 -3.5808 -1.5144 + 55ILE CG2 819 3.387 4.588 2.237 -0.3121 0.4225 -0.1864 + 55ILE HG21 820 3.491 4.555 2.230 -0.6210 -0.4097 -1.0427 + 55ILE HG22 821 3.387 4.697 2.246 1.0677 0.5192 -1.0302 + 55ILE HG23 822 3.347 4.548 2.330 1.3222 0.7149 0.6832 + 55ILE CG1 823 3.308 4.392 2.107 0.9681 0.2551 -0.8357 + 55ILE HG11 824 3.237 4.363 2.030 0.4566 0.0868 -0.3075 + 55ILE HG12 825 3.269 4.345 2.197 -1.1475 1.4108 -1.0662 + 55ILE CD 826 3.448 4.331 2.078 -0.3861 -0.0794 -0.0574 + 55ILE HD1 827 3.526 4.374 2.141 0.3511 -1.7648 0.2358 + 55ILE HD2 828 3.455 4.225 2.103 -0.9043 0.1245 0.9572 + 55ILE HD3 829 3.475 4.334 1.972 0.7768 0.9959 0.2397 + 55ILE C 830 3.087 4.594 2.268 0.3046 0.5656 -0.2128 + 55ILE O 831 3.063 4.487 2.340 -0.1179 0.1389 0.1387 + 56LEU N 832 3.055 4.717 2.315 -0.0886 -0.6910 -0.7493 + 56LEU H 833 3.091 4.796 2.264 0.3461 -0.0328 0.5088 + 56LEU CA 834 3.005 4.757 2.455 -0.5246 0.6695 -0.0428 + 56LEU HA 835 3.004 4.659 2.504 -1.5912 -0.2106 -1.7281 + 56LEU CB 836 3.105 4.850 2.519 1.0557 0.9596 -0.3698 + 56LEU HB1 837 3.058 4.883 2.612 -1.0799 -3.6260 0.4618 + 56LEU HB2 838 3.130 4.931 2.451 0.2887 -0.3040 -2.2533 + 56LEU CG 839 3.226 4.764 2.562 -0.7009 -0.0199 -0.0120 + 56LEU HG 840 3.244 4.674 2.503 3.5123 0.5732 0.0420 + 56LEU CD1 841 3.352 4.854 2.552 0.0905 0.3349 -0.3268 + 56LEU HD11 842 3.442 4.795 2.573 -0.9157 -1.7355 -1.5012 + 56LEU HD12 843 3.361 4.886 2.449 1.9422 -0.2438 -0.3840 + 56LEU HD13 844 3.331 4.939 2.617 -0.4350 0.1928 -0.3113 + 56LEU CD2 845 3.215 4.699 2.703 -0.0269 0.0177 0.3187 + 56LEU HD21 846 3.123 4.642 2.694 -0.2887 0.6443 -1.5032 + 56LEU HD22 847 3.303 4.638 2.725 0.2682 0.0289 -0.7842 + 56LEU HD23 848 3.201 4.769 2.785 -1.2525 0.9620 -0.6446 + 56LEU C 849 2.857 4.807 2.457 -0.7278 0.3654 -0.0663 + 56LEU O 850 2.810 4.848 2.559 -0.0082 -0.4178 0.3611 + 57GLN N 851 2.787 4.799 2.340 -0.2087 0.3960 -0.3798 + 57GLN H 852 2.842 4.768 2.261 1.9553 0.5545 0.9887 + 57GLN CA 853 2.648 4.840 2.306 0.2684 0.4446 -0.6585 + 57GLN HA 854 2.650 4.870 2.201 0.8240 2.9776 -0.0014 + 57GLN CB 855 2.546 4.718 2.329 0.2752 0.0622 -0.1786 + 57GLN HB1 856 2.443 4.745 2.305 -0.0784 0.8919 2.0342 + 57GLN HB2 857 2.547 4.693 2.435 0.3579 3.2450 0.6922 + 57GLN CG 858 2.579 4.600 2.237 -0.5678 -0.2403 -0.5152 + 57GLN HG1 859 2.523 4.516 2.278 0.4358 0.1709 1.8688 + 57GLN HG2 860 2.683 4.571 2.250 -0.4289 0.2552 -0.4898 + 57GLN CD 861 2.539 4.626 2.090 -0.2266 -0.9041 -0.7184 + 57GLN OE1 862 2.432 4.600 2.047 -0.7718 -0.4584 0.0514 + 57GLN NE2 863 2.628 4.683 2.014 -0.3504 -0.8004 -0.5807 + 57GLN HE21 864 2.719 4.712 2.048 -0.5815 -1.8215 1.0031 + 57GLN HE22 865 2.607 4.714 1.920 0.6624 -0.4846 -0.7219 + 57GLN C 866 2.598 4.971 2.381 0.0843 0.1719 -0.0743 + 57GLN O 867 2.530 4.969 2.483 0.5986 0.0817 -0.1330 + 58ILE N 868 2.642 5.081 2.324 -0.0037 -0.4167 -0.1198 + 58ILE H 869 2.700 5.075 2.242 -0.1592 0.4545 -0.2990 + 58ILE CA 870 2.633 5.214 2.385 -0.2349 0.4695 -0.1625 + 58ILE HA 871 2.600 5.190 2.486 -0.8599 -0.9902 -0.6779 + 58ILE CB 872 2.775 5.276 2.388 0.1659 0.0451 0.1522 + 58ILE HB 873 2.808 5.280 2.285 -0.5200 2.3699 -0.0331 + 58ILE CG2 874 2.766 5.422 2.437 -0.8377 0.0159 0.3883 + 58ILE HG21 875 2.865 5.468 2.432 0.2168 -2.0916 0.5313 + 58ILE HG22 876 2.699 5.478 2.372 0.3568 0.6197 -0.3701 + 58ILE HG23 877 2.732 5.428 2.541 1.0989 -0.5224 1.0994 + 58ILE CG1 878 2.871 5.187 2.472 0.4099 -0.5475 -0.0530 + 58ILE HG11 879 2.882 5.092 2.419 3.0497 0.0967 -0.8171 + 58ILE HG12 880 2.819 5.163 2.565 1.7104 -0.4337 0.7446 + 58ILE CD 881 3.008 5.240 2.503 -0.3608 -1.0449 0.3283 + 58ILE HD1 882 3.063 5.242 2.409 -0.3500 -1.2920 0.3287 + 58ILE HD2 883 3.001 5.342 2.541 0.4335 -0.1110 -1.8487 + 58ILE HD3 884 3.071 5.188 2.575 2.2310 2.7438 1.0734 + 58ILE C 885 2.530 5.296 2.311 0.1168 0.0346 0.0816 + 58ILE O 886 2.528 5.300 2.191 0.4703 0.5250 0.2729 + 59ASN N 887 2.422 5.338 2.377 0.4193 0.5330 -0.3288 + 59ASN H 888 2.421 5.310 2.474 -2.6295 -0.2397 -0.4877 + 59ASN CA 889 2.294 5.380 2.321 -0.3944 -0.2824 0.0951 + 59ASN HA 890 2.271 5.314 2.237 -1.2434 -0.2952 0.3279 + 59ASN CB 891 2.185 5.354 2.425 0.6609 0.0426 -0.4557 + 59ASN HB1 892 2.218 5.402 2.517 -0.3028 -0.5888 0.2440 + 59ASN HB2 893 2.187 5.247 2.449 0.3281 0.1927 0.2496 + 59ASN CG 894 2.053 5.410 2.376 -0.4901 -0.2987 0.3216 + 59ASN OD1 895 2.025 5.528 2.393 0.7379 0.0716 0.1474 + 59ASN ND2 896 1.974 5.332 2.315 0.2283 1.0636 -0.0992 + 59ASN HD21 897 2.005 5.236 2.305 -1.5738 0.6115 -2.2268 + 59ASN HD22 898 1.887 5.372 2.281 0.3142 1.8464 0.5616 + 59ASN C 899 2.301 5.530 2.277 -0.6311 0.0265 -0.6497 + 59ASN O 900 2.347 5.617 2.352 -0.0837 0.8519 0.5868 + 60SER N 901 2.247 5.558 2.160 -0.3225 -0.3882 -0.8904 + 60SER H 902 2.211 5.481 2.107 -2.1078 0.0204 -0.3425 + 60SER CA 903 2.266 5.695 2.097 -0.2084 -0.5821 0.2978 + 60SER HA 904 2.368 5.727 2.116 0.0564 -1.4347 0.3542 + 60SER CB 905 2.261 5.692 1.946 -0.1194 0.3917 -0.3749 + 60SER HB1 906 2.347 5.633 1.915 -0.0981 0.4487 -0.4247 + 60SER HB2 907 2.262 5.788 1.893 -0.2920 0.2068 -0.7142 + 60SER OG 908 2.146 5.615 1.904 -0.2160 0.3591 0.3327 + 60SER HG 909 2.151 5.625 1.809 2.2351 -0.5825 0.2849 + 60SER C 910 2.160 5.795 2.149 0.3910 1.2254 0.1704 + 60SER O 911 2.163 5.910 2.101 -0.1873 -0.4956 0.2546 + 61ARG N 912 2.057 5.755 2.231 0.5899 -0.6043 -0.4291 + 61ARG H 913 2.058 5.659 2.264 -0.9905 0.2857 2.5662 + 61ARG CA 914 1.966 5.854 2.298 -0.2078 0.4364 0.4628 + 61ARG HA 915 1.962 5.944 2.235 1.4238 -0.8206 -1.5453 + 61ARG CB 916 1.822 5.797 2.308 0.1571 0.1636 0.2419 + 61ARG HB1 917 1.822 5.710 2.374 -0.6137 -0.2368 -0.2654 + 61ARG HB2 918 1.800 5.771 2.205 1.0047 1.5701 -0.3174 + 61ARG CG 919 1.713 5.888 2.358 0.4975 0.2678 0.0515 + 61ARG HG1 920 1.735 5.991 2.330 0.1579 0.9113 1.9576 + 61ARG HG2 921 1.723 5.890 2.467 0.6207 -1.8391 0.1137 + 61ARG CD 922 1.569 5.852 2.313 0.1570 0.2036 -0.3676 + 61ARG HD1 923 1.493 5.889 2.381 -0.0452 -1.5021 0.3930 + 61ARG HD2 924 1.561 5.744 2.299 -0.0655 0.2522 -0.6203 + 61ARG NE 925 1.545 5.920 2.189 -0.6382 -0.0302 0.0692 + 61ARG HE 926 1.571 6.017 2.190 0.6896 -0.2956 3.0670 + 61ARG CZ 927 1.477 5.877 2.084 -0.8905 -0.5248 0.8009 + 61ARG NH1 928 1.429 5.755 2.076 0.4604 -0.1973 -0.3437 + 61ARG HH11 929 1.470 5.684 2.135 -1.1176 -2.1217 -1.4183 + 61ARG HH12 930 1.366 5.727 2.002 -0.1154 -1.2620 0.5182 + 61ARG NH2 931 1.458 5.963 1.991 0.1783 -0.1611 -0.6416 + 61ARG HH21 932 1.489 6.059 1.999 -0.3404 0.0776 -1.3278 + 61ARG HH22 933 1.401 5.933 1.913 0.2875 -2.8374 0.2017 + 61ARG C 934 2.021 5.897 2.434 -0.2609 0.7069 -0.8575 + 61ARG O 935 1.989 6.003 2.482 -0.1375 -0.1257 0.2895 + 62TRP N 936 2.111 5.812 2.498 0.5884 -0.0658 -0.1119 + 62TRP H 937 2.132 5.725 2.451 0.3419 -0.6974 0.9070 + 62TRP CA 938 2.151 5.832 2.636 -0.0848 -0.2003 -0.7844 + 62TRP HA 939 2.109 5.927 2.669 -2.3827 0.0373 -3.9084 + 62TRP CB 940 2.115 5.711 2.728 0.2555 0.3087 -0.2007 + 62TRP HB1 941 2.175 5.724 2.818 0.8495 -0.0298 -0.5506 + 62TRP HB2 942 2.152 5.623 2.677 -1.6823 -1.6363 1.5303 + 62TRP CG 943 1.967 5.689 2.758 -0.3939 0.3975 0.0934 + 62TRP CD1 944 1.888 5.585 2.711 -0.1024 -0.7085 -0.2462 + 62TRP HD1 945 1.926 5.518 2.635 2.0158 0.9989 -0.7720 + 62TRP NE1 946 1.756 5.608 2.747 -0.0730 0.1809 -0.1639 + 62TRP HE1 947 1.676 5.563 2.705 0.5162 0.0674 -1.1851 + 62TRP CE2 948 1.749 5.728 2.819 0.2906 0.8488 -0.4347 + 62TRP CZ2 949 1.636 5.797 2.882 0.3805 -0.2423 0.1014 + 62TRP HZ2 950 1.538 5.753 2.871 0.4372 -0.1660 -0.8608 + 62TRP CH2 951 1.659 5.905 2.967 -0.0628 0.0412 0.2702 + 62TRP HH2 952 1.580 5.964 3.012 -0.2991 -0.4883 0.5585 + 62TRP CZ3 953 1.791 5.952 2.993 -0.0916 -0.4964 0.1158 + 62TRP HZ3 954 1.812 6.036 3.056 -1.0018 -1.6037 1.9790 + 62TRP CE3 955 1.896 5.884 2.926 0.4394 0.1966 -0.0445 + 62TRP HE3 956 1.997 5.915 2.951 1.0561 -2.4308 1.0763 + 62TRP CD2 957 1.879 5.776 2.836 0.0217 -0.8118 -0.1770 + 62TRP C 958 2.296 5.864 2.649 -0.1059 -0.3779 0.0939 + 62TRP O 959 2.332 5.958 2.712 0.1555 -0.6154 0.6293 + 63TRP N 960 2.384 5.788 2.585 -0.0929 0.1281 -0.3036 + 63TRP H 961 2.347 5.717 2.523 0.1295 -1.0649 0.8966 + 63TRP CA 962 2.530 5.794 2.610 -0.1816 0.3204 -0.0703 + 63TRP HA 963 2.555 5.846 2.703 -0.2589 -1.7884 1.2014 + 63TRP CB 964 2.582 5.653 2.642 0.7520 0.2549 0.5500 + 63TRP HB1 965 2.688 5.673 2.660 0.7079 -0.8760 2.3622 + 63TRP HB2 966 2.564 5.602 2.548 2.9740 1.1469 -0.4148 + 63TRP CG 967 2.513 5.596 2.760 0.5420 -0.3648 -0.3390 + 63TRP CD1 968 2.426 5.494 2.752 -0.3446 -0.5593 0.0080 + 63TRP HD1 969 2.396 5.452 2.657 -0.0792 0.9440 -0.7665 + 63TRP NE1 970 2.369 5.477 2.877 -0.0885 0.1757 0.2085 + 63TRP HE1 971 2.291 5.414 2.887 0.4588 -0.8836 -1.6572 + 63TRP CE2 972 2.422 5.567 2.966 -0.2777 -0.4692 0.2111 + 63TRP CZ2 973 2.379 5.607 3.095 -0.5783 0.0196 0.0535 + 63TRP HZ2 974 2.297 5.564 3.149 0.1448 -0.3777 0.8643 + 63TRP CH2 975 2.451 5.708 3.164 -0.2450 -0.0713 -0.8114 + 63TRP HH2 976 2.416 5.733 3.263 -2.1751 -1.5008 -1.0807 + 63TRP CZ3 977 2.562 5.770 3.101 -0.1508 -0.8040 -0.1938 + 63TRP HZ3 978 2.625 5.841 3.153 0.1325 0.7770 -2.5748 + 63TRP CE3 979 2.598 5.737 2.968 -0.1195 -0.7174 0.0727 + 63TRP HE3 980 2.679 5.784 2.914 -0.7922 -0.9534 -1.1888 + 63TRP CD2 981 2.516 5.641 2.899 -0.1229 0.3727 -0.0300 + 63TRP C 982 2.614 5.855 2.497 0.1272 0.7153 0.5184 + 63TRP O 983 2.701 5.928 2.523 0.1361 -0.0786 -0.2869 + 64CYS N 984 2.586 5.828 2.368 0.4561 0.3112 -0.6815 + 64CYS H 985 2.500 5.778 2.349 -0.1348 1.6923 -1.8275 + 64CYS CA 986 2.645 5.899 2.258 -1.0542 0.2263 -0.5970 + 64CYS HA 987 2.714 5.980 2.281 -0.1288 -0.2539 -1.6131 + 64CYS CB 988 2.724 5.789 2.179 0.3249 -1.0507 -0.4365 + 64CYS HB1 989 2.813 5.767 2.238 1.7211 1.1194 -1.5932 + 64CYS HB2 990 2.775 5.843 2.098 0.2079 0.4093 0.4186 + 64CYS SG 991 2.655 5.647 2.110 -0.3672 0.1526 -0.1898 + 64CYS C 992 2.544 5.973 2.165 0.2113 -0.2329 0.6059 + 64CYS O 993 2.426 5.971 2.188 0.3527 0.6866 -0.0127 + 65ASN N 994 2.595 6.039 2.062 -0.4198 0.2916 -0.5097 + 65ASN H 995 2.692 6.062 2.075 -0.8332 0.7348 2.8256 + 65ASN CA 996 2.524 6.100 1.946 -0.4014 0.1892 0.1394 + 65ASN HA 997 2.416 6.108 1.960 -0.3158 0.7587 0.5255 + 65ASN CB 998 2.576 6.246 1.932 0.5825 -0.1758 -0.2658 + 65ASN HB1 999 2.663 6.261 1.868 0.4328 -1.7981 -0.9000 + 65ASN HB2 1000 2.612 6.288 2.026 1.4098 0.9259 -1.0500 + 65ASN CG 1001 2.469 6.346 1.877 0.2254 -0.4861 1.3881 + 65ASN OD1 1002 2.434 6.344 1.756 1.3738 -0.0767 0.5367 + 65ASN ND2 1003 2.424 6.443 1.945 -0.2048 -1.2612 -0.2558 + 65ASN HD21 1004 2.466 6.465 2.034 0.5362 -0.5577 -0.7666 + 65ASN HD22 1005 2.362 6.506 1.896 -0.4497 1.2128 2.8753 + 65ASN C 1006 2.542 6.024 1.814 -0.8987 -0.7925 0.1578 + 65ASN O 1007 2.660 5.994 1.789 0.2337 0.5805 -0.4269 + 66ASP N 1008 2.440 5.993 1.740 0.5637 -0.2981 -0.2810 + 66ASP H 1009 2.353 6.042 1.752 1.2128 1.7818 -3.2098 + 66ASP CA 1010 2.447 5.918 1.612 0.4759 -0.0688 -0.3650 + 66ASP HA 1011 2.555 5.921 1.597 0.7241 -0.1689 1.2374 + 66ASP CB 1012 2.380 5.781 1.622 -0.8481 0.1040 0.0489 + 66ASP HB1 1013 2.426 5.724 1.703 -0.3158 0.0603 -0.2811 + 66ASP HB2 1014 2.402 5.723 1.532 -1.7874 0.9753 -0.7751 + 66ASP CG 1015 2.226 5.771 1.636 0.0389 -0.3600 0.5157 + 66ASP OD1 1016 2.158 5.872 1.652 -0.0040 0.5111 -0.2911 + 66ASP OD2 1017 2.165 5.661 1.641 0.8577 0.1178 -0.0779 + 66ASP C 1018 2.383 5.997 1.496 0.0553 -0.3904 -0.8233 + 66ASP O 1019 2.364 5.948 1.387 -0.2026 0.0499 0.0962 + 67GLY N 1020 2.352 6.128 1.525 0.5462 -0.0778 -0.0603 + 67GLY H 1021 2.363 6.156 1.622 0.9164 -1.5957 0.3635 + 67GLY CA 1022 2.281 6.225 1.441 -1.0251 0.6359 -1.2227 + 67GLY HA1 1023 2.343 6.261 1.359 0.3547 0.4849 -0.2941 + 67GLY HA2 1024 2.271 6.311 1.506 0.2859 0.3267 -0.5775 + 67GLY C 1025 2.148 6.191 1.378 0.3793 -0.6670 0.3640 + 67GLY O 1026 2.067 6.277 1.353 0.4298 -0.2196 0.3780 + 68ARG N 1027 2.115 6.061 1.376 -0.1585 0.2706 0.6030 + 68ARG H 1028 2.188 5.998 1.404 0.1861 -0.1767 -1.1875 + 68ARG CA 1029 1.984 6.010 1.321 -0.2982 -0.2322 0.8460 + 68ARG HA 1030 1.957 6.081 1.242 -1.3342 -0.9826 0.5052 + 68ARG CB 1031 1.997 5.873 1.248 -0.0168 -0.8890 -0.0857 + 68ARG HB1 1032 2.093 5.872 1.197 -0.0695 1.3515 -0.3500 + 68ARG HB2 1033 1.915 5.858 1.178 0.7723 -1.0235 -1.0015 + 68ARG CG 1034 1.996 5.753 1.342 -0.0505 0.0964 -0.1813 + 68ARG HG1 1035 1.912 5.744 1.411 -0.7010 -0.0774 -0.9824 + 68ARG HG2 1036 2.087 5.760 1.402 -0.6977 0.3603 0.8057 + 68ARG CD 1037 1.996 5.618 1.259 0.3092 -0.0996 0.4253 + 68ARG HD1 1038 2.028 5.533 1.319 -1.1341 0.3448 1.9201 + 68ARG HD2 1039 2.063 5.626 1.174 -1.1644 -2.8874 -1.1318 + 68ARG NE 1040 1.863 5.591 1.209 0.3197 -0.1565 -0.3788 + 68ARG HE 1041 1.790 5.654 1.239 1.0254 1.0118 -1.0703 + 68ARG CZ 1042 1.819 5.489 1.139 0.1229 0.5410 0.2746 + 68ARG NH1 1043 1.886 5.391 1.094 -0.3331 0.5001 0.4212 + 68ARG HH11 1044 1.986 5.403 1.090 -0.3657 0.3486 -1.7715 + 68ARG HH12 1045 1.843 5.325 1.031 0.9781 -1.2351 1.2509 + 68ARG NH2 1046 1.690 5.492 1.126 -0.5632 -0.4285 -0.3593 + 68ARG HH21 1047 1.640 5.572 1.163 1.0979 0.4779 0.0337 + 68ARG HH22 1048 1.650 5.414 1.077 1.5083 -0.9323 -1.3924 + 68ARG C 1049 1.874 6.000 1.430 -0.2133 0.2308 -0.1230 + 68ARG O 1050 1.758 5.997 1.399 -0.0899 0.2872 0.2784 + 69THR N 1051 1.903 5.996 1.564 -0.3647 0.3916 -0.0846 + 69THR H 1052 2.002 6.000 1.585 -0.5333 0.1777 0.7533 + 69THR CA 1053 1.812 5.982 1.675 -0.4423 0.0240 0.2142 + 69THR HA 1054 1.724 5.939 1.628 0.0585 -0.0309 -0.7117 + 69THR CB 1055 1.857 5.882 1.785 -0.3374 0.2315 0.3809 + 69THR HB 1056 1.938 5.928 1.842 0.1274 1.2024 -1.0189 + 69THR CG2 1057 1.731 5.844 1.872 -0.7185 -0.5754 -0.1132 + 69THR HG21 1058 1.647 5.834 1.802 -0.2405 0.7755 -0.9199 + 69THR HG22 1059 1.755 5.747 1.916 0.0630 -0.3801 -0.0905 + 69THR HG23 1060 1.719 5.923 1.946 -2.0098 1.4683 -2.3726 + 69THR OG1 1061 1.910 5.765 1.726 -0.1709 -0.2470 0.6753 + 69THR HG1 1062 2.002 5.782 1.704 -0.2150 -0.1797 0.5348 + 69THR C 1063 1.775 6.127 1.731 -0.6235 0.2620 0.9929 + 69THR O 1064 1.877 6.190 1.764 -0.1042 0.4622 -0.5019 + 70PRO N 1065 1.648 6.175 1.745 0.7689 -0.0028 0.2647 + 70PRO CD 1066 1.536 6.136 1.662 0.3418 0.4454 -0.0128 + 70PRO HD1 1067 1.492 6.044 1.701 2.8110 -1.4933 -1.5186 + 70PRO HD2 1068 1.571 6.104 1.564 1.7901 1.6494 0.0717 + 70PRO CG 1069 1.440 6.252 1.653 0.5066 -0.4820 -0.6825 + 70PRO HG1 1070 1.336 6.220 1.649 0.4196 -0.2489 -0.2939 + 70PRO HG2 1071 1.467 6.315 1.568 0.0577 0.6224 -0.0264 + 70PRO CB 1072 1.474 6.328 1.779 0.4049 0.7887 -0.3283 + 70PRO HB1 1073 1.410 6.286 1.856 -0.0302 0.7909 -0.6822 + 70PRO HB2 1074 1.456 6.435 1.769 0.1001 0.8595 0.8173 + 70PRO CA 1075 1.622 6.296 1.809 -0.0846 0.0453 -0.5381 + 70PRO HA 1076 1.677 6.371 1.753 -0.0080 -0.0088 -0.5351 + 70PRO C 1077 1.656 6.299 1.962 0.3431 -0.3169 -0.0189 + 70PRO O 1078 1.653 6.189 2.022 -0.2411 0.8716 -0.0666 + 71GLY N 1079 1.681 6.417 2.022 0.0055 0.5053 0.8915 + 71GLY H 1080 1.686 6.505 1.971 0.6039 0.3616 0.6846 + 71GLY CA 1081 1.673 6.426 2.168 -0.4226 0.1513 -0.5737 + 71GLY HA1 1082 1.575 6.408 2.213 0.5248 0.4605 1.7957 + 71GLY HA2 1083 1.683 6.532 2.193 0.8876 -0.4093 1.5886 + 71GLY C 1084 1.770 6.348 2.249 0.0883 -0.3873 -0.4333 + 71GLY O 1085 1.744 6.314 2.362 0.6671 0.2319 -0.7091 + 72SER N 1086 1.886 6.318 2.190 -0.1437 0.0119 0.0310 + 72SER H 1087 1.905 6.355 2.098 2.2165 -0.2019 0.3918 + 72SER CA 1088 1.998 6.262 2.267 -0.0843 1.4451 0.9070 + 72SER HA 1089 1.954 6.169 2.303 1.8496 0.8997 1.9724 + 72SER CB 1090 2.119 6.205 2.182 0.5426 -0.1712 0.8336 + 72SER HB1 1091 2.177 6.289 2.143 1.1345 -0.9633 -0.0430 + 72SER HB2 1092 2.084 6.127 2.115 -0.2015 1.1378 -0.3418 + 72SER OG 1093 2.205 6.127 2.273 -0.5383 -0.1894 0.0129 + 72SER HG 1094 2.285 6.091 2.234 0.8853 0.4564 2.1512 + 72SER C 1095 2.051 6.337 2.386 0.1368 -0.0705 0.5240 + 72SER O 1096 2.075 6.458 2.372 -0.5146 0.3063 0.5638 + 73ARG N 1097 2.066 6.274 2.505 0.3913 0.0274 0.3910 + 73ARG H 1098 2.048 6.175 2.504 -0.9930 0.2741 -0.2725 + 73ARG CA 1099 2.119 6.329 2.629 0.6423 -0.0688 0.7753 + 73ARG HA 1100 2.105 6.436 2.643 -0.1098 -0.5329 4.4323 + 73ARG CB 1101 2.057 6.259 2.755 0.2077 0.6102 0.4438 + 73ARG HB1 1102 2.116 6.288 2.842 -0.3163 0.4104 0.8697 + 73ARG HB2 1103 2.056 6.151 2.741 -2.2074 0.5348 0.7225 + 73ARG CG 1104 1.908 6.289 2.793 -0.3962 0.3287 0.3916 + 73ARG HG1 1105 1.890 6.397 2.798 -3.1130 -0.0993 1.0950 + 73ARG HG2 1106 1.889 6.229 2.881 0.7897 0.8643 1.0519 + 73ARG CD 1107 1.814 6.236 2.684 -0.3600 0.2127 -0.0645 + 73ARG HD1 1108 1.854 6.138 2.659 3.3092 2.0650 -2.3757 + 73ARG HD2 1109 1.812 6.305 2.600 -0.6960 1.4927 0.9589 + 73ARG NE 1110 1.676 6.223 2.729 -0.0324 0.1094 -0.3909 + 73ARG HE 1111 1.664 6.210 2.829 2.7727 -0.0617 -0.0023 + 73ARG CZ 1112 1.573 6.181 2.654 -1.4033 -0.2466 0.2396 + 73ARG NH1 1113 1.564 6.179 2.528 0.1654 -0.1511 -0.2052 + 73ARG HH11 1114 1.629 6.231 2.470 0.6237 1.1337 1.3828 + 73ARG HH12 1115 1.488 6.131 2.482 0.8677 0.1387 -1.7401 + 73ARG NH2 1116 1.474 6.118 2.705 0.3265 0.3178 -0.3779 + 73ARG HH21 1117 1.470 6.114 2.806 -0.4439 2.7473 -0.2564 + 73ARG HH22 1118 1.399 6.084 2.646 -0.1174 -0.1096 0.4117 + 73ARG C 1119 2.279 6.320 2.632 0.5062 0.0958 0.7977 + 73ARG O 1120 2.335 6.389 2.716 -0.0361 0.1221 -0.0374 + 74ASN N 1121 2.341 6.243 2.537 0.7471 -0.0091 0.7213 + 74ASN H 1122 2.276 6.201 2.471 1.5195 -0.8965 0.5128 + 74ASN CA 1123 2.486 6.233 2.506 -0.2777 -0.0315 -0.0667 + 74ASN HA 1124 2.500 6.138 2.454 0.2329 0.5451 -0.9902 + 74ASN CB 1125 2.522 6.334 2.401 -0.0086 1.2084 0.3567 + 74ASN HB1 1126 2.516 6.436 2.439 -2.0656 2.2782 -2.5422 + 74ASN HB2 1127 2.443 6.325 2.326 0.9593 -1.9255 -0.4508 + 74ASN CG 1128 2.658 6.308 2.331 -0.3852 0.5708 0.3163 + 74ASN OD1 1129 2.725 6.210 2.359 0.2032 0.3053 0.3151 + 74ASN ND2 1130 2.709 6.392 2.247 -0.2151 -0.1250 -0.1395 + 74ASN HD21 1131 2.661 6.477 2.220 -1.1722 -0.1504 1.3121 + 74ASN HD22 1132 2.799 6.367 2.209 0.2695 1.1420 0.1396 + 74ASN C 1133 2.574 6.226 2.632 -0.0834 0.1611 -0.2537 + 74ASN O 1134 2.661 6.311 2.659 0.1804 0.1434 0.3989 + 75LEU N 1135 2.547 6.132 2.727 0.1372 -0.0154 -0.0423 + 75LEU H 1136 2.465 6.076 2.711 -0.8886 1.1459 0.9399 + 75LEU CA 1137 2.599 6.131 2.866 -0.1063 -0.0385 0.2080 + 75LEU HA 1138 2.599 6.234 2.903 0.3695 -0.7814 2.3664 + 75LEU CB 1139 2.501 6.066 2.958 -0.3426 -0.6335 -0.0748 + 75LEU HB1 1140 2.558 6.054 3.050 2.0200 0.2857 -1.3265 + 75LEU HB2 1141 2.481 5.970 2.910 1.0108 -0.0544 -1.9181 + 75LEU CG 1142 2.373 6.147 3.001 -0.1653 -0.7690 0.1132 + 75LEU HG 1143 2.322 6.159 2.905 1.0249 -1.9922 -0.7010 + 75LEU CD1 1144 2.283 6.059 3.087 -0.1899 -1.0610 -0.0898 + 75LEU HD11 1145 2.185 6.105 3.097 -1.2563 -3.4042 1.3235 + 75LEU HD12 1146 2.266 5.959 3.046 -0.5991 -0.7436 -0.6968 + 75LEU HD13 1147 2.318 6.054 3.190 0.4668 1.1553 -0.1654 + 75LEU CD2 1148 2.405 6.282 3.063 0.0458 -0.6042 -0.1873 + 75LEU HD21 1149 2.321 6.305 3.128 -0.4596 -0.6629 -0.8184 + 75LEU HD22 1150 2.487 6.287 3.135 -1.2290 0.1208 1.2713 + 75LEU HD23 1151 2.433 6.356 2.988 -0.7337 -0.6317 -0.5081 + 75LEU C 1152 2.744 6.083 2.878 -0.9844 0.1155 -0.5017 + 75LEU O 1153 2.800 6.084 2.990 0.3512 0.2716 0.2678 + 76CYS N 1154 2.813 6.046 2.767 -0.2201 0.4418 -0.7235 + 76CYS H 1155 2.761 6.036 2.681 -0.8297 -1.9700 -0.1619 + 76CYS CA 1156 2.957 6.029 2.750 0.2712 0.7425 -0.1131 + 76CYS HA 1157 3.005 6.020 2.847 0.0287 -2.2332 -0.1656 + 76CYS CB 1158 2.986 5.891 2.696 -0.1626 -0.0727 -0.2138 + 76CYS HB1 1159 3.093 5.894 2.674 0.4730 1.4675 2.6983 + 76CYS HB2 1160 2.935 5.886 2.599 -3.9976 1.4825 1.4983 + 76CYS SG 1161 2.945 5.750 2.803 -0.0539 -0.0616 0.2948 + 76CYS C 1162 3.022 6.138 2.661 0.5580 -0.5687 0.3655 + 76CYS O 1163 3.145 6.142 2.649 0.5867 -0.0418 0.2939 + 77ASN N 1164 2.942 6.236 2.604 -0.2870 0.7782 0.2492 + 77ASN H 1165 2.845 6.236 2.630 -0.6442 2.4606 -0.9115 + 77ASN CA 1166 2.992 6.341 2.515 0.0922 -0.2181 -0.1144 + 77ASN HA 1167 2.905 6.389 2.470 0.5070 0.5688 -0.1081 + 77ASN CB 1168 3.055 6.451 2.603 0.2237 -0.5702 -0.4621 + 77ASN HB1 1169 3.153 6.423 2.644 0.0938 0.5476 0.7111 + 77ASN HB2 1170 2.988 6.478 2.685 0.3232 1.8140 -1.1044 + 77ASN CG 1171 3.059 6.589 2.530 0.3173 -0.6250 0.4847 + 77ASN OD1 1172 3.007 6.611 2.424 0.2143 -0.0821 -0.0387 + 77ASN ND2 1173 3.123 6.685 2.589 -0.1875 -0.0485 0.0716 + 77ASN HD21 1174 3.178 6.666 2.672 -1.4952 -0.4965 0.8556 + 77ASN HD22 1175 3.130 6.776 2.544 -2.6065 1.0058 1.6112 + 77ASN C 1176 3.067 6.300 2.390 0.7993 -0.1177 0.1126 + 77ASN O 1177 3.178 6.349 2.374 -0.3265 -0.1091 -0.3790 + 78ILE N 1178 3.018 6.200 2.318 -0.1947 -0.5893 -0.0667 + 78ILE H 1179 2.925 6.169 2.341 -0.0230 -1.2521 -0.2297 + 78ILE CA 1180 3.085 6.125 2.212 0.4633 0.9716 0.4424 + 78ILE HA 1181 3.165 6.189 2.176 1.0748 0.6361 1.1679 + 78ILE CB 1182 3.166 6.001 2.263 -0.2713 0.0151 -0.4238 + 78ILE HB 1183 3.212 5.961 2.173 -1.0343 0.2606 -0.9336 + 78ILE CG2 1184 3.293 6.043 2.353 0.2563 0.4604 -0.1644 + 78ILE HG21 1185 3.346 6.118 2.294 1.5667 0.4942 0.9918 + 78ILE HG22 1186 3.263 6.069 2.455 -1.7645 -1.9527 -0.0376 + 78ILE HG23 1187 3.357 5.956 2.366 1.5466 1.2873 -0.8009 + 78ILE CG1 1188 3.083 5.903 2.343 0.0102 0.0534 0.6292 + 78ILE HG11 1189 3.023 5.860 2.263 1.4074 -0.0352 -0.4109 + 78ILE HG12 1190 3.021 5.946 2.422 -0.9641 1.4190 -0.8344 + 78ILE CD 1191 3.169 5.790 2.404 0.0710 0.3691 0.1342 + 78ILE HD1 1192 3.238 5.761 2.325 -0.2573 -0.9750 0.3226 + 78ILE HD2 1193 3.222 5.810 2.497 2.2050 -0.0841 -0.9272 + 78ILE HD3 1194 3.110 5.704 2.435 0.9112 -0.6829 -1.1347 + 78ILE C 1195 2.993 6.080 2.102 0.2183 -0.6094 0.2099 + 78ILE O 1196 2.873 6.050 2.124 -0.0977 0.0832 0.3007 + 79PRO N 1197 3.050 6.069 1.981 -0.7147 -0.3364 -0.0994 + 79PRO CD 1198 3.171 6.142 1.937 -0.1362 -0.0498 -0.2336 + 79PRO HD1 1199 3.257 6.109 1.996 0.0062 1.0918 0.2212 + 79PRO HD2 1200 3.144 6.246 1.955 -1.1515 -0.4092 0.3717 + 79PRO CG 1201 3.186 6.110 1.785 0.0902 -0.2626 0.4337 + 79PRO HG1 1202 3.260 6.037 1.754 0.2283 -0.6031 1.4991 + 79PRO HG2 1203 3.223 6.197 1.731 1.5376 -0.2913 1.3262 + 79PRO CB 1204 3.045 6.076 1.739 0.3336 0.6386 0.0446 + 79PRO HB1 1205 3.053 6.016 1.649 -0.9214 0.4420 0.0535 + 79PRO HB2 1206 2.987 6.168 1.729 -2.8708 -0.7817 3.4372 + 79PRO CA 1207 2.985 6.009 1.867 -0.4556 0.5423 0.4273 + 79PRO HA 1208 2.884 6.048 1.885 -0.6221 0.2780 0.0562 + 79PRO C 1209 2.982 5.851 1.864 0.7502 0.7331 0.1630 + 79PRO O 1210 3.085 5.783 1.875 0.2412 0.8608 -0.6407 + 80CYS N 1211 2.864 5.796 1.833 -0.0790 0.1097 0.3881 + 80CYS H 1212 2.794 5.865 1.808 0.0711 0.2640 0.3891 + 80CYS CA 1213 2.842 5.654 1.812 1.1815 0.6755 0.3349 + 80CYS HA 1214 2.862 5.604 1.906 -4.2436 -0.3049 1.3011 + 80CYS CB 1215 2.701 5.623 1.791 0.3589 0.6078 0.0274 + 80CYS HB1 1216 2.682 5.515 1.788 -0.0976 0.6776 0.2334 + 80CYS HB2 1217 2.682 5.670 1.695 -3.2402 -0.9469 -0.1775 + 80CYS SG 1218 2.594 5.704 1.921 0.2514 -0.0162 -0.1413 + 80CYS C 1219 2.934 5.590 1.715 -0.0092 0.0506 1.2801 + 80CYS O 1220 2.967 5.475 1.725 -0.0738 0.1196 -0.1217 + 81SER N 1221 2.994 5.668 1.618 0.2347 -0.0732 0.0814 + 81SER H 1222 2.964 5.764 1.612 1.9829 0.6301 1.5546 + 81SER CA 1223 3.097 5.624 1.528 0.3470 0.7213 0.0504 + 81SER HA 1224 3.080 5.519 1.503 1.3553 0.6321 -0.3161 + 81SER CB 1225 3.101 5.701 1.394 -0.0152 -0.6876 -0.3172 + 81SER HB1 1226 3.175 5.655 1.328 -0.6024 0.6132 -1.9569 + 81SER HB2 1227 3.138 5.801 1.413 0.9654 -0.6447 -2.2087 + 81SER OG 1228 2.983 5.697 1.321 0.5107 0.1804 0.0840 + 81SER HG 1229 2.996 5.689 1.226 -1.1577 -1.9757 -0.0473 + 81SER C 1230 3.247 5.609 1.583 0.0633 1.0147 0.6891 + 81SER O 1231 3.333 5.555 1.513 0.6993 0.1347 -0.0508 + 82ALA N 1232 3.269 5.646 1.705 0.2631 -0.2407 0.2602 + 82ALA H 1233 3.207 5.707 1.757 1.0443 -0.4299 1.4648 + 82ALA CA 1234 3.400 5.615 1.779 0.5379 0.0432 0.4341 + 82ALA HA 1235 3.488 5.618 1.714 -0.3127 -0.7723 -0.8045 + 82ALA CB 1236 3.411 5.721 1.885 0.4434 -0.6974 0.3839 + 82ALA HB1 1237 3.328 5.722 1.956 0.6379 -0.8046 0.6147 + 82ALA HB2 1238 3.507 5.704 1.934 1.5142 -1.2492 -1.7831 + 82ALA HB3 1239 3.416 5.822 1.843 0.6165 -0.1546 1.6448 + 82ALA C 1240 3.387 5.477 1.839 0.0452 -0.1605 0.3042 + 82ALA O 1241 3.482 5.429 1.905 0.4419 -0.1829 -0.1084 + 83LEU N 1242 3.264 5.424 1.846 -0.7665 0.0048 -0.8896 + 83LEU H 1243 3.195 5.467 1.786 -0.8623 2.3552 0.7557 + 83LEU CA 1244 3.227 5.305 1.916 -0.3204 0.6268 0.0354 + 83LEU HA 1245 3.306 5.286 1.988 0.2682 -0.9942 -0.9934 + 83LEU CB 1246 3.100 5.341 1.999 -0.3183 0.2273 0.1883 + 83LEU HB1 1247 3.084 5.262 2.072 0.8886 0.2985 0.5376 + 83LEU HB2 1248 3.019 5.352 1.926 0.6027 -1.6299 -1.2166 + 83LEU CG 1249 3.115 5.472 2.084 -0.4487 0.2664 -0.4544 + 83LEU HG 1250 3.142 5.555 2.018 0.8093 -1.6096 -2.4223 + 83LEU CD1 1251 2.988 5.484 2.166 0.5258 0.1370 -0.0058 + 83LEU HD11 1252 2.901 5.470 2.101 -1.1496 0.5107 2.0272 + 83LEU HD12 1253 2.979 5.405 2.242 0.0061 1.9597 1.9357 + 83LEU HD13 1254 2.991 5.578 2.221 2.9482 0.7090 -1.0092 + 83LEU CD2 1255 3.227 5.464 2.188 -0.5150 -0.2676 0.4578 + 83LEU HD21 1256 3.216 5.524 2.278 -0.3972 -0.9827 0.9588 + 83LEU HD22 1257 3.213 5.365 2.231 -0.9750 -0.7580 -0.7772 + 83LEU HD23 1258 3.325 5.488 2.148 -1.0407 1.9878 0.3507 + 83LEU C 1259 3.215 5.183 1.813 -0.7513 -0.4182 -0.0288 + 83LEU O 1260 3.240 5.067 1.851 -0.5010 -0.5026 -0.9312 + 84LEU N 1261 3.197 5.216 1.677 0.0514 0.1047 -0.3085 + 84LEU H 1262 3.160 5.309 1.658 0.7346 0.7114 1.1405 + 84LEU CA 1263 3.211 5.123 1.564 0.0184 0.5717 -0.0702 + 84LEU HA 1264 3.162 5.030 1.590 4.1758 -1.5535 1.0634 + 84LEU CB 1265 3.145 5.191 1.440 0.7958 -0.1290 -0.3162 + 84LEU HB1 1266 3.187 5.150 1.348 -0.2281 -0.8308 -0.4817 + 84LEU HB2 1267 3.179 5.295 1.436 -0.7000 0.3864 -0.4119 + 84LEU CG 1268 2.987 5.188 1.449 0.0466 0.8360 0.0793 + 84LEU HG 1269 2.956 5.252 1.531 -0.6380 -0.4307 0.8340 + 84LEU CD1 1270 2.931 5.227 1.307 -0.8850 -0.1216 -0.3577 + 84LEU HD11 1271 2.991 5.311 1.272 -0.3902 -0.9224 -1.4777 + 84LEU HD12 1272 2.938 5.139 1.243 -2.6834 -0.8268 0.3394 + 84LEU HD13 1273 2.827 5.258 1.317 -0.6350 0.4590 0.5522 + 84LEU CD2 1274 2.929 5.048 1.473 -0.6712 0.7081 0.4346 + 84LEU HD21 1275 2.824 5.056 1.447 -0.2761 0.1639 -1.5499 + 84LEU HD22 1276 2.978 4.976 1.406 -3.1052 -0.8480 0.2192 + 84LEU HD23 1277 2.940 5.007 1.573 -1.3003 -1.1564 -0.2121 + 84LEU C 1278 3.356 5.090 1.530 0.1517 0.0141 0.6052 + 84LEU O 1279 3.384 5.013 1.438 -0.3303 0.2906 -0.4011 + 85SER N 1280 3.449 5.148 1.600 -0.4350 0.3866 -0.2306 + 85SER H 1281 3.423 5.223 1.662 -0.4818 -2.4432 3.6076 + 85SER CA 1282 3.596 5.138 1.577 0.4256 0.6231 -0.8663 + 85SER HA 1283 3.619 5.138 1.470 2.8421 0.4534 -0.4019 + 85SER CB 1284 3.670 5.255 1.629 0.3195 -0.4680 0.2439 + 85SER HB1 1285 3.763 5.273 1.576 -0.5326 0.8094 -0.8917 + 85SER HB2 1286 3.690 5.241 1.735 -1.3297 1.0922 0.8238 + 85SER OG 1287 3.588 5.367 1.617 0.1163 0.6333 -0.6456 + 85SER HG 1288 3.643 5.435 1.656 3.4495 -0.7748 -2.4911 + 85SER C 1289 3.670 5.013 1.644 0.2004 0.8418 0.6950 + 85SER O 1290 3.627 4.963 1.748 0.2481 0.2222 1.0896 + 86SER N 1291 3.784 4.971 1.581 -0.1012 -0.0875 0.1337 + 86SER H 1292 3.794 4.997 1.484 -1.0942 -2.4775 -0.6907 + 86SER CA 1293 3.859 4.858 1.630 -0.0932 -0.0745 1.2166 + 86SER HA 1294 3.787 4.783 1.660 -2.5271 1.6272 -0.0688 + 86SER CB 1295 3.956 4.807 1.522 -0.0058 0.2469 -0.0465 + 86SER HB1 1296 4.002 4.715 1.560 -0.6959 -1.1630 -2.3753 + 86SER HB2 1297 4.039 4.875 1.502 -1.0331 0.8657 -2.5010 + 86SER OG 1298 3.889 4.763 1.407 -0.4717 0.3497 0.3612 + 86SER HG 1299 3.838 4.828 1.357 -1.2628 0.4382 1.2469 + 86SER C 1300 3.939 4.895 1.755 0.0144 0.0107 0.8119 + 86SER O 1301 3.962 4.810 1.835 0.1194 -0.0677 -0.4847 + 87ASP N 1302 3.981 5.020 1.768 0.1834 0.1315 -0.4478 + 87ASP H 1303 3.961 5.090 1.698 1.4803 1.5679 0.5734 + 87ASP CA 1304 4.035 5.068 1.894 0.5050 0.5049 -0.2295 + 87ASP HA 1305 4.106 5.004 1.946 -2.3859 -2.2441 0.6411 + 87ASP CB 1306 4.112 5.203 1.871 0.7479 0.0280 0.6396 + 87ASP HB1 1307 4.057 5.262 1.798 -0.8416 -0.2799 1.5364 + 87ASP HB2 1308 4.204 5.171 1.822 0.4680 0.5438 -0.2539 + 87ASP CG 1309 4.143 5.282 2.000 -0.7279 -0.1566 -0.0305 + 87ASP OD1 1310 4.060 5.354 2.062 -0.2957 0.5864 -0.1900 + 87ASP OD2 1311 4.248 5.261 2.063 0.6573 0.9188 0.4357 + 87ASP C 1312 3.919 5.090 1.993 0.0916 0.2324 -0.5234 + 87ASP O 1313 3.838 5.180 1.988 0.3087 -0.0463 0.5307 + 88ILE N 1314 3.905 4.998 2.091 0.2597 -0.2031 0.4909 + 88ILE H 1315 3.978 4.929 2.102 0.4553 -0.2093 -0.7580 + 88ILE CA 1316 3.796 4.996 2.184 -0.4145 0.2486 -0.0265 + 88ILE HA 1317 3.706 5.045 2.147 0.3429 0.9497 -0.9728 + 88ILE CB 1318 3.757 4.851 2.222 -0.2094 0.3601 0.0548 + 88ILE HB 1319 3.671 4.858 2.288 0.3057 -1.1372 0.9261 + 88ILE CG2 1320 3.726 4.770 2.101 0.1842 0.1728 0.1554 + 88ILE HG21 1321 3.814 4.753 2.038 -1.0641 0.3933 -1.7366 + 88ILE HG22 1322 3.688 4.670 2.124 -2.2086 1.1737 0.8670 + 88ILE HG23 1323 3.646 4.818 2.044 -0.9524 -0.0112 1.5635 + 88ILE CG1 1324 3.862 4.778 2.313 -0.0826 -0.2525 -0.3450 + 88ILE HG11 1325 3.905 4.845 2.387 1.2166 -2.1972 0.7301 + 88ILE HG12 1326 3.932 4.729 2.246 -0.6223 1.3494 -2.1742 + 88ILE CD 1327 3.809 4.660 2.391 0.1660 0.1940 0.3698 + 88ILE HD1 1328 3.743 4.701 2.467 -0.9569 -0.7651 -0.0643 + 88ILE HD2 1329 3.748 4.592 2.332 0.4997 -0.0399 0.2891 + 88ILE HD3 1330 3.884 4.599 2.441 0.3187 -1.4558 -1.7301 + 88ILE C 1331 3.817 5.087 2.306 -0.3817 0.4898 0.0863 + 88ILE O 1332 3.757 5.077 2.414 0.7267 -0.5135 0.4860 + 89THR N 1333 3.908 5.182 2.305 0.4898 0.0384 -0.2504 + 89THR H 1334 3.958 5.195 2.218 0.0360 0.1242 -0.5058 + 89THR CA 1335 3.940 5.278 2.417 -0.2308 -0.4925 -0.6752 + 89THR HA 1336 3.965 5.224 2.508 -0.8547 1.6972 0.8576 + 89THR CB 1337 4.069 5.361 2.386 0.3486 0.8611 0.0001 + 89THR HB 1338 4.048 5.421 2.297 -0.4923 -0.0439 -0.4294 + 89THR CG2 1339 4.133 5.441 2.504 -0.0847 0.1507 -0.2652 + 89THR HG21 1340 4.162 5.372 2.583 -0.8967 0.8188 0.6408 + 89THR HG22 1341 4.213 5.508 2.470 -0.5434 0.3003 -1.0691 + 89THR HG23 1342 4.056 5.497 2.557 0.5109 -0.8023 1.7064 + 89THR OG1 1343 4.171 5.280 2.333 0.0623 0.0215 -0.2945 + 89THR HG1 1344 4.182 5.298 2.240 1.2249 -2.5352 -0.7302 + 89THR C 1345 3.831 5.381 2.446 0.5576 -0.0837 0.2340 + 89THR O 1346 3.784 5.388 2.555 0.1893 -0.7193 -0.0022 + 90ALA N 1347 3.777 5.441 2.342 -0.2948 -0.9412 -0.1650 + 90ALA H 1348 3.813 5.425 2.249 0.2275 1.3526 -0.4319 + 90ALA CA 1349 3.676 5.539 2.362 0.1649 -0.0976 -0.3180 + 90ALA HA 1350 3.703 5.614 2.436 -0.5670 -0.8565 0.7609 + 90ALA CB 1351 3.640 5.599 2.223 -0.3713 0.9841 0.3505 + 90ALA HB1 1352 3.573 5.685 2.228 0.6077 1.8340 -0.5930 + 90ALA HB2 1353 3.728 5.634 2.169 -0.8261 -1.2906 -2.0902 + 90ALA HB3 1354 3.594 5.529 2.154 0.4188 2.4434 -1.7538 + 90ALA C 1355 3.546 5.469 2.416 -0.0842 -0.0394 -0.4141 + 90ALA O 1356 3.478 5.528 2.503 0.4770 0.0753 0.7846 + 91SER N 1357 3.519 5.341 2.376 0.6002 -0.3639 -0.4659 + 91SER H 1358 3.589 5.301 2.315 0.8556 -1.3441 0.4183 + 91SER CA 1359 3.409 5.255 2.429 0.0514 -0.2782 0.0706 + 91SER HA 1360 3.311 5.301 2.415 0.6949 0.2113 -4.0467 + 91SER CB 1361 3.398 5.129 2.351 -0.2722 0.2688 -0.3988 + 91SER HB1 1362 3.316 5.073 2.394 0.7595 -0.7444 0.3164 + 91SER HB2 1363 3.487 5.066 2.360 -0.7787 -0.6334 -1.5046 + 91SER OG 1364 3.361 5.152 2.219 0.3952 0.7028 -0.1784 + 91SER HG 1365 3.437 5.195 2.181 0.4824 -0.5373 -1.4648 + 91SER C 1366 3.430 5.227 2.577 0.0983 0.0050 -0.0757 + 91SER O 1367 3.339 5.244 2.658 -0.5974 -0.6317 -0.0078 + 92VAL N 1368 3.551 5.183 2.613 0.1409 -0.2066 -0.1008 + 92VAL H 1369 3.629 5.180 2.549 -0.5587 -0.1043 -0.9711 + 92VAL CA 1370 3.580 5.152 2.755 0.5646 -0.2972 0.0505 + 92VAL HA 1371 3.510 5.077 2.788 -0.6196 1.0186 0.6233 + 92VAL CB 1372 3.721 5.079 2.769 -0.1555 -0.5906 -1.0048 + 92VAL HB 1373 3.793 5.123 2.700 0.5772 -2.1089 -1.2618 + 92VAL CG1 1374 3.770 5.088 2.914 0.2075 -0.4540 0.4761 + 92VAL HG11 1375 3.687 5.071 2.984 0.0783 -1.0072 0.1937 + 92VAL HG12 1376 3.844 5.012 2.937 0.7075 -0.8404 -2.1512 + 92VAL HG13 1377 3.815 5.183 2.942 0.6798 -0.7823 0.8525 + 92VAL CG2 1378 3.700 4.939 2.722 0.3614 0.0028 -0.5268 + 92VAL HG21 1379 3.658 4.940 2.621 -0.4374 1.8600 -0.2282 + 92VAL HG22 1380 3.795 4.888 2.711 -0.0972 -1.0030 0.0573 + 92VAL HG23 1381 3.627 4.880 2.777 0.4753 -1.6955 -2.1111 + 92VAL C 1382 3.547 5.269 2.858 -0.0465 0.2998 -0.1196 + 92VAL O 1383 3.475 5.257 2.955 0.5530 -0.0134 0.0405 + 93ASN N 1384 3.599 5.383 2.816 0.0478 0.1992 -0.6697 + 93ASN H 1385 3.655 5.383 2.732 1.4959 1.8821 0.2194 + 93ASN CA 1386 3.589 5.515 2.888 0.0703 0.4214 0.3973 + 93ASN HA 1387 3.631 5.519 2.988 -1.0758 2.2136 0.8590 + 93ASN CB 1388 3.658 5.629 2.813 -0.0837 -0.6589 0.5460 + 93ASN HB1 1389 3.631 5.732 2.839 1.4592 -0.0903 0.0070 + 93ASN HB2 1390 3.644 5.616 2.706 0.8003 -0.8718 0.4514 + 93ASN CG 1391 3.808 5.617 2.842 -0.5624 -1.2046 -0.3216 + 93ASN OD1 1392 3.860 5.658 2.945 -0.4903 0.0658 0.0707 + 93ASN ND2 1393 3.883 5.547 2.768 0.1331 -0.3743 0.1190 + 93ASN HD21 1394 3.844 5.500 2.687 -1.6404 2.4319 -0.8191 + 93ASN HD22 1395 3.978 5.527 2.795 0.1826 -0.6364 -0.2443 + 93ASN C 1396 3.443 5.549 2.927 0.3040 0.2238 -0.7690 + 93ASN O 1397 3.410 5.590 3.038 -0.3612 0.2352 -0.6095 + 94CYS N 1398 3.357 5.533 2.824 0.3210 0.5857 0.1151 + 94CYS H 1399 3.396 5.521 2.732 -1.1283 1.0791 -0.6114 + 94CYS CA 1400 3.208 5.539 2.836 -0.2655 -0.5012 -0.5609 + 94CYS HA 1401 3.193 5.634 2.888 1.2583 -1.3972 1.6257 + 94CYS CB 1402 3.150 5.572 2.699 0.1804 -0.2066 -0.1624 + 94CYS HB1 1403 3.167 5.487 2.633 0.3945 -0.9322 0.8133 + 94CYS HB2 1404 3.198 5.665 2.668 0.3101 -0.0524 0.4859 + 94CYS SG 1405 2.971 5.593 2.683 -0.2320 -0.2285 0.5814 + 94CYS C 1406 3.139 5.425 2.911 -0.2178 -0.0992 -0.5955 + 94CYS O 1407 3.063 5.446 3.000 0.1053 -0.0368 -0.1968 + 95ALA N 1408 3.189 5.306 2.890 -0.4304 -0.2677 0.6212 + 95ALA H 1409 3.257 5.298 2.816 1.2682 -1.4191 2.1958 + 95ALA CA 1410 3.141 5.183 2.954 0.3367 -0.7677 0.8793 + 95ALA HA 1411 3.034 5.167 2.941 0.2399 1.0062 -1.0630 + 95ALA CB 1412 3.215 5.063 2.879 -0.6210 -0.2910 -0.1149 + 95ALA HB1 1413 3.184 5.058 2.775 0.3393 1.3549 -0.5074 + 95ALA HB2 1414 3.323 5.071 2.880 -0.5919 -0.1742 -1.7562 + 95ALA HB3 1415 3.178 4.970 2.924 -2.3184 0.1654 -0.4864 + 95ALA C 1416 3.147 5.183 3.109 0.1800 -0.3572 0.0416 + 95ALA O 1417 3.047 5.157 3.179 0.0963 0.1820 -0.6437 + 96LYS N 1418 3.264 5.225 3.163 0.1716 0.4291 -0.0843 + 96LYS H 1419 3.336 5.240 3.094 0.8498 -0.7721 0.3443 + 96LYS CA 1420 3.286 5.266 3.299 0.6523 -0.0240 0.2347 + 96LYS HA 1421 3.270 5.178 3.361 -0.7439 0.3732 0.4610 + 96LYS CB 1422 3.430 5.316 3.320 -0.6715 0.0720 0.0075 + 96LYS HB1 1423 3.433 5.337 3.427 -1.5802 1.9428 -0.2962 + 96LYS HB2 1424 3.454 5.403 3.258 -0.8474 -1.3338 -2.1442 + 96LYS CG 1425 3.536 5.207 3.287 -0.2560 -0.0714 0.0465 + 96LYS HG1 1426 3.502 5.152 3.200 -1.6019 3.3070 -1.7703 + 96LYS HG2 1427 3.545 5.139 3.372 -0.2214 0.6213 0.6117 + 96LYS CD 1428 3.681 5.256 3.277 -0.4135 -1.0929 0.1906 + 96LYS HD1 1429 3.710 5.307 3.368 -0.1088 -0.3569 -0.3087 + 96LYS HD2 1430 3.691 5.320 3.189 -1.0417 -2.3036 -0.8066 + 96LYS CE 1431 3.775 5.132 3.265 0.0827 -0.4741 -0.0411 + 96LYS HE1 1432 3.748 5.078 3.174 0.6666 0.1149 -0.5667 + 96LYS HE2 1433 3.766 5.075 3.358 -1.8630 2.0866 1.4910 + 96LYS NZ 1434 3.911 5.177 3.244 -0.7580 -0.0191 -0.6691 + 96LYS HZ1 1435 3.914 5.252 3.177 -0.8555 2.2618 1.6955 + 96LYS HZ2 1436 3.939 5.214 3.334 0.5942 -1.2452 -0.5574 + 96LYS HZ3 1437 3.972 5.102 3.217 1.0021 1.1317 -0.0883 + 96LYS C 1438 3.180 5.373 3.357 0.5189 0.0711 0.2837 + 96LYS O 1439 3.148 5.356 3.477 0.1812 0.2865 0.1190 + 97LYS N 1440 3.132 5.463 3.274 0.1345 0.4716 -0.2349 + 97LYS H 1441 3.171 5.478 3.182 -0.9997 -0.6206 -0.9195 + 97LYS CA 1442 3.027 5.561 3.313 -0.0512 -0.0067 0.8057 + 97LYS HA 1443 3.052 5.603 3.410 -1.1824 0.2671 0.9989 + 97LYS CB 1444 3.033 5.689 3.222 -0.5595 -0.1651 -0.8026 + 97LYS HB1 1445 2.963 5.761 3.264 -1.3413 -0.2808 -1.8705 + 97LYS HB2 1446 3.015 5.674 3.115 -0.2469 -1.4199 -0.6932 + 97LYS CG 1447 3.174 5.742 3.231 -0.2663 -0.3797 -0.4664 + 97LYS HG1 1448 3.245 5.673 3.186 2.6778 1.2940 1.2410 + 97LYS HG2 1449 3.199 5.745 3.337 -1.7290 0.2805 -0.1206 + 97LYS CD 1450 3.201 5.879 3.175 -0.1825 -0.4749 -0.2641 + 97LYS HD1 1451 3.134 5.953 3.219 0.3110 -0.3809 0.3515 + 97LYS HD2 1452 3.184 5.884 3.068 -0.8481 -1.3337 -0.1997 + 97LYS CE 1453 3.342 5.929 3.200 0.4042 -0.1631 -0.8942 + 97LYS HE1 1454 3.407 5.878 3.128 -0.0410 1.0497 -2.1978 + 97LYS HE2 1455 3.360 5.899 3.303 -3.9233 -0.7578 -0.1552 + 97LYS NZ 1456 3.360 6.070 3.172 -0.1372 0.2010 0.4822 + 97LYS HZ1 1457 3.296 6.126 3.226 -1.4428 0.0268 -0.8338 + 97LYS HZ2 1458 3.451 6.097 3.207 0.7097 -1.8673 0.0252 + 97LYS HZ3 1459 3.346 6.073 3.072 0.3472 0.7156 0.4190 + 97LYS C 1460 2.890 5.495 3.318 0.4291 -0.7082 -0.8508 + 97LYS O 1461 2.812 5.528 3.409 1.4019 0.5778 -0.0769 + 98ILE N 1462 2.860 5.397 3.229 0.1615 0.2624 0.2176 + 98ILE H 1463 2.935 5.376 3.165 -2.1596 -0.0981 -2.6120 + 98ILE CA 1464 2.731 5.324 3.220 -0.1171 0.2156 0.2705 + 98ILE HA 1465 2.646 5.392 3.215 -2.9540 -2.9688 1.7121 + 98ILE CB 1466 2.731 5.243 3.087 0.4624 -0.0487 -0.1642 + 98ILE HB 1467 2.815 5.175 3.072 1.0906 0.5428 0.6590 + 98ILE CG2 1468 2.609 5.158 3.082 0.1038 0.2142 0.0794 + 98ILE HG21 1469 2.593 5.123 2.980 0.3702 -1.4947 0.5881 + 98ILE HG22 1470 2.617 5.062 3.133 -0.8729 -1.6419 -3.0007 + 98ILE HG23 1471 2.518 5.212 3.107 0.4810 0.8311 0.1523 + 98ILE CG1 1472 2.714 5.340 2.969 -0.0065 0.6199 0.4732 + 98ILE HG11 1473 2.787 5.422 2.970 1.8432 -0.9715 0.7076 + 98ILE HG12 1474 2.616 5.385 2.982 -1.0091 -0.3532 -2.7872 + 98ILE CD 1475 2.710 5.286 2.823 -0.5511 0.1984 -0.3087 + 98ILE HD1 1476 2.607 5.252 2.813 0.0869 -2.1624 0.4520 + 98ILE HD2 1477 2.719 5.364 2.747 -0.1272 -0.6408 -1.1338 + 98ILE HD3 1478 2.793 5.218 2.807 -2.1223 -1.5555 -1.4095 + 98ILE C 1479 2.707 5.239 3.342 -0.4347 -0.9016 0.7315 + 98ILE O 1480 2.600 5.263 3.401 -0.0633 0.3771 0.0046 + 99VAL N 1481 2.809 5.163 3.384 -0.9573 0.2429 -0.0532 + 99VAL H 1482 2.893 5.159 3.329 -0.3638 -0.2076 0.8567 + 99VAL CA 1483 2.815 5.085 3.511 1.1885 -0.3569 0.3568 + 99VAL HA 1484 2.724 5.025 3.508 1.5234 -0.9861 2.1152 + 99VAL CB 1485 2.938 4.988 3.513 -0.3774 0.0072 0.2678 + 99VAL HB 1486 2.936 4.932 3.419 -0.4617 1.3088 -0.5417 + 99VAL CG1 1487 3.066 5.066 3.522 -0.0739 -0.6906 -0.3130 + 99VAL HG11 1488 3.065 5.147 3.595 1.3478 0.6951 -1.7149 + 99VAL HG12 1489 3.151 4.999 3.531 -1.3193 -2.3995 -0.8438 + 99VAL HG13 1490 3.079 5.125 3.431 -1.6826 -0.4760 -0.4330 + 99VAL CG2 1491 2.945 4.884 3.632 0.4544 -0.5107 0.3402 + 99VAL HG21 1492 3.037 4.828 3.621 0.0885 -0.9758 -0.4777 + 99VAL HG22 1493 2.938 4.919 3.735 -0.9620 0.8152 -0.1580 + 99VAL HG23 1494 2.872 4.803 3.626 1.6154 -1.6464 0.9987 + 99VAL C 1495 2.803 5.178 3.638 -0.3920 0.3704 0.3005 + 99VAL O 1496 2.774 5.137 3.748 0.0550 0.4111 -0.4011 + 100SER N 1497 2.825 5.308 3.629 0.3234 0.1568 0.1560 + 100SER H 1498 2.824 5.352 3.538 0.5411 -1.0284 -0.4453 + 100SER CA 1499 2.821 5.404 3.753 0.2515 -0.4459 0.3288 + 100SER HA 1500 2.843 5.354 3.847 -1.7981 0.7488 1.5247 + 100SER CB 1501 2.949 5.493 3.739 -0.6540 0.0044 -0.4387 + 100SER HB1 1502 2.946 5.564 3.822 -0.4483 0.9486 -1.2219 + 100SER HB2 1503 2.944 5.559 3.652 1.5418 1.1727 0.2610 + 100SER OG 1504 3.072 5.419 3.733 -0.5189 -0.3066 0.0270 + 100SER HG 1505 3.083 5.398 3.640 1.8172 -0.0090 0.1798 + 100SER C 1506 2.692 5.487 3.756 0.6603 -0.3249 -0.1114 + 100SER O 1507 2.672 5.554 3.856 0.7905 -0.4617 0.5906 + 101ASP N 1508 2.595 5.467 3.665 0.1703 0.0905 0.0252 + 101ASP H 1509 2.615 5.403 3.590 -0.6570 -2.2721 1.7156 + 101ASP CA 1510 2.475 5.552 3.657 0.2966 0.1155 -0.2828 + 101ASP HA 1511 2.496 5.658 3.673 -2.1482 0.7516 -0.7234 + 101ASP CB 1512 2.419 5.554 3.513 -0.3054 0.7914 -0.0420 + 101ASP HB1 1513 2.404 5.450 3.486 -0.0274 0.4063 1.2067 + 101ASP HB2 1514 2.495 5.595 3.446 0.2244 -0.1552 -0.0458 + 101ASP CG 1515 2.290 5.638 3.493 -0.2417 0.5742 -0.1335 + 101ASP OD1 1516 2.290 5.760 3.509 -0.2844 -0.3197 0.4228 + 101ASP OD2 1517 2.179 5.576 3.474 -0.2618 -0.3971 -0.6420 + 101ASP C 1518 2.355 5.513 3.762 0.0407 -0.0347 0.1609 + 101ASP O 1519 2.257 5.588 3.786 0.3909 0.8158 -0.0004 + 102GLY N 1520 2.378 5.392 3.819 0.0154 -0.1164 -0.0845 + 102GLY H 1521 2.460 5.340 3.788 -0.5152 -1.8289 1.1916 + 102GLY CA 1522 2.303 5.346 3.937 -0.1258 0.3395 -0.2992 + 102GLY HA1 1523 2.210 5.401 3.950 -0.0981 0.5457 -0.9584 + 102GLY HA2 1524 2.365 5.376 4.021 -0.9617 -1.0658 0.8841 + 102GLY C 1525 2.285 5.195 3.970 0.4684 0.3170 -0.4439 + 102GLY O 1526 2.263 5.156 4.085 -0.5206 -0.0828 -0.2479 + 103ASN N 1527 2.290 5.111 3.867 -0.1538 0.3963 -0.2380 + 103ASN H 1528 2.301 5.149 3.774 -1.7794 1.2349 -0.1235 + 103ASN CA 1529 2.241 4.968 3.864 0.9360 -0.4132 -0.2630 + 103ASN HA 1530 2.198 4.934 3.958 -0.2526 -2.2905 -1.4132 + 103ASN CB 1531 2.130 4.984 3.763 0.1287 -0.4465 -0.3493 + 103ASN HB1 1532 2.173 4.987 3.663 1.2982 -0.0579 0.1494 + 103ASN HB2 1533 2.075 5.077 3.775 0.1219 -0.3744 -0.8802 + 103ASN CG 1534 2.023 4.882 3.768 0.6448 0.1502 -0.0502 + 103ASN OD1 1535 2.011 4.811 3.860 -0.2891 0.1752 -0.0254 + 103ASN ND2 1536 1.952 4.868 3.659 0.5554 -0.4431 0.3958 + 103ASN HD21 1537 1.961 4.952 3.603 -0.0108 -0.9429 -0.4791 + 103ASN HD22 1538 1.880 4.798 3.656 -0.4836 0.6163 -0.5090 + 103ASN C 1539 2.354 4.865 3.837 0.6739 -0.0858 -0.1963 + 103ASN O 1540 2.333 4.742 3.827 -0.6058 -0.2838 0.3143 + 104GLY N 1541 2.476 4.914 3.815 -0.1021 0.0975 0.5473 + 104GLY H 1542 2.493 5.011 3.793 2.7501 -0.6898 -1.3046 + 104GLY CA 1543 2.594 4.834 3.782 -0.1655 0.2847 0.1926 + 104GLY HA1 1544 2.617 4.767 3.865 -0.1670 1.8041 1.4728 + 104GLY HA2 1545 2.683 4.897 3.780 -0.7399 1.0857 -1.4457 + 104GLY C 1546 2.580 4.779 3.645 0.1888 -0.1178 0.3446 + 104GLY O 1547 2.522 4.837 3.550 0.0011 -0.3909 0.2757 + 105MET N 1548 2.608 4.649 3.631 -0.0404 0.3408 0.5628 + 105MET H 1549 2.649 4.601 3.710 1.2635 2.1145 1.0200 + 105MET CA 1550 2.598 4.575 3.505 0.5900 0.1991 -0.9291 + 105MET HA 1551 2.642 4.639 3.429 -0.1920 0.6397 -1.0165 + 105MET CB 1552 2.680 4.450 3.514 -0.3362 -0.3432 -0.2266 + 105MET HB1 1553 2.677 4.392 3.422 -0.1003 -0.3242 -0.2483 + 105MET HB2 1554 2.641 4.402 3.604 -0.0342 -0.4226 -0.1342 + 105MET CG 1555 2.829 4.478 3.533 0.4040 -0.3049 -0.2219 + 105MET HG1 1556 2.875 4.380 3.525 -2.2260 -1.6490 0.1020 + 105MET HG2 1557 2.839 4.518 3.634 -1.1899 -0.5011 0.0455 + 105MET SD 1558 2.934 4.570 3.426 -0.2577 0.3048 -0.1170 + 105MET CE 1559 2.950 4.465 3.276 -0.2054 0.3480 -0.8574 + 105MET HE1 1560 3.024 4.492 3.200 2.4205 -1.7033 0.7573 + 105MET HE2 1561 2.985 4.369 3.313 -0.5710 0.7242 0.5138 + 105MET HE3 1562 2.851 4.450 3.234 -0.9955 -0.1645 1.0672 + 105MET C 1563 2.456 4.544 3.454 0.8205 -0.4410 0.0619 + 105MET O 1564 2.439 4.514 3.340 -0.1965 0.3732 0.4933 + 106ASN N 1565 2.360 4.567 3.532 0.6171 0.2391 -0.2284 + 106ASN H 1566 2.381 4.596 3.626 0.5746 -4.0377 1.3353 + 106ASN CA 1567 2.212 4.560 3.506 -0.5357 -0.7032 -0.3055 + 106ASN HA 1568 2.189 4.458 3.474 -2.5578 -0.0106 -1.2786 + 106ASN CB 1569 2.123 4.574 3.643 0.4253 0.7327 0.0262 + 106ASN HB1 1570 2.016 4.562 3.625 0.5597 0.2524 -0.4636 + 106ASN HB2 1571 2.142 4.667 3.697 -0.0520 1.5158 -1.1211 + 106ASN CG 1572 2.151 4.457 3.738 0.1575 -0.0047 0.4263 + 106ASN OD1 1573 2.083 4.357 3.739 0.1180 0.2005 -0.5940 + 106ASN ND2 1574 2.250 4.474 3.825 -0.0723 0.3344 -0.1371 + 106ASN HD21 1575 2.292 4.565 3.829 1.0938 -0.1438 -0.8726 + 106ASN HD22 1576 2.256 4.405 3.898 -0.5057 0.5137 0.0670 + 106ASN C 1577 2.156 4.654 3.395 0.2948 -0.2597 -0.7451 + 106ASN O 1578 2.042 4.642 3.360 -0.4224 -0.4578 0.5031 + 107ALA N 1579 2.233 4.750 3.341 0.3903 -0.3591 -0.0466 + 107ALA H 1580 2.333 4.749 3.357 1.0100 0.5419 -3.1146 + 107ALA CA 1581 2.196 4.834 3.224 -0.2859 -0.2310 0.5190 + 107ALA HA 1582 2.090 4.861 3.227 0.1269 1.5793 0.2064 + 107ALA CB 1583 2.278 4.960 3.216 1.2638 0.4734 0.0119 + 107ALA HB1 1584 2.231 5.017 3.136 -0.1574 0.8118 1.0597 + 107ALA HB2 1585 2.267 5.005 3.314 -1.5973 -0.5156 0.2502 + 107ALA HB3 1586 2.382 4.930 3.204 1.9467 2.2120 1.1864 + 107ALA C 1587 2.217 4.756 3.085 0.2197 -0.1068 0.3470 + 107ALA O 1588 2.162 4.811 2.987 0.3888 0.1424 0.1964 + 108TRP N 1589 2.280 4.637 3.081 0.6301 -0.3242 -0.0506 + 108TRP H 1590 2.310 4.600 3.170 -1.2922 -1.8397 0.0239 + 108TRP CA 1591 2.279 4.545 2.967 0.1730 -0.5475 0.3202 + 108TRP HA 1592 2.232 4.591 2.880 -1.1939 -0.0058 1.3001 + 108TRP CB 1593 2.416 4.502 2.914 -0.3047 0.4019 0.3844 + 108TRP HB1 1594 2.401 4.436 2.829 1.0599 -1.6795 1.6800 + 108TRP HB2 1595 2.464 4.445 2.993 -1.2800 -1.3513 -0.2413 + 108TRP CG 1596 2.508 4.611 2.867 -0.3984 0.3584 -0.0310 + 108TRP CD1 1597 2.519 4.666 2.742 -0.3985 -0.0857 0.2560 + 108TRP HD1 1598 2.468 4.628 2.655 0.8314 -1.6231 0.1740 + 108TRP NE1 1599 2.615 4.770 2.750 -0.3548 -0.3425 0.7412 + 108TRP HE1 1600 2.649 4.821 2.670 0.8606 1.2174 2.1657 + 108TRP CE2 1601 2.666 4.792 2.873 -0.4221 0.5530 -0.0519 + 108TRP CZ2 1602 2.756 4.887 2.918 0.3700 0.2879 -0.1792 + 108TRP HZ2 1603 2.783 4.968 2.852 -1.9328 0.5980 -0.8336 + 108TRP CH2 1604 2.794 4.877 3.052 -0.6537 -0.7156 -0.0079 + 108TRP HH2 1605 2.873 4.939 3.090 1.7264 -3.1442 -0.6866 + 108TRP CZ3 1606 2.730 4.781 3.137 1.0116 -0.2335 0.0336 + 108TRP HZ3 1607 2.767 4.759 3.236 -2.4167 -3.9723 0.7532 + 108TRP CE3 1608 2.632 4.686 3.089 0.1129 0.4619 -0.0858 + 108TRP HE3 1609 2.583 4.605 3.140 0.3256 -0.7358 -1.7029 + 108TRP CD2 1610 2.599 4.692 2.953 -0.4635 0.2492 0.4719 + 108TRP C 1611 2.180 4.429 2.982 0.0093 0.4363 -0.0597 + 108TRP O 1612 2.179 4.364 3.089 0.3701 -0.0889 -0.4577 + 109VAL N 1613 2.091 4.414 2.887 0.0358 -0.3367 -0.1086 + 109VAL H 1614 2.109 4.461 2.800 3.3307 -0.8108 0.1996 + 109VAL CA 1615 1.986 4.309 2.890 -1.0317 -0.2239 -0.0623 + 109VAL HA 1616 1.956 4.306 2.995 0.2909 -1.0820 0.3147 + 109VAL CB 1617 1.863 4.348 2.802 -0.2653 -0.7605 0.2227 + 109VAL HB 1618 1.844 4.450 2.836 0.1439 -0.0861 -1.4642 + 109VAL CG1 1619 1.907 4.359 2.652 -0.0672 0.6300 0.5287 + 109VAL HG11 1620 1.997 4.421 2.651 0.6432 -0.3761 -1.4385 + 109VAL HG12 1621 1.934 4.261 2.615 3.3794 1.1232 1.4105 + 109VAL HG13 1622 1.825 4.394 2.589 -1.1608 -1.9350 0.3985 + 109VAL CG2 1623 1.743 4.257 2.826 0.4348 -0.3897 -0.1389 + 109VAL HG21 1624 1.753 4.160 2.777 -1.0669 0.2129 -1.7656 + 109VAL HG22 1625 1.744 4.240 2.933 0.1461 0.5333 0.0189 + 109VAL HG23 1626 1.653 4.310 2.795 -0.2057 -0.8496 0.8884 + 109VAL C 1627 2.035 4.168 2.873 0.0094 0.8453 0.3276 + 109VAL O 1628 2.016 4.077 2.952 -0.2811 0.1375 -0.1835 + 110ALA N 1629 2.132 4.144 2.780 0.2692 -0.5657 0.1975 + 110ALA H 1630 2.153 4.216 2.713 -0.0908 0.7165 1.4061 + 110ALA CA 1631 2.199 4.013 2.767 -0.0733 -0.1686 -0.1375 + 110ALA HA 1632 2.113 3.946 2.772 -0.5274 0.4536 0.7398 + 110ALA CB 1633 2.273 4.007 2.632 0.0063 0.5073 -0.0787 + 110ALA HB1 1634 2.241 4.093 2.572 -1.2703 -1.0133 -1.7069 + 110ALA HB2 1635 2.379 4.026 2.647 -0.3305 2.3274 0.2017 + 110ALA HB3 1636 2.236 3.917 2.582 2.4179 -0.8204 0.3668 + 110ALA C 1637 2.277 3.967 2.893 0.6888 0.2586 0.4197 + 110ALA O 1638 2.266 3.852 2.930 -0.1186 -0.2931 0.2407 + 111TRP N 1639 2.333 4.067 2.960 -0.7103 0.2102 -0.0123 + 111TRP H 1640 2.342 4.157 2.916 1.3739 -1.0216 -2.3727 + 111TRP CA 1641 2.396 4.050 3.092 0.3634 0.1901 -0.0075 + 111TRP HA 1642 2.462 3.964 3.082 -1.2310 -0.9626 -1.0805 + 111TRP CB 1643 2.486 4.174 3.130 -0.3195 0.2862 -0.3377 + 111TRP HB1 1644 2.426 4.264 3.143 -0.1293 0.7987 -2.5106 + 111TRP HB2 1645 2.558 4.188 3.049 0.9267 0.4587 0.7728 + 111TRP CG 1646 2.569 4.144 3.257 -0.0995 0.2494 0.4178 + 111TRP CD1 1647 2.696 4.099 3.261 -0.1459 0.8544 0.4320 + 111TRP HD1 1648 2.759 4.076 3.177 -0.3976 -0.5245 0.6062 + 111TRP NE1 1649 2.724 4.075 3.396 0.5521 0.2175 0.0477 + 111TRP HE1 1650 2.814 4.048 3.433 0.0633 -2.2664 -0.4097 + 111TRP CE2 1651 2.625 4.112 3.481 -0.1006 -0.5688 0.9190 + 111TRP CZ2 1652 2.613 4.116 3.615 0.3013 -0.5669 0.7276 + 111TRP HZ2 1653 2.688 4.074 3.680 -1.1281 -0.5751 2.4708 + 111TRP CH2 1654 2.506 4.187 3.677 -0.4418 0.4718 -0.1869 + 111TRP HH2 1655 2.504 4.180 3.784 0.0564 0.4818 -0.1759 + 111TRP CZ3 1656 2.412 4.250 3.595 -0.4355 -0.4094 0.3568 + 111TRP HZ3 1657 2.338 4.310 3.645 -0.9246 0.2680 -1.1091 + 111TRP CE3 1658 2.426 4.246 3.456 0.0266 0.5535 -0.2307 + 111TRP HE3 1659 2.359 4.294 3.387 -0.9677 -0.6167 -0.1212 + 111TRP CD2 1660 2.533 4.178 3.396 -0.3183 -0.2236 -0.6472 + 111TRP C 1661 2.302 4.016 3.208 0.3583 -0.2101 0.0196 + 111TRP O 1662 2.326 3.921 3.286 0.0372 -0.2893 -0.1896 + 112ARG N 1663 2.182 4.075 3.213 0.2179 -0.3337 0.8982 + 112ARG H 1664 2.164 4.151 3.150 -0.8893 -1.7896 -0.6095 + 112ARG CA 1665 2.075 4.041 3.313 -0.1846 0.4433 0.6855 + 112ARG HA 1666 2.100 4.046 3.419 -0.0213 -0.8131 0.7126 + 112ARG CB 1667 1.960 4.131 3.285 -0.5491 -0.1782 0.3349 + 112ARG HB1 1668 1.867 4.089 3.323 -0.7540 1.9492 2.3872 + 112ARG HB2 1669 1.947 4.154 3.179 -0.5278 -2.2340 -0.1643 + 112ARG CG 1670 1.987 4.262 3.362 -0.4023 0.4564 -0.1517 + 112ARG HG1 1671 2.051 4.329 3.305 -0.0842 -0.8958 -1.4239 + 112ARG HG2 1672 2.021 4.255 3.465 -0.2246 0.1545 -0.2308 + 112ARG CD 1673 1.853 4.335 3.372 0.1960 -0.2673 -0.0174 + 112ARG HD1 1674 1.860 4.439 3.403 -0.0517 -0.6918 1.5622 + 112ARG HD2 1675 1.790 4.282 3.444 -1.0417 0.0241 -0.8536 + 112ARG NE 1676 1.769 4.332 3.249 -0.3448 -0.1952 -0.0685 + 112ARG HE 1677 1.722 4.246 3.224 2.4313 -1.8972 0.1356 + 112ARG CZ 1678 1.751 4.435 3.174 -0.0717 0.7836 0.0118 + 112ARG NH1 1679 1.823 4.547 3.180 -0.0710 0.5919 0.3299 + 112ARG HH11 1680 1.897 4.562 3.247 0.0962 -1.7112 0.7294 + 112ARG HH12 1681 1.800 4.624 3.118 -0.3155 1.0950 1.0343 + 112ARG NH2 1682 1.649 4.440 3.096 -0.0165 0.4152 0.3626 + 112ARG HH21 1683 1.580 4.366 3.095 -1.7787 1.9266 -1.8721 + 112ARG HH22 1684 1.634 4.532 3.056 2.8661 0.7122 -0.2528 + 112ARG C 1685 2.030 3.895 3.292 0.2223 -0.3014 -0.3176 + 112ARG O 1686 1.986 3.831 3.390 0.1189 -0.6483 -0.2752 + 113ASN N 1687 2.026 3.847 3.167 0.7241 -0.0336 0.1276 + 113ASN H 1688 2.051 3.908 3.090 0.6085 -1.3074 -0.9716 + 113ASN CA 1689 1.958 3.722 3.132 0.2381 0.1663 -0.5251 + 113ASN HA 1690 1.870 3.702 3.194 -1.5226 1.0946 -2.5985 + 113ASN CB 1691 1.889 3.729 2.996 0.0435 -0.1558 -0.3724 + 113ASN HB1 1692 1.839 3.636 2.971 -0.2160 0.4353 -2.2285 + 113ASN HB2 1693 1.964 3.764 2.924 -1.1680 2.4782 -0.4382 + 113ASN CG 1694 1.781 3.840 3.002 0.4124 0.1915 0.0996 + 113ASN OD1 1695 1.748 3.898 3.109 -0.0577 0.1688 0.4665 + 113ASN ND2 1696 1.717 3.861 2.893 -0.0459 0.5001 -0.0049 + 113ASN HD21 1697 1.753 3.825 2.806 -0.9674 -0.4391 -0.0278 + 113ASN HD22 1698 1.641 3.927 2.893 0.7673 1.4954 -1.8513 + 113ASN C 1699 2.048 3.598 3.132 0.2077 -0.1686 0.3084 + 113ASN O 1700 1.995 3.485 3.143 0.2356 -0.4052 0.9720 + 114ARG N 1701 2.182 3.623 3.112 -0.6485 0.0388 0.3636 + 114ARG H 1702 2.217 3.716 3.099 2.9686 -1.2512 -0.2934 + 114ARG CA 1703 2.279 3.511 3.100 -0.1896 -0.2884 0.5631 + 114ARG HA 1704 2.226 3.417 3.112 1.3203 -1.3166 -0.5255 + 114ARG CB 1705 2.350 3.521 2.967 0.1593 -0.5068 0.2052 + 114ARG HB1 1706 2.414 3.434 2.959 -0.2442 -0.7903 0.0021 + 114ARG HB2 1707 2.410 3.612 2.956 2.2483 -1.8586 -0.1869 + 114ARG CG 1708 2.263 3.520 2.845 -0.0565 -0.3907 -0.3133 + 114ARG HG1 1709 2.319 3.551 2.757 -2.8512 3.2706 -1.0027 + 114ARG HG2 1710 2.182 3.590 2.862 1.1558 0.7089 1.3313 + 114ARG CD 1711 2.205 3.377 2.813 0.2957 -0.2298 -0.5965 + 114ARG HD1 1712 2.134 3.351 2.891 -1.1047 3.5086 -0.4363 + 114ARG HD2 1713 2.284 3.303 2.804 1.1827 0.7960 -1.6269 + 114ARG NE 1714 2.124 3.380 2.689 -0.4792 0.1928 -0.1066 + 114ARG HE 1715 2.126 3.468 2.639 0.3819 0.6813 0.7382 + 114ARG CZ 1716 2.085 3.275 2.625 0.3247 0.5726 0.3369 + 114ARG NH1 1717 2.082 3.156 2.673 -0.0345 0.4355 -0.1036 + 114ARG HH11 1718 2.143 3.144 2.753 0.0245 2.0696 0.1230 + 114ARG HH12 1719 2.017 3.088 2.637 1.2726 -0.1879 -1.4124 + 114ARG NH2 1720 2.035 3.296 2.509 -0.3444 -0.1341 0.2279 + 114ARG HH21 1721 2.033 3.387 2.466 0.9363 0.1755 0.7842 + 114ARG HH22 1722 2.001 3.214 2.460 3.9210 -2.1640 0.1923 + 114ARG C 1723 2.379 3.520 3.217 -0.0734 -0.5233 -0.3408 + 114ARG O 1724 2.410 3.420 3.274 0.3723 0.4214 0.6166 + 115CYS N 1725 2.417 3.639 3.258 -0.2840 0.1652 -0.7444 + 115CYS H 1726 2.392 3.713 3.194 0.2895 1.0276 -0.0028 + 115CYS CA 1727 2.542 3.656 3.339 -0.6931 -0.3747 0.5313 + 115CYS HA 1728 2.592 3.560 3.348 -1.6380 -1.1559 -1.7110 + 115CYS CB 1729 2.623 3.768 3.256 0.2517 0.5105 0.2848 + 115CYS HB1 1730 2.723 3.758 3.298 0.8022 -2.0411 -1.3512 + 115CYS HB2 1731 2.573 3.863 3.272 0.5763 0.5808 0.8858 + 115CYS SG 1732 2.653 3.745 3.081 0.1266 0.5257 -0.4212 + 115CYS C 1733 2.525 3.709 3.483 -0.1023 0.3548 0.5445 + 115CYS O 1734 2.620 3.712 3.558 0.4998 -0.2493 0.3703 + 116LYS N 1735 2.410 3.756 3.525 0.4006 0.1294 0.2507 + 116LYS H 1736 2.332 3.742 3.463 -1.0518 -4.0162 2.6094 + 116LYS CA 1737 2.386 3.813 3.661 1.1986 0.0208 0.0024 + 116LYS HA 1738 2.464 3.886 3.686 1.5155 -1.2463 3.2938 + 116LYS CB 1739 2.251 3.892 3.656 0.3926 -0.5107 0.1839 + 116LYS HB1 1740 2.176 3.816 3.637 -1.0165 1.1954 -1.4758 + 116LYS HB2 1741 2.239 3.958 3.570 -2.4902 1.7324 2.1275 + 116LYS CG 1742 2.222 3.972 3.791 -0.1382 0.7480 0.2118 + 116LYS HG1 1743 2.282 4.062 3.795 0.5604 0.2975 0.1096 + 116LYS HG2 1744 2.250 3.904 3.872 0.9334 1.1833 0.2303 + 116LYS CD 1745 2.073 4.000 3.812 -0.9615 -0.3916 -0.1569 + 116LYS HD1 1746 2.010 3.912 3.817 -1.2295 -0.1561 0.8199 + 116LYS HD2 1747 2.043 4.064 3.729 1.9980 0.2022 -0.8928 + 116LYS CE 1748 2.048 4.079 3.943 -0.4315 0.0409 -0.2691 + 116LYS HE1 1749 2.098 4.175 3.932 1.1551 -0.8505 -1.3103 + 116LYS HE2 1750 2.084 4.022 4.029 0.7307 -1.0435 -1.4252 + 116LYS NZ 1751 1.904 4.101 3.964 0.2547 0.1357 0.5671 + 116LYS HZ1 1752 1.870 4.172 3.901 0.7310 0.0638 0.2273 + 116LYS HZ2 1753 1.854 4.013 3.963 -0.6365 0.5724 -2.4983 + 116LYS HZ3 1754 1.895 4.141 4.056 0.7716 1.1735 0.1775 + 116LYS C 1755 2.393 3.701 3.767 0.5291 0.2312 0.6170 + 116LYS O 1756 2.306 3.615 3.773 -0.2930 0.5935 0.1151 + 117GLY N 1757 2.501 3.705 3.843 0.5179 -0.0549 0.0903 + 117GLY H 1758 2.570 3.777 3.827 0.8358 -0.1196 1.1496 + 117GLY CA 1759 2.519 3.605 3.946 0.2700 0.0032 -0.2920 + 117GLY HA1 1760 2.423 3.585 3.994 0.2070 -1.7891 -1.1104 + 117GLY HA2 1761 2.586 3.649 4.020 -1.6540 0.3868 1.2996 + 117GLY C 1762 2.563 3.464 3.901 0.1646 -0.0411 0.1777 + 117GLY O 1763 2.584 3.376 3.984 0.3912 0.0131 0.1723 + 118THR N 1764 2.571 3.443 3.776 -0.1576 -0.0206 0.5492 + 118THR H 1765 2.550 3.521 3.715 1.5170 -0.1097 -0.1920 + 118THR CA 1766 2.628 3.317 3.714 1.0681 -0.0572 0.1135 + 118THR HA 1767 2.595 3.231 3.770 0.1819 0.9247 1.1496 + 118THR CB 1768 2.585 3.313 3.568 0.4777 0.4737 0.1429 + 118THR HB 1769 2.646 3.388 3.517 -0.9267 0.0801 -2.2774 + 118THR CG2 1770 2.596 3.179 3.494 0.4579 -0.2816 0.6495 + 118THR HG21 1771 2.524 3.112 3.540 -0.7514 -0.4211 -1.3159 + 118THR HG22 1772 2.572 3.202 3.390 -0.8735 0.0135 1.0079 + 118THR HG23 1773 2.697 3.139 3.496 0.0706 -1.4943 -1.2881 + 118THR OG1 1774 2.458 3.357 3.547 -0.0353 0.1045 0.3902 + 118THR HG1 1775 2.458 3.376 3.453 -0.8867 0.0024 0.3593 + 118THR C 1776 2.778 3.317 3.729 0.0997 -0.7508 0.0589 + 118THR O 1777 2.842 3.422 3.754 0.1955 -0.1486 -0.0749 + 119ASP N 1778 2.835 3.200 3.725 -0.5013 0.3567 0.6346 + 119ASP H 1779 2.776 3.123 3.698 0.7942 -1.2580 2.1889 + 119ASP CA 1780 2.987 3.195 3.739 0.0451 -0.0386 -0.0001 + 119ASP HA 1781 3.018 3.277 3.804 0.1918 -0.7922 0.9068 + 119ASP CB 1782 3.031 3.061 3.795 0.3371 0.2089 -0.6194 + 119ASP HB1 1783 2.992 2.980 3.733 1.5190 -1.5544 0.8320 + 119ASP HB2 1784 2.998 3.044 3.897 -0.6529 1.7416 -0.6444 + 119ASP CG 1785 3.184 3.044 3.788 0.0167 -0.2160 -0.3366 + 119ASP OD1 1786 3.261 3.133 3.835 0.2853 0.5122 0.3945 + 119ASP OD2 1787 3.228 2.943 3.733 0.2952 -0.3131 0.1834 + 119ASP C 1788 3.056 3.237 3.604 0.2121 0.7972 0.5301 + 119ASP O 1789 3.097 3.154 3.516 -0.1023 -0.5286 0.5140 + 120VAL N 1790 3.072 3.368 3.588 0.3085 -0.2652 -0.5399 + 120VAL H 1791 3.030 3.433 3.653 0.7380 -1.1164 0.6488 + 120VAL CA 1792 3.106 3.413 3.450 0.2609 0.0428 0.1339 + 120VAL HA 1793 3.052 3.345 3.386 2.2229 0.5849 -2.2369 + 120VAL CB 1794 3.053 3.557 3.430 -0.0842 1.1339 -0.7254 + 120VAL HB 1795 3.084 3.585 3.329 -0.5485 0.0682 -1.1834 + 120VAL CG1 1796 2.894 3.555 3.419 0.0628 0.0753 0.4028 + 120VAL HG11 1797 2.863 3.491 3.336 -1.3342 1.7171 -0.4105 + 120VAL HG12 1798 2.849 3.522 3.513 -0.2451 4.4416 1.9804 + 120VAL HG13 1799 2.864 3.657 3.398 -1.3605 -0.9100 -3.1450 + 120VAL CG2 1800 3.098 3.661 3.532 -1.2292 0.3548 0.5246 + 120VAL HG21 1801 3.067 3.765 3.521 -1.0057 0.6330 2.2162 + 120VAL HG22 1802 3.069 3.628 3.632 -3.5988 2.2655 0.5402 + 120VAL HG23 1803 3.206 3.676 3.528 -0.9933 -0.7593 1.9800 + 120VAL C 1804 3.253 3.402 3.422 -0.1001 -0.5488 -0.5689 + 120VAL O 1805 3.291 3.429 3.310 0.1678 0.3375 0.0493 + 121GLN N 1806 3.337 3.356 3.515 -0.3085 1.0891 0.1800 + 121GLN H 1807 3.304 3.347 3.610 1.5789 1.2840 0.9023 + 121GLN CA 1808 3.479 3.325 3.496 -0.2938 0.6116 -0.1377 + 121GLN HA 1809 3.516 3.418 3.454 -0.1486 -1.1438 -4.4155 + 121GLN CB 1810 3.538 3.302 3.635 0.1458 -0.8802 -0.2330 + 121GLN HB1 1811 3.502 3.201 3.654 -4.1396 -0.3627 -3.8873 + 121GLN HB2 1812 3.497 3.360 3.718 -0.2991 0.4196 -1.3137 + 121GLN CG 1813 3.690 3.324 3.647 -0.6344 -0.1489 -0.2162 + 121GLN HG1 1814 3.714 3.431 3.641 -0.5705 -0.0578 1.2139 + 121GLN HG2 1815 3.744 3.278 3.564 -2.0954 -2.3120 -0.0306 + 121GLN CD 1816 3.737 3.274 3.786 0.4270 -0.2544 -0.0492 + 121GLN OE1 1817 3.685 3.307 3.890 -0.2979 -0.2865 0.1993 + 121GLN NE2 1818 3.830 3.185 3.798 -0.0534 -0.0341 -0.1142 + 121GLN HE21 1819 3.872 3.144 3.716 -1.5205 1.4015 -1.6601 + 121GLN HE22 1820 3.862 3.166 3.892 0.1852 0.6694 -0.0414 + 121GLN C 1821 3.500 3.205 3.401 -0.4689 0.0780 0.8507 + 121GLN O 1822 3.601 3.193 3.330 0.0412 -0.4838 -0.3470 + 122ALA N 1823 3.400 3.118 3.383 -0.2915 0.6520 0.0397 + 122ALA H 1824 3.325 3.125 3.451 -0.2423 0.1836 0.1461 + 122ALA CA 1825 3.397 3.004 3.289 -0.5675 0.2488 -0.4573 + 122ALA HA 1826 3.474 2.935 3.324 -0.5805 -0.3909 -1.6347 + 122ALA CB 1827 3.258 2.935 3.304 -0.8376 -0.1681 -0.0366 + 122ALA HB1 1828 3.253 2.835 3.260 -0.5740 0.5772 -1.8773 + 122ALA HB2 1829 3.226 2.916 3.406 2.3001 -2.9908 0.5950 + 122ALA HB3 1830 3.182 2.986 3.245 -1.2895 -1.1223 -0.2920 + 122ALA C 1831 3.433 3.054 3.150 -0.4615 0.9395 0.5825 + 122ALA O 1832 3.511 2.995 3.078 -0.2142 -0.3193 0.2498 + 123TRP N 1833 3.384 3.177 3.110 0.1910 0.1844 -0.3814 + 123TRP H 1834 3.313 3.211 3.173 0.6925 -0.3093 0.4717 + 123TRP CA 1835 3.395 3.241 2.978 -0.4341 -0.1682 -0.1822 + 123TRP HA 1836 3.392 3.159 2.907 0.0697 0.3574 -0.8166 + 123TRP CB 1837 3.281 3.341 2.943 -0.2317 -0.2234 0.0493 + 123TRP HB1 1838 3.291 3.380 2.842 0.2102 0.2925 0.2805 + 123TRP HB2 1839 3.307 3.426 3.007 -0.6107 -0.3973 0.4345 + 123TRP CG 1840 3.137 3.296 2.950 0.1386 0.1351 -0.1105 + 123TRP CD1 1841 3.056 3.301 3.061 0.1825 0.9512 0.6407 + 123TRP HD1 1842 3.088 3.352 3.150 -0.7108 1.1002 0.8873 + 123TRP NE1 1843 2.943 3.223 3.039 0.1034 0.0884 0.9360 + 123TRP HE1 1844 2.872 3.200 3.106 -1.2419 -1.9447 -1.0431 + 123TRP CE2 1845 2.936 3.184 2.905 -0.3924 0.6797 -0.0164 + 123TRP CZ2 1846 2.833 3.124 2.826 -0.7535 -0.0184 -0.5005 + 123TRP HZ2 1847 2.741 3.089 2.871 -0.0728 0.0940 1.0213 + 123TRP CH2 1848 2.867 3.081 2.695 0.0995 -0.0327 -0.0906 + 123TRP HH2 1849 2.799 3.031 2.628 0.8086 0.4767 -1.2263 + 123TRP CZ3 1850 2.990 3.128 2.636 -0.1895 -0.8247 0.3385 + 123TRP HZ3 1851 3.011 3.102 2.533 0.9256 1.9645 -0.2226 + 123TRP CE3 1852 3.088 3.196 2.709 0.4290 -0.5035 0.2571 + 123TRP HE3 1853 3.182 3.229 2.666 0.3342 -1.7310 -0.9370 + 123TRP CD2 1854 3.060 3.229 2.848 0.6483 -0.1126 -0.0919 + 123TRP C 1855 3.540 3.300 2.960 0.1211 -0.1956 -0.0167 + 123TRP O 1856 3.566 3.342 2.850 0.1739 -0.6884 -0.2982 + 124ILE N 1857 3.622 3.297 3.059 -0.7804 0.3271 0.3439 + 124ILE H 1858 3.592 3.255 3.146 -0.5405 1.0862 0.8046 + 124ILE CA 1859 3.766 3.335 3.067 0.0337 -0.3778 -0.7277 + 124ILE HA 1860 3.800 3.343 2.964 -1.5213 -0.1271 -1.2385 + 124ILE CB 1861 3.784 3.471 3.136 0.5379 -0.0975 0.1044 + 124ILE HB 1862 3.889 3.497 3.149 0.4582 1.5811 -2.0068 + 124ILE CG2 1863 3.737 3.578 3.039 -0.0684 0.6328 0.5570 + 124ILE HG21 1864 3.747 3.679 3.078 0.3917 0.2168 1.5647 + 124ILE HG22 1865 3.781 3.564 2.940 1.1311 -0.9730 1.2725 + 124ILE HG23 1866 3.628 3.578 3.029 0.0921 2.6174 -2.1705 + 124ILE CG1 1867 3.716 3.479 3.270 -0.2347 -0.0847 -0.3592 + 124ILE HG11 1868 3.751 3.394 3.327 3.1054 0.6153 -1.1324 + 124ILE HG12 1869 3.611 3.487 3.241 0.1749 0.5512 -1.8145 + 124ILE CD 1870 3.752 3.602 3.349 -0.3960 0.3158 -0.1225 + 124ILE HD1 1871 3.710 3.590 3.448 -1.0793 0.6113 -0.3685 + 124ILE HD2 1872 3.859 3.607 3.364 -0.5256 1.5736 0.4536 + 124ILE HD3 1873 3.729 3.698 3.303 -1.2974 0.4450 0.5604 + 124ILE C 1874 3.855 3.226 3.136 -0.8214 -0.0336 -0.6357 + 124ILE O 1875 3.972 3.247 3.164 0.0272 0.4530 0.2159 + 125ARG N 1876 3.802 3.108 3.159 -0.0098 0.3518 0.6203 + 125ARG H 1877 3.703 3.096 3.146 0.0933 -0.7835 0.7223 + 125ARG CA 1878 3.887 2.991 3.208 -0.1810 -0.4345 -0.4132 + 125ARG HA 1879 3.970 3.021 3.271 0.6058 -1.3357 -0.9808 + 125ARG CB 1880 3.797 2.892 3.289 -0.0780 1.0337 0.1456 + 125ARG HB1 1881 3.849 2.796 3.284 0.0789 1.0982 0.5114 + 125ARG HB2 1882 3.701 2.868 3.242 -0.5916 1.2014 1.0840 + 125ARG CG 1883 3.767 2.926 3.435 0.7507 -0.2915 -0.0228 + 125ARG HG1 1884 3.673 2.982 3.435 1.0003 0.1366 0.8718 + 125ARG HG2 1885 3.841 2.991 3.481 -0.6131 1.4713 -0.1933 + 125ARG CD 1886 3.747 2.806 3.533 -0.1815 -0.9430 -0.1590 + 125ARG HD1 1887 3.847 2.766 3.545 -0.6495 -1.9912 0.3804 + 125ARG HD2 1888 3.670 2.737 3.497 -1.1631 0.1341 -0.2057 + 125ARG NE 1889 3.702 2.860 3.661 0.2293 0.1710 -0.1213 + 125ARG HE 1890 3.768 2.868 3.737 -0.0452 1.4347 0.0072 + 125ARG CZ 1891 3.577 2.907 3.690 -0.0728 -0.0916 0.7947 + 125ARG NH1 1892 3.478 2.887 3.610 -0.2699 -0.1116 -0.8032 + 125ARG HH11 1893 3.488 2.823 3.533 -1.4198 -0.1227 -0.9527 + 125ARG HH12 1894 3.388 2.927 3.633 -0.4284 -1.6176 1.5732 + 125ARG NH2 1895 3.558 2.980 3.794 -0.6865 0.6319 -0.1059 + 125ARG HH21 1896 3.633 2.991 3.861 0.7175 1.6021 -1.7545 + 125ARG HH22 1897 3.460 3.004 3.800 -1.1252 -0.9680 -0.4338 + 125ARG C 1898 3.948 2.920 3.086 -1.0606 -0.1604 0.0272 + 125ARG O 1899 3.888 2.922 2.980 -0.2575 -0.1685 -0.1898 + 126GLY N 1900 4.062 2.857 3.106 -0.4948 -0.4472 0.0167 + 126GLY H 1901 4.099 2.858 3.200 1.5317 0.8820 -0.7120 + 126GLY CA 1902 4.147 2.810 2.995 -0.5804 -0.4522 0.1416 + 126GLY HA1 1903 4.084 2.757 2.924 -0.4621 0.4304 -0.6441 + 126GLY HA2 1904 4.225 2.742 3.031 0.2580 0.3895 -0.0344 + 126GLY C 1905 4.215 2.924 2.914 -0.1167 0.6210 -0.0618 + 126GLY O 1906 4.210 2.918 2.797 0.1412 0.3951 0.5278 + 127CYS N 1907 4.273 3.023 2.981 -0.9311 0.5859 -0.4557 + 127CYS H 1908 4.265 3.014 3.082 1.4766 -0.2660 -0.2650 + 127CYS CA 1909 4.344 3.151 2.934 0.3429 0.0162 -0.0011 + 127CYS HA 1910 4.367 3.145 2.828 -0.4067 1.6642 -0.2883 + 127CYS CB 1911 4.254 3.274 2.958 0.1037 0.3775 0.2195 + 127CYS HB1 1912 4.312 3.363 2.933 0.8215 -0.1598 -0.0542 + 127CYS HB2 1913 4.232 3.293 3.063 0.4069 0.5263 0.2568 + 127CYS SG 1914 4.097 3.277 2.862 0.2463 -0.1465 0.1587 + 127CYS C 1915 4.475 3.176 3.006 -0.2215 -0.7599 -0.7977 + 127CYS O 1916 4.492 3.145 3.126 0.2821 0.5545 -0.0261 + 128ARG N 1917 4.579 3.233 2.936 -0.4858 0.8712 0.0242 + 128ARG H 1918 4.575 3.233 2.835 -1.8286 -0.3218 0.0473 + 128ARG CA 1919 4.696 3.292 2.999 0.1923 -0.5799 -0.4437 + 128ARG HA 1920 4.732 3.217 3.069 0.3653 0.1753 0.2877 + 128ARG CB 1921 4.815 3.297 2.900 0.1542 -0.3626 0.1793 + 128ARG HB1 1922 4.903 3.340 2.948 0.0970 -0.1280 0.0792 + 128ARG HB2 1923 4.787 3.356 2.812 1.1697 0.8010 0.5979 + 128ARG CG 1924 4.859 3.160 2.847 0.3977 -0.5206 0.2691 + 128ARG HG1 1925 4.773 3.116 2.798 -0.4766 1.4030 0.0047 + 128ARG HG2 1926 4.874 3.087 2.927 0.1915 -1.7093 -0.7428 + 128ARG CD 1927 4.978 3.156 2.746 -0.2913 0.0768 0.0450 + 128ARG HD1 1928 4.948 3.234 2.676 -0.2082 0.4426 0.4123 + 128ARG HD2 1929 4.985 3.056 2.704 -0.1201 -1.2661 2.9984 + 128ARG NE 1930 5.099 3.187 2.822 1.0192 0.0203 -0.0900 + 128ARG HE 1931 5.081 3.220 2.915 -1.2092 2.3350 -1.2359 + 128ARG CZ 1932 5.228 3.174 2.777 0.5227 0.1315 0.7314 + 128ARG NH1 1933 5.257 3.155 2.649 0.7411 0.3450 0.1515 + 128ARG HH11 1934 5.187 3.138 2.578 -0.8845 0.7374 1.5894 + 128ARG HH12 1935 5.351 3.136 2.618 -0.0356 1.3139 -3.2664 + 128ARG NH2 1936 5.326 3.188 2.856 0.4176 1.0176 -0.3463 + 128ARG HH21 1937 5.314 3.218 2.952 0.2124 -1.1349 0.3462 + 128ARG HH22 1938 5.420 3.182 2.819 -0.0073 -2.0844 -1.2151 + 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1956 4.111 3.491 3.136 -0.3720 -0.2120 0.7932 + 129LEU HD23 1957 4.058 3.648 3.183 1.2239 0.1936 1.1200 + 129LEU C 1958 4.532 3.535 3.384 0.3503 0.5021 0.1393 + 129LEU OC1 1959 4.473 3.439 3.442 0.0069 0.3986 0.3605 + 129LEU OC2 1960 4.611 3.611 3.442 -0.5984 0.7761 -0.0181 + 130SOL OW 1961 5.093 2.197 4.945 -0.8191 -0.2151 0.2015 + 130SOL HW1 1962 5.182 2.203 4.911 0.4319 -3.2204 2.4916 + 130SOL HW2 1963 5.068 2.287 4.962 1.1487 0.8337 -1.8957 + 131SOL OW 1964 3.613 2.014 0.122 0.2140 -0.6261 -0.0786 + 131SOL HW1 1965 3.580 1.968 0.199 0.9704 0.3578 0.8593 + 131SOL HW2 1966 3.708 2.009 0.130 0.3025 0.1736 -0.5224 + 132SOL OW 1967 2.696 2.821 4.836 0.3254 0.3661 0.4663 + 132SOL HW1 1968 2.729 2.908 4.856 0.8414 0.4225 -0.5471 + 132SOL HW2 1969 2.668 2.827 4.744 0.1554 -0.4710 0.4558 + 133SOL OW 1970 1.946 2.822 1.394 -0.4621 0.7479 0.4325 + 133SOL HW1 1971 1.910 2.734 1.405 -0.2025 0.7695 1.6329 + 133SOL HW2 1972 1.915 2.850 1.308 0.2834 -0.9001 -0.4156 + 134SOL OW 1973 6.196 3.248 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0.0670 + 752SOL HW1 3828 5.583 2.043 3.175 -0.1340 -0.1311 -0.0171 + 752SOL HW2 3829 5.679 2.116 3.266 -2.3505 2.6552 0.2092 + 753SOL OW 3830 6.148 4.320 0.681 -0.1251 0.0366 0.2906 + 753SOL HW1 3831 6.216 4.328 0.614 1.4378 -0.4541 1.7553 + 753SOL HW2 3832 6.122 4.410 0.700 0.8407 0.2904 0.4242 + 754SOL OW 3833 0.009 2.619 4.203 0.0736 -0.2562 0.5444 + 754SOL HW1 3834 0.034 2.551 4.265 -0.5894 0.2971 1.4504 + 754SOL HW2 3835 0.057 2.697 4.231 0.7625 -0.3140 -0.4321 + 755SOL OW 3836 2.453 4.307 0.325 -0.0159 -0.1759 -0.2603 + 755SOL HW1 3837 2.542 4.343 0.327 0.0715 -0.4240 1.2253 + 755SOL HW2 3838 2.403 4.371 0.273 0.8045 0.4667 -0.2943 + 756SOL OW 3839 1.056 1.307 0.498 0.1268 -0.1318 0.0520 + 756SOL HW1 3840 1.002 1.275 0.426 -0.9100 -1.8505 1.5095 + 756SOL HW2 3841 1.108 1.231 0.524 -0.2842 0.1319 1.7709 + 757SOL OW 3842 6.249 6.176 3.790 -0.2618 -0.3395 -0.2647 + 757SOL HW1 3843 6.250 6.192 3.696 -1.1682 -0.2381 -0.2618 + 757SOL HW2 3844 6.160 6.148 3.809 -0.0187 -0.6096 0.5275 + 758SOL OW 3845 0.749 4.333 0.817 0.1222 0.3043 0.1729 + 758SOL HW1 3846 0.751 4.372 0.905 -3.2231 -0.6927 0.8493 + 758SOL HW2 3847 0.737 4.407 0.758 -1.0075 0.7392 0.9213 + 759SOL OW 3848 6.056 5.287 0.979 0.4769 0.3219 -0.5502 + 759SOL HW1 3849 6.033 5.361 0.923 1.3267 1.7039 0.8168 + 759SOL HW2 3850 6.138 5.254 0.943 1.2090 1.4350 0.0290 + 760SOL OW 3851 0.530 3.979 2.659 -0.4029 0.0677 -0.4133 + 760SOL HW1 3852 0.619 3.975 2.626 -0.3596 -0.5622 -0.2247 + 760SOL HW2 3853 0.485 4.039 2.599 0.0169 0.0047 -0.7969 + 761SOL OW 3854 1.137 5.736 3.260 -0.4582 -0.4539 -0.2944 + 761SOL HW1 3855 1.179 5.766 3.180 -0.2206 2.6748 0.8718 + 761SOL HW2 3856 1.044 5.730 3.238 -0.7065 2.4558 -0.3662 + 762SOL OW 3857 6.014 2.720 3.329 -0.1102 0.4239 -0.1976 + 762SOL HW1 3858 5.995 2.750 3.241 0.6857 0.2336 -0.4435 + 762SOL HW2 3859 5.942 2.754 3.383 -0.2603 1.0741 -0.8034 + 763SOL OW 3860 1.503 4.313 0.976 0.2504 0.0697 -0.2494 + 763SOL HW1 3861 1.501 4.406 0.999 1.0868 0.4969 -1.7512 + 763SOL HW2 3862 1.529 4.268 1.056 -1.6420 0.9457 0.9253 + 764SOL OW 3863 0.191 4.247 0.211 0.2978 0.4917 0.3237 + 764SOL HW1 3864 0.163 4.166 0.254 0.0264 0.1762 -0.4231 + 764SOL HW2 3865 0.163 4.317 0.271 2.0398 -0.0109 1.7974 + 765SOL OW 3866 5.490 4.047 3.620 -0.0183 0.1531 -0.0687 + 765SOL HW1 3867 5.544 4.087 3.689 -1.0395 -1.5028 1.7958 + 765SOL HW2 3868 5.539 3.970 3.592 -0.1128 0.2139 -0.4046 + 766SOL OW 3869 1.480 5.544 4.971 0.4132 -0.4067 -0.2531 + 766SOL HW1 3870 1.521 5.512 5.052 2.6529 -1.3163 -1.6665 + 766SOL HW2 3871 1.386 5.546 4.992 1.0460 1.9800 3.2089 + 767SOL OW 3872 2.001 5.066 4.207 0.1737 0.0906 0.3570 + 767SOL HW1 3873 1.960 4.984 4.237 0.4420 -0.2555 -0.2062 + 767SOL HW2 3874 2.058 5.092 4.280 0.3901 -0.4406 0.3813 + 768SOL OW 3875 5.145 4.983 1.692 0.2287 0.5791 0.0943 + 768SOL HW1 3876 5.223 5.038 1.695 0.8123 -0.2413 0.1615 + 768SOL HW2 3877 5.123 4.978 1.599 1.5561 -0.9704 -0.1636 + 769SOL OW 3878 0.690 3.471 4.369 -0.2820 0.0364 -0.2079 + 769SOL HW1 3879 0.693 3.496 4.462 1.2784 -3.0654 0.7076 + 769SOL HW2 3880 0.604 3.431 4.358 -0.2131 -0.2069 0.1054 + 770SOL OW 3881 2.205 3.477 4.140 -0.0184 0.3808 -0.1586 + 770SOL HW1 3882 2.219 3.385 4.117 0.2141 0.1937 0.6998 + 770SOL HW2 3883 2.137 3.474 4.208 -0.0910 0.8536 -0.2105 + 771SOL OW 3884 2.916 0.548 5.340 -0.4185 0.2891 -0.0216 + 771SOL HW1 3885 2.956 0.510 5.262 -1.7239 -0.9270 -0.1468 + 771SOL HW2 3886 2.990 0.573 5.395 0.5375 -1.4696 -0.4208 + 772SOL OW 3887 2.595 0.071 3.382 0.9763 0.2661 0.0216 + 772SOL HW1 3888 2.671 0.098 3.332 1.2631 0.0636 0.3446 + 772SOL HW2 3889 2.531 0.045 3.316 1.1690 0.4763 -0.2503 + 773SOL OW 3890 6.471 0.817 2.199 0.1867 0.5827 0.2317 + 773SOL HW1 3891 6.514 0.871 2.266 -0.2251 0.8190 0.3070 + 773SOL HW2 3892 6.527 0.825 2.122 -0.2612 1.7150 0.0095 + 774SOL OW 3893 4.629 0.194 2.755 -0.2452 0.7228 0.2097 + 774SOL HW1 3894 4.569 0.230 2.689 -1.3540 0.8103 1.2317 + 774SOL HW2 3895 4.598 0.104 2.768 0.1085 0.6324 0.4401 + 775SOL OW 3896 2.400 5.087 4.983 0.0781 0.2754 0.1802 + 775SOL HW1 3897 2.354 5.041 5.053 0.0697 1.2442 0.8287 + 775SOL HW2 3898 2.470 5.027 4.956 -0.9354 -0.7919 -0.1375 + 776SOL OW 3899 1.980 0.183 3.086 0.0360 -0.1962 0.4113 + 776SOL HW1 3900 1.904 0.198 3.142 -0.5893 -0.7368 -0.2718 + 776SOL HW2 3901 1.944 0.146 3.005 0.9741 0.0113 -0.1244 + 777SOL OW 3902 4.539 3.175 4.632 0.3137 -0.6748 -0.4226 + 777SOL HW1 3903 4.510 3.131 4.552 2.3312 -1.4813 -0.7802 + 777SOL HW2 3904 4.611 3.231 4.604 -1.0553 1.5571 0.3444 + 778SOL OW 3905 0.452 0.791 0.440 -0.9803 0.1568 -0.4935 + 778SOL HW1 3906 0.376 0.847 0.458 -0.1197 0.8864 1.0223 + 778SOL HW2 3907 0.511 0.847 0.390 0.6971 1.3768 2.5829 + 779SOL OW 3908 0.188 3.121 4.987 -0.3651 -0.1581 -0.0339 + 779SOL HW1 3909 0.162 3.048 4.931 -0.0207 -1.3297 1.2624 + 779SOL HW2 3910 0.117 3.130 5.051 1.0483 -1.6217 1.8716 + 780SOL OW 3911 0.089 2.403 3.945 -0.2643 0.0106 0.0970 + 780SOL HW1 3912 0.134 2.363 3.871 -1.1607 -0.9159 0.0243 + 780SOL HW2 3913 0.020 2.456 3.906 -0.1513 0.2622 0.2398 + 781SOL OW 3914 1.180 5.298 4.118 -0.3924 -0.0622 0.3300 + 781SOL HW1 3915 1.239 5.237 4.162 -0.3229 -0.0798 0.2113 + 781SOL HW2 3916 1.232 5.336 4.048 -0.3675 0.2964 0.5377 + 782SOL OW 3917 1.887 0.944 4.678 0.2746 -0.0513 0.6914 + 782SOL HW1 3918 1.838 0.965 4.598 -1.9729 4.3801 2.8565 + 782SOL HW2 3919 1.962 1.003 4.677 0.7447 -0.6058 1.4747 + 783SOL OW 3920 1.566 4.267 1.448 0.8014 0.3003 0.0027 + 783SOL HW1 3921 1.619 4.278 1.370 2.1696 -0.4667 0.7744 + 783SOL HW2 3922 1.511 4.191 1.430 -1.3894 2.1030 -1.4666 + 784SOL OW 3923 1.680 0.660 3.396 -0.3852 0.0226 -0.2253 + 784SOL HW1 3924 1.688 0.755 3.405 0.7650 -0.2055 1.8704 + 784SOL HW2 3925 1.671 0.645 3.302 1.2008 2.1041 -0.7772 + 785SOL OW 3926 6.261 3.542 4.098 -0.0049 0.1861 0.6079 + 785SOL HW1 3927 6.166 3.546 4.086 0.0699 1.4681 0.2507 + 785SOL HW2 3928 6.280 3.613 4.160 0.6967 -0.2221 0.8725 + 786SOL OW 3929 3.412 0.967 2.503 -0.5646 -0.0194 -0.3400 + 786SOL HW1 3930 3.404 0.940 2.595 -0.8870 -0.5208 -0.5153 + 786SOL HW2 3931 3.359 1.047 2.497 -1.8840 -0.8751 -0.4591 + 787SOL OW 3932 0.390 5.952 0.967 -0.0345 -0.0326 -0.5133 + 787SOL HW1 3933 0.482 5.979 0.968 0.1644 -0.6149 -1.5827 + 787SOL HW2 3934 0.343 6.028 1.000 0.9032 -0.0768 1.0531 + 788SOL OW 3935 3.996 0.994 0.179 0.1728 0.0447 0.4337 + 788SOL HW1 3936 3.984 0.963 0.089 1.3024 -0.4609 0.4370 + 788SOL HW2 3937 3.929 1.061 0.191 1.0700 1.3467 -1.3625 + 789SOL OW 3938 4.238 1.321 5.197 -0.1438 -0.3427 -0.1161 + 789SOL HW1 3939 4.279 1.337 5.112 -1.7305 1.5420 -0.6181 + 789SOL HW2 3940 4.275 1.389 5.254 0.7459 -1.4591 0.6714 + 790SOL OW 3941 0.155 6.026 1.820 0.5467 0.6367 0.1064 + 790SOL HW1 3942 0.179 5.967 1.892 0.7662 1.7624 0.9871 + 790SOL HW2 3943 0.070 5.994 1.790 1.2590 -0.9462 -0.3650 + 791SOL OW 3944 0.754 3.769 3.220 0.7573 -0.1409 0.0966 + 791SOL HW1 3945 0.792 3.845 3.176 -0.7616 1.5217 1.5133 + 791SOL HW2 3946 0.682 3.742 3.163 -1.2924 2.0928 1.4146 + 792SOL OW 3947 4.177 1.806 3.707 0.2609 -0.4706 0.1987 + 792SOL HW1 3948 4.210 1.759 3.631 -0.4724 -0.7121 0.0230 + 792SOL HW2 3949 4.178 1.898 3.681 2.3105 -0.2801 0.7702 + 793SOL OW 3950 2.302 5.921 3.706 0.0941 -0.0238 -0.2862 + 793SOL HW1 3951 2.296 5.882 3.619 -0.8244 -1.2463 0.2953 + 793SOL HW2 3952 2.387 5.964 3.707 -0.3284 0.9150 -2.1367 + 794SOL OW 3953 2.989 1.911 1.623 -0.2219 0.0260 -0.5641 + 794SOL HW1 3954 3.063 1.850 1.612 -0.0999 0.0362 0.1733 + 794SOL HW2 3955 3.019 1.973 1.689 -0.4248 0.7749 -1.1627 + 795SOL OW 3956 2.958 5.865 3.932 0.7062 -0.5137 -0.0093 + 795SOL HW1 3957 2.928 5.944 3.977 -0.9877 -0.0981 -1.6909 + 795SOL HW2 3958 2.916 5.793 3.979 -1.0481 -0.0875 -0.8141 + 796SOL OW 3959 4.250 2.836 4.627 0.2107 0.0147 -0.3289 + 796SOL HW1 3960 4.191 2.905 4.597 -1.6846 -0.0485 2.7447 + 796SOL HW2 3961 4.194 2.759 4.635 1.8677 -1.4252 -1.8633 + 797SOL OW 3962 0.601 0.719 0.056 0.1459 0.3232 -0.0499 + 797SOL HW1 3963 0.561 0.645 0.010 -0.9734 -0.6357 2.2988 + 797SOL HW2 3964 0.694 0.697 0.061 -0.0153 -0.4369 -0.2795 + 798SOL OW 3965 2.750 3.086 4.908 0.6551 0.0061 -0.5120 + 798SOL HW1 3966 2.662 3.065 4.941 -0.2545 0.4033 -2.5101 + 798SOL HW2 3967 2.769 3.172 4.946 1.1370 -0.9755 1.6150 + 799SOL OW 3968 0.565 5.013 2.047 -0.6952 -0.0828 0.2590 + 799SOL HW1 3969 0.548 4.928 2.008 -1.9149 0.3458 -0.2049 + 799SOL HW2 3970 0.499 5.021 2.116 0.7023 -0.3459 1.6666 + 800SOL OW 3971 1.395 0.544 1.137 0.0399 0.2400 0.2933 + 800SOL HW1 3972 1.382 0.639 1.139 -1.5414 0.0494 1.0757 + 800SOL HW2 3973 1.463 0.527 1.202 -0.5499 0.7347 1.0507 + 801SOL OW 3974 3.923 3.403 4.724 0.3842 0.2840 -0.4910 + 801SOL HW1 3975 3.952 3.332 4.781 0.8932 0.9706 0.1418 + 801SOL HW2 3976 3.994 3.413 4.660 0.4962 0.4608 -0.3437 + 802SOL OW 3977 1.437 5.550 2.716 -0.1097 0.0718 -0.0224 + 802SOL HW1 3978 1.415 5.576 2.806 -2.0327 2.0515 -0.9832 + 802SOL HW2 3979 1.380 5.475 2.699 -1.1395 0.8719 -0.1874 + 803SOL OW 3980 5.753 3.362 3.900 -0.1637 -0.1594 -0.1398 + 803SOL HW1 3981 5.712 3.321 3.976 0.7429 1.4806 1.2938 + 803SOL HW2 3982 5.698 3.439 3.882 1.7291 1.6722 1.3734 + 804SOL OW 3983 5.596 0.376 3.576 -0.0180 -0.0399 0.0089 + 804SOL HW1 3984 5.669 0.425 3.538 -0.1045 1.3018 1.4342 + 804SOL HW2 3985 5.633 0.334 3.654 -0.5436 -0.0788 0.2460 + 805SOL OW 3986 5.776 0.807 2.744 0.7863 -0.0376 -0.0108 + 805SOL HW1 3987 5.765 0.765 2.659 0.1850 0.4171 -0.1608 + 805SOL HW2 3988 5.743 0.743 2.807 0.8624 -0.2123 -0.1474 + 806SOL OW 3989 5.866 2.104 4.788 -0.1211 0.2315 0.1442 + 806SOL HW1 3990 5.911 2.113 4.873 1.0671 0.5144 -0.4938 + 806SOL HW2 3991 5.849 2.010 4.780 0.2621 0.1322 0.4464 + 807SOL OW 3992 4.050 0.699 0.336 -0.1356 0.9138 0.5529 + 807SOL HW1 3993 4.058 0.621 0.391 -4.9907 1.8288 3.0806 + 807SOL HW2 3994 4.062 0.772 0.396 0.0889 2.0832 -0.8656 + 808SOL OW 3995 0.805 1.773 3.488 -0.1116 -0.1292 -0.0205 + 808SOL HW1 3996 0.790 1.722 3.409 -0.0152 -0.9371 0.4749 + 808SOL HW2 3997 0.802 1.864 3.459 2.4918 -0.4086 -1.4142 + 809SOL OW 3998 1.746 2.342 4.284 -0.1380 0.3043 -0.0217 + 809SOL HW1 3999 1.786 2.428 4.295 0.2707 0.0377 0.6811 + 809SOL HW2 4000 1.791 2.304 4.209 2.3301 -0.7290 1.8507 + 810SOL OW 4001 0.721 0.379 3.447 -0.5000 0.1585 -0.1066 + 810SOL HW1 4002 0.744 0.289 3.470 0.3537 0.0468 -1.3263 + 810SOL HW2 4003 0.767 0.433 3.511 -0.2681 -0.2408 0.0617 + 811SOL OW 4004 3.815 4.286 4.886 -0.3256 -0.3001 0.1361 + 811SOL HW1 4005 3.815 4.285 4.790 -0.8899 -1.4668 0.1223 + 811SOL HW2 4006 3.726 4.311 4.909 -0.6243 -1.4620 0.3224 + 812SOL OW 4007 1.112 4.704 4.222 -0.4678 -0.5883 0.6200 + 812SOL HW1 4008 1.157 4.709 4.307 1.7267 1.6203 -0.5390 + 812SOL HW2 4009 1.147 4.625 4.181 1.9034 0.6529 0.0835 + 813SOL OW 4010 2.349 3.737 1.740 0.1644 0.3102 -0.1745 + 813SOL HW1 4011 2.372 3.729 1.648 0.1741 1.1303 -0.2465 + 813SOL HW2 4012 2.409 3.677 1.785 -1.4201 -1.9511 -0.8989 + 814SOL OW 4013 5.457 0.949 4.658 -0.2093 -0.1474 -0.1667 + 814SOL HW1 4014 5.416 0.886 4.599 1.1505 0.4918 -1.9029 + 814SOL HW2 4015 5.532 0.901 4.695 0.2158 0.1223 -0.6746 + 815SOL OW 4016 5.941 4.520 1.586 0.0975 -0.1920 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0.1330 0.6074 + 1431SOL HW1 5865 4.313 0.286 4.892 -0.7424 0.0638 0.8985 + 1431SOL HW2 5866 4.326 0.436 4.879 -1.4275 -0.0051 -0.8703 + 1432SOL OW 5867 4.081 5.758 1.005 -0.2865 -0.2256 -0.4876 + 1432SOL HW1 5868 4.019 5.821 1.041 -0.7957 -1.2405 0.4706 + 1432SOL HW2 5869 4.118 5.802 0.928 -0.6842 1.1916 0.0985 + 1433SOL OW 5870 3.053 1.916 2.288 0.4531 -0.5092 -0.0999 + 1433SOL HW1 5871 3.121 1.877 2.233 -0.2372 -2.2372 0.1880 + 1433SOL HW2 5872 3.042 1.853 2.360 -1.6326 -0.4449 -0.2994 + 1434SOL OW 5873 5.997 1.760 0.672 -0.4342 -0.1576 0.0993 + 1434SOL HW1 5874 5.954 1.804 0.598 0.8772 -0.8824 -1.1306 + 1434SOL HW2 5875 5.950 1.677 0.681 -0.6265 -0.0476 0.1123 + 1435SOL OW 5876 0.598 4.616 2.751 0.1801 0.2896 -0.1320 + 1435SOL HW1 5877 0.641 4.686 2.799 -1.3259 -1.1240 3.6053 + 1435SOL HW2 5878 0.511 4.650 2.731 0.4891 0.5378 -1.1159 + 1436SOL OW 5879 5.264 2.268 3.938 -0.3373 -0.0616 0.1914 + 1436SOL HW1 5880 5.353 2.304 3.945 -0.0442 0.0876 -2.8705 + 1436SOL HW2 5881 5.207 2.343 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1453SOL HW2 5932 6.248 1.447 3.351 2.0170 1.1989 0.5965 + 1454SOL OW 5933 3.323 3.651 0.793 -0.0259 -0.0847 -0.6266 + 1454SOL HW1 5934 3.360 3.738 0.779 0.0674 -0.1697 -0.9046 + 1454SOL HW2 5935 3.334 3.606 0.710 0.0825 -0.4243 -0.4302 + 1455SOL OW 5936 2.188 2.908 5.100 0.2992 0.5585 0.1229 + 1455SOL HW1 5937 2.106 2.886 5.056 -0.2761 0.5018 1.1902 + 1455SOL HW2 5938 2.184 2.861 5.184 1.7912 -0.1091 -0.1471 + 1456SOL OW 5939 0.065 1.749 4.479 0.2197 0.1253 -1.0189 + 1456SOL HW1 5940 0.144 1.696 4.490 -0.1097 -0.5403 -1.6926 + 1456SOL HW2 5941 -0.004 1.685 4.460 -0.8712 0.5231 1.2751 + 1457SOL OW 5942 1.425 3.986 4.996 0.6620 0.1750 0.1638 + 1457SOL HW1 5943 1.447 3.946 5.080 1.0159 -0.5371 -0.2557 + 1457SOL HW2 5944 1.414 4.079 5.015 -1.2951 -0.2402 1.3969 + 1458SOL OW 5945 1.327 6.062 2.433 0.2311 0.2171 -0.2816 + 1458SOL HW1 5946 1.276 6.141 2.415 -0.3351 -0.3240 -1.1059 + 1458SOL HW2 5947 1.277 5.991 2.393 1.3151 -0.4136 -0.5597 + 1459SOL OW 5948 6.068 4.361 3.512 0.1444 0.3039 0.5164 + 1459SOL HW1 5949 6.005 4.351 3.441 -1.8263 1.1372 2.0684 + 1459SOL HW2 5950 6.147 4.394 3.469 -1.2671 1.6659 -1.1818 + 1460SOL OW 5951 2.816 3.994 4.701 0.2835 0.4241 -0.0320 + 1460SOL HW1 5952 2.721 3.989 4.700 0.2651 0.7386 0.0160 + 1460SOL HW2 5953 2.842 3.938 4.775 0.1154 0.6536 0.2042 + 1461SOL OW 5954 0.798 1.962 4.140 0.0044 -0.0521 0.0067 + 1461SOL HW1 5955 0.811 1.867 4.139 1.2108 0.1026 -1.0146 + 1461SOL HW2 5956 0.878 1.997 4.179 0.1865 0.6160 -0.9355 + 1462SOL OW 5957 3.384 1.396 0.260 -0.1550 -0.3052 -0.2112 + 1462SOL HW1 5958 3.295 1.395 0.226 -0.5919 0.3858 0.8338 + 1462SOL HW2 5959 3.403 1.489 0.273 0.7192 -0.4512 -0.4403 + 1463SOL OW 5960 6.336 5.217 0.888 -0.4616 -0.5635 0.3254 + 1463SOL HW1 5961 6.391 5.251 0.958 -1.0944 2.4126 -0.4879 + 1463SOL HW2 5962 6.391 5.154 0.841 1.4324 0.5989 0.9138 + 1464SOL OW 5963 3.312 6.082 0.979 0.3417 -0.2931 0.0938 + 1464SOL HW1 5964 3.405 6.060 0.970 -0.0336 -1.5297 -1.2097 + 1464SOL HW2 5965 3.267 5.997 0.973 -1.0460 0.5269 -2.6799 + 1465SOL OW 5966 2.330 0.134 1.912 0.5323 -0.2121 0.6671 + 1465SOL HW1 5967 2.251 0.168 1.871 -0.8747 -2.2269 1.5479 + 1465SOL HW2 5968 2.370 0.080 1.843 -0.3515 -1.3601 1.0134 + 1466SOL OW 5969 0.294 4.107 1.688 -0.1102 -0.0602 -0.2106 + 1466SOL HW1 5970 0.267 4.031 1.637 2.6551 -0.5386 -1.0680 + 1466SOL HW2 5971 0.376 4.081 1.730 -1.0583 1.1284 2.6937 + 1467SOL OW 5972 1.700 1.079 1.795 -0.0085 0.2477 0.1315 + 1467SOL HW1 5973 1.612 1.046 1.780 -0.1516 0.7981 -0.2821 + 1467SOL HW2 5974 1.711 1.149 1.730 -0.2217 1.9258 1.8202 + 1468SOL OW 5975 6.122 1.705 4.057 -0.3093 -0.0074 -0.2597 + 1468SOL HW1 5976 6.065 1.628 4.055 -0.6499 0.2006 0.6752 + 1468SOL HW2 5977 6.122 1.738 3.967 0.6957 -1.6953 -0.9356 + 1469SOL OW 5978 4.778 5.417 2.109 0.5114 0.3651 -0.0312 + 1469SOL HW1 5979 4.736 5.496 2.144 -0.9754 -0.7148 0.7351 + 1469SOL HW2 5980 4.869 5.423 2.138 -0.4313 -0.0612 3.4784 + 1470SOL OW 5981 1.755 5.572 0.739 -0.6319 0.1578 0.6061 + 1470SOL HW1 5982 1.722 5.661 0.749 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3.108 1.928 5.266 2.3810 1.2455 0.4289 + 1482SOL OW 6017 4.499 4.306 4.861 0.3211 0.8416 -0.2421 + 1482SOL HW1 6018 4.530 4.337 4.776 -2.0958 3.6915 -0.2617 + 1482SOL HW2 6019 4.571 4.325 4.921 0.7540 2.1399 -1.1237 + 1483SOL OW 6020 2.092 2.752 3.973 0.1567 0.7348 -0.0800 + 1483SOL HW1 6021 2.127 2.749 3.884 -1.2258 1.6514 -0.6947 + 1483SOL HW2 6022 2.088 2.660 4.000 -1.3251 0.2199 -1.7970 + 1484SOL OW 6023 4.292 3.261 4.799 0.1453 -0.4663 0.6043 + 1484SOL HW1 6024 4.239 3.297 4.728 0.9925 2.3414 1.2865 + 1484SOL HW2 6025 4.375 3.237 4.756 -0.1694 -0.9601 0.2623 + 1485SOL OW 6026 1.271 0.717 4.292 -0.0117 -1.2704 -0.7330 + 1485SOL HW1 6027 1.323 0.688 4.367 2.7469 0.9845 -1.5815 + 1485SOL HW2 6028 1.219 0.789 4.325 -0.6519 -1.8527 -0.4602 + 1486SOL OW 6029 1.675 5.954 3.571 -0.3860 -0.0521 -0.5449 + 1486SOL HW1 6030 1.738 6.025 3.582 1.4465 -1.4269 -1.6609 + 1486SOL HW2 6031 1.681 5.932 3.478 -1.5076 -1.1552 -0.3796 + 1487SOL OW 6032 4.315 3.142 1.149 0.0577 0.6204 0.2280 + 1487SOL 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0.2869 + 1510SOL OW 6101 1.658 1.632 3.879 -0.2928 -0.4432 0.1550 + 1510SOL HW1 6102 1.694 1.589 3.802 -2.0654 -1.6106 -0.0853 + 1510SOL HW2 6103 1.724 1.697 3.903 1.5380 -1.8848 -0.7053 + 1511SOL OW 6104 4.579 1.618 3.948 0.3670 0.5164 0.2038 + 1511SOL HW1 6105 4.554 1.694 4.002 -0.3995 0.6612 -0.3323 + 1511SOL HW2 6106 4.666 1.594 3.980 -0.3550 0.1223 2.0348 + 1512SOL OW 6107 5.479 2.030 0.295 -0.3539 -0.6717 -0.0020 + 1512SOL HW1 6108 5.515 1.998 0.378 1.1693 1.3475 0.1966 + 1512SOL HW2 6109 5.446 2.117 0.316 0.4752 0.0648 -1.5742 + 1513SOL OW 6110 6.446 1.535 1.164 -0.3822 -0.2296 0.0815 + 1513SOL HW1 6111 6.447 1.492 1.249 -1.7385 0.1859 0.3281 + 1513SOL HW2 6112 6.409 1.470 1.105 2.2079 -1.1828 -0.6154 + 1514SOL OW 6113 5.596 5.421 3.592 0.1535 -0.3133 0.1090 + 1514SOL HW1 6114 5.503 5.420 3.612 0.3176 -1.4072 0.9290 + 1514SOL HW2 6115 5.601 5.452 3.501 -0.8204 2.0258 0.7762 + 1515SOL OW 6116 3.333 1.178 4.706 0.2771 -0.0954 -0.9132 + 1515SOL HW1 6117 3.260 1.183 4.767 -0.0537 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5.026 0.910 1.0996 0.0080 2.1330 + 1532SOL HW2 6169 2.184 4.979 0.968 0.6552 -0.1305 1.0399 + 1533SOL OW 6170 0.273 3.350 3.753 0.5300 0.2959 0.0211 + 1533SOL HW1 6171 0.193 3.389 3.787 0.1923 -0.1668 -0.2270 + 1533SOL HW2 6172 0.332 3.424 3.737 0.4691 0.5640 1.0079 + 1534SOL OW 6173 0.342 1.453 3.048 -0.6153 0.3365 0.0786 + 1534SOL HW1 6174 0.265 1.406 3.015 -0.4437 1.0268 -1.3485 + 1534SOL HW2 6175 0.356 1.524 2.985 1.6542 -0.2206 -0.1105 + 1535SOL OW 6176 1.804 0.373 1.169 -0.1456 -0.1371 -0.6633 + 1535SOL HW1 6177 1.819 0.423 1.089 -0.5672 0.5117 -0.3522 + 1535SOL HW2 6178 1.710 0.354 1.168 -0.3437 0.7103 0.1332 + 1536SOL OW 6179 2.548 0.453 0.584 0.3088 -0.0414 0.3360 + 1536SOL HW1 6180 2.517 0.487 0.500 1.8932 0.1202 -0.2097 + 1536SOL HW2 6181 2.592 0.371 0.562 3.5628 1.5006 0.4515 + 1537SOL OW 6182 6.457 3.345 1.075 0.2740 -0.5996 -0.9145 + 1537SOL HW1 6183 6.477 3.438 1.088 -1.0791 -0.4812 0.6706 + 1537SOL HW2 6184 6.448 3.336 0.981 0.2447 0.9276 -1.0941 + 1538SOL OW 6185 4.421 0.672 0.510 -0.1944 -0.2539 -0.2633 + 1538SOL HW1 6186 4.402 0.726 0.587 1.2563 -0.7910 0.5200 + 1538SOL HW2 6187 4.381 0.587 0.530 1.7228 -0.9688 0.7816 + 1539SOL OW 6188 3.049 4.069 3.929 -0.0354 0.5449 0.1281 + 1539SOL HW1 6189 3.050 4.154 3.974 -1.4719 0.3791 0.5436 + 1539SOL HW2 6190 2.968 4.027 3.959 1.8887 -2.1530 1.9973 + 1540SOL OW 6191 0.773 5.382 3.948 0.3750 -0.1955 -0.8937 + 1540SOL HW1 6192 0.811 5.357 3.864 0.2961 -0.9257 -0.7222 + 1540SOL HW2 6193 0.681 5.356 3.941 0.3493 -0.1770 -0.6182 + 1541SOL OW 6194 0.107 0.691 2.775 -0.3996 -0.3804 -0.5221 + 1541SOL HW1 6195 0.164 0.644 2.836 0.6572 0.6988 -0.6242 + 1541SOL HW2 6196 0.046 0.738 2.831 0.3168 0.2955 -0.2832 + 1542SOL OW 6197 5.365 4.042 3.188 0.3051 0.4655 0.3573 + 1542SOL HW1 6198 5.340 4.001 3.271 -1.3379 -1.4150 -0.9517 + 1542SOL HW2 6199 5.322 3.988 3.121 1.9310 1.6279 -1.7577 + 1543SOL OW 6200 1.019 5.632 3.725 -0.3458 0.8555 -0.3004 + 1543SOL HW1 6201 0.942 5.669 3.683 -1.6178 -1.4224 -0.1114 + 1543SOL HW2 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1.1592 0.0555 + 1555SOL OW 6236 4.288 3.073 2.421 0.1542 -0.0648 0.0761 + 1555SOL HW1 6237 4.368 3.122 2.437 0.6729 -0.4586 -1.1911 + 1555SOL HW2 6238 4.268 3.089 2.329 -0.5455 -0.9556 0.0556 + 1556SOL OW 6239 2.102 1.136 4.681 -0.2274 0.6163 -0.3751 + 1556SOL HW1 6240 2.146 1.177 4.607 -1.1073 1.7978 -0.2645 + 1556SOL HW2 6241 2.172 1.112 4.740 0.3053 2.3724 -0.2439 + 1557SOL OW 6242 4.560 1.878 0.990 0.2532 0.0447 -0.4782 + 1557SOL HW1 6243 4.532 1.796 1.030 -2.3831 1.3357 0.5596 + 1557SOL HW2 6244 4.604 1.925 1.061 -0.3454 0.4739 -0.3872 + 1558SOL OW 6245 0.312 5.758 2.654 0.7523 -0.0181 -0.3282 + 1558SOL HW1 6246 0.235 5.812 2.634 1.2574 0.5277 -0.8174 + 1558SOL HW2 6247 0.382 5.821 2.670 0.7953 -0.4712 1.4769 + 1559SOL OW 6248 5.179 5.805 0.404 0.5803 0.4816 0.0541 + 1559SOL HW1 6249 5.085 5.784 0.401 0.5576 0.5921 -2.3910 + 1559SOL HW2 6250 5.182 5.901 0.404 0.7115 0.4840 0.8803 + 1560SOL OW 6251 0.114 0.723 3.796 -0.5387 -0.1120 -0.5620 + 1560SOL HW1 6252 0.028 0.751 3.764 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1.465 2.428 -1.8845 -0.9781 -1.6547 + 1572SOL OW 6287 2.847 4.241 4.604 0.2122 -0.6140 0.6156 + 1572SOL HW1 6288 2.758 4.275 4.604 0.4960 0.2304 2.0277 + 1572SOL HW2 6289 2.842 4.160 4.654 0.1002 -1.0038 -0.0187 + 1573SOL OW 6290 1.065 5.286 2.807 -0.2295 -0.3259 -0.2788 + 1573SOL HW1 6291 1.038 5.325 2.724 -1.1044 0.0805 0.1742 + 1573SOL HW2 6292 1.160 5.290 2.807 -0.2471 0.1825 -1.0218 + 1574SOL OW 6293 4.092 1.519 3.373 0.0626 0.3336 -0.1447 + 1574SOL HW1 6294 4.022 1.460 3.403 -0.2380 0.5357 -0.4356 + 1574SOL HW2 6295 4.139 1.468 3.307 -0.8679 0.7738 -1.1949 + 1575SOL OW 6296 4.286 4.480 0.588 -0.5702 -0.3013 -0.2290 + 1575SOL HW1 6297 4.191 4.489 0.580 -0.3925 0.6176 -1.6518 + 1575SOL HW2 6298 4.311 4.424 0.515 0.0071 -0.4428 0.0675 + 1576SOL OW 6299 1.386 2.582 3.727 0.4157 -0.0710 -0.4304 + 1576SOL HW1 6300 1.425 2.528 3.658 -1.1856 0.7594 -2.0576 + 1576SOL HW2 6301 1.292 2.567 3.718 -0.1937 3.5446 -1.5101 + 1577SOL OW 6302 0.245 4.113 2.961 -0.2158 0.1868 -0.6025 + 1577SOL HW1 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1583SOL OW 6320 4.044 4.225 4.458 0.1927 -0.2742 0.2033 + 1583SOL HW1 6321 4.076 4.211 4.369 0.5590 0.4132 0.2223 + 1583SOL HW2 6322 4.111 4.279 4.500 0.1088 -0.7388 0.9558 + 1584SOL OW 6323 3.652 3.483 1.530 -0.9436 0.1837 0.2901 + 1584SOL HW1 6324 3.690 3.396 1.540 -0.6700 -0.1467 -2.5744 + 1584SOL HW2 6325 3.630 3.511 1.619 0.8052 -1.9501 1.4906 + 1585SOL OW 6326 1.214 1.476 1.390 -0.0915 0.2900 0.0561 + 1585SOL HW1 6327 1.210 1.426 1.471 0.2728 1.2964 0.7114 + 1585SOL HW2 6328 1.161 1.554 1.407 3.2374 2.5900 0.8767 + 1586SOL OW 6329 4.753 2.965 1.904 -0.1514 0.2373 0.3196 + 1586SOL HW1 6330 4.827 2.949 1.845 -1.0906 1.7090 -1.3392 + 1586SOL HW2 6331 4.774 3.049 1.947 -0.3480 0.1027 0.6884 + 1587SOL OW 6332 6.413 1.697 2.960 0.0874 -0.2705 -0.0171 + 1587SOL HW1 6333 6.438 1.605 2.963 1.5616 0.1072 -0.1367 + 1587SOL HW2 6334 6.395 1.719 3.052 1.0742 -0.3352 0.2024 + 1588SOL OW 6335 4.343 5.490 2.173 -0.4427 -0.8730 0.0382 + 1588SOL HW1 6336 4.417 5.515 2.118 -0.3662 -0.8500 0.1497 + 1588SOL HW2 6337 4.319 5.402 2.144 -0.7253 -0.6630 -0.3701 + 1589SOL OW 6338 4.167 1.576 2.235 0.3493 -0.4776 0.0032 + 1589SOL HW1 6339 4.105 1.553 2.305 -0.1990 0.9754 0.0268 + 1589SOL HW2 6340 4.226 1.640 2.275 2.6023 -2.5819 0.3057 + 1590SOL OW 6341 2.201 5.848 4.463 0.0192 0.1800 0.0182 + 1590SOL HW1 6342 2.140 5.797 4.411 -1.0276 0.2857 1.0898 + 1590SOL HW2 6343 2.157 5.858 4.548 0.9654 1.3570 0.3960 + 1591SOL OW 6344 0.154 4.610 4.570 -0.1276 -0.4071 -0.2417 + 1591SOL HW1 6345 0.099 4.639 4.498 1.6201 2.0567 -0.7413 + 1591SOL HW2 6346 0.225 4.562 4.529 -0.1154 -0.6263 0.0321 + 1592SOL OW 6347 2.773 2.296 3.468 -0.5909 -0.0800 0.1251 + 1592SOL HW1 6348 2.843 2.355 3.441 -0.1784 -1.2771 -1.6156 + 1592SOL HW2 6349 2.805 2.256 3.549 0.2005 0.2565 -0.0154 + 1593SOL OW 6350 6.402 3.896 0.737 -0.4376 -0.0135 -0.1151 + 1593SOL HW1 6351 6.351 3.851 0.669 -1.0996 1.0269 -0.3265 + 1593SOL HW2 6352 6.344 3.965 0.768 0.6163 0.7980 0.0899 + 1594SOL OW 6353 0.597 1.856 3.742 -0.0072 -0.1949 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0.3983 -0.7023 + 1600SOL OW 6371 1.287 1.966 2.958 -0.1673 0.6479 0.0374 + 1600SOL HW1 6372 1.253 1.947 3.046 0.4930 0.9213 0.3630 + 1600SOL HW2 6373 1.238 1.908 2.900 0.9297 -1.1859 0.8581 + 1601SOL OW 6374 0.325 1.639 2.850 0.0522 -0.3751 -0.2484 + 1601SOL HW1 6375 0.343 1.625 2.757 1.1490 0.1978 -0.1381 + 1601SOL HW2 6376 0.248 1.697 2.851 -0.2741 -0.7922 -0.7793 + 1602SOL OW 6377 2.922 3.003 4.195 0.2884 -0.1123 -0.1485 + 1602SOL HW1 6378 2.944 3.088 4.157 2.2209 -0.3705 0.3032 + 1602SOL HW2 6379 2.915 3.019 4.289 0.8497 -0.4863 -0.0395 + 1603SOL OW 6380 3.497 4.578 4.564 -0.7551 0.1763 0.4713 + 1603SOL HW1 6381 3.429 4.645 4.571 -1.8181 -0.7480 -0.6886 + 1603SOL HW2 6382 3.450 4.496 4.551 0.5632 -0.6251 0.5001 + 1604SOL OW 6383 2.025 0.802 3.011 -0.0413 -0.4374 -0.1011 + 1604SOL HW1 6384 2.019 0.883 2.960 -0.0146 -0.3586 0.0234 + 1604SOL HW2 6385 1.985 0.736 2.954 -1.1523 -0.1139 0.2877 + 1605SOL OW 6386 4.685 0.893 1.505 -0.0902 0.6170 0.1145 + 1605SOL HW1 6387 4.648 0.876 1.419 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HW1 6438 3.823 3.538 1.687 -2.1310 0.9974 0.6819 + 1622SOL HW2 6439 3.878 3.540 1.828 -0.8049 -0.4509 0.2121 + 1623SOL OW 6440 4.545 5.288 1.128 -0.2941 -0.5173 0.5465 + 1623SOL HW1 6441 4.509 5.254 1.046 -0.3569 -0.7111 0.6542 + 1623SOL HW2 6442 4.473 5.340 1.165 0.6791 2.1143 -0.9774 + 1624SOL OW 6443 5.857 1.014 3.826 -0.0167 0.2505 -0.7017 + 1624SOL HW1 6444 5.918 0.941 3.835 -1.8231 -1.1743 0.5454 + 1624SOL HW2 6445 5.847 1.027 3.732 0.1289 -1.2847 -0.9403 + 1625SOL OW 6446 2.517 3.126 3.117 -0.3182 0.4696 -0.1406 + 1625SOL HW1 6447 2.479 3.068 3.182 -1.8018 0.6333 -0.8255 + 1625SOL HW2 6448 2.443 3.171 3.077 0.5390 0.4545 -1.8672 + 1626SOL OW 6449 5.552 1.945 4.778 -0.0943 -0.3327 -0.1623 + 1626SOL HW1 6450 5.619 2.013 4.769 -0.2123 0.1557 2.0692 + 1626SOL HW2 6451 5.488 1.983 4.838 -1.3634 -1.5531 -0.7045 + 1627SOL OW 6452 5.224 4.650 2.015 -0.3979 0.3236 0.4904 + 1627SOL HW1 6453 5.284 4.675 2.085 0.7570 -0.5517 -0.1551 + 1627SOL HW2 6454 5.167 4.585 2.056 0.0963 0.0150 0.6998 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-0.6860 + 1633SOL HW2 6472 2.656 0.232 1.004 1.0980 -0.7424 1.1795 + 1634SOL OW 6473 2.048 1.037 4.183 0.4674 0.1409 0.3346 + 1634SOL HW1 6474 2.089 1.066 4.101 1.4950 0.4695 0.9445 + 1634SOL HW2 6475 1.972 1.094 4.194 0.9700 0.8515 0.1792 + 1635SOL OW 6476 4.490 0.042 5.148 0.1033 0.1609 0.7626 + 1635SOL HW1 6477 4.439 0.097 5.208 -0.2301 2.8532 -1.7757 + 1635SOL HW2 6478 4.579 0.077 5.154 -0.0505 0.8688 -0.6642 + 1636SOL OW 6479 2.085 1.233 0.662 0.0747 0.3331 -0.6226 + 1636SOL HW1 6480 2.083 1.249 0.567 2.2598 1.5802 -0.5184 + 1636SOL HW2 6481 2.090 1.321 0.700 1.6298 -0.2138 0.5151 + 1637SOL OW 6482 4.091 2.830 1.357 -0.2242 0.1661 -0.3444 + 1637SOL HW1 6483 4.168 2.793 1.315 1.1634 0.9634 1.3548 + 1637SOL HW2 6484 4.017 2.801 1.303 1.2583 -0.4962 -2.1123 + 1638SOL OW 6485 2.273 0.870 4.282 -0.2764 0.0078 0.1154 + 1638SOL HW1 6486 2.230 0.936 4.228 0.1126 -1.1453 -1.6773 + 1638SOL HW2 6487 2.206 0.803 4.296 -1.3145 1.5491 3.5911 + 1639SOL OW 6488 4.885 4.336 3.359 -0.1041 0.0710 -0.6185 + 1639SOL HW1 6489 4.972 4.375 3.366 -0.8440 1.5864 1.0199 + 1639SOL HW2 6490 4.827 4.409 3.338 -1.3072 -0.3833 0.8742 + 1640SOL OW 6491 5.430 4.727 4.924 0.1784 -0.4535 0.3048 + 1640SOL HW1 6492 5.370 4.684 4.863 -0.1274 -0.0112 0.2873 + 1640SOL HW2 6493 5.508 4.744 4.872 0.6753 -1.8375 0.5643 + 1641SOL OW 6494 5.681 4.167 3.782 0.3922 -0.1627 0.4884 + 1641SOL HW1 6495 5.758 4.211 3.818 0.3256 -0.0990 0.5537 + 1641SOL HW2 6496 5.679 4.083 3.827 0.6967 -0.3608 0.1359 + 1642SOL OW 6497 1.092 1.669 5.127 0.4693 -0.2458 -0.0249 + 1642SOL HW1 6498 1.150 1.706 5.060 0.5973 1.1771 0.8221 + 1642SOL HW2 6499 1.088 1.737 5.194 -1.0797 -0.8988 0.5795 + 1643SOL OW 6500 4.085 3.519 3.615 0.1877 -0.0579 0.4296 + 1643SOL HW1 6501 4.087 3.502 3.710 1.8004 1.4554 0.7132 + 1643SOL HW2 6502 4.039 3.603 3.608 -1.0306 -0.7497 -0.2864 + 1644SOL OW 6503 6.156 2.508 2.737 -0.0020 -0.4705 -0.3794 + 1644SOL HW1 6504 6.090 2.444 2.763 1.7596 -2.4420 -0.4809 + 1644SOL HW2 6505 6.218 2.510 2.810 1.2961 -0.8073 -1.4253 + 1645SOL OW 6506 2.128 5.625 0.905 -0.3976 0.7378 0.0177 + 1645SOL HW1 6507 2.071 5.564 0.857 0.5040 -0.9250 0.9737 + 1645SOL HW2 6508 2.087 5.711 0.893 -2.6962 -0.2878 0.0725 + 1646SOL OW 6509 0.268 3.126 1.016 -0.0076 -0.1054 0.1129 + 1646SOL HW1 6510 0.245 3.037 1.041 -1.4800 0.4275 0.7268 + 1646SOL HW2 6511 0.279 3.122 0.921 0.4933 -1.0433 0.2029 + 1647SOL OW 6512 5.600 5.999 5.095 -0.3979 0.5351 -0.3892 + 1647SOL HW1 6513 5.585 6.041 5.180 -0.4199 0.6415 -0.4448 + 1647SOL HW2 6514 5.514 6.001 5.053 -0.1604 1.4502 -0.8462 + 1648SOL OW 6515 4.856 3.272 3.393 -0.6351 0.1828 -0.4724 + 1648SOL HW1 6516 4.781 3.241 3.343 -0.8236 -0.1944 0.0392 + 1648SOL HW2 6517 4.842 3.366 3.402 -2.0108 -0.1375 1.2019 + 1649SOL OW 6518 6.233 0.654 3.755 0.1947 -0.3859 -0.3212 + 1649SOL HW1 6519 6.245 0.645 3.661 -0.5675 1.7919 -0.6872 + 1649SOL HW2 6520 6.242 0.565 3.790 0.4343 -1.2317 -2.4383 + 1650SOL OW 6521 5.205 2.485 0.257 0.6069 0.0797 -0.5349 + 1650SOL HW1 6522 5.116 2.483 0.292 0.3910 0.1300 -1.0809 + 1650SOL HW2 6523 5.194 2.490 0.162 1.1814 2.0304 -0.5361 + 1651SOL OW 6524 5.277 3.098 1.093 0.3964 -0.1931 -0.4432 + 1651SOL HW1 6525 5.373 3.098 1.096 0.4389 -0.4281 -1.4676 + 1651SOL HW2 6526 5.256 3.064 1.006 -0.6079 0.6973 -0.5685 + 1652SOL OW 6527 3.657 0.922 0.223 0.0495 0.5393 0.1577 + 1652SOL HW1 6528 3.728 0.961 0.273 -0.9742 1.0749 1.2418 + 1652SOL HW2 6529 3.579 0.933 0.279 -0.6661 -1.1054 -0.4487 + 1653SOL OW 6530 5.807 1.354 3.571 -0.1591 -0.0197 0.6027 + 1653SOL HW1 6531 5.789 1.425 3.509 -0.3884 -0.7816 -0.2250 + 1653SOL HW2 6532 5.752 1.373 3.646 -2.1756 -0.6563 -0.6342 + 1654SOL OW 6533 0.194 3.300 3.113 -0.4034 0.1920 -0.5238 + 1654SOL HW1 6534 0.199 3.208 3.089 -2.7305 -0.2545 0.4877 + 1654SOL HW2 6535 0.207 3.301 3.208 -0.1349 0.9393 -0.5588 + 1655SOL OW 6536 1.391 2.880 2.894 -0.0737 0.3739 -0.2973 + 1655SOL HW1 6537 1.453 2.895 2.965 0.2360 -1.2785 -0.1975 + 1655SOL HW2 6538 1.425 2.931 2.820 1.5853 -0.7566 -0.3434 + 1656SOL OW 6539 2.122 2.405 2.700 -0.1023 0.3029 -0.4420 + 1656SOL HW1 6540 2.059 2.389 2.769 0.2592 1.8468 0.2967 + 1656SOL HW2 6541 2.099 2.491 2.666 0.3502 -0.0029 -1.5689 + 1657SOL OW 6542 0.550 3.029 3.962 -0.3742 -0.0112 0.0943 + 1657SOL HW1 6543 0.510 2.945 3.986 0.3002 -0.5014 -0.4518 + 1657SOL HW2 6544 0.497 3.060 3.889 -0.1007 -0.4006 -0.2797 + 1658SOL OW 6545 5.315 4.150 2.661 0.6464 -0.0623 -0.0931 + 1658SOL HW1 6546 5.360 4.111 2.735 -0.4062 -0.0932 0.5523 + 1658SOL HW2 6547 5.240 4.092 2.645 0.6742 0.1315 -0.9608 + 1659SOL OW 6548 0.980 3.077 1.605 0.4964 -0.3123 -0.0939 + 1659SOL HW1 6549 1.076 3.077 1.604 0.6523 3.1126 1.3098 + 1659SOL HW2 6550 0.955 3.149 1.547 -1.1545 -0.0195 0.9104 + 1660SOL OW 6551 0.674 1.250 5.116 -0.1966 -0.1959 -0.0912 + 1660SOL HW1 6552 0.588 1.235 5.077 -0.7717 -0.0601 1.0582 + 1660SOL HW2 6553 0.723 1.170 5.097 -0.4564 -0.1378 -1.0457 + 1661SOL OW 6554 0.779 4.066 0.860 -0.2813 0.4564 -0.0384 + 1661SOL HW1 6555 0.760 4.159 0.849 0.5888 0.4967 -1.4848 + 1661SOL HW2 6556 0.874 4.064 0.875 -0.5604 -0.0847 1.8787 + 1662SOL OW 6557 2.176 2.725 3.682 -0.6713 -0.1044 0.9247 + 1662SOL HW1 6558 2.261 2.755 3.650 0.0208 -1.3232 1.5233 + 1662SOL HW2 6559 2.177 2.631 3.667 -1.4126 -0.3127 2.0469 + 1663SOL OW 6560 2.882 0.872 1.409 -0.6599 -0.0514 -0.1322 + 1663SOL HW1 6561 2.903 0.829 1.493 -0.0107 -2.2589 -1.3408 + 1663SOL HW2 6562 2.962 0.920 1.387 -0.2158 -0.8355 -0.2680 + 1664SOL OW 6563 0.838 0.570 0.012 -0.3127 -0.1507 0.0078 + 1664SOL HW1 6564 0.823 0.550 0.105 -2.0745 0.4675 -0.1148 + 1664SOL HW2 6565 0.817 0.489 -0.034 1.0282 -0.6065 0.1596 + 1665SOL OW 6566 1.800 1.272 1.233 0.1919 -0.2911 -0.0169 + 1665SOL HW1 6567 1.776 1.203 1.295 0.2528 0.3381 0.7106 + 1665SOL HW2 6568 1.894 1.260 1.220 0.1952 -0.3723 0.0750 + 1666SOL OW 6569 2.290 2.146 2.953 0.3092 0.5644 0.0937 + 1666SOL HW1 6570 2.340 2.227 2.947 0.7871 0.3070 0.5156 + 1666SOL HW2 6571 2.244 2.139 2.870 -1.6497 2.5060 0.9071 + 1667SOL OW 6572 0.473 3.668 1.292 -0.2057 -0.2450 0.4960 + 1667SOL HW1 6573 0.429 3.672 1.207 1.1659 -1.3066 -0.3043 + 1667SOL HW2 6574 0.478 3.574 1.312 -0.3466 -0.0146 1.6619 + 1668SOL OW 6575 1.019 5.622 0.022 -0.2914 0.1708 -0.5066 + 1668SOL HW1 6576 1.104 5.579 0.012 -0.3813 -0.1506 0.0817 + 1668SOL HW2 6577 1.041 5.711 0.048 -0.1169 -0.6629 2.6296 + 1669SOL OW 6578 0.788 2.804 3.318 -0.0078 -0.3243 -0.1008 + 1669SOL HW1 6579 0.829 2.762 3.242 -0.1183 1.3353 -1.1224 + 1669SOL HW2 6580 0.832 2.888 3.326 -1.1734 0.2404 0.6129 + 1670SOL OW 6581 0.119 1.869 0.797 -0.1257 0.0948 -0.2984 + 1670SOL HW1 6582 0.204 1.911 0.811 -0.0003 -0.1801 -0.2364 + 1670SOL HW2 6583 0.127 1.783 0.837 -0.0047 -0.4276 -1.3895 + 1671SOL OW 6584 3.948 1.658 0.362 -0.1900 -0.1666 -0.0633 + 1671SOL HW1 6585 3.975 1.749 0.363 -0.4674 -0.0857 0.6181 + 1671SOL HW2 6586 3.900 1.646 0.444 0.7410 -1.1949 0.3636 + 1672SOL OW 6587 0.993 3.357 3.214 -0.3915 0.6900 -0.2609 + 1672SOL HW1 6588 0.929 3.341 3.144 -0.6358 2.1958 -0.4220 + 1672SOL HW2 6589 0.957 3.431 3.263 -0.0708 -0.1281 1.2934 + 1673SOL OW 6590 3.911 2.391 3.386 -0.4334 0.9701 0.6828 + 1673SOL HW1 6591 3.938 2.403 3.295 1.3545 2.8296 1.4072 + 1673SOL HW2 6592 3.815 2.382 3.381 -0.3152 0.3436 -1.4075 + 1674SOL OW 6593 5.959 3.709 0.337 1.0293 -0.4808 0.2771 + 1674SOL HW1 6594 5.960 3.673 0.425 -1.5404 -0.1423 0.5413 + 1674SOL HW2 6595 6.025 3.659 0.289 0.0498 -3.1389 1.4922 + 1675SOL OW 6596 0.406 2.254 0.941 -0.4226 0.1472 -0.5803 + 1675SOL HW1 6597 0.372 2.187 1.000 -0.7887 0.8569 0.0335 + 1675SOL HW2 6598 0.331 2.312 0.926 -0.0281 0.5831 -0.8644 + 1676SOL OW 6599 3.430 2.580 0.656 0.4500 0.6549 0.0720 + 1676SOL HW1 6600 3.363 2.549 0.716 -0.3988 1.2942 -0.5259 + 1676SOL HW2 6601 3.500 2.515 0.664 -0.2856 -0.1053 0.6067 + 1677SOL OW 6602 0.895 1.053 4.112 0.0901 -0.1099 -0.2758 + 1677SOL HW1 6603 0.839 0.986 4.151 0.2851 0.0187 0.2395 + 1677SOL HW2 6604 0.835 1.108 4.062 -0.4508 0.6988 1.1817 + 1678SOL OW 6605 3.462 2.078 4.506 -0.3240 0.1820 0.6509 + 1678SOL HW1 6606 3.514 2.148 4.544 1.8259 -1.1111 0.2320 + 1678SOL HW2 6607 3.463 2.096 4.412 0.2240 -0.3947 0.5441 + 1679SOL OW 6608 1.950 1.575 3.419 -0.2330 0.3831 0.1153 + 1679SOL HW1 6609 1.855 1.581 3.412 -0.3779 -0.0675 1.4780 + 1679SOL HW2 6610 1.969 1.594 3.511 0.8250 -1.2113 0.2717 + 1680SOL OW 6611 5.235 4.095 0.149 0.2327 -0.2769 0.2706 + 1680SOL HW1 6612 5.304 4.153 0.182 -0.8433 1.6825 -0.7162 + 1680SOL HW2 6613 5.184 4.072 0.228 2.1925 -2.1418 1.0825 + 1681SOL OW 6614 5.499 2.988 1.504 -0.1511 0.0069 -0.4739 + 1681SOL HW1 6615 5.480 3.075 1.470 -0.9880 -0.2043 -0.5649 + 1681SOL HW2 6616 5.425 2.934 1.475 0.6605 -0.8801 -0.9759 + 1682SOL OW 6617 6.284 3.194 1.206 0.5850 0.4664 0.2902 + 1682SOL HW1 6618 6.347 3.258 1.175 0.5896 1.1065 1.5365 + 1682SOL HW2 6619 6.286 3.124 1.141 -0.2230 2.1984 -1.7104 + 1683SOL OW 6620 3.417 1.560 4.329 0.0453 -0.1242 0.2874 + 1683SOL HW1 6621 3.322 1.551 4.319 0.0860 -0.4712 0.2035 + 1683SOL HW2 6622 3.433 1.654 4.319 -0.5295 0.2449 2.2946 + 1684SOL OW 6623 0.446 2.885 3.300 -0.2215 -0.1103 -0.3702 + 1684SOL HW1 6624 0.513 2.841 3.249 -1.3372 -1.1720 -0.9720 + 1684SOL HW2 6625 0.413 2.819 3.361 -0.0175 0.6923 0.6585 + 1685SOL OW 6626 1.514 5.317 3.007 0.2092 -0.1666 1.0116 + 1685SOL HW1 6627 1.460 5.240 3.028 0.8650 -0.7537 0.6100 + 1685SOL HW2 6628 1.548 5.298 2.920 -0.8594 1.3025 0.2341 + 1686SOL OW 6629 3.809 5.523 3.847 0.8773 1.0798 0.1269 + 1686SOL HW1 6630 3.758 5.524 3.766 0.0455 -0.2216 0.6049 + 1686SOL HW2 6631 3.900 5.521 3.817 0.5768 -0.5780 -0.8545 + 1687SOL OW 6632 5.148 0.118 1.969 -0.1019 0.4920 -0.6441 + 1687SOL HW1 6633 5.215 0.182 1.991 0.6708 -0.3449 -0.5026 + 1687SOL HW2 6634 5.077 0.169 1.931 -0.4906 1.7194 1.5547 + 1688SOL OW 6635 0.143 1.604 0.921 -0.0206 -0.0067 -0.4054 + 1688SOL HW1 6636 0.184 1.524 0.888 -0.7823 -0.5849 0.0207 + 1688SOL HW2 6637 0.082 1.574 0.989 0.7349 1.0678 0.7889 + 1689SOL OW 6638 3.831 5.872 0.698 0.2654 0.0026 -0.3245 + 1689SOL HW1 6639 3.762 5.819 0.737 -0.5392 0.1353 -1.5325 + 1689SOL HW2 6640 3.912 5.829 0.725 -0.3571 -1.7442 -1.1277 + 1690SOL OW 6641 2.232 4.423 1.033 0.3815 0.4489 0.1123 + 1690SOL HW1 6642 2.157 4.465 1.076 -0.0500 -1.1487 0.9706 + 1690SOL HW2 6643 2.243 4.473 0.952 -1.2102 1.1041 0.2578 + 1691SOL OW 6644 0.046 0.106 4.683 -0.2459 1.0629 -0.3017 + 1691SOL HW1 6645 0.131 0.071 4.658 -1.5299 -2.0581 -0.8095 + 1691SOL HW2 6646 0.019 0.160 4.609 0.4265 0.3790 -1.0655 + 1692SOL OW 6647 2.706 4.727 5.285 -0.4339 0.3082 0.3662 + 1692SOL HW1 6648 2.787 4.746 5.332 -0.0411 1.3491 -0.6987 + 1692SOL HW2 6649 2.726 4.648 5.234 -1.2818 -1.6792 2.8531 + 1693SOL OW 6650 2.309 0.195 1.531 -0.3046 -0.7312 0.5574 + 1693SOL HW1 6651 2.356 0.131 1.583 2.7048 1.6638 1.1016 + 1693SOL HW2 6652 2.340 0.180 1.441 0.9516 0.2899 0.7868 + 1694SOL OW 6653 5.720 3.950 4.840 -0.1690 0.0673 -0.6442 + 1694SOL HW1 6654 5.691 4.021 4.782 -0.4022 0.0232 -0.5837 + 1694SOL HW2 6655 5.688 3.870 4.797 0.8828 -0.0806 -1.1985 + 1695SOL OW 6656 1.913 4.582 1.534 0.0243 -0.5898 -0.0142 + 1695SOL HW1 6657 1.821 4.559 1.519 0.7264 -2.9261 -1.1283 + 1695SOL HW2 6658 1.928 4.659 1.479 -1.7487 1.2476 1.8476 + 1696SOL OW 6659 0.114 3.625 2.749 0.0326 0.4767 0.4801 + 1696SOL HW1 6660 0.086 3.673 2.671 0.9019 0.7938 0.3615 + 1696SOL HW2 6661 0.172 3.685 2.795 0.6290 -0.2256 0.6606 + 1697SOL OW 6662 4.559 5.387 0.604 0.0622 0.3956 -0.3407 + 1697SOL HW1 6663 4.479 5.341 0.579 -0.4602 1.4635 -0.7344 + 1697SOL HW2 6664 4.581 5.439 0.527 1.3339 -0.1275 -0.3550 + 1698SOL OW 6665 2.478 5.999 1.142 -0.2092 -0.4325 -0.3109 + 1698SOL HW1 6666 2.390 6.007 1.179 -0.5637 0.2992 -1.2697 + 1698SOL HW2 6667 2.536 6.023 1.214 -0.7991 -0.7767 0.2910 + 1699SOL OW 6668 6.046 4.061 4.999 -0.1925 0.0795 -0.1031 + 1699SOL HW1 6669 5.963 4.019 5.020 -1.2564 0.6612 -2.6635 + 1699SOL HW2 6670 6.060 4.042 4.906 1.6075 1.5151 -0.2011 + 1700SOL OW 6671 4.617 0.360 1.233 -0.3642 0.4931 0.1093 + 1700SOL HW1 6672 4.566 0.316 1.165 -0.3350 0.3015 0.2108 + 1700SOL HW2 6673 4.691 0.301 1.248 -0.8834 0.0488 1.0088 + 1701SOL OW 6674 0.474 3.381 1.307 0.0088 -0.2556 0.2483 + 1701SOL HW1 6675 0.487 3.293 1.272 -1.6850 -1.1178 1.6004 + 1701SOL HW2 6676 0.405 3.419 1.252 -0.3102 -0.3547 0.5735 + 1702SOL OW 6677 2.221 5.203 1.271 0.2596 0.2798 0.1155 + 1702SOL HW1 6678 2.243 5.279 1.217 -0.9263 0.1321 -0.6003 + 1702SOL HW2 6679 2.288 5.202 1.340 1.4041 0.8608 -0.9634 + 1703SOL OW 6680 3.997 0.033 4.596 -0.5329 0.2216 0.5387 + 1703SOL HW1 6681 4.019 0.012 4.687 -1.6433 0.9233 0.9930 + 1703SOL HW2 6682 4.053 0.107 4.574 2.7013 -2.3506 -0.7529 + 1704SOL OW 6683 2.577 0.016 3.913 -0.2670 0.0256 0.0043 + 1704SOL HW1 6684 2.598 0.077 3.983 1.3799 -0.2265 -0.2394 + 1704SOL HW2 6685 2.660 -0.026 3.891 -1.0276 -1.0121 -1.0581 + 1705SOL OW 6686 1.388 2.307 4.562 0.1105 -0.1579 0.0469 + 1705SOL HW1 6687 1.424 2.299 4.474 -1.5912 1.4756 -0.8657 + 1705SOL HW2 6688 1.407 2.398 4.587 -0.2363 -0.3316 0.9867 + 1706SOL OW 6689 1.561 4.491 2.545 -0.2413 -0.2608 -0.2059 + 1706SOL HW1 6690 1.635 4.538 2.506 -0.6202 0.9008 0.4046 + 1706SOL HW2 6691 1.517 4.557 2.599 -0.2515 -1.5672 1.4754 + 1707SOL OW 6692 3.877 0.720 1.945 -0.2304 0.7109 -0.4413 + 1707SOL HW1 6693 3.945 0.660 1.914 -0.7149 0.3958 -0.8892 + 1707SOL HW2 6694 3.884 0.716 2.040 -1.7104 -1.7578 -0.3691 + 1708SOL OW 6695 5.469 5.943 3.474 -0.0455 -0.3698 0.2412 + 1708SOL HW1 6696 5.437 6.031 3.492 -1.5447 -0.9435 0.5736 + 1708SOL HW2 6697 5.548 5.956 3.422 -0.1493 1.1644 0.4223 + 1709SOL OW 6698 2.112 0.333 0.578 -0.1801 0.3226 0.1413 + 1709SOL HW1 6699 2.157 0.357 0.498 -2.6583 -0.9287 -1.7890 + 1709SOL HW2 6700 2.025 0.372 0.569 -1.7759 -2.8476 0.3637 + 1710SOL OW 6701 4.315 1.564 2.587 0.1301 0.1857 -0.3948 + 1710SOL HW1 6702 4.265 1.630 2.540 1.7639 0.6235 -1.6351 + 1710SOL HW2 6703 4.285 1.480 2.550 -0.1942 0.3976 -0.6173 + 1711SOL OW 6704 4.786 1.556 3.635 -0.3020 0.2466 -0.4278 + 1711SOL HW1 6705 4.720 1.492 3.612 -1.3488 0.9195 0.6158 + 1711SOL HW2 6706 4.834 1.571 3.553 -1.4139 -0.2712 -1.2011 + 1712SOL OW 6707 0.998 3.709 4.366 0.1596 -0.3412 -0.2632 + 1712SOL HW1 6708 1.084 3.670 4.348 0.6783 1.4388 -1.8751 + 1712SOL HW2 6709 1.014 3.770 4.437 -0.0814 -1.0067 0.3744 + 1713SOL OW 6710 3.328 6.061 3.482 0.2128 0.1584 -0.1374 + 1713SOL HW1 6711 3.234 6.060 3.464 0.2569 0.5485 -0.3860 + 1713SOL HW2 6712 3.335 6.099 3.569 0.2516 1.7310 -0.8043 + 1714SOL OW 6713 0.566 2.278 4.490 -0.0227 0.0140 -0.1616 + 1714SOL HW1 6714 0.622 2.288 4.413 1.7039 -0.1961 1.0271 + 1714SOL HW2 6715 0.500 2.214 4.462 1.6261 -1.4371 -0.9354 + 1715SOL OW 6716 6.173 2.671 0.500 -0.0324 0.2418 0.3841 + 1715SOL HW1 6717 6.250 2.704 0.547 -0.3451 -2.0255 2.7260 + 1715SOL HW2 6718 6.107 2.739 0.509 0.4692 0.5493 1.8756 + 1716SOL OW 6719 2.556 2.800 1.154 -0.2098 -0.5404 0.3450 + 1716SOL HW1 6720 2.643 2.835 1.135 0.5348 -3.3706 -2.1672 + 1716SOL HW2 6721 2.511 2.797 1.070 -1.8251 -1.5026 1.1779 + 1717SOL OW 6722 1.452 5.259 3.653 -0.2253 -0.8539 -0.1332 + 1717SOL HW1 6723 1.477 5.347 3.625 0.3556 -0.5486 1.2588 + 1717SOL HW2 6724 1.536 5.214 3.667 -0.5189 -1.4542 -0.2762 + 1718SOL OW 6725 4.624 1.280 5.042 -0.5017 -0.0850 -0.6014 + 1718SOL HW1 6726 4.594 1.267 5.132 -0.4814 1.3430 -0.3786 + 1718SOL HW2 6727 4.548 1.314 4.996 0.3474 2.4521 -0.2980 + 1719SOL OW 6728 0.697 4.463 5.261 0.9467 0.2507 1.1376 + 1719SOL HW1 6729 0.772 4.496 5.309 1.2303 -1.1113 1.6886 + 1719SOL HW2 6730 0.635 4.435 5.329 1.7990 -2.7209 0.8394 + 1720SOL OW 6731 3.503 0.534 3.922 0.2828 -0.0442 0.2349 + 1720SOL HW1 6732 3.516 0.492 3.837 -1.6485 3.2836 -1.9539 + 1720SOL HW2 6733 3.420 0.500 3.953 1.1157 -1.4629 1.0072 + 1721SOL OW 6734 2.793 0.045 0.823 -0.1002 -0.2534 0.0732 + 1721SOL HW1 6735 2.795 0.129 0.778 -1.3103 -0.0980 0.2973 + 1721SOL HW2 6736 2.701 0.021 0.827 -0.1834 0.1947 3.3125 + 1722SOL OW 6737 2.853 2.898 4.462 0.2049 -0.3821 -0.6275 + 1722SOL HW1 6738 2.884 2.981 4.498 -0.4016 -1.8704 3.8952 + 1722SOL HW2 6739 2.764 2.889 4.494 -0.0919 -2.3856 -1.8330 + 1723SOL OW 6740 0.939 5.715 0.585 -0.3811 -0.2118 0.0116 + 1723SOL HW1 6741 0.935 5.738 0.492 -1.4254 -2.6356 -0.6220 + 1723SOL HW2 6742 0.854 5.743 0.621 -0.4565 -0.3605 -0.0505 + 1724SOL OW 6743 2.212 2.936 2.445 0.1834 0.0645 -0.3523 + 1724SOL HW1 6744 2.299 2.898 2.460 0.7787 1.3533 -0.4617 + 1724SOL HW2 6745 2.158 2.861 2.421 0.8257 -1.0443 1.4731 + 1725SOL OW 6746 0.832 5.355 2.327 -0.8569 0.2500 0.5189 + 1725SOL HW1 6747 0.815 5.447 2.346 1.2389 0.4879 1.5708 + 1725SOL HW2 6748 0.893 5.327 2.395 -0.6325 -1.6375 -0.3800 + 1726SOL OW 6749 0.396 3.695 4.261 0.1274 0.0859 0.5579 + 1726SOL HW1 6750 0.400 3.640 4.339 -0.6702 0.0396 0.5744 + 1726SOL HW2 6751 0.398 3.634 4.187 -0.5747 0.0332 0.5737 + 1727SOL OW 6752 3.804 1.657 0.601 -0.1145 -0.2690 0.6779 + 1727SOL HW1 6753 3.795 1.595 0.674 -1.1295 0.1195 0.8940 + 1727SOL HW2 6754 3.716 1.665 0.565 0.4427 -0.8192 -0.9220 + 1728SOL OW 6755 2.712 2.501 1.016 0.8048 -0.1437 0.2079 + 1728SOL HW1 6756 2.737 2.420 0.972 1.3398 -0.6958 1.4840 + 1728SOL HW2 6757 2.623 2.486 1.048 0.9761 -0.3028 0.6127 + 1729SOL OW 6758 2.541 0.927 4.048 0.5680 -0.2183 0.2987 + 1729SOL HW1 6759 2.465 0.881 4.012 -0.8283 0.3569 2.3266 + 1729SOL HW2 6760 2.612 0.863 4.041 0.0915 -0.6092 -2.0949 + 1730SOL OW 6761 2.679 0.660 2.294 0.0770 0.4238 -0.0301 + 1730SOL HW1 6762 2.769 0.668 2.265 0.6887 0.2362 1.6924 + 1730SOL HW2 6763 2.637 0.605 2.228 1.4246 -0.1690 -0.4261 + 1731SOL OW 6764 6.204 3.769 4.744 -0.4954 0.6811 0.1859 + 1731SOL HW1 6765 6.140 3.723 4.797 -0.2439 0.2646 0.1316 + 1731SOL HW2 6766 6.160 3.850 4.717 -0.5081 1.0711 1.3170 + 1732SOL OW 6767 3.806 5.310 5.250 -0.0914 -0.1884 -0.6552 + 1732SOL HW1 6768 3.765 5.223 5.246 -0.1454 -0.1253 -1.6035 + 1732SOL HW2 6769 3.850 5.312 5.335 0.6618 -1.4796 -1.0021 + 1733SOL OW 6770 2.317 5.494 4.354 0.2578 -0.2579 0.4307 + 1733SOL HW1 6771 2.322 5.549 4.276 0.3808 1.0914 1.3638 + 1733SOL HW2 6772 2.231 5.511 4.390 1.0567 0.9695 1.8740 + 1734SOL OW 6773 6.177 5.258 2.505 0.2754 -0.2116 -0.3555 + 1734SOL HW1 6774 6.133 5.297 2.429 0.9204 -0.2932 -0.7818 + 1734SOL HW2 6775 6.226 5.184 2.468 1.0227 0.0717 0.0537 + 1735SOL OW 6776 4.307 2.771 2.037 0.2487 -0.0504 -0.2086 + 1735SOL HW1 6777 4.268 2.691 2.073 0.9734 -0.6224 -0.6647 + 1735SOL HW2 6778 4.253 2.792 1.961 0.6195 -0.6587 -0.6500 + 1736SOL OW 6779 1.771 0.227 0.713 -0.2719 0.0380 -0.0492 + 1736SOL HW1 6780 1.684 0.266 0.713 -0.6591 -0.8102 -0.0651 + 1736SOL HW2 6781 1.806 0.246 0.626 -0.7173 -0.2379 -0.2857 + 1737SOL OW 6782 4.785 0.509 4.074 -0.3888 0.4268 0.5031 + 1737SOL HW1 6783 4.760 0.417 4.080 1.4317 -0.0716 1.0825 + 1737SOL HW2 6784 4.830 0.527 4.157 -0.7894 1.8782 0.4354 + 1738SOL OW 6785 2.734 1.272 3.112 -0.0907 -0.3730 0.2288 + 1738SOL HW1 6786 2.724 1.187 3.155 -1.0527 0.5997 2.0523 + 1738SOL HW2 6787 2.645 1.306 3.105 0.2269 0.2730 -1.0018 + 1739SOL OW 6788 5.347 5.020 3.867 -0.6309 -0.1645 0.4901 + 1739SOL HW1 6789 5.266 4.979 3.896 0.1956 -0.3876 2.7116 + 1739SOL HW2 6790 5.404 5.016 3.943 1.1451 0.8545 -0.7110 + 1740SOL OW 6791 1.969 6.087 4.351 0.2359 0.0396 0.4764 + 1740SOL HW1 6792 2.009 6.011 4.307 -1.3014 0.5647 -2.0605 + 1740SOL HW2 6793 1.905 6.049 4.411 -1.5418 -0.8179 -1.7803 + 1741SOL OW 6794 4.727 3.785 0.431 -0.0973 0.6571 -0.3496 + 1741SOL HW1 6795 4.755 3.860 0.483 0.1073 -0.7431 1.6645 + 1741SOL HW2 6796 4.717 3.714 0.494 -1.6947 -0.6558 -1.9774 + 1742SOL OW 6797 2.738 0.407 4.738 -0.0852 0.0853 0.8187 + 1742SOL HW1 6798 2.769 0.366 4.819 -1.2973 -0.5830 0.9799 + 1742SOL HW2 6799 2.655 0.449 4.763 -0.2243 0.2970 0.0308 + 1743SOL OW 6800 1.305 3.712 2.288 -0.2136 -0.1830 -0.1543 + 1743SOL HW1 6801 1.251 3.772 2.236 0.0354 -1.4089 -1.9049 + 1743SOL HW2 6802 1.387 3.705 2.240 -0.2858 -2.0258 -0.0828 + 1744SOL OW 6803 1.515 4.006 0.213 0.7077 -0.3228 0.3399 + 1744SOL HW1 6804 1.440 4.055 0.182 1.1590 0.3812 0.3403 + 1744SOL HW2 6805 1.583 4.021 0.148 1.9624 1.9069 2.0071 + 1745SOL OW 6806 2.527 1.918 4.077 0.7870 -0.0721 -0.1287 + 1745SOL HW1 6807 2.548 1.826 4.094 0.6879 0.1529 1.3411 + 1745SOL HW2 6808 2.489 1.918 3.990 2.4674 -1.1598 -0.9228 + 1746SOL OW 6809 4.871 5.200 3.767 -0.4974 -0.7601 -0.0711 + 1746SOL HW1 6810 4.872 5.280 3.714 0.2071 0.1583 1.2407 + 1746SOL HW2 6811 4.944 5.213 3.829 0.6408 -3.1246 -0.8127 + 1747SOL OW 6812 5.053 1.854 0.794 -0.3457 0.4945 0.6809 + 1747SOL HW1 6813 5.087 1.943 0.787 -0.3215 0.4776 0.5814 + 1747SOL HW2 6814 4.973 1.862 0.845 0.1831 0.4397 1.5408 + 1748SOL OW 6815 2.746 2.015 0.613 0.3287 -0.1854 -0.0723 + 1748SOL HW1 6816 2.719 1.927 0.637 0.9911 -0.0200 1.3582 + 1748SOL HW2 6817 2.702 2.073 0.675 0.9009 0.3875 -0.1854 + 1749SOL OW 6818 2.652 0.769 1.887 -0.0210 0.3172 0.0355 + 1749SOL HW1 6819 2.578 0.788 1.829 -0.6982 0.5131 0.9390 + 1749SOL HW2 6820 2.622 0.798 1.973 1.2811 0.8162 0.3438 + 1750SOL OW 6821 4.592 0.334 2.333 0.2809 -0.0718 0.3390 + 1750SOL HW1 6822 4.663 0.386 2.371 0.4518 -0.7990 1.0563 + 1750SOL HW2 6823 4.525 0.398 2.312 1.5336 0.7668 -1.3223 + 1751SOL OW 6824 5.414 3.407 4.555 0.0734 0.0213 -0.4266 + 1751SOL HW1 6825 5.454 3.493 4.566 0.8584 -0.3008 -0.6788 + 1751SOL HW2 6826 5.418 3.367 4.642 -1.6095 0.7852 0.0185 + 1752SOL OW 6827 4.747 1.838 3.691 0.7598 0.2290 -0.6301 + 1752SOL HW1 6828 4.655 1.825 3.668 0.3103 -0.7807 1.5046 + 1752SOL HW2 6829 4.782 1.749 3.699 1.3192 0.5541 0.7815 + 1753SOL OW 6830 1.400 5.829 3.960 0.0628 0.5795 0.0835 + 1753SOL HW1 6831 1.446 5.842 4.043 -1.1230 -0.7067 0.9879 + 1753SOL HW2 6832 1.468 5.835 3.894 0.8250 3.1298 0.9842 + 1754SOL OW 6833 5.237 5.144 5.153 0.0210 -0.4645 -0.1623 + 1754SOL HW1 6834 5.232 5.111 5.242 -0.2191 0.1677 0.0577 + 1754SOL HW2 6835 5.309 5.093 5.113 0.7099 -0.1421 0.6468 + 1755SOL OW 6836 5.960 1.795 3.671 -0.0980 -0.4298 -0.1362 + 1755SOL HW1 6837 5.913 1.713 3.686 2.0547 -2.2486 -2.3476 + 1755SOL HW2 6838 5.893 1.857 3.642 -1.6193 -1.8005 0.3085 + 1756SOL OW 6839 5.932 1.543 1.222 -0.4208 0.2042 0.1902 + 1756SOL HW1 6840 5.849 1.587 1.203 -1.5157 -1.6293 0.5279 + 1756SOL HW2 6841 5.945 1.483 1.148 1.1552 1.1724 -0.3748 + 1757SOL OW 6842 4.381 0.415 3.424 -0.1476 -0.1713 -0.7221 + 1757SOL HW1 6843 4.288 0.413 3.446 0.4802 1.2367 2.6150 + 1757SOL HW2 6844 4.387 0.480 3.354 -1.5132 1.0152 0.2049 + 1758SOL OW 6845 6.273 4.204 5.002 -0.1669 0.3249 -0.5468 + 1758SOL HW1 6846 6.196 4.149 5.015 -0.1286 0.2676 -0.5630 + 1758SOL HW2 6847 6.347 4.148 5.028 -0.0445 0.0380 -1.4662 + 1759SOL OW 6848 0.823 1.022 5.156 0.4645 -0.7177 -0.0573 + 1759SOL HW1 6849 0.852 0.951 5.213 1.4666 -0.7212 -0.5649 + 1759SOL HW2 6850 0.902 1.052 5.112 -0.2795 -0.6985 -1.4440 + 1760SOL OW 6851 3.982 2.656 3.744 -0.5073 -0.4978 0.4977 + 1760SOL HW1 6852 3.902 2.708 3.745 -1.4820 -1.9278 0.3006 + 1760SOL HW2 6853 3.996 2.635 3.652 -0.3288 -0.8627 0.6031 + 1761SOL OW 6854 5.583 1.740 0.275 0.7677 -0.3399 -0.2699 + 1761SOL HW1 6855 5.585 1.717 0.182 -0.2186 -0.8955 -0.1584 + 1761SOL HW2 6856 5.531 1.820 0.279 0.5729 -0.4725 -0.1628 + 1762SOL OW 6857 1.770 0.448 3.825 -0.0786 -0.2059 0.6722 + 1762SOL HW1 6858 1.829 0.511 3.786 0.8266 -1.9720 -1.0131 + 1762SOL HW2 6859 1.822 0.403 3.891 -0.0410 -0.6170 0.3686 + 1763SOL OW 6860 6.294 4.532 1.267 -0.0908 -0.2930 0.2117 + 1763SOL HW1 6861 6.252 4.582 1.337 0.8243 -0.0262 0.5829 + 1763SOL HW2 6862 6.314 4.447 1.306 -1.2369 -0.8146 -0.2853 + 1764SOL OW 6863 1.325 4.038 0.930 0.4714 0.2165 -0.3516 + 1764SOL HW1 6864 1.335 4.133 0.937 0.4764 0.1218 1.2773 + 1764SOL HW2 6865 1.343 4.006 1.018 -0.9791 -1.1817 -0.5350 + 1765SOL OW 6866 1.743 2.340 5.123 0.3892 -0.0045 0.2952 + 1765SOL HW1 6867 1.703 2.260 5.088 0.2502 0.3146 -0.2924 + 1765SOL HW2 6868 1.824 2.350 5.072 0.5741 0.0443 0.5992 + 1766SOL OW 6869 1.953 2.616 1.069 -0.2378 0.2065 -0.2840 + 1766SOL HW1 6870 2.011 2.590 0.998 -0.3382 1.6363 -0.9188 + 1766SOL HW2 6871 1.886 2.548 1.072 -1.3400 1.0819 -2.8562 + 1767SOL OW 6872 0.771 1.556 3.271 -0.1910 0.0513 -0.1793 + 1767SOL HW1 6873 0.786 1.493 3.341 0.5380 -1.0173 -1.2573 + 1767SOL HW2 6874 0.713 1.510 3.210 0.1290 0.5158 -0.8470 + 1768SOL OW 6875 1.039 3.259 4.719 -0.6792 0.9841 0.3952 + 1768SOL HW1 6876 1.064 3.170 4.693 -0.6992 1.1899 -0.3694 + 1768SOL HW2 6877 0.983 3.248 4.795 -0.6759 0.3412 0.3057 + 1769SOL OW 6878 1.163 3.297 0.044 0.2014 -0.2878 -0.5243 + 1769SOL HW1 6879 1.186 3.355 0.117 0.2715 0.2557 -0.9809 + 1769SOL HW2 6880 1.069 3.281 0.055 0.4101 -1.0977 0.3177 + 1770SOL OW 6881 4.921 4.657 1.997 0.9719 0.0133 0.2535 + 1770SOL HW1 6882 4.868 4.579 2.010 -0.8428 1.1089 -0.2555 + 1770SOL HW2 6883 4.949 4.682 2.085 -3.2151 1.9279 1.2821 + 1771SOL OW 6884 4.909 3.683 2.321 -0.9646 0.1063 0.8060 + 1771SOL HW1 6885 4.861 3.766 2.316 -0.2354 0.4956 0.0600 + 1771SOL HW2 6886 4.963 3.690 2.399 -0.7955 0.4025 0.6643 + 1772SOL OW 6887 5.255 2.025 5.252 -0.4965 0.0045 0.4648 + 1772SOL HW1 6888 5.193 1.961 5.288 -0.4052 -0.2301 0.2073 + 1772SOL HW2 6889 5.339 1.980 5.251 -0.1554 0.5702 1.5133 + 1773SOL OW 6890 3.578 3.746 4.340 -0.3614 -0.2753 -0.0236 + 1773SOL HW1 6891 3.530 3.785 4.413 -1.6631 0.3929 -1.1896 + 1773SOL HW2 6892 3.669 3.745 4.369 -0.8698 -0.3474 1.7305 + 1774SOL OW 6893 5.709 5.669 4.190 0.2036 -0.2419 -0.1992 + 1774SOL HW1 6894 5.738 5.586 4.152 1.8991 -0.5042 1.5144 + 1774SOL HW2 6895 5.750 5.671 4.276 -1.7642 1.2967 0.7758 + 1775SOL OW 6896 5.836 1.689 2.964 -0.4594 0.0455 0.4630 + 1775SOL HW1 6897 5.769 1.629 2.931 0.4594 -0.2834 -0.8544 + 1775SOL HW2 6898 5.868 1.734 2.887 0.1764 0.8947 1.2070 + 1776SOL OW 6899 4.516 4.382 1.097 -0.7865 -0.0545 0.2173 + 1776SOL HW1 6900 4.430 4.423 1.099 -1.4408 -1.0647 -2.4750 + 1776SOL HW2 6901 4.538 4.377 1.004 1.4597 -1.3109 0.7326 + 1777SOL OW 6902 5.699 2.836 4.096 0.6307 -0.6129 0.4102 + 1777SOL HW1 6903 5.735 2.896 4.031 -0.3230 -0.6168 -0.1486 + 1777SOL HW2 6904 5.695 2.887 4.177 0.2333 -0.0464 0.0458 + 1778SOL OW 6905 1.397 0.053 2.302 0.5003 0.3491 -0.2353 + 1778SOL HW1 6906 1.407 -0.035 2.266 1.6211 0.6917 -0.7823 + 1778SOL HW2 6907 1.365 0.038 2.391 0.2623 -0.5911 -0.4598 + 1779SOL OW 6908 2.049 3.693 4.578 0.0975 0.6026 0.2055 + 1779SOL HW1 6909 2.050 3.766 4.641 -3.0510 -0.1532 1.3135 + 1779SOL HW2 6910 2.009 3.620 4.626 -1.0201 -0.4834 -2.1900 + 1780SOL OW 6911 1.871 1.050 0.229 0.4903 -0.4825 0.1185 + 1780SOL HW1 6912 1.801 1.050 0.164 0.4005 2.1990 0.1038 + 1780SOL HW2 6913 1.832 1.012 0.307 -0.3539 -0.8823 -0.4867 + 1781SOL OW 6914 2.665 0.830 3.389 0.6604 0.7145 0.9570 + 1781SOL HW1 6915 2.636 0.858 3.302 1.6526 1.9095 0.9860 + 1781SOL HW2 6916 2.589 0.841 3.445 -0.2397 -0.8273 0.1153 + 1782SOL OW 6917 1.011 5.259 5.187 -0.1882 0.6649 -0.0775 + 1782SOL HW1 6918 0.977 5.265 5.276 -0.3997 1.2236 -0.1909 + 1782SOL HW2 6919 1.048 5.346 5.170 -1.2053 0.9341 -0.9584 + 1783SOL OW 6920 1.954 4.930 5.064 -0.0351 0.5110 0.5598 + 1783SOL HW1 6921 2.036 4.936 5.112 0.6657 0.6290 -0.6029 + 1783SOL HW2 6922 1.929 5.021 5.047 0.0154 0.4611 0.2165 + 1784SOL OW 6923 2.147 0.009 3.210 0.2098 -0.7917 -0.4868 + 1784SOL HW1 6924 2.088 0.070 3.164 1.2085 -0.5025 -1.4122 + 1784SOL HW2 6925 2.115 0.009 3.300 0.4892 1.5310 -0.3272 + 1785SOL OW 6926 5.388 2.797 0.895 0.5477 0.2713 -0.8765 + 1785SOL 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1824SOL HW2 7045 2.400 2.264 1.979 1.2346 1.5863 -1.3164 + 1825SOL OW 7046 2.780 2.236 4.318 0.0687 -0.1709 0.3685 + 1825SOL HW1 7047 2.866 2.274 4.301 -0.2858 0.5367 0.1081 + 1825SOL HW2 7048 2.734 2.303 4.369 -0.1750 -0.7326 0.9071 + 1826SOL OW 7049 0.451 5.228 4.853 0.2258 0.2342 0.1726 + 1826SOL HW1 7050 0.493 5.176 4.922 1.3096 0.4036 -0.3473 + 1826SOL HW2 7051 0.519 5.287 4.822 0.6872 -1.6769 -2.9274 + 1827SOL OW 7052 2.812 3.240 1.883 0.1573 0.2353 0.0071 + 1827SOL HW1 7053 2.807 3.301 1.810 -2.0930 -0.3054 -0.3721 + 1827SOL HW2 7054 2.727 3.247 1.927 0.3551 -1.5587 0.8070 + 1828SOL OW 7055 1.298 2.943 0.698 -0.1794 -0.0348 0.0159 + 1828SOL HW1 7056 1.381 2.951 0.651 -0.2860 0.7104 -0.0542 + 1828SOL HW2 7057 1.298 3.016 0.759 -0.2472 -0.7344 0.8717 + 1829SOL OW 7058 0.202 3.901 1.521 0.0807 -0.0663 -0.2931 + 1829SOL HW1 7059 0.181 3.906 1.427 -0.9432 -1.4787 -0.1624 + 1829SOL HW2 7060 0.257 3.823 1.529 0.3605 0.1839 0.2564 + 1830SOL OW 7061 4.967 5.249 5.057 -0.1107 0.2684 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0.3325 0.6528 + 1836SOL OW 7079 0.196 4.540 2.006 0.3908 0.0994 0.0322 + 1836SOL HW1 7080 0.220 4.631 1.987 0.6777 0.1956 0.8148 + 1836SOL HW2 7081 0.276 4.490 1.990 -0.0268 -0.1691 -1.3509 + 1837SOL OW 7082 1.374 0.731 1.759 -0.2734 -0.0182 0.3041 + 1837SOL HW1 7083 1.443 0.668 1.782 0.6363 -0.6376 -3.3453 + 1837SOL HW2 7084 1.296 0.677 1.747 0.1841 -0.3647 -1.4980 + 1838SOL OW 7085 1.480 5.072 4.655 -0.5529 0.7585 0.3163 + 1838SOL HW1 7086 1.473 5.131 4.729 3.8158 2.8030 -0.6123 + 1838SOL HW2 7087 1.466 5.128 4.578 1.7979 0.3100 -0.5277 + 1839SOL OW 7088 5.577 3.036 0.736 0.0914 -0.2235 0.2890 + 1839SOL HW1 7089 5.588 3.050 0.642 0.0564 -0.5200 0.2397 + 1839SOL HW2 7090 5.665 3.014 0.768 -0.0464 -0.9941 0.1708 + 1840SOL OW 7091 4.414 4.488 1.355 0.1798 -0.1300 0.3873 + 1840SOL HW1 7092 4.382 4.567 1.313 -0.9016 -0.9013 -0.2837 + 1840SOL HW2 7093 4.445 4.433 1.283 2.0448 0.1198 0.9230 + 1841SOL OW 7094 1.594 3.216 1.636 0.3651 -0.7786 -0.2652 + 1841SOL HW1 7095 1.517 3.202 1.691 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2.902 0.1739 -0.2453 0.3212 + 1920SOL HW1 7332 4.990 2.302 2.895 0.1369 -0.7572 1.6279 + 1920SOL HW2 7333 5.094 2.412 2.884 0.1264 -0.9470 -5.3205 + 1921SOL OW 7334 0.588 3.663 5.136 -0.0263 -0.2424 0.6734 + 1921SOL HW1 7335 0.515 3.621 5.181 -0.6618 0.9828 0.8248 + 1921SOL HW2 7336 0.576 3.639 5.044 -0.9110 0.3519 0.6268 + 1922SOL OW 7337 6.093 0.849 2.833 -0.2812 -0.2287 -0.0217 + 1922SOL HW1 7338 6.023 0.805 2.785 0.0282 -0.0689 -0.6278 + 1922SOL HW2 7339 6.173 0.801 2.809 0.2521 1.3737 -1.6665 + 1923SOL OW 7340 5.201 5.583 4.957 0.3768 -0.4201 0.4875 + 1923SOL HW1 7341 5.283 5.622 4.928 -0.2099 0.4279 -0.0561 + 1923SOL HW2 7342 5.218 5.488 4.957 1.3656 -0.2491 0.4502 + 1924SOL OW 7343 4.928 3.898 3.505 -0.3060 -0.5764 -0.1507 + 1924SOL HW1 7344 4.946 3.921 3.596 -0.6200 -0.1972 -0.1786 + 1924SOL HW2 7345 4.965 3.811 3.493 -1.1607 -1.0645 0.6305 + 1925SOL OW 7346 4.405 3.123 0.694 0.1771 -0.1446 0.3845 + 1925SOL HW1 7347 4.466 3.195 0.712 -1.3579 1.5222 -0.6938 + 1925SOL HW2 7348 4.427 3.094 0.606 0.5684 -0.8095 0.6886 + 1926SOL OW 7349 2.251 1.015 1.568 0.1978 -0.1269 -0.2457 + 1926SOL HW1 7350 2.174 1.069 1.548 -0.3270 -0.7617 0.0157 + 1926SOL HW2 7351 2.294 1.002 1.484 1.3928 2.2252 -0.0910 + 1927SOL OW 7352 5.831 1.344 3.248 0.1198 0.2175 0.4297 + 1927SOL HW1 7353 5.754 1.400 3.259 0.1173 0.3280 -0.1186 + 1927SOL HW2 7354 5.898 1.403 3.213 0.7872 0.3725 1.8787 + 1928SOL OW 7355 6.045 2.717 1.267 0.1672 0.4064 -0.5085 + 1928SOL HW1 7356 5.954 2.699 1.244 0.1125 -0.3205 0.2393 + 1928SOL HW2 7357 6.039 2.785 1.334 -0.0157 -1.4519 1.4793 + 1929SOL OW 7358 0.626 4.440 0.276 -0.1625 -0.2502 0.5156 + 1929SOL HW1 7359 0.637 4.523 0.230 2.2445 -1.8949 -2.2735 + 1929SOL HW2 7360 0.706 4.430 0.327 -0.4588 -0.8453 0.8760 + 1930SOL OW 7361 4.959 4.229 3.664 0.7243 -0.4381 -1.2480 + 1930SOL HW1 7362 5.053 4.220 3.679 0.4903 0.9359 1.8036 + 1930SOL HW2 7363 4.922 4.146 3.693 0.7622 0.3731 1.3914 + 1931SOL OW 7364 1.597 5.762 4.925 0.3581 -0.1236 0.0422 + 1931SOL HW1 7365 1.613 5.737 4.833 1.4078 0.6209 0.0007 + 1931SOL HW2 7366 1.541 5.692 4.959 0.7151 -0.9093 -0.9097 + 1932SOL OW 7367 5.418 4.351 5.321 0.3452 -0.0929 -0.0589 + 1932SOL HW1 7368 5.395 4.366 5.229 1.0594 -0.8864 -0.3719 + 1932SOL HW2 7369 5.496 4.405 5.335 -0.3864 0.8874 0.4039 + 1933SOL OW 7370 3.324 1.375 2.647 -0.0238 0.5936 0.3715 + 1933SOL HW1 7371 3.287 1.303 2.597 1.9097 1.5336 -2.6472 + 1933SOL HW2 7372 3.256 1.398 2.710 -1.4236 -2.5780 0.1627 + 1934SOL OW 7373 2.952 6.129 4.067 0.1082 0.1821 -0.2697 + 1934SOL HW1 7374 2.988 6.187 4.134 0.7383 -0.8941 0.3503 + 1934SOL HW2 7375 2.883 6.181 4.025 -1.3387 0.4105 2.2043 + 1935SOL OW 7376 5.555 1.513 4.449 0.9279 -0.0833 0.4571 + 1935SOL HW1 7377 5.540 1.534 4.541 0.3770 -0.6336 0.4910 + 1935SOL HW2 7378 5.479 1.462 4.422 0.5818 0.9152 -0.5816 + 1936SOL OW 7379 4.208 3.161 2.177 -0.0541 -0.4692 0.0984 + 1936SOL HW1 7380 4.141 3.095 2.160 -0.9530 0.6115 -0.7131 + 1936SOL HW2 7381 4.213 3.213 2.097 -0.2466 1.1825 1.0947 + 1937SOL OW 7382 2.176 2.375 4.303 -0.6075 0.0741 -0.1644 + 1937SOL HW1 7383 2.142 2.429 4.374 0.3190 0.0751 0.3003 + 1937SOL HW2 7384 2.269 2.364 4.324 -0.5785 -0.9225 -0.7468 + 1938SOL OW 7385 3.023 3.247 4.116 0.0480 0.3429 -0.3336 + 1938SOL HW1 7386 3.103 3.199 4.097 -0.7558 -1.4857 0.7104 + 1938SOL HW2 7387 3.048 3.339 4.107 2.6480 -0.0971 1.3131 + 1939SOL OW 7388 2.536 3.992 0.389 0.1706 0.1520 0.0974 + 1939SOL HW1 7389 2.599 4.007 0.460 0.1290 0.4786 0.0699 + 1939SOL HW2 7390 2.560 4.057 0.322 -0.5702 0.6877 0.3395 + 1940SOL OW 7391 4.298 3.587 0.938 -0.7052 0.0139 -0.9529 + 1940SOL HW1 7392 4.203 3.580 0.933 -0.6065 -0.3690 -2.6998 + 1940SOL HW2 7393 4.320 3.665 0.886 -0.1111 0.6584 0.2142 + 1941SOL OW 7394 3.365 3.463 0.561 0.2451 0.5236 0.1090 + 1941SOL HW1 7395 3.348 3.532 0.496 -0.6184 0.9688 0.7872 + 1941SOL HW2 7396 3.298 3.397 0.543 1.9772 -0.9152 -1.5213 + 1942SOL OW 7397 4.488 0.430 3.699 -0.1021 0.8200 -0.0182 + 1942SOL HW1 7398 4.430 0.421 3.623 0.2191 0.1091 -0.1913 + 1942SOL HW2 7399 4.533 0.513 3.685 0.5281 0.3348 -1.0252 + 1943SOL OW 7400 5.612 5.739 0.806 -0.0392 0.1322 0.0859 + 1943SOL HW1 7401 5.664 5.738 0.887 0.8058 -1.1263 -0.4558 + 1943SOL HW2 7402 5.666 5.789 0.744 0.6997 -1.4199 -0.5639 + 1944SOL OW 7403 5.388 1.258 4.933 0.0600 -0.4919 0.3200 + 1944SOL HW1 7404 5.472 1.218 4.911 0.0957 -0.6366 0.7140 + 1944SOL HW2 7405 5.333 1.241 4.857 -0.8771 -3.9444 1.6073 + 1945SOL OW 7406 0.951 1.836 2.981 0.1691 0.6675 0.2235 + 1945SOL HW1 7407 1.013 1.870 3.046 1.0821 -0.3410 -0.1009 + 1945SOL HW2 7408 0.967 1.742 2.979 -0.6420 0.5337 -0.6461 + 1946SOL OW 7409 1.423 3.058 1.843 -0.7988 -0.8165 -0.3141 + 1946SOL HW1 7410 1.502 3.004 1.847 -0.1936 -0.0178 -1.1856 + 1946SOL HW2 7411 1.378 3.040 1.925 -0.3070 -2.1751 -0.3150 + 1947SOL OW 7412 5.020 5.164 3.076 0.2267 0.5147 -0.7864 + 1947SOL HW1 7413 5.078 5.229 3.116 0.0834 1.0756 -1.4722 + 1947SOL HW2 7414 4.967 5.215 3.014 -1.4922 0.1664 0.3231 + 1948SOL OW 7415 1.049 2.284 2.754 -0.2318 -0.4346 -0.1447 + 1948SOL HW1 7416 1.021 2.375 2.743 0.9104 0.1440 1.3690 + 1948SOL HW2 7417 0.972 2.238 2.786 -0.8606 -0.0457 -1.0745 + 1949SOL OW 7418 4.064 1.989 0.585 0.2684 -0.4320 0.3829 + 1949SOL HW1 7419 4.106 2.048 0.648 0.4639 -0.6941 0.4943 + 1949SOL HW2 7420 3.970 1.997 0.605 0.3298 -0.5085 0.6996 + 1950SOL OW 7421 2.518 2.946 1.847 -0.3242 0.7852 0.0498 + 1950SOL HW1 7422 2.462 2.991 1.909 -0.3013 -0.6284 1.1553 + 1950SOL HW2 7423 2.478 2.859 1.838 0.0632 0.7324 -1.4000 + 1951SOL OW 7424 4.070 0.300 1.688 -0.0782 0.7936 0.9747 + 1951SOL HW1 7425 4.025 0.296 1.773 3.0860 0.2037 2.7714 + 1951SOL HW2 7426 4.067 0.211 1.655 -2.3989 1.2437 -0.2874 + 1952SOL OW 7427 5.354 1.686 1.671 -0.1723 0.4269 -0.2675 + 1952SOL HW1 7428 5.325 1.748 1.604 0.9254 0.2674 -0.9241 + 1952SOL HW2 7429 5.407 1.623 1.623 0.0769 -0.0769 0.6561 + 1953SOL OW 7430 0.826 6.085 3.306 -0.7802 0.0087 -0.4201 + 1953SOL HW1 7431 0.840 6.180 3.309 -1.6243 0.1167 1.6931 + 1953SOL HW2 7432 0.906 6.049 3.345 -1.9702 0.1339 2.4262 + 1954SOL OW 7433 2.476 1.626 3.516 -0.4698 -0.3589 -0.3483 + 1954SOL HW1 7434 2.518 1.568 3.453 -1.8975 -0.1852 -1.5159 + 1954SOL HW2 7435 2.407 1.670 3.466 -2.8627 -1.5234 1.7041 + 1955SOL OW 7436 1.817 0.904 5.215 -0.0656 -0.4620 0.3350 + 1955SOL HW1 7437 1.768 0.978 5.177 -0.1066 0.1366 1.5082 + 1955SOL HW2 7438 1.815 0.837 5.147 0.4034 0.7920 -0.9655 + 1956SOL OW 7439 1.267 0.858 2.266 0.0933 -0.2101 0.5726 + 1956SOL HW1 7440 1.353 0.895 2.248 -0.3112 0.1354 -0.7706 + 1956SOL HW2 7441 1.251 0.797 2.194 -1.3481 0.7393 0.0430 + 1957SOL OW 7442 3.039 0.382 3.527 0.8189 -0.0961 -0.0900 + 1957SOL HW1 7443 3.084 0.326 3.590 0.5041 0.9484 1.0835 + 1957SOL HW2 7444 2.967 0.328 3.494 0.2420 -0.2593 1.3597 + 1958SOL OW 7445 3.534 2.158 2.757 0.3091 -0.0840 -0.1930 + 1958SOL HW1 7446 3.489 2.086 2.713 -0.3999 0.7431 -0.8509 + 1958SOL HW2 7447 3.509 2.236 2.708 1.5763 0.5441 0.1074 + 1959SOL OW 7448 1.863 5.474 4.837 -0.4986 -0.4999 0.2434 + 1959SOL HW1 7449 1.870 5.396 4.782 0.3817 -0.1489 -0.1554 + 1959SOL HW2 7450 1.860 5.547 4.775 -3.5001 -0.2720 0.4875 + 1960SOL OW 7451 4.297 2.830 4.052 0.3854 -0.5477 -0.3379 + 1960SOL HW1 7452 4.233 2.809 4.121 0.0951 -2.0689 -1.0207 + 1960SOL HW2 7453 4.338 2.746 4.032 2.3874 0.3398 -0.1647 + 1961SOL OW 7454 1.591 2.554 0.431 -0.1850 -0.0333 -0.3256 + 1961SOL HW1 7455 1.500 2.579 0.417 -0.6509 -1.4165 0.1295 + 1961SOL HW2 7456 1.598 2.541 0.526 0.4982 0.0714 -0.3549 + 1962SOL OW 7457 4.635 4.776 2.180 -0.7219 0.5694 0.3257 + 1962SOL HW1 7458 4.653 4.820 2.096 0.2180 0.1606 0.2939 + 1962SOL HW2 7459 4.672 4.835 2.246 -0.0611 0.1677 0.3287 + 1963SOL OW 7460 5.987 4.259 4.473 -0.1571 0.2750 0.5156 + 1963SOL HW1 7461 5.918 4.196 4.492 1.3497 -2.0368 -1.1641 + 1963SOL HW2 7462 6.054 4.242 4.539 0.8460 -0.9227 -0.7594 + 1964SOL OW 7463 1.226 2.356 0.989 -0.6206 -0.0209 0.2036 + 1964SOL HW1 7464 1.298 2.328 1.046 0.0352 0.7880 -0.2087 + 1964SOL HW2 7465 1.258 2.435 0.946 -1.4983 -0.0353 -0.5181 + 1965SOL OW 7466 5.291 3.884 3.397 -0.2625 0.9145 -0.6121 + 1965SOL HW1 7467 5.352 3.811 3.397 -0.4362 0.7600 -1.6130 + 1965SOL HW2 7468 5.228 3.862 3.467 -0.0802 0.3111 -0.6296 + 1966SOL OW 7469 5.789 0.435 3.061 -0.0840 0.1080 0.2194 + 1966SOL HW1 7470 5.719 0.372 3.042 0.0250 0.2280 -0.6364 + 1966SOL HW2 7471 5.869 0.390 3.035 0.0662 0.3160 0.3251 + 1967SOL OW 7472 3.225 2.608 4.190 -0.1998 0.1320 -0.1143 + 1967SOL HW1 7473 3.231 2.703 4.192 -0.8578 0.1770 -0.1357 + 1967SOL HW2 7474 3.283 2.579 4.260 1.3624 0.4760 -1.2178 + 1968SOL OW 7475 6.392 4.315 0.965 0.1314 0.2169 0.6374 + 1968SOL HW1 7476 6.343 4.321 0.882 -0.6027 1.4963 1.1368 + 1968SOL HW2 7477 6.439 4.232 0.959 -0.4029 -0.0094 -0.7996 + 1969SOL OW 7478 0.826 3.979 4.196 0.0432 -0.4376 0.2136 + 1969SOL HW1 7479 0.737 3.964 4.165 -0.5376 0.4490 1.3748 + 1969SOL HW2 7480 0.816 4.002 4.288 1.5240 -0.8313 0.4932 + 1970SOL OW 7481 3.024 5.897 4.676 0.5221 0.3550 0.4910 + 1970SOL HW1 7482 2.972 5.877 4.754 0.8894 0.7430 0.8354 + 1970SOL HW2 7483 2.982 5.974 4.638 0.3997 0.2231 0.3596 + 1971SOL OW 7484 6.501 1.080 0.579 0.3375 0.5874 -0.5647 + 1971SOL HW1 7485 6.505 1.024 0.501 0.4556 1.7685 -1.4317 + 1971SOL HW2 7486 6.483 1.167 0.544 1.1103 1.2640 0.6783 + 1972SOL OW 7487 2.928 0.408 3.238 0.0765 -0.1596 0.3265 + 1972SOL HW1 7488 2.903 0.482 3.294 -1.6499 -1.5321 1.4847 + 1972SOL HW2 7489 2.942 0.448 3.152 -2.9885 1.3243 0.3453 + 1973SOL OW 7490 3.195 1.211 1.729 -0.5254 -0.1748 -0.5185 + 1973SOL HW1 7491 3.121 1.195 1.788 0.9366 3.6636 2.7994 + 1973SOL HW2 7492 3.263 1.150 1.759 0.2163 1.7559 2.0474 + 1974SOL OW 7493 2.924 1.104 2.946 1.0925 -0.1510 0.2531 + 1974SOL HW1 7494 2.887 1.177 2.897 0.5224 -0.1444 0.6766 + 1974SOL HW2 7495 2.897 1.026 2.896 -0.5010 -0.2247 1.1389 + 1975SOL OW 7496 2.051 3.660 2.626 -0.3135 0.5535 0.3699 + 1975SOL HW1 7497 1.966 3.617 2.632 -0.3856 0.8358 1.5594 + 1975SOL HW2 7498 2.034 3.740 2.576 -1.0491 1.2906 1.7285 + 1976SOL OW 7499 3.464 1.014 2.059 -0.4226 -0.0038 -0.0349 + 1976SOL HW1 7500 3.534 1.035 1.997 -0.8240 -2.2143 -1.3542 + 1976SOL HW2 7501 3.505 1.023 2.145 0.1411 3.2212 -0.5102 + 1977SOL OW 7502 5.074 4.833 0.841 0.3552 -0.5289 -0.4176 + 1977SOL HW1 7503 5.139 4.875 0.784 1.4984 -2.3737 -0.5390 + 1977SOL HW2 7504 5.125 4.793 0.911 -0.8563 -0.2290 0.6749 + 1978SOL OW 7505 1.690 5.364 4.430 0.0852 0.4077 0.3258 + 1978SOL HW1 7506 1.691 5.282 4.381 -2.4945 -0.4947 1.5869 + 1978SOL HW2 7507 1.606 5.404 4.408 0.5862 1.9279 1.0090 + 1979SOL OW 7508 0.404 5.024 1.312 0.1466 0.1816 -0.5355 + 1979SOL HW1 7509 0.431 5.099 1.365 1.0746 -1.3902 1.3210 + 1979SOL HW2 7510 0.323 4.993 1.354 0.8709 -1.0541 -0.0047 + 1980SOL OW 7511 6.376 1.689 0.017 0.3420 -0.0964 0.1749 + 1980SOL HW1 7512 6.310 1.677 0.085 -0.8374 -0.8020 -1.0518 + 1980SOL HW2 7513 6.345 1.763 -0.035 0.0745 -0.9211 -0.8787 + 1981SOL OW 7514 1.033 4.401 4.595 -0.3604 0.1490 0.1506 + 1981SOL HW1 7515 0.948 4.444 4.592 -0.0032 0.8245 -2.8349 + 1981SOL HW2 7516 1.082 4.447 4.663 -1.6650 1.1482 0.4273 + 1982SOL OW 7517 1.068 1.239 5.255 0.2137 0.1201 0.3708 + 1982SOL HW1 7518 1.086 1.198 5.170 -1.0083 -0.2256 0.2467 + 1982SOL HW2 7519 1.076 1.167 5.318 -1.0064 -0.1324 0.2666 + 1983SOL OW 7520 2.273 -0.002 0.129 0.0944 0.3105 0.2111 + 1983SOL HW1 7521 2.238 0.071 0.078 1.9917 0.1902 -1.3855 + 1983SOL HW2 7522 2.292 -0.069 0.064 0.2831 -0.8324 1.4113 + 1984SOL OW 7523 4.747 5.169 4.557 -0.6005 0.2264 0.1310 + 1984SOL HW1 7524 4.711 5.207 4.637 -0.9571 0.2772 -0.0522 + 1984SOL HW2 7525 4.823 5.224 4.537 -0.9325 0.6588 0.0397 + 1985SOL OW 7526 1.679 1.862 0.589 0.2205 -0.2292 0.2345 + 1985SOL HW1 7527 1.679 1.949 0.628 2.2596 -0.9817 2.0771 + 1985SOL HW2 7528 1.734 1.870 0.511 1.0012 -0.0061 0.7970 + 1986SOL OW 7529 6.407 2.645 3.560 -0.1687 0.2423 0.1638 + 1986SOL HW1 7530 6.341 2.578 3.581 -0.6704 0.5064 -0.5324 + 1986SOL HW2 7531 6.443 2.617 3.476 0.1734 0.4310 0.2483 + 1987SOL OW 7532 0.287 0.500 1.329 0.0715 0.0348 -0.3045 + 1987SOL HW1 7533 0.205 0.548 1.334 -0.7683 -1.4086 0.4293 + 1987SOL HW2 7534 0.349 0.551 1.381 0.0294 1.7947 -1.8783 + 1988SOL OW 7535 4.484 5.073 5.171 0.3739 0.2733 -0.0531 + 1988SOL HW1 7536 4.429 5.075 5.093 0.4832 -1.2889 -0.2104 + 1988SOL HW2 7537 4.536 4.993 5.162 1.7658 1.0392 0.7099 + 1989SOL OW 7538 4.212 2.194 0.096 -0.7556 0.1600 -0.3213 + 1989SOL HW1 7539 4.174 2.197 0.183 1.2259 0.4376 0.5811 + 1989SOL HW2 7540 4.261 2.112 0.093 -2.1267 -0.6732 -1.8028 + 1990SOL OW 7541 0.301 4.092 3.369 0.6302 -0.1737 0.1534 + 1990SOL HW1 7542 0.247 4.057 3.440 1.7173 -3.3419 -0.3882 + 1990SOL HW2 7543 0.379 4.126 3.412 -0.0356 0.7578 0.6521 + 1991SOL OW 7544 1.070 0.485 5.229 -0.0869 0.5086 -0.0568 + 1991SOL HW1 7545 1.043 0.572 5.197 -0.2696 0.7081 0.6295 + 1991SOL HW2 7546 0.988 0.439 5.245 0.0065 0.3657 0.0085 + 1992SOL OW 7547 1.579 0.632 3.135 0.3172 0.0447 -0.0021 + 1992SOL HW1 7548 1.539 0.546 3.122 -0.6296 0.6416 -1.2673 + 1992SOL HW2 7549 1.509 0.686 3.171 0.4582 0.6637 -0.6303 + 1993SOL OW 7550 4.261 4.695 2.504 -0.3453 0.2759 0.0587 + 1993SOL HW1 7551 4.216 4.644 2.572 1.0329 -0.6132 0.3266 + 1993SOL HW2 7552 4.274 4.781 2.543 1.7082 -0.6391 1.5095 + 1994SOL OW 7553 0.707 4.997 0.208 0.7676 -0.0235 0.6326 + 1994SOL HW1 7554 0.755 5.078 0.191 -0.7976 1.5886 3.2381 + 1994SOL HW2 7555 0.625 5.006 0.158 0.0746 0.5893 1.8490 + 1995SOL OW 7556 4.372 5.416 1.294 0.1720 -0.8616 -0.6456 + 1995SOL HW1 7557 4.321 5.418 1.375 1.4510 -1.4424 0.2249 + 1995SOL HW2 7558 4.345 5.493 1.246 0.5772 0.4609 1.1238 + 1996SOL OW 7559 4.714 5.687 5.119 0.1830 -0.2004 -0.1147 + 1996SOL HW1 7560 4.747 5.627 5.052 2.6616 1.3158 -0.3645 + 1996SOL HW2 7561 4.703 5.632 5.197 3.0932 -0.9539 -0.1088 + 1997SOL OW 7562 2.005 4.647 0.012 -0.1799 0.1363 -0.0387 + 1997SOL HW1 7563 1.921 4.681 -0.019 -0.7577 -0.6069 0.6643 + 1997SOL HW2 7564 2.045 4.721 0.057 -0.8738 0.2474 0.4097 + 1998SOL OW 7565 3.669 2.369 0.314 0.0072 0.2747 -0.3938 + 1998SOL HW1 7566 3.599 2.330 0.262 -0.6963 -0.6120 1.1448 + 1998SOL HW2 7567 3.635 2.369 0.403 1.4234 1.1542 0.1749 + 1999SOL OW 7568 6.157 5.379 4.214 0.4399 -0.4706 0.3286 + 1999SOL HW1 7569 6.121 5.397 4.127 1.9361 -1.5956 -0.5736 + 1999SOL HW2 7570 6.100 5.427 4.274 -0.9289 -0.0576 -1.2236 + 2000SOL OW 7571 2.514 2.003 2.679 0.3452 -0.2743 -0.4219 + 2000SOL HW1 7572 2.570 2.047 2.743 -0.2762 0.8326 -0.6063 + 2000SOL HW2 7573 2.552 1.916 2.668 2.3468 0.6227 -0.9479 + 2001SOL OW 7574 3.131 2.908 1.363 0.2687 0.1093 -0.6169 + 2001SOL HW1 7575 3.220 2.922 1.398 0.3202 0.7785 -1.0088 + 2001SOL HW2 7576 3.108 2.991 1.323 -1.4676 0.7308 1.4849 + 2002SOL OW 7577 4.944 2.714 0.243 -0.7419 -0.6711 0.4246 + 2002SOL HW1 7578 4.924 2.710 0.150 0.8594 -1.2900 0.0745 + 2002SOL HW2 7579 4.920 2.628 0.277 0.8932 -1.2873 0.0771 + 2003SOL OW 7580 2.824 2.397 5.068 0.5572 -0.5007 -0.1310 + 2003SOL HW1 7581 2.866 2.313 5.046 -0.1387 -0.8258 -0.2268 + 2003SOL HW2 7582 2.852 2.455 4.997 0.2174 -0.9268 -0.6236 + 2004SOL OW 7583 2.803 1.582 2.216 -0.4090 0.5443 -0.0773 + 2004SOL HW1 7584 2.855 1.510 2.178 -0.1754 1.2908 -1.2126 + 2004SOL HW2 7585 2.741 1.605 2.148 -0.9802 0.9364 0.5667 + 2005SOL OW 7586 2.790 2.093 2.600 -0.0626 0.5306 0.8729 + 2005SOL HW1 7587 2.789 2.163 2.535 0.3613 -0.2701 -0.0143 + 2005SOL HW2 7588 2.732 2.026 2.565 -0.2285 0.3069 1.5637 + 2006SOL OW 7589 3.678 1.018 2.728 0.4343 -0.3855 0.0737 + 2006SOL HW1 7590 3.750 1.076 2.701 1.3395 -1.6980 -0.3958 + 2006SOL HW2 7591 3.690 0.939 2.676 -0.8635 -0.9556 0.6130 + 2007SOL OW 7592 4.274 2.498 2.851 -0.1802 0.2845 -0.1631 + 2007SOL HW1 7593 4.346 2.558 2.832 -0.7378 1.0083 -0.0290 + 2007SOL HW2 7594 4.287 2.472 2.942 1.3644 -1.6274 -0.8579 + 2008SOL OW 7595 6.069 1.763 3.284 0.3419 -0.2658 0.8014 + 2008SOL HW1 7596 6.058 1.857 3.278 -0.6182 -0.1781 2.9047 + 2008SOL HW2 7597 6.060 1.744 3.378 -0.6582 -2.5538 0.3158 + 2009SOL OW 7598 0.395 1.783 0.683 -0.4249 0.0325 -0.1653 + 2009SOL HW1 7599 0.391 1.871 0.645 2.4261 -1.0036 -3.4401 + 2009SOL HW2 7600 0.450 1.792 0.761 -1.4581 1.3645 0.4278 + 2010SOL OW 7601 2.587 1.503 2.895 -0.5235 -0.1650 -0.1990 + 2010SOL HW1 7602 2.571 1.545 2.979 0.0906 -1.5289 0.6465 + 2010SOL HW2 7603 2.510 1.448 2.881 -0.5160 -0.1231 -0.4090 + 2011SOL OW 7604 1.574 4.089 5.221 -0.0050 0.5109 0.0907 + 2011SOL HW1 7605 1.668 4.071 5.229 0.1441 0.3726 -1.5660 + 2011SOL HW2 7606 1.567 4.185 5.226 -0.0287 0.4388 2.1639 + 2012SOL OW 7607 4.402 1.066 4.832 -0.3210 -0.2021 -0.0813 + 2012SOL HW1 7608 4.479 1.008 4.831 -0.3642 -0.2510 -0.5584 + 2012SOL HW2 7609 4.373 1.066 4.923 -1.0108 -1.8355 -0.2767 + 2013SOL OW 7610 6.127 4.683 4.241 0.6878 0.0487 -0.0947 + 2013SOL HW1 7611 6.162 4.604 4.284 -2.0545 -0.0322 2.3079 + 2013SOL HW2 7612 6.044 4.699 4.285 0.0208 2.9760 -2.1415 + 2014SOL OW 7613 0.200 2.342 5.135 0.3424 -0.3938 0.6474 + 2014SOL HW1 7614 0.260 2.319 5.064 -1.6127 -0.7907 -0.9488 + 2014SOL HW2 7615 0.241 2.417 5.178 2.4520 -1.2739 0.2801 + 2015SOL OW 7616 0.486 4.263 3.195 -0.1266 -0.7155 -0.0029 + 2015SOL HW1 7617 0.493 4.325 3.123 1.7309 -1.3223 -0.3837 + 2015SOL HW2 7618 0.432 4.308 3.260 -2.6483 -0.5066 -2.0774 + 2016SOL OW 7619 5.867 1.393 1.663 -0.3676 0.1477 -0.0096 + 2016SOL HW1 7620 5.777 1.418 1.682 -0.7919 -0.2246 -1.4006 + 2016SOL HW2 7621 5.901 1.465 1.609 -0.0324 0.0068 0.0073 + 2017SOL OW 7622 3.995 4.627 5.145 0.2385 -0.1504 0.8842 + 2017SOL HW1 7623 4.050 4.556 5.111 2.3471 1.4848 0.6208 + 2017SOL HW2 7624 4.044 4.660 5.221 -0.9156 0.7301 1.2684 + 2018SOL OW 7625 0.172 2.065 3.582 -0.4623 -0.2839 0.1281 + 2018SOL HW1 7626 0.081 2.038 3.576 -1.2777 2.3824 -0.5294 + 2018SOL HW2 7627 0.194 2.097 3.495 1.5182 -1.8655 -0.0423 + 2019SOL OW 7628 4.423 5.240 2.494 0.1853 -0.3083 0.3192 + 2019SOL HW1 7629 4.364 5.256 2.420 0.7392 2.1706 0.3239 + 2019SOL HW2 7630 4.448 5.327 2.524 0.7217 -1.2572 2.8653 + 2020SOL OW 7631 4.611 5.713 0.658 0.1378 -0.4072 -0.2282 + 2020SOL HW1 7632 4.703 5.696 0.677 0.3663 1.0318 0.1178 + 2020SOL HW2 7633 4.569 5.715 0.744 0.3378 1.6888 -0.1179 + 2021SOL OW 7634 3.496 2.777 2.875 -0.0319 -0.0082 -0.3551 + 2021SOL HW1 7635 3.430 2.711 2.895 0.7688 -0.4456 0.9793 + 2021SOL HW2 7636 3.487 2.842 2.945 0.6057 0.1855 -0.4447 + 2022SOL OW 7637 4.807 2.488 0.643 -0.6865 -0.2177 -0.6606 + 2022SOL HW1 7638 4.842 2.553 0.703 -1.4886 -0.4189 0.0472 + 2022SOL HW2 7639 4.816 2.405 0.690 -4.5504 -0.0214 0.8117 + 2023SOL OW 7640 5.252 5.531 1.393 0.5141 0.2635 -0.4699 + 2023SOL HW1 7641 5.169 5.579 1.391 -0.0506 -0.6210 0.5283 + 2023SOL HW2 7642 5.226 5.439 1.403 1.6275 0.0481 0.7226 + 2024SOL OW 7643 4.432 5.447 0.884 0.1641 0.0645 0.5797 + 2024SOL HW1 7644 4.456 5.403 0.803 2.1964 1.1278 0.5385 + 2024SOL HW2 7645 4.383 5.381 0.934 0.7822 -1.3161 -0.5806 + 2025SOL OW 7646 0.918 0.565 3.943 0.0408 -0.5009 -0.1171 + 2025SOL HW1 7647 0.841 0.572 3.999 0.9940 -1.3668 1.3636 + 2025SOL HW2 7648 0.992 0.570 4.003 1.0967 -2.4100 -1.1596 + 2026SOL OW 7649 3.765 5.210 0.267 0.1174 -0.1053 -0.4840 + 2026SOL HW1 7650 3.782 5.304 0.257 3.9958 -0.9194 -3.8438 + 2026SOL HW2 7651 3.683 5.195 0.220 -0.3563 1.5022 -0.2288 + 2027SOL OW 7652 0.727 3.622 4.112 -0.1240 0.4055 0.2253 + 2027SOL HW1 7653 0.718 3.714 4.138 -1.1284 0.0248 1.3106 + 2027SOL HW2 7654 0.730 3.574 4.195 1.1747 -0.4920 -0.3154 + 2028SOL OW 7655 1.768 4.097 1.937 0.2496 0.5306 -0.3362 + 2028SOL HW1 7656 1.856 4.060 1.925 0.4743 -0.1927 2.7429 + 2028SOL HW2 7657 1.756 4.153 1.860 3.1446 0.1902 -1.1906 + 2029SOL OW 7658 2.672 0.205 4.115 -0.0155 -0.7726 0.6743 + 2029SOL HW1 7659 2.673 0.229 4.208 -1.7135 -3.7553 1.6116 + 2029SOL HW2 7660 2.740 0.139 4.106 1.1538 0.5495 -0.6149 + 2030SOL OW 7661 0.076 1.917 5.319 0.5386 -0.1976 -0.5260 + 2030SOL HW1 7662 0.052 2.008 5.340 0.4100 -0.3286 -0.0851 + 2030SOL HW2 7663 0.049 1.905 5.229 0.6216 0.2283 -0.6117 + 2031SOL OW 7664 4.400 5.124 3.312 0.1834 -0.3209 -0.0818 + 2031SOL HW1 7665 4.351 5.149 3.389 1.6036 -0.1531 0.8048 + 2031SOL HW2 7666 4.446 5.044 3.337 0.6737 -0.2617 -0.7435 + 2032SOL OW 7667 0.340 0.288 4.449 0.2238 -0.5148 -0.3996 + 2032SOL HW1 7668 0.431 0.318 4.459 -0.1591 0.3308 0.6595 + 2032SOL HW2 7669 0.295 0.321 4.526 -0.9199 -1.2353 -0.7382 + 2033SOL OW 7670 2.781 1.898 3.356 -0.3130 -0.2524 0.2260 + 2033SOL HW1 7671 2.826 1.906 3.440 -0.7434 1.5065 0.3382 + 2033SOL HW2 7672 2.844 1.856 3.298 0.4128 -0.4154 1.1131 + 2034SOL OW 7673 2.564 0.434 4.019 0.0376 -0.1589 -0.7837 + 2034SOL HW1 7674 2.591 0.355 4.066 -1.5024 -1.0864 -1.4106 + 2034SOL HW2 7675 2.547 0.498 4.089 -2.2738 -1.5287 0.0334 + 2035SOL OW 7676 0.375 4.487 4.382 0.3522 0.6092 0.0989 + 2035SOL HW1 7677 0.421 4.553 4.433 -1.5004 1.8767 0.2498 + 2035SOL HW2 7678 0.366 4.525 4.295 1.2421 -0.4391 -0.4710 + 2036SOL OW 7679 3.433 1.832 4.314 -0.2705 -0.6871 -0.7715 + 2036SOL HW1 7680 3.391 1.879 4.242 -2.7175 -0.4534 0.7370 + 2036SOL HW2 7681 3.460 1.900 4.375 -1.8092 -1.0521 0.3666 + 2037SOL OW 7682 5.549 3.358 4.782 0.4912 0.7961 -0.1228 + 2037SOL HW1 7683 5.640 3.386 4.791 0.4652 0.3290 2.7171 + 2037SOL HW2 7684 5.505 3.396 4.858 -1.7372 1.0554 -1.4437 + 2038SOL OW 7685 2.605 5.885 0.167 -0.2701 -0.5289 0.1711 + 2038SOL HW1 7686 2.617 5.881 0.262 0.1729 0.4364 0.1796 + 2038SOL HW2 7687 2.524 5.935 0.155 -0.1058 -0.2834 0.0520 + 2039SOL OW 7688 2.262 5.746 0.630 0.3954 -0.5744 0.0888 + 2039SOL HW1 7689 2.171 5.725 0.651 0.4383 -0.8122 0.0321 + 2039SOL HW2 7690 2.273 5.836 0.661 -0.1411 -0.2060 -0.7669 + 2040SOL OW 7691 5.557 3.569 3.889 -0.2260 -0.3972 0.2245 + 2040SOL HW1 7692 5.559 3.645 3.947 1.0125 -1.3895 1.5349 + 2040SOL HW2 7693 5.569 3.606 3.801 -1.3690 1.0475 0.6357 + 2041SOL OW 7694 4.535 2.835 2.185 0.0445 0.4231 -0.0480 + 2041SOL HW1 7695 4.530 2.740 2.180 -0.3914 0.2649 2.3039 + 2041SOL HW2 7696 4.459 2.866 2.134 -0.3662 -0.5223 -0.0262 + 2042SOL OW 7697 2.559 3.943 5.270 0.2217 -0.0263 0.0476 + 2042SOL HW1 7698 2.628 3.977 5.212 1.3557 -1.4290 0.5161 + 2042SOL HW2 7699 2.486 4.003 5.257 0.3443 -0.3561 -3.0000 + 2043SOL OW 7700 4.108 2.686 0.689 -0.1273 0.0917 -0.5694 + 2043SOL HW1 7701 4.197 2.663 0.714 -0.2481 1.7274 1.6281 + 2043SOL HW2 7702 4.054 2.616 0.726 0.0755 0.1893 -0.0827 + 2044SOL OW 7703 5.607 0.990 0.909 0.4346 -0.2110 0.0447 + 2044SOL HW1 7704 5.588 0.920 0.847 0.4945 0.5143 -0.8019 + 2044SOL HW2 7705 5.542 1.057 0.889 0.5254 0.0756 0.6982 + 2045SOL OW 7706 6.522 2.532 1.599 -0.0858 0.0795 0.3387 + 2045SOL HW1 7707 6.496 2.620 1.626 -1.6471 -0.1955 -0.2012 + 2045SOL HW2 7708 6.441 2.489 1.573 0.6908 -1.4247 0.2700 + 2046SOL OW 7709 6.566 0.915 0.333 -0.4414 0.1821 0.0157 + 2046SOL HW1 7710 6.567 0.970 0.254 -0.3924 0.5738 0.2902 + 2046SOL HW2 7711 6.498 0.850 0.316 0.1754 -0.2946 -0.7362 + 2047SOL OW 7712 2.853 2.727 4.224 -0.3234 0.5160 0.0940 + 2047SOL HW1 7713 2.873 2.811 4.183 3.7732 -0.4968 -0.4277 + 2047SOL HW2 7714 2.864 2.744 4.318 -3.6316 1.3727 0.4614 + 2048SOL OW 7715 2.872 0.788 2.540 -0.2043 0.1700 -0.1180 + 2048SOL HW1 7716 2.818 0.710 2.550 -0.6741 0.2984 -1.5117 + 2048SOL HW2 7717 2.824 0.856 2.586 1.8253 -0.9475 4.1952 + 2049SOL OW 7718 2.452 1.337 3.188 0.3847 0.3256 0.1309 + 2049SOL HW1 7719 2.490 1.425 3.183 -0.6853 0.8097 0.1463 + 2049SOL HW2 7720 2.374 1.348 3.243 0.6722 -0.7964 0.7982 + 2050SOL OW 7721 5.746 3.302 2.592 -0.0910 -0.3345 0.0590 + 2050SOL HW1 7722 5.742 3.397 2.578 -1.6725 -0.2934 0.5425 + 2050SOL HW2 7723 5.761 3.266 2.505 2.9097 0.3964 0.1407 + 2051SOL OW 7724 3.215 4.655 4.530 0.2561 0.2814 0.6381 + 2051SOL HW1 7725 3.124 4.648 4.501 0.0197 1.4037 1.0684 + 2051SOL HW2 7726 3.250 4.730 4.482 1.2608 -0.6842 -0.2322 + 2052SOL OW 7727 0.170 0.905 1.763 -0.3960 -0.3916 0.1568 + 2052SOL HW1 7728 0.125 0.988 1.746 0.0492 0.2229 1.7802 + 2052SOL HW2 7729 0.236 0.898 1.694 -0.0266 0.9284 0.3492 + 2053SOL OW 7730 1.024 6.099 3.855 0.1256 -0.0554 0.1229 + 2053SOL HW1 7731 1.082 6.031 3.889 1.4889 0.3858 -1.2038 + 2053SOL HW2 7732 1.046 6.177 3.907 0.2472 -0.0583 0.0769 + 2054SOL OW 7733 2.593 1.032 4.947 0.2192 -0.7075 0.0884 + 2054SOL HW1 7734 2.573 1.124 4.928 4.7105 0.1338 -1.8547 + 2054SOL HW2 7735 2.616 1.031 5.040 -0.7609 -0.1052 0.3498 + 2055SOL OW 7736 6.056 3.140 2.758 -0.2206 -0.3142 -1.0916 + 2055SOL HW1 7737 6.023 3.074 2.819 0.7320 -0.6975 -0.9717 + 2055SOL HW2 7738 6.033 3.107 2.672 1.6661 -1.6570 -1.1321 + 2056SOL OW 7739 4.509 1.436 0.027 -0.4360 0.9107 0.4918 + 2056SOL HW1 7740 4.520 1.379 0.104 1.2430 -2.0193 -1.7313 + 2056SOL HW2 7741 4.433 1.400 -0.019 0.4289 0.6463 -0.7729 + 2057SOL OW 7742 5.127 5.245 2.051 0.3491 -0.0991 0.0520 + 2057SOL HW1 7743 5.081 5.198 1.981 -1.6238 0.9327 0.5837 + 2057SOL HW2 7744 5.057 5.275 2.109 1.9350 -1.2634 2.7345 + 2058SOL OW 7745 2.194 5.756 5.039 0.2491 0.1269 -0.1220 + 2058SOL HW1 7746 2.207 5.838 4.990 -0.2603 -0.3636 -1.1067 + 2058SOL HW2 7747 2.157 5.784 5.122 0.7816 0.9535 -0.1462 + 2059SOL OW 7748 4.219 4.970 4.604 0.1789 -0.8155 -0.1357 + 2059SOL HW1 7749 4.154 4.968 4.674 0.3977 -0.5531 0.0743 + 2059SOL HW2 7750 4.171 4.943 4.526 -0.4907 0.5884 -0.2377 + 2060SOL OW 7751 2.378 1.393 3.979 -0.1154 0.2878 0.1500 + 2060SOL HW1 7752 2.357 1.445 3.902 -0.4811 0.0164 0.0627 + 2060SOL HW2 7753 2.447 1.333 3.950 -0.9192 -0.4714 -0.2418 + 2061SOL OW 7754 2.758 2.711 2.635 -0.0697 -0.2848 -0.3311 + 2061SOL HW1 7755 2.777 2.673 2.550 0.0941 -1.1137 0.0629 + 2061SOL HW2 7756 2.766 2.805 2.622 -1.2333 -0.3244 -1.5208 + 2062SOL OW 7757 0.300 2.037 0.325 0.0922 0.3181 0.2352 + 2062SOL HW1 7758 0.275 2.017 0.235 0.3166 0.9173 0.0354 + 2062SOL HW2 7759 0.245 1.979 0.379 -1.2905 1.1727 -0.2078 + 2063SOL OW 7760 5.006 3.561 4.938 -0.5479 -0.2947 0.2453 + 2063SOL HW1 7761 4.988 3.521 4.853 0.6621 1.5344 -0.9422 + 2063SOL HW2 7762 4.920 3.589 4.971 -0.9319 -0.1360 -0.8502 + 2064SOL OW 7763 4.451 5.016 4.776 -0.0376 -0.0160 -0.1552 + 2064SOL HW1 7764 4.482 5.106 4.773 0.7594 -0.3081 -1.5307 + 2064SOL HW2 7765 4.369 5.017 4.726 1.0682 -0.4148 -2.0814 + 2065SOL OW 7766 5.226 2.894 3.806 0.5561 0.2271 -0.2923 + 2065SOL HW1 7767 5.305 2.865 3.759 1.6505 0.9002 1.0608 + 2065SOL HW2 7768 5.211 2.983 3.773 1.6326 0.9015 0.9304 + 2066SOL OW 7769 2.375 3.990 0.853 -0.5172 -0.4634 -0.2938 + 2066SOL HW1 7770 2.290 4.032 0.837 -0.0809 0.6478 0.1953 + 2066SOL HW2 7771 2.421 4.051 0.910 0.8634 -0.7500 -1.0707 + 2067SOL OW 7772 5.572 3.237 0.497 0.2545 -0.4475 0.3986 + 2067SOL HW1 7773 5.511 3.164 0.490 -1.6867 1.1334 -0.3296 + 2067SOL HW2 7774 5.583 3.268 0.407 2.2075 -0.6721 0.5035 + 2068SOL OW 7775 2.973 0.722 0.963 0.7179 0.2356 0.0600 + 2068SOL HW1 7776 2.944 0.812 0.947 0.9285 -0.0308 -2.1603 + 2068SOL HW2 7777 2.914 0.689 1.031 -0.1596 1.6649 0.0285 + 2069SOL OW 7778 0.941 4.041 2.768 -0.2937 0.5125 -0.2256 + 2069SOL HW1 7779 0.862 4.079 2.728 0.0344 1.3725 -0.0642 + 2069SOL HW2 7780 0.980 4.112 2.818 0.2432 -0.0862 0.2281 + 2070SOL OW 7781 6.519 3.660 5.105 0.2567 0.5059 0.3166 + 2070SOL HW1 7782 6.475 3.655 5.020 1.1765 -0.3220 -0.1348 + 2070SOL HW2 7783 6.609 3.685 5.085 0.3686 0.7643 1.0914 + 2071SOL OW 7784 6.047 5.689 0.466 -0.7004 0.2368 -0.1540 + 2071SOL HW1 7785 6.125 5.643 0.496 -0.2397 1.0146 -0.1426 + 2071SOL HW2 7786 5.975 5.648 0.516 -0.3957 -0.8663 -0.5789 + 2072SOL OW 7787 2.205 2.125 2.701 -0.2531 0.2264 0.0830 + 2072SOL HW1 7788 2.161 2.209 2.686 -0.2119 -0.0321 -1.6520 + 2072SOL HW2 7789 2.293 2.137 2.665 0.2074 -0.1625 1.0309 + 2073SOL OW 7790 6.300 1.998 1.172 0.3615 0.3436 0.2651 + 2073SOL HW1 7791 6.290 2.082 1.127 -1.8464 0.1857 0.3487 + 2073SOL HW2 7792 6.348 1.944 1.109 0.0792 1.0672 -0.6107 + 2074SOL OW 7793 0.296 2.867 1.759 -0.7620 -0.1166 0.1254 + 2074SOL HW1 7794 0.243 2.893 1.835 -1.1399 -2.4079 0.7232 + 2074SOL HW2 7795 0.381 2.907 1.775 -1.4832 1.3181 0.5684 + 2075SOL OW 7796 2.273 1.418 3.357 0.2717 0.2509 -0.7345 + 2075SOL HW1 7797 2.182 1.389 3.366 0.1713 0.6071 -0.5968 + 2075SOL HW2 7798 2.318 1.382 3.433 0.1412 0.4740 -0.5495 + 2076SOL OW 7799 3.336 5.354 5.034 1.1671 -0.4953 -0.4178 + 2076SOL HW1 7800 3.326 5.435 4.983 0.1799 0.8373 1.7487 + 2076SOL HW2 7801 3.345 5.285 4.968 0.0218 1.1354 -2.3976 + 2077SOL OW 7802 4.983 4.836 5.225 -0.4190 0.1916 -0.2869 + 2077SOL HW1 7803 4.918 4.838 5.155 -0.6979 -2.7920 -0.2373 + 2077SOL HW2 7804 4.971 4.919 5.271 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0.2481 + 2454SOL HW2 8935 1.981 3.404 4.362 2.0281 -1.1966 1.6151 + 2455SOL OW 8936 3.985 1.156 2.706 -0.3251 0.0220 -0.2479 + 2455SOL HW1 8937 4.078 1.142 2.689 0.0140 0.5440 1.0276 + 2455SOL HW2 8938 3.981 1.239 2.753 -1.2358 -0.8449 1.3051 + 2456SOL OW 8939 2.927 1.876 3.578 0.2405 -0.0714 0.7816 + 2456SOL HW1 8940 2.956 1.827 3.656 0.3344 0.0925 0.8498 + 2456SOL HW2 8941 3.008 1.893 3.529 0.0369 -1.3985 -0.0696 + 2457SOL OW 8942 5.922 4.777 5.190 -0.8799 0.5351 0.0307 + 2457SOL HW1 8943 5.861 4.720 5.238 -0.8023 -0.5424 -1.1022 + 2457SOL HW2 8944 5.893 4.866 5.211 -0.9117 0.1125 1.9629 + 2458SOL OW 8945 2.496 3.483 0.123 -0.0274 0.2272 -0.4618 + 2458SOL HW1 8946 2.538 3.400 0.146 1.3065 1.1793 0.7586 + 2458SOL HW2 8947 2.532 3.546 0.187 -0.3160 1.9160 -1.8901 + 2459SOL OW 8948 5.073 4.677 0.317 -0.6079 0.2395 0.2365 + 2459SOL HW1 8949 5.120 4.605 0.275 -0.3447 -0.1241 1.1221 + 2459SOL HW2 8950 5.040 4.730 0.244 -0.2467 -0.4134 -0.4208 + 2460SOL OW 8951 3.290 3.582 1.785 -0.1726 -0.4876 0.0359 + 2460SOL HW1 8952 3.232 3.656 1.799 -0.0878 -0.3159 -0.4914 + 2460SOL HW2 8953 3.252 3.535 1.711 0.1753 -0.5580 -0.1043 + 2461SOL OW 8954 0.089 6.061 0.707 -0.7717 -0.0569 -0.8731 + 2461SOL HW1 8955 0.079 6.089 0.798 -2.1713 -0.6012 -0.8447 + 2461SOL HW2 8956 0.074 5.966 0.709 2.2093 -0.6415 -1.2172 + 2462SOL OW 8957 3.753 1.742 2.518 0.2710 0.2720 -0.9188 + 2462SOL HW1 8958 3.778 1.668 2.573 0.7198 -0.1046 -1.6124 + 2462SOL HW2 8959 3.768 1.711 2.428 -0.1767 0.9700 -1.2419 + 2463SOL OW 8960 5.562 1.437 3.151 0.9852 0.0253 -0.5009 + 2463SOL HW1 8961 5.553 1.435 3.246 0.7529 -0.4641 -0.5318 + 2463SOL HW2 8962 5.502 1.369 3.120 -0.1428 1.2370 -1.0829 + 2464SOL OW 8963 2.707 1.859 1.614 -0.0127 -0.6680 -0.3056 + 2464SOL HW1 8964 2.789 1.901 1.591 -0.9883 0.9980 -0.9278 + 2464SOL HW2 8965 2.668 1.917 1.681 -0.2163 -1.9780 0.7606 + 2465SOL OW 8966 0.401 6.153 4.449 0.3255 -0.3914 -0.3266 + 2465SOL HW1 8967 0.490 6.155 4.414 1.7577 -1.3692 2.8689 + 2465SOL HW2 8968 0.375 6.062 4.442 0.6658 -0.6229 1.0105 + 2466SOL OW 8969 1.046 3.095 4.370 0.4733 -0.7769 -0.2393 + 2466SOL HW1 8970 1.136 3.096 4.337 0.4639 -0.1988 -0.2681 + 2466SOL HW2 8971 1.012 3.181 4.346 -1.0573 -2.0021 -2.8548 + 2467SOL OW 8972 0.176 1.723 4.783 -0.4264 -0.0512 -0.6484 + 2467SOL HW1 8973 0.092 1.747 4.745 0.3166 3.9079 -0.1844 + 2467SOL HW2 8974 0.157 1.713 4.877 -0.2356 2.4492 -0.2731 + 2468SOL OW 8975 0.952 6.081 1.932 0.7278 0.7552 0.7873 + 2468SOL HW1 8976 0.993 6.111 1.851 -0.9816 0.8568 -0.0935 + 2468SOL HW2 8977 0.899 6.155 1.960 1.0752 0.6136 1.8584 + 2469SOL OW 8978 6.235 2.566 3.316 0.3562 -0.6323 0.3698 + 2469SOL HW1 8979 6.271 2.585 3.229 -0.4958 1.1308 0.3587 + 2469SOL HW2 8980 6.147 2.604 3.314 -0.1925 -1.7763 1.5557 + 2470SOL OW 8981 2.791 3.629 0.204 -0.2354 -0.2834 -0.2672 + 2470SOL HW1 8982 2.852 3.680 0.257 -1.0150 -0.2365 0.5915 + 2470SOL HW2 8983 2.754 3.692 0.143 -0.8927 0.1022 0.5210 + 2471SOL OW 8984 0.674 3.440 4.769 0.1796 -0.4039 -0.6699 + 2471SOL HW1 8985 0.678 3.495 4.691 1.0467 -0.9543 -1.0269 + 2471SOL HW2 8986 0.662 3.351 4.735 -0.5492 -0.5267 -0.1259 + 2472SOL OW 8987 4.677 2.044 2.699 -0.4179 0.3815 -0.3173 + 2472SOL HW1 8988 4.645 2.057 2.788 -1.3415 2.0140 -0.8515 + 2472SOL HW2 8989 4.613 1.984 2.660 0.6571 -1.3389 0.4282 + 2473SOL OW 8990 3.809 4.606 5.360 -0.2831 -0.1503 0.0590 + 2473SOL HW1 8991 3.777 4.606 5.270 0.1301 0.1654 -0.0880 + 2473SOL HW2 8992 3.789 4.693 5.393 2.1459 0.7526 -0.6608 + 2474SOL OW 8993 5.263 0.786 1.310 0.1734 0.1739 -0.2150 + 2474SOL HW1 8994 5.251 0.699 1.347 -1.6359 0.7229 0.6455 + 2474SOL HW2 8995 5.194 0.794 1.244 -1.6175 1.8879 1.6879 + 2475SOL OW 8996 0.663 1.990 1.722 0.0897 -0.4236 -0.1646 + 2475SOL HW1 8997 0.708 1.911 1.751 3.3902 1.2943 -0.0783 + 2475SOL HW2 8998 0.694 2.004 1.633 0.0573 1.0267 0.0180 + 2476SOL OW 8999 2.058 3.996 0.863 0.9840 -0.0438 -0.2671 + 2476SOL HW1 9000 2.052 4.080 0.819 -0.7591 0.3015 0.5551 + 2476SOL HW2 9001 2.002 3.938 0.812 0.9003 -0.2898 0.0988 + 2477SOL OW 9002 1.150 1.787 2.798 0.1818 0.0774 0.0314 + 2477SOL HW1 9003 1.060 1.807 2.823 -0.3113 -0.4103 -1.2802 + 2477SOL HW2 9004 1.145 1.699 2.759 1.3976 -0.3898 0.8505 + 2478SOL OW 9005 0.065 1.998 1.092 0.2015 0.0771 0.0246 + 2478SOL HW1 9006 -0.003 1.941 1.057 0.8093 -0.2190 -0.6974 + 2478SOL HW2 9007 0.131 2.003 1.022 0.9041 0.3849 0.6948 + 2479SOL OW 9008 4.027 5.086 1.170 -0.3208 -0.6682 -0.5684 + 2479SOL HW1 9009 4.059 5.118 1.254 -0.8658 -0.2105 -0.5273 + 2479SOL HW2 9010 3.938 5.055 1.188 -0.4936 -0.4382 -0.9998 + 2480SOL OW 9011 4.340 1.802 1.949 -0.0328 -0.2693 0.0706 + 2480SOL HW1 9012 4.357 1.830 1.860 -0.1949 1.5304 0.5719 + 2480SOL HW2 9013 4.326 1.883 1.998 -1.0145 -1.2610 1.5142 + 2481SOL OW 9014 0.844 1.387 3.475 0.0788 -0.1794 0.2292 + 2481SOL HW1 9015 0.932 1.368 3.508 0.4896 1.8767 0.3922 + 2481SOL HW2 9016 0.788 1.384 3.553 0.1596 -0.4858 0.2791 + 2482SOL OW 9017 5.565 2.212 3.846 0.9852 0.1950 0.0509 + 2482SOL HW1 9018 5.553 2.151 3.773 -0.0288 1.4865 -0.9241 + 2482SOL HW2 9019 5.640 2.266 3.820 1.2521 0.0088 0.4337 + 2483SOL OW 9020 0.314 4.584 4.868 0.3364 -0.5433 -0.1093 + 2483SOL HW1 9021 0.318 4.500 4.821 0.0860 0.7359 -2.5454 + 2483SOL HW2 9022 0.384 4.636 4.830 -0.4754 0.8925 0.3094 + 2484SOL OW 9023 1.016 0.344 1.056 0.0998 -0.3649 0.2322 + 2484SOL HW1 9024 0.983 0.361 0.968 1.5082 0.0048 -0.2444 + 2484SOL HW2 9025 0.984 0.256 1.077 0.3587 -0.7579 -0.9332 + 2485SOL OW 9026 5.454 0.928 4.983 -0.2981 0.0572 -0.4589 + 2485SOL HW1 9027 5.510 0.991 4.938 0.9004 -0.0401 0.8417 + 2485SOL HW2 9028 5.509 0.890 5.051 -1.1180 -2.1292 -0.9367 + 2486SOL OW 9029 3.647 0.898 1.524 -0.0725 0.9841 0.2794 + 2486SOL HW1 9030 3.731 0.873 1.563 0.3212 -1.3675 -1.7716 + 2486SOL HW2 9031 3.668 0.919 1.434 -1.5202 1.7275 0.0918 + 2487SOL OW 9032 0.615 3.736 0.418 -0.1441 0.0064 0.1804 + 2487SOL HW1 9033 0.697 3.689 0.404 0.2381 -0.0844 2.2949 + 2487SOL HW2 9034 0.553 3.668 0.445 -0.7460 0.1742 -0.7351 + 2488SOL OW 9035 4.827 2.575 4.027 -0.7010 0.1099 -0.2575 + 2488SOL HW1 9036 4.862 2.663 4.033 -3.2495 1.1579 0.3960 + 2488SOL HW2 9037 4.822 2.557 3.933 1.8965 -0.3174 -0.3935 + 2489SOL OW 9038 6.142 4.642 5.291 -0.3307 0.7378 -0.7868 + 2489SOL HW1 9039 6.082 4.704 5.250 -0.7471 -0.6884 -2.4668 + 2489SOL HW2 9040 6.229 4.673 5.266 -0.4941 1.1310 -0.8704 + 2490SOL OW 9041 3.892 4.039 4.973 -0.2521 -0.1644 -0.0549 + 2490SOL HW1 9042 3.810 4.005 5.010 -1.3502 2.7217 0.4480 + 2490SOL HW2 9043 3.877 4.133 4.964 2.1467 0.1295 -2.3290 + 2491SOL OW 9044 4.731 2.312 1.663 0.1466 0.2165 -0.1205 + 2491SOL HW1 9045 4.750 2.235 1.717 -0.4974 -0.0359 -0.2453 + 2491SOL HW2 9046 4.739 2.280 1.573 0.2067 0.3821 -0.1739 + 2492SOL OW 9047 6.169 5.813 2.314 -0.2166 0.5287 -0.2252 + 2492SOL HW1 9048 6.235 5.775 2.373 -1.0441 0.7752 0.8938 + 2492SOL HW2 9049 6.157 5.746 2.247 -0.2217 -0.3608 0.6344 + 2493SOL OW 9050 5.251 4.072 0.797 -0.0361 -1.0890 -0.1419 + 2493SOL HW1 9051 5.198 4.146 0.829 -0.7189 -0.6357 -2.1729 + 2493SOL HW2 9052 5.287 4.032 0.876 -0.1112 1.0747 1.0534 + 2494SOL OW 9053 6.156 1.113 3.884 0.2069 1.0578 0.5530 + 2494SOL HW1 9054 6.164 1.192 3.832 -0.0947 1.1364 0.6245 + 2494SOL HW2 9055 6.087 1.063 3.841 1.5798 0.0096 -0.5400 + 2495SOL OW 9056 1.478 0.867 2.532 -0.3851 -0.5721 0.2871 + 2495SOL HW1 9057 1.485 0.955 2.493 0.7136 -0.4578 0.7201 + 2495SOL HW2 9058 1.391 0.837 2.507 0.5115 -0.8159 -2.9067 + 2496SOL OW 9059 0.230 1.501 1.344 0.0310 -0.1114 0.0494 + 2496SOL HW1 9060 0.149 1.483 1.392 0.2445 1.1218 0.9140 + 2496SOL HW2 9061 0.210 1.475 1.254 -0.5259 -2.0628 0.6694 + 2497SOL OW 9062 1.900 5.640 3.302 0.2477 -0.0808 -0.1802 + 2497SOL HW1 9063 1.928 5.564 3.251 -0.0374 -0.4833 0.2536 + 2497SOL HW2 9064 1.976 5.697 3.304 0.0667 0.2546 -1.6127 + 2498SOL OW 9065 2.148 3.011 0.089 0.1642 -0.0501 0.0097 + 2498SOL HW1 9066 2.087 3.025 0.017 -0.9554 0.3439 0.9950 + 2498SOL HW2 9067 2.204 3.089 0.089 -1.2112 0.9953 0.8433 + 2499SOL OW 9068 0.513 3.489 3.390 -0.1207 0.0647 -0.3688 + 2499SOL HW1 9069 0.547 3.572 3.424 1.7937 -0.6009 -0.5588 + 2499SOL HW2 9070 0.482 3.510 3.302 -0.1322 0.6731 -0.2236 + 2500SOL OW 9071 6.041 0.311 0.870 -0.5926 -0.0105 0.1407 + 2500SOL HW1 9072 6.038 0.405 0.891 0.1175 -0.7001 4.1430 + 2500SOL HW2 9073 6.135 0.293 0.859 -0.7717 -0.1852 -1.2141 + 2501SOL OW 9074 2.639 3.828 1.565 0.5625 -0.0016 -0.3541 + 2501SOL HW1 9075 2.557 3.800 1.525 0.4568 -1.0374 0.5328 + 2501SOL HW2 9076 2.617 3.906 1.616 -0.4233 -1.5984 1.7880 + 2502SOL OW 9077 6.297 5.390 0.231 -0.2830 -0.2204 -0.3216 + 2502SOL HW1 9078 6.307 5.453 0.302 -0.1797 -0.1637 -0.3864 + 2502SOL HW2 9079 6.230 5.428 0.174 -0.4788 -0.3404 -0.1726 + 2503SOL OW 9080 3.935 1.653 5.017 0.5383 -0.5306 -0.5626 + 2503SOL HW1 9081 3.890 1.681 4.937 0.0687 -1.7712 -0.7603 + 2503SOL HW2 9082 4.028 1.666 4.998 0.4123 -0.5019 -1.1862 + 2504SOL OW 9083 3.985 1.297 0.548 -0.2594 0.3163 0.1711 + 2504SOL HW1 9084 3.985 1.250 0.631 -0.9787 -0.0992 -0.0547 + 2504SOL HW2 9085 3.892 1.302 0.523 -0.0387 0.2972 -0.6874 + 2505SOL OW 9086 6.049 5.184 3.073 -0.7773 0.6372 -0.2669 + 2505SOL HW1 9087 5.970 5.136 3.046 -1.2601 0.6969 0.9568 + 2505SOL HW2 9088 6.026 5.221 3.159 1.4063 -1.4369 1.3451 + 2506SOL OW 9089 5.594 3.622 3.621 -0.3066 0.0117 0.5123 + 2506SOL HW1 9090 5.673 3.567 3.622 0.2247 0.7383 1.1765 + 2506SOL HW2 9091 5.622 3.703 3.578 -0.6357 0.3418 0.9054 + 2507SOL OW 9092 2.233 0.071 0.409 0.2968 0.1777 -0.5649 + 2507SOL HW1 9093 2.231 0.069 0.313 0.7987 2.3917 -0.6765 + 2507SOL HW2 9094 2.143 0.092 0.434 0.6804 2.3203 -0.7494 + 2508SOL OW 9095 5.838 1.072 1.973 -0.1558 -0.4192 -0.2450 + 2508SOL HW1 9096 5.925 1.072 1.932 0.5577 -0.7703 1.1999 + 2508SOL HW2 9097 5.822 0.980 1.994 0.5735 -0.0435 2.3394 + 2509SOL OW 9098 5.997 0.859 0.247 -0.0083 0.1003 0.3890 + 2509SOL HW1 9099 5.956 0.779 0.213 -1.3908 1.0892 -0.3686 + 2509SOL HW2 9100 6.067 0.877 0.185 0.7705 -0.8797 0.9506 + 2510SOL OW 9101 0.891 1.043 1.531 -0.4015 0.1334 0.4002 + 2510SOL HW1 9102 0.947 0.977 1.572 0.9338 0.0504 -1.4421 + 2510SOL HW2 9103 0.899 1.119 1.588 1.5048 0.0762 0.2663 + 2511SOL OW 9104 2.268 3.233 1.049 -0.2302 0.7496 -0.0525 + 2511SOL HW1 9105 2.295 3.307 0.995 0.4112 0.3719 -0.2467 + 2511SOL HW2 9106 2.346 3.180 1.059 -0.9534 -0.5158 -0.8649 + 2512SOL OW 9107 1.852 2.858 3.258 -0.2742 0.4857 0.1210 + 2512SOL HW1 9108 1.831 2.900 3.341 -1.0634 0.7670 -0.2146 + 2512SOL HW2 9109 1.824 2.921 3.192 1.2378 0.6911 -0.3583 + 2513SOL OW 9110 5.951 4.092 2.346 0.2653 0.0446 -0.1768 + 2513SOL HW1 9111 5.992 4.105 2.261 2.8484 0.0176 0.9685 + 2513SOL HW2 9112 6.023 4.096 2.409 -1.6599 1.2519 2.1550 + 2514SOL OW 9113 4.862 5.674 3.409 0.2844 -0.1570 0.1549 + 2514SOL HW1 9114 4.770 5.687 3.386 0.8907 -0.1601 -2.5341 + 2514SOL HW2 9115 4.865 5.585 3.445 -0.7285 -0.2191 0.1216 + 2515SOL OW 9116 1.172 5.803 4.839 -0.5397 0.3266 -0.1865 + 2515SOL HW1 9117 1.087 5.809 4.796 0.1394 -0.3607 -1.6944 + 2515SOL HW2 9118 1.169 5.720 4.887 -0.7640 0.3499 -0.1626 + 2516SOL OW 9119 2.844 1.884 4.778 -0.2184 -0.0856 0.8235 + 2516SOL HW1 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3.497 0.474 0.288 0.6452 0.2909 2.9618 + 2707SOL HW2 9694 3.598 0.562 0.216 -0.8744 -0.9925 -0.9870 + 2708SOL OW 9695 3.289 1.387 1.562 -0.0605 -0.0108 0.0844 + 2708SOL HW1 9696 3.229 1.340 1.620 -1.4372 0.3938 -0.9521 + 2708SOL HW2 9697 3.310 1.324 1.493 -0.3546 0.2584 -0.2569 + 2709SOL OW 9698 0.607 3.209 3.439 0.5070 -0.2304 -0.2717 + 2709SOL HW1 9699 0.695 3.225 3.472 0.5110 -0.3666 -0.2180 + 2709SOL HW2 9700 0.567 3.296 3.435 0.7605 -0.1267 -0.6266 + 2710SOL OW 9701 3.569 4.188 4.599 -0.2259 -0.1174 -0.2028 + 2710SOL HW1 9702 3.663 4.203 4.600 -0.2284 -0.0812 -0.3968 + 2710SOL HW2 9703 3.536 4.234 4.676 0.0151 -0.8237 0.3313 + 2711SOL OW 9704 4.608 5.503 0.382 0.2072 0.1320 -0.3025 + 2711SOL HW1 9705 4.680 5.494 0.320 0.9433 -2.1861 0.7525 + 2711SOL HW2 9706 4.610 5.595 0.409 2.4588 0.2540 -0.6996 + 2712SOL OW 9707 1.530 3.165 4.187 -0.1246 -0.0158 -0.1083 + 2712SOL HW1 9708 1.577 3.085 4.163 -0.1074 0.0577 -0.3194 + 2712SOL HW2 9709 1.438 3.142 4.177 -0.1108 0.6721 -2.4488 + 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2718SOL HW2 9727 4.465 4.287 0.346 0.2807 3.0128 -2.7054 + 2719SOL OW 9728 6.242 5.846 1.050 0.4569 -0.1300 0.2136 + 2719SOL HW1 9729 6.197 5.875 0.970 1.5823 -2.8677 -1.5466 + 2719SOL HW2 9730 6.172 5.816 1.107 -0.2272 -1.0622 -1.0543 + 2720SOL OW 9731 5.195 1.371 0.910 0.5990 0.6763 0.2134 + 2720SOL HW1 9732 5.108 1.336 0.891 1.2133 0.8916 -3.9543 + 2720SOL HW2 9733 5.203 1.447 0.852 2.9670 1.7345 1.7684 + 2721SOL OW 9734 3.929 2.704 4.922 -1.0925 -0.6588 0.3310 + 2721SOL HW1 9735 4.008 2.662 4.956 -1.3167 -0.9354 0.5150 + 2721SOL HW2 9736 3.888 2.743 5.000 -2.3772 -2.5337 0.6658 + 2722SOL OW 9737 0.014 0.361 1.161 0.2273 -0.4139 0.4376 + 2722SOL HW1 9738 0.063 0.408 1.093 1.7328 -1.1898 0.9324 + 2722SOL HW2 9739 0.043 0.400 1.243 -0.4738 -0.4592 0.7090 + 2723SOL OW 9740 0.126 1.521 5.235 0.1192 -0.4458 -0.0401 + 2723SOL HW1 9741 0.203 1.486 5.189 -0.5859 0.5808 -2.0877 + 2723SOL HW2 9742 0.108 1.456 5.303 1.3979 -1.8841 -1.0067 + 2724SOL OW 9743 6.141 5.718 3.580 -0.3467 -0.0408 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6734CL CL21731 1.143 5.519 5.004 0.0491 -0.0989 -0.2071 + 6.56251 6.18724 5.35847 0.00000 0.00000 2.18737 0.00000 -2.18737 3.09334 diff --git a/biobb_wf_md_setup/tests/python/reference/step16_mdrun_md/md.log b/biobb_wf_md_setup/tests/python/reference/step16_mdrun_md/md.log new file mode 100644 index 0000000..9efab4e --- /dev/null +++ b/biobb_wf_md_setup/tests/python/reference/step16_mdrun_md/md.log @@ -0,0 +1,1204 @@ + :-) GROMACS - gmx mdrun, 2022.2-conda_forge (-: + +Copyright 1991-2022 The GROMACS Authors. +GROMACS is free software; you can redistribute it and/or modify it +under the terms of the GNU Lesser General Public License +as published by the Free Software Foundation; either version 2.1 +of the License, or (at your option) any later version. + + Current GROMACS contributors: + Mark Abraham Andrey Alekseenko Cathrine Bergh + Christian Blau Eliane Briand Kevin Boyd + Oliver Fleetwood Stefan Fleischmann Vytas Gapsys + Gaurav Garg Gilles Gouaillardet Alan Gray + Victor Holanda M. Eric Irrgang Joe Jordan + Christoph Junghans Prashanth Kanduri Sebastian Kehl + Sebastian Keller Carsten Kutzner Magnus Lundborg + Pascal Merz Dmitry Morozov Szilard Pall + Roland Schulz Michael Shirts David van der Spoel + Alessandra Villa Sebastian Wingbermuehle Artem Zhmurov + + Previous GROMACS contributors: + Emile Apol Rossen Apostolov James Barnett + Herman J.C. Berendsen Par Bjelkmar Viacheslav Bolnykh + Aldert van Buuren Carlo Camilloni Rudi van Drunen + Anton Feenstra Gerrit Groenhof Bert de Groot + Anca Hamuraru Vincent Hindriksen Aleksei Iupinov + Dimitrios Karkoulis Peter Kasson Jiri Kraus + Per Larsson Justin A. Lemkul Viveca Lindahl + Erik Marklund Pieter Meulenhoff Vedran Miletic + Teemu Murtola Sander Pronk Alexey Shvetsov + Alfons Sijbers Peter Tieleman Jon Vincent + Teemu Virolainen Christian Wennberg Maarten Wolf + + Coordinated by the GROMACS project leaders: + Paul Bauer, Berk Hess, and Erik Lindahl + +GROMACS: gmx mdrun, version 2022.2-conda_forge +Executable: /home/gbayarri/anaconda3/envs/biobb_wf_md_setup/bin.AVX2_256/gmx +Data prefix: /home/gbayarri/anaconda3/envs/biobb_wf_md_setup +Working dir: /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python +Process ID: 16323 +Command line: + gmx -nobackup -nocopyright mdrun -o /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_b81ac017-913d-4c1e-b758-00d8bc93e298/md.trr -s /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_b81ac017-913d-4c1e-b758-00d8bc93e298/gppmd.tpr -c /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_b81ac017-913d-4c1e-b758-00d8bc93e298/md.gro -e /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_b81ac017-913d-4c1e-b758-00d8bc93e298/md.edr -g /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_b81ac017-913d-4c1e-b758-00d8bc93e298/md.log -cpo /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_b81ac017-913d-4c1e-b758-00d8bc93e298/md.cpt + +GROMACS version: 2022.2-conda_forge +Precision: mixed +Memory model: 64 bit +MPI library: thread_mpi +OpenMP support: enabled (GMX_OPENMP_MAX_THREADS = 128) +GPU support: OpenCL +SIMD instructions: AVX2_256 +CPU FFT library: fftw-3.3.10-sse2-avx +GPU FFT library: clFFT +RDTSCP usage: enabled +TNG support: enabled +Hwloc support: disabled +Tracing support: disabled +C compiler: /home/conda/feedstock_root/build_artifacts/gromacs_1657275263449/_build_env/bin/x86_64-conda-linux-gnu-cc GNU 10.3.0 +C compiler flags: -mavx2 -mfma -Wno-missing-field-initializers -fexcess-precision=fast -funroll-all-loops -O3 -DNDEBUG +C++ compiler: /home/conda/feedstock_root/build_artifacts/gromacs_1657275263449/_build_env/bin/x86_64-conda-linux-gnu-c++ GNU 10.3.0 +C++ compiler flags: -mavx2 -mfma -Wno-missing-field-initializers -fexcess-precision=fast -funroll-all-loops -fopenmp -O3 -DNDEBUG +OpenCL include dir: /home/gbayarri/anaconda3/envs/biobb_wf_md_setup/include +OpenCL library: /home/gbayarri/anaconda3/envs/biobb_wf_md_setup/lib/libOpenCL.so +OpenCL version: 2.2 + + +Running on 1 node with total 4 cores, 4 processing units (GPU detection failed) +Hardware detected: + CPU info: + Vendor: Intel + Brand: Intel(R) Core(TM) i5-6600 CPU @ 3.30GHz + Family: 6 Model: 94 Stepping: 3 + Features: aes apic avx avx2 clfsh cmov cx8 cx16 f16c fma htt intel lahf mmx msr nonstop_tsc pcid pclmuldq pdcm pdpe1gb popcnt pse rdrnd rdtscp sse2 sse3 sse4.1 sse4.2 ssse3 tdt x2apic + Hardware topology: Basic + Packages, cores, and logical processors: + [indices refer to OS logical processors] + Package 0: [ 0] [ 1] [ 2] [ 3] + CPU limit set by OS: -1 Recommended max number of threads: 4 + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +M. J. Abraham, T. Murtola, R. Schulz, S. Páll, J. C. Smith, B. Hess, E. +Lindahl +GROMACS: High performance molecular simulations through multi-level +parallelism from laptops to supercomputers +SoftwareX 1 (2015) pp. 19-25 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +S. Páll, M. J. Abraham, C. Kutzner, B. Hess, E. Lindahl +Tackling Exascale Software Challenges in Molecular Dynamics Simulations with +GROMACS +In S. Markidis & E. Laure (Eds.), Solving Software Challenges for Exascale 8759 (2015) pp. 3-27 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +S. Pronk, S. Páll, R. Schulz, P. Larsson, P. Bjelkmar, R. Apostolov, M. R. +Shirts, J. C. Smith, P. M. Kasson, D. van der Spoel, B. Hess, and E. Lindahl +GROMACS 4.5: a high-throughput and highly parallel open source molecular +simulation toolkit +Bioinformatics 29 (2013) pp. 845-54 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +B. Hess and C. Kutzner and D. van der Spoel and E. Lindahl +GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable +molecular simulation +J. Chem. Theory Comput. 4 (2008) pp. 435-447 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +D. van der Spoel, E. Lindahl, B. Hess, G. Groenhof, A. E. Mark and H. J. C. +Berendsen +GROMACS: Fast, Flexible and Free +J. Comp. Chem. 26 (2005) pp. 1701-1719 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +E. Lindahl and B. Hess and D. van der Spoel +GROMACS 3.0: A package for molecular simulation and trajectory analysis +J. Mol. Mod. 7 (2001) pp. 306-317 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +H. J. C. Berendsen, D. van der Spoel and R. van Drunen +GROMACS: A message-passing parallel molecular dynamics implementation +Comp. Phys. Comm. 91 (1995) pp. 43-56 +-------- -------- --- Thank You --- -------- -------- + +Input Parameters: + integrator = md + tinit = 0 + dt = 0.002 + nsteps = 250000 + init-step = 0 + simulation-part = 1 + mts = false + comm-mode = Linear + nstcomm = 100 + bd-fric = 0 + ld-seed = -370280627 + emtol = 10 + emstep = 0.01 + niter = 20 + fcstep = 0 + nstcgsteep = 1000 + nbfgscorr = 10 + rtpi = 0.05 + nstxout = 5000 + nstvout = 5000 + nstfout = 0 + nstlog = 5000 + nstcalcenergy = 100 + nstenergy = 5000 + nstxout-compressed = 1000 + compressed-x-precision = 1000 + cutoff-scheme = Verlet + nstlist = 10 + pbc = xyz + periodic-molecules = false + verlet-buffer-tolerance = 0.005 + rlist = 1 + coulombtype = PME + coulomb-modifier = Potential-shift + rcoulomb-switch = 0 + rcoulomb = 1 + epsilon-r = 1 + epsilon-rf = inf + vdw-type = Cut-off + vdw-modifier = Potential-shift + rvdw-switch = 0 + rvdw = 1 + DispCorr = EnerPres + table-extension = 1 + fourierspacing = 0.12 + fourier-nx = 56 + fourier-ny = 56 + fourier-nz = 56 + pme-order = 4 + ewald-rtol = 1e-05 + ewald-rtol-lj = 0.001 + lj-pme-comb-rule = Geometric + ewald-geometry = 3d + epsilon-surface = 0 + tcoupl = V-rescale + nsttcouple = 10 + nh-chain-length = 0 + print-nose-hoover-chain-variables = false + pcoupl = Parrinello-Rahman + pcoupltype = Isotropic + nstpcouple = 10 + tau-p = 1 + compressibility (3x3): + compressibility[ 0]={ 4.50000e-05, 0.00000e+00, 0.00000e+00} + compressibility[ 1]={ 0.00000e+00, 4.50000e-05, 0.00000e+00} + compressibility[ 2]={ 0.00000e+00, 0.00000e+00, 4.50000e-05} + ref-p (3x3): + ref-p[ 0]={ 1.00000e+00, 0.00000e+00, 0.00000e+00} + ref-p[ 1]={ 0.00000e+00, 1.00000e+00, 0.00000e+00} + ref-p[ 2]={ 0.00000e+00, 0.00000e+00, 1.00000e+00} + refcoord-scaling = COM + posres-com (3): + posres-com[0]= 0.00000e+00 + posres-com[1]= 0.00000e+00 + posres-com[2]= 0.00000e+00 + posres-comB (3): + posres-comB[0]= 0.00000e+00 + posres-comB[1]= 0.00000e+00 + posres-comB[2]= 0.00000e+00 + QMMM = false +qm-opts: + ngQM = 0 + constraint-algorithm = Lincs + continuation = true + Shake-SOR = false + shake-tol = 0.0001 + lincs-order = 4 + lincs-iter = 1 + lincs-warnangle = 30 + nwall = 0 + wall-type = 9-3 + wall-r-linpot = -1 + wall-atomtype[0] = -1 + wall-atomtype[1] = -1 + wall-density[0] = 0 + wall-density[1] = 0 + wall-ewald-zfac = 3 + pull = false + awh = false + rotation = false + interactiveMD = false + disre = No + disre-weighting = Conservative + disre-mixed = false + dr-fc = 1000 + dr-tau = 0 + nstdisreout = 100 + orire-fc = 0 + orire-tau = 0 + nstorireout = 100 + free-energy = no + cos-acceleration = 0 + deform (3x3): + deform[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} + deform[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} + deform[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} + simulated-tempering = false + swapcoords = no + userint1 = 0 + userint2 = 0 + userint3 = 0 + userint4 = 0 + userreal1 = 0 + userreal2 = 0 + userreal3 = 0 + userreal4 = 0 + applied-forces: + electric-field: + x: + E0 = 0 + omega = 0 + t0 = 0 + sigma = 0 + y: + E0 = 0 + omega = 0 + t0 = 0 + sigma = 0 + z: + E0 = 0 + omega = 0 + t0 = 0 + sigma = 0 + density-guided-simulation: + active = false + group = protein + similarity-measure = inner-product + atom-spreading-weight = unity + force-constant = 1e+09 + gaussian-transform-spreading-width = 0.2 + gaussian-transform-spreading-range-in-multiples-of-width = 4 + reference-density-filename = reference.mrc + nst = 1 + normalize-densities = true + adaptive-force-scaling = false + adaptive-force-scaling-time-constant = 4 + shift-vector = + transformation-matrix = + qmmm-cp2k: + active = false + qmgroup = System + qmmethod = PBE + qmfilenames = + qmcharge = 0 + qmmultiplicity = 1 +grpopts: + nrdf: 4920.67 39561.3 + ref-t: 300 300 + tau-t: 0.1 0.1 +annealing: No No +annealing-npoints: 0 0 + acc: 0 0 0 + nfreeze: N N N + energygrp-flags[ 0]: 0 + +Changing nstlist from 10 to 50, rlist from 1 to 1.105 + + +Initializing Domain Decomposition on 1 ranks +Dynamic load balancing: auto +Using update groups, nr 7606, average size 2.9 atoms, max. radius 0.104 nm +Minimum cell size due to atom displacement: 0.398 nm +Initial maximum distances in bonded interactions: + two-body bonded interactions: 0.441 nm, LJ-14, atoms 1156 1405 + multi-body bonded interactions: 0.441 nm, Proper Dih., atoms 1156 1405 +Minimum cell size due to bonded interactions: 0.485 nm +Using 0 separate PME ranks because: there are too few total ranks for efficient splitting +Optimizing the DD grid for 1 cells with a minimum initial size of 0.485 nm +The maximum allowed number of cells is: X 11 Y 11 Z 11 +Domain decomposition grid 1 x 1 x 1, separate PME ranks 0 +PME domain decomposition: 1 x 1 x 1 + +The initial number of communication pulses is: +The initial domain decomposition cell size is: + +The maximum allowed distance for atom groups involved in interactions is: + non-bonded interactions 1.313 nm +(the following are initial values, they could change due to box deformation) + two-body bonded interactions (-rdd) 1.313 nm + multi-body bonded interactions (-rdd) 1.313 nm + +When dynamic load balancing gets turned on, these settings will change to: +The maximum number of communication pulses is: +The minimum size for domain decomposition cells is 1.313 nm +The requested allowed shrink of DD cells (option -dds) is: 0.80 +The allowed shrink of domain decomposition cells is: +The maximum allowed distance for atom groups involved in interactions is: + non-bonded interactions 1.313 nm + two-body bonded interactions (-rdd) 1.313 nm + multi-body bonded interactions (-rdd) 1.313 nm + +Using 1 MPI thread +Using 4 OpenMP threads + +Pinning threads with an auto-selected logical cpu stride of 1 +System total charge: 0.000 +Will do PME sum in reciprocal space for electrostatic interactions. + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +U. Essmann, L. Perera, M. L. Berkowitz, T. Darden, H. Lee and L. G. Pedersen +A smooth particle mesh Ewald method +J. Chem. Phys. 103 (1995) pp. 8577-8592 +-------- -------- --- Thank You --- -------- -------- + +Using a Gaussian width (1/beta) of 0.320163 nm for Ewald +Potential shift: LJ r^-12: -1.000e+00 r^-6: -1.000e+00, Ewald -1.000e-05 +Initialized non-bonded Coulomb Ewald tables, spacing: 9.33e-04 size: 1073 + +Generated table with 1052 data points for 1-4 COUL. +Tabscale = 500 points/nm +Generated table with 1052 data points for 1-4 LJ6. +Tabscale = 500 points/nm +Generated table with 1052 data points for 1-4 LJ12. +Tabscale = 500 points/nm +Long Range LJ corr.: 3.2110e-04 + + +Using SIMD 4x8 nonbonded short-range kernels + +Using a dual 4x8 pair-list setup updated with dynamic pruning: + outer list: updated every 50 steps, buffer 0.105 nm, rlist 1.105 nm + inner list: updated every 12 steps, buffer 0.001 nm, rlist 1.001 nm +At tolerance 0.005 kJ/mol/ps per atom, equivalent classical 1x1 list would be: + outer list: updated every 50 steps, buffer 0.232 nm, rlist 1.232 nm + inner list: updated every 12 steps, buffer 0.046 nm, rlist 1.046 nm + +Using Lorentz-Berthelot Lennard-Jones combination rule + +Linking all bonded interactions to atoms + + +Initializing LINear Constraint Solver + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +B. Hess and H. Bekker and H. J. C. Berendsen and J. G. E. M. Fraaije +LINCS: A Linear Constraint Solver for molecular simulations +J. Comp. Chem. 18 (1997) pp. 1463-1472 +-------- -------- --- Thank You --- -------- -------- + +The number of constraints is 959 + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +S. Miyamoto and P. A. Kollman +SETTLE: An Analytical Version of the SHAKE and RATTLE Algorithms for Rigid +Water Models +J. Comp. Chem. 13 (1992) pp. 952-962 +-------- -------- --- Thank You --- -------- -------- + + +++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ +G. Bussi, D. Donadio and M. Parrinello +Canonical sampling through velocity rescaling +J. Chem. Phys. 126 (2007) pp. 014101 +-------- -------- --- Thank You --- -------- -------- + +There are: 21731 Atoms + +Atom distribution over 1 domains: av 21731 stddev 0 min 21731 max 21731 +Center of mass motion removal mode is Linear +We have the following groups for center of mass motion removal: + 0: rest + +Started mdrun on rank 0 Tue Jan 14 16:24:11 2025 + + Step Time + 0 0.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.58540e+03 3.74243e+03 5.41126e+03 2.50292e+02 1.88823e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62078e+04 3.74948e+04 -2.92286e+03 -3.57974e+05 2.10619e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.92210e+05 5.63653e+04 -2.35845e+05 -2.35832e+05 3.04806e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.23876e+02 1.26201e+02 2.80262e-06 + + Step Time + 5000 10.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.62103e+03 3.97555e+03 5.44136e+03 2.89575e+02 1.82368e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.58703e+04 3.80998e+04 -2.94044e+03 -3.57730e+05 2.09796e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91451e+05 5.61051e+04 -2.35346e+05 -2.35746e+05 3.03399e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.26575e+02 3.11245e+02 2.84600e-06 + + Step Time + 10000 20.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.56313e+03 3.95700e+03 5.35410e+03 2.48312e+02 1.84180e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61451e+04 3.78824e+04 -2.91481e+03 -3.57205e+05 2.10170e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91026e+05 5.52753e+04 -2.35750e+05 -2.35679e+05 2.98911e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.22647e+02 -7.21090e+01 2.52900e-06 + + Step Time + 15000 30.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.50632e+03 3.73964e+03 5.31118e+03 2.48143e+02 1.86743e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61500e+04 3.80655e+04 -2.91848e+03 -3.58072e+05 2.08962e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.92012e+05 5.56767e+04 -2.36336e+05 -2.35636e+05 3.01082e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.23207e+02 2.25202e+01 2.80979e-06 + + Step Time + 20000 40.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.63440e+03 4.08820e+03 5.43041e+03 2.95315e+02 1.88466e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62836e+04 3.76227e+04 -2.88819e+03 -3.57081e+05 2.13508e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.90595e+05 5.57442e+04 -2.34851e+05 -2.35558e+05 3.01447e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.18603e+02 -1.06740e+02 2.88960e-06 + + Step Time + 25000 50.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.63862e+03 4.00936e+03 5.34660e+03 2.57876e+02 1.87659e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61630e+04 3.80441e+04 -2.91769e+03 -3.58140e+05 2.14816e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91573e+05 5.61641e+04 -2.35409e+05 -2.35491e+05 3.03718e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.23087e+02 3.89127e+01 2.85093e-06 + + Step Time + 30000 60.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.63520e+03 3.89722e+03 5.42172e+03 3.01081e+02 1.86853e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62116e+04 3.67706e+04 -2.91399e+03 -3.55843e+05 2.21721e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.90434e+05 5.50331e+04 -2.35400e+05 -2.35441e+05 2.97602e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.22522e+02 -1.55233e+02 3.03013e-06 + + Step Time + 35000 70.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.63711e+03 3.71455e+03 5.48466e+03 2.63669e+02 1.90954e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62956e+04 3.85962e+04 -2.92810e+03 -3.58185e+05 2.03983e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91172e+05 5.58276e+04 -2.35344e+05 -2.35353e+05 3.01898e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.24678e+02 3.79379e+02 3.16957e-06 + + Step Time + 40000 80.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.54674e+03 3.84021e+03 5.34638e+03 2.83042e+02 1.89928e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.63007e+04 3.82335e+04 -2.94007e+03 -3.58135e+05 2.13216e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91493e+05 5.52335e+04 -2.36259e+05 -2.35272e+05 2.98685e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.26517e+02 4.58377e+02 2.73418e-06 + + Step Time + 45000 90.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.54118e+03 3.80133e+03 5.37468e+03 2.74001e+02 1.87143e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62904e+04 3.72628e+04 -2.92224e+03 -3.57243e+05 2.04885e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91701e+05 5.50357e+04 -2.36665e+05 -2.35235e+05 2.97616e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.23782e+02 -8.51071e+01 3.09920e-06 + + Step Time + 50000 100.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.49627e+03 3.83722e+03 5.43445e+03 2.57533e+02 1.87842e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61627e+04 3.82898e+04 -2.93023e+03 -3.58908e+05 2.15726e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.92325e+05 5.54374e+04 -2.36888e+05 -2.35174e+05 2.99788e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.25005e+02 1.74142e+02 2.70804e-06 + + Step Time + 55000 110.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.42625e+03 3.91698e+03 5.45088e+03 2.75073e+02 1.93845e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61463e+04 3.61798e+04 -2.90830e+03 -3.55686e+05 2.17844e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91083e+05 5.46956e+04 -2.36387e+05 -2.35097e+05 2.95777e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.21654e+02 -2.94454e+02 2.67014e-06 + + Step Time + 60000 120.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.59120e+03 4.02542e+03 5.34013e+03 2.47629e+02 1.89613e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62737e+04 3.80556e+04 -2.92134e+03 -3.58147e+05 2.02541e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91613e+05 5.57140e+04 -2.35899e+05 -2.35008e+05 3.01284e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.23645e+02 1.03827e+02 2.66660e-06 + + Step Time + 65000 130.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.71471e+03 3.67725e+03 5.41804e+03 2.78825e+02 1.87984e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.64316e+04 3.83033e+04 -2.94298e+03 -3.58203e+05 2.04881e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91393e+05 5.57612e+04 -2.35632e+05 -2.34909e+05 3.01539e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.26965e+02 2.01743e+02 3.20252e-06 + + Step Time + 70000 140.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.56121e+03 3.87827e+03 5.49217e+03 2.38105e+02 1.96842e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.65242e+04 3.72712e+04 -2.91277e+03 -3.57420e+05 2.07882e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91320e+05 5.57765e+04 -2.35543e+05 -2.34864e+05 3.01622e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.22335e+02 6.46496e+01 2.92515e-06 + + Step Time + 75000 150.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.49561e+03 3.92792e+03 5.40209e+03 3.21171e+02 1.84567e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62786e+04 3.75475e+04 -2.91977e+03 -3.57271e+05 2.11449e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91257e+05 5.54064e+04 -2.35851e+05 -2.34808e+05 2.99620e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.23403e+02 -1.25580e+02 2.85880e-06 + + Step Time + 80000 160.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.62467e+03 3.57368e+03 5.43300e+03 2.67230e+02 1.87654e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.63787e+04 3.79202e+04 -2.92560e+03 -3.58110e+05 2.00416e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91957e+05 5.57385e+04 -2.36219e+05 -2.34809e+05 3.01416e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.24297e+02 1.07686e+02 3.24007e-06 + + Step Time + 85000 170.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.63390e+03 3.79693e+03 5.38458e+03 2.71428e+02 1.85554e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62832e+04 3.73112e+04 -2.91455e+03 -3.57112e+05 2.09260e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91397e+05 5.59136e+04 -2.35483e+05 -2.34764e+05 3.02363e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.22608e+02 -1.00800e+02 2.80767e-06 + + Step Time + 90000 180.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.59724e+03 4.02470e+03 5.36550e+03 2.59665e+02 1.87829e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61004e+04 3.73243e+04 -2.91736e+03 -3.57330e+05 2.23809e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91459e+05 5.58218e+04 -2.35637e+05 -2.34706e+05 3.01867e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.23036e+02 -1.21873e+02 2.73644e-06 + + Step Time + 95000 190.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.69884e+03 3.92245e+03 5.34987e+03 3.01208e+02 1.88298e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60958e+04 3.74437e+04 -2.92033e+03 -3.56711e+05 2.12919e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.90807e+05 5.57692e+04 -2.35038e+05 -2.34651e+05 3.01582e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.23489e+02 1.26710e+02 2.39525e-06 + + Step Time + 100000 200.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.55526e+03 3.78477e+03 5.46455e+03 2.45602e+02 1.86373e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.64175e+04 3.75236e+04 -2.90764e+03 -3.57906e+05 2.12792e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91831e+05 5.55593e+04 -2.36271e+05 -2.34607e+05 3.00448e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.21554e+02 -7.58473e+01 2.80315e-06 + + Step Time + 105000 210.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.71900e+03 3.84009e+03 5.46316e+03 2.27066e+02 1.84878e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62068e+04 3.64910e+04 -2.91117e+03 -3.56650e+05 2.09378e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91671e+05 5.55153e+04 -2.36156e+05 -2.34553e+05 3.00209e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.22092e+02 -4.44147e+02 2.71119e-06 + + Step Time + 110000 220.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.70606e+03 4.00332e+03 5.33926e+03 2.72533e+02 1.89323e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62183e+04 3.80266e+04 -2.91143e+03 -3.56096e+05 2.11284e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.89436e+05 5.57371e+04 -2.33698e+05 -2.34491e+05 3.01409e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.22132e+02 7.23135e+01 2.58724e-06 + + Step Time + 115000 230.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.63783e+03 4.03283e+03 5.39087e+03 2.40216e+02 1.87164e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60881e+04 3.77795e+04 -2.92242e+03 -3.57431e+05 2.14343e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91169e+05 5.56088e+04 -2.35560e+05 -2.34450e+05 3.00715e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.23809e+02 -1.10111e+02 2.68662e-06 + + Step Time + 120000 240.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.51016e+03 3.93568e+03 5.34482e+03 2.70996e+02 1.85716e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61746e+04 3.76168e+04 -2.91513e+03 -3.56765e+05 2.05522e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.90914e+05 5.59453e+04 -2.34969e+05 -2.34420e+05 3.02535e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.22696e+02 -2.00455e+01 2.80791e-06 + + Step Time + 125000 250.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.55275e+03 3.76985e+03 5.43806e+03 2.50565e+02 1.86614e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.63468e+04 3.68089e+04 -2.90385e+03 -3.56944e+05 2.15754e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91657e+05 5.50043e+04 -2.36653e+05 -2.34381e+05 2.97446e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.20978e+02 -1.85612e+02 2.67366e-06 + + Step Time + 130000 260.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.67698e+03 3.85897e+03 5.50863e+03 2.89352e+02 1.95446e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.63670e+04 3.74003e+04 -2.91321e+03 -3.57775e+05 2.11816e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91514e+05 5.57357e+04 -2.35778e+05 -2.34309e+05 3.01401e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.22402e+02 3.25585e+01 2.81821e-06 + + Step Time + 135000 270.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.58352e+03 3.93586e+03 5.44868e+03 2.69104e+02 1.86424e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62623e+04 3.84738e+04 -2.93199e+03 -3.58841e+05 2.15870e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91777e+05 5.63168e+04 -2.35460e+05 -2.34245e+05 3.04544e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.25276e+02 3.47937e+02 2.76612e-06 + + Step Time + 140000 280.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.59011e+03 3.93710e+03 5.38753e+03 2.93914e+02 1.80225e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62095e+04 3.86475e+04 -2.91564e+03 -3.58253e+05 2.06330e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91237e+05 5.61590e+04 -2.35078e+05 -2.34171e+05 3.03690e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.22773e+02 1.31045e+02 2.88434e-06 + + Step Time + 145000 290.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.62674e+03 4.03072e+03 5.42432e+03 3.36220e+02 1.84093e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60058e+04 3.83072e+04 -2.91815e+03 -3.57547e+05 2.19276e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.90700e+05 5.56978e+04 -2.35003e+05 -2.34120e+05 3.01196e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.23156e+02 1.96768e+02 2.98584e-06 + + Step Time + 150000 300.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.58484e+03 3.86437e+03 5.35198e+03 2.50124e+02 1.89773e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61658e+04 3.84274e+04 -2.92452e+03 -3.58465e+05 2.14340e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91704e+05 5.59377e+04 -2.35766e+05 -2.34046e+05 3.02494e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.24130e+02 4.07394e+02 3.30599e-06 + + Step Time + 155000 310.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.65752e+03 3.98538e+03 5.36175e+03 2.67318e+02 1.84008e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61683e+04 3.83566e+04 -2.90106e+03 -3.56986e+05 2.06426e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.90186e+05 5.58231e+04 -2.34363e+05 -2.34010e+05 3.01874e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.20553e+02 7.45741e+01 3.06835e-06 + + Step Time + 160000 320.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.74152e+03 3.93414e+03 5.36954e+03 2.90629e+02 1.91789e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.58912e+04 3.84339e+04 -2.90501e+03 -3.58051e+05 2.12727e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91250e+05 5.55745e+04 -2.35675e+05 -2.33910e+05 3.00530e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.21154e+02 1.94224e+02 2.94244e-06 + + Step Time + 165000 330.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.49370e+03 3.96267e+03 5.40538e+03 2.45470e+02 1.94163e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61816e+04 3.71810e+04 -2.92425e+03 -3.57132e+05 2.03447e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91610e+05 5.49760e+04 -2.36634e+05 -2.33880e+05 2.97293e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.24089e+02 -4.79980e+00 2.52296e-06 + + Step Time + 170000 340.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.62829e+03 3.94599e+03 5.44987e+03 2.56596e+02 1.89101e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62756e+04 3.75328e+04 -2.91462e+03 -3.56452e+05 2.01253e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.90374e+05 5.62541e+04 -2.34120e+05 -2.33835e+05 3.04205e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.22617e+02 1.61155e+02 3.02217e-06 + + Step Time + 175000 350.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.54545e+03 4.00799e+03 5.43138e+03 2.79121e+02 1.84954e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.60675e+04 3.67337e+04 -2.90133e+03 -3.56010e+05 2.08093e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.90916e+05 5.49621e+04 -2.35953e+05 -2.33772e+05 2.97218e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.20594e+02 -2.10212e+02 2.69380e-06 + + Step Time + 180000 360.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.56688e+03 3.84095e+03 5.39206e+03 2.49017e+02 1.88378e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.65383e+04 3.72250e+04 -2.91696e+03 -3.57154e+05 2.10239e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91272e+05 5.53044e+04 -2.35968e+05 -2.33693e+05 2.99069e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.22974e+02 -8.23694e+01 2.96830e-06 + + Step Time + 185000 370.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.55316e+03 3.79734e+03 5.32495e+03 2.69851e+02 1.88387e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.63094e+04 3.75308e+04 -2.91181e+03 -3.56351e+05 2.19833e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.90395e+05 5.59065e+04 -2.34488e+05 -2.33635e+05 3.02325e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.22190e+02 1.30644e+02 2.93056e-06 + +Writing checkpoint, step 185750 at Tue Jan 14 16:39:11 2025 + + + Step Time + 190000 380.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.62468e+03 3.95130e+03 5.36787e+03 2.37989e+02 1.89491e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61415e+04 3.78846e+04 -2.92422e+03 -3.57690e+05 2.21941e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91292e+05 5.60469e+04 -2.35245e+05 -2.33567e+05 3.03084e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.24085e+02 1.66828e+02 2.52839e-06 + + Step Time + 195000 390.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.58097e+03 3.91021e+03 5.39012e+03 2.74750e+02 1.87742e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.63602e+04 3.76139e+04 -2.90803e+03 -3.56684e+05 2.06161e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.90523e+05 5.60443e+04 -2.34479e+05 -2.33509e+05 3.03070e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.21613e+02 6.01109e+01 2.90126e-06 + + Step Time + 200000 400.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.62702e+03 3.75870e+03 5.34939e+03 2.67214e+02 1.86947e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62022e+04 3.80126e+04 -2.92002e+03 -3.58092e+05 2.16017e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91766e+05 5.49069e+04 -2.36859e+05 -2.33414e+05 2.96919e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.23443e+02 1.43783e+02 2.75551e-06 + + Step Time + 205000 410.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.69249e+03 4.12124e+03 5.33094e+03 2.75798e+02 1.93609e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61166e+04 3.68975e+04 -2.91730e+03 -3.55099e+05 2.10145e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.89544e+05 5.58673e+04 -2.33677e+05 -2.33355e+05 3.02113e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.23027e+02 8.55319e+01 2.70230e-06 + + Step Time + 210000 420.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.48280e+03 3.81920e+03 5.46560e+03 2.22048e+02 1.88820e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.64535e+04 3.82448e+04 -2.90833e+03 -3.58294e+05 2.07096e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91555e+05 5.61714e+04 -2.35383e+05 -2.33355e+05 3.03758e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.21659e+02 1.95316e+02 2.77813e-06 + + Step Time + 215000 430.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.63760e+03 3.93018e+03 5.38417e+03 2.57119e+02 1.86954e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62976e+04 3.78842e+04 -2.92593e+03 -3.57751e+05 2.14300e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91274e+05 5.55031e+04 -2.35771e+05 -2.33257e+05 3.00144e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.24346e+02 1.04541e+02 2.67782e-06 + + Step Time + 220000 440.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.53965e+03 3.78696e+03 5.33451e+03 2.48805e+02 1.93962e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.64094e+04 3.72723e+04 -2.93167e+03 -3.57780e+05 2.10846e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.92072e+05 5.53562e+04 -2.36716e+05 -2.33217e+05 2.99349e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.25227e+02 1.52398e+02 2.79930e-06 + + Step Time + 225000 450.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.48234e+03 3.82775e+03 5.39811e+03 2.75333e+02 1.93402e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.63622e+04 3.69379e+04 -2.90858e+03 -3.56637e+05 2.09971e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91229e+05 5.57006e+04 -2.35528e+05 -2.33173e+05 3.01211e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.21697e+02 3.34925e+01 2.74184e-06 + + Step Time + 230000 460.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.61021e+03 3.96600e+03 5.37676e+03 2.78079e+02 1.85142e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62239e+04 3.74886e+04 -2.93834e+03 -3.58258e+05 2.10415e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.92297e+05 5.50323e+04 -2.37265e+05 -2.33101e+05 2.97597e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.26251e+02 -9.73752e+00 2.57035e-06 + + Step Time + 235000 470.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.49672e+03 4.01466e+03 5.34835e+03 2.47379e+02 1.87683e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.63174e+04 3.71794e+04 -2.89174e+03 -3.57231e+05 2.14257e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91500e+05 5.55647e+04 -2.35935e+05 -2.33079e+05 3.00477e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.19140e+02 -1.77877e+02 2.60691e-06 + + Step Time + 240000 480.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.59416e+03 3.99817e+03 5.37110e+03 2.74001e+02 1.84384e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62531e+04 3.77325e+04 -2.91870e+03 -3.57717e+05 2.12102e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91448e+05 5.53604e+04 -2.36088e+05 -2.32976e+05 2.99371e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.23240e+02 -1.62848e+02 2.56507e-06 + + Step Time + 245000 490.00000 + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.59181e+03 4.08318e+03 5.35995e+03 2.49030e+02 1.85338e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62398e+04 3.74339e+04 -2.91345e+03 -3.57917e+05 2.19376e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91826e+05 5.56275e+04 -2.36198e+05 -2.32951e+05 3.00816e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.22439e+02 -1.35835e+02 2.67273e-06 + + Step Time + 250000 500.00000 + +Writing checkpoint, step 250000 at Tue Jan 14 16:44:24 2025 + + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.73762e+03 3.94705e+03 5.42102e+03 2.61729e+02 1.83107e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.61500e+04 3.75905e+04 -2.91585e+03 -3.57061e+05 2.26089e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.90777e+05 5.55298e+04 -2.35247e+05 -2.32872e+05 3.00287e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.22805e+02 7.21937e+01 2.71780e-06 + + +Energy conservation over simulation part #1 of length 500 ps, time 0 to 500 ps + Conserved energy drift: 2.72e-04 kJ/mol/ps per atom + + + <====== ############### ==> + <==== A V E R A G E S ====> + <== ############### ======> + + Statistics over 250001 steps using 2501 frames + + Energies (kJ/mol) + Bond Angle Proper Dih.Periodic Improper Dih. LJ-14 + 1.58432e+03 3.88292e+03 5.39737e+03 2.67503e+02 1.87881e+03 + Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. + 1.62535e+04 3.75436e+04 -2.91756e+03 -3.57434e+05 2.11613e+03 + Potential Kinetic En. Total Energy Conserved En. Temperature + -2.91428e+05 5.54785e+04 -2.35949e+05 -2.34323e+05 3.00010e+02 + Pres. DC (bar) Pressure (bar) Constr. rmsd + -2.23069e+02 1.33695e+00 0.00000e+00 + + Box-X Box-Y Box-Z + 6.56125e+00 6.18606e+00 5.35745e+00 + + Total Virial (kJ/mol) + 1.85031e+04 -2.28116e+01 5.08086e+00 + -2.26834e+01 1.84887e+04 -8.89281e+00 + 5.17935e+00 -8.83108e+00 1.84660e+04 + + Pressure (bar) + 2.19856e+00 2.78892e+00 -2.44891e-01 + 2.76934e+00 1.08289e+00 -4.64196e-01 + -2.59930e-01 -4.73620e-01 7.29401e-01 + + T-ProteinT-Water_and_ions + 2.99943e+02 3.00019e+02 + + + M E G A - F L O P S A C C O U N T I N G + + NB=Group-cutoff nonbonded kernels NxN=N-by-N cluster Verlet kernels + RF=Reaction-Field VdW=Van der Waals QSTab=quadratic-spline table + W3=SPC/TIP3p W4=TIP4p (single or pairs) + V&F=Potential and force V=Potential only F=Force only + + Computing: M-Number M-Flops % Flops +----------------------------------------------------------------------------- + Pair Search distance check 45485.536918 409369.832 0.2 + NxN Ewald Elec. + LJ [F] 1699318.435632 112155016.752 51.7 + NxN Ewald Elec. + LJ [V&F] 17172.196480 1837425.023 0.8 + NxN Ewald Elec. [F] 1381165.162704 84251074.925 38.9 + NxN Ewald Elec. [V&F] 13956.736480 1172365.864 0.5 + 1,4 nonbonded interactions 1276.505106 114885.460 0.1 + Calc Weights 16298.315193 586739.347 0.3 + Spread Q Bspline 347697.390784 695394.782 0.3 + Gather F Bspline 347697.390784 2086184.345 1.0 + 3D-FFT 1529802.619186 12238420.953 5.6 + Solve PME 784.003136 50176.201 0.0 + Reset In Box 108.655000 325.965 0.0 + CG-CoM 108.676731 326.030 0.0 + Bonds 256.251025 15118.810 0.0 + Angles 886.753547 148974.596 0.1 + Propers 1340.755363 307032.978 0.1 + Impropers 106.500426 22152.089 0.0 + Virial 544.421776 9799.592 0.0 + Stop-CM 54.349231 543.492 0.0 + Calc-Ekin 1086.593462 29338.023 0.0 + Lincs 239.750959 14385.058 0.0 + Lincs-Mat 1194.004776 4776.019 0.0 + Constraint-V 5416.771667 48750.945 0.0 + Constraint-Vir 517.720708 12425.297 0.0 + Settle 1645.756583 608929.936 0.3 +----------------------------------------------------------------------------- + Total 216819932.314 100.0 +----------------------------------------------------------------------------- + + + D O M A I N D E C O M P O S I T I O N S T A T I S T I C S + + av. #atoms communicated per step for force: 2 x 0.0 + + + R E A L C Y C L E A N D T I M E A C C O U N T I N G + +On 1 MPI rank, each using 4 OpenMP threads + + Computing: Num Num Call Wall time Giga-Cycles + Ranks Threads Count (s) total sum % +----------------------------------------------------------------------------- + Domain decomp. 1 4 5000 9.561 126.665 0.8 + Neighbor search 1 4 5001 36.671 485.806 3.0 + Force 1 4 250001 824.590 10923.930 68.0 + PME mesh 1 4 250001 296.374 3926.277 24.4 + NB X/F buffer ops. 1 4 495001 12.171 161.238 1.0 + Write traj. 1 4 252 0.538 7.124 0.0 + Update 1 4 250001 14.154 187.504 1.2 + Constraints 1 4 250001 13.799 182.807 1.1 + Rest 5.127 67.919 0.4 +----------------------------------------------------------------------------- + Total 1212.985 16069.270 100.0 +----------------------------------------------------------------------------- + Breakdown of PME mesh computation +----------------------------------------------------------------------------- + PME spread 1 4 250001 99.696 1320.738 8.2 + PME gather 1 4 250001 66.305 878.390 5.5 + PME 3D-FFT 1 4 500002 115.539 1530.623 9.5 + PME solve Elec 1 4 250001 14.117 187.021 1.2 +----------------------------------------------------------------------------- + + Core t (s) Wall t (s) (%) + Time: 4851.940 1212.985 400.0 + (ns/day) (hour/ns) +Performance: 35.615 0.674 +Finished mdrun on rank 0 Tue Jan 14 16:44:24 2025 + diff --git a/biobb_wf_md_setup/tests/python/reference/step16_mdrun_md/md.trr b/biobb_wf_md_setup/tests/python/reference/step16_mdrun_md/md.trr new file mode 100644 index 0000000..31b897d Binary files /dev/null and b/biobb_wf_md_setup/tests/python/reference/step16_mdrun_md/md.trr differ diff --git a/biobb_wf_md_setup/tests/python/reference/step17_gmx_image1/md.imaged.trr b/biobb_wf_md_setup/tests/python/reference/step17_gmx_image1/md.imaged.trr new file mode 100644 index 0000000..0264941 Binary files /dev/null and b/biobb_wf_md_setup/tests/python/reference/step17_gmx_image1/md.imaged.trr differ diff --git a/biobb_wf_md_setup/tests/python/reference/step18_gmx_image2/md.imaged.rot.xtc b/biobb_wf_md_setup/tests/python/reference/step18_gmx_image2/md.imaged.rot.xtc new file mode 100644 index 0000000..e8d87af Binary files /dev/null and b/biobb_wf_md_setup/tests/python/reference/step18_gmx_image2/md.imaged.rot.xtc differ diff --git a/biobb_wf_md_setup/tests/python/reference/step19_gmx_trjconv_str/setup.top.pdb b/biobb_wf_md_setup/tests/python/reference/step19_gmx_trjconv_str/setup.top.pdb new file mode 100644 index 0000000..04322b0 --- /dev/null +++ b/biobb_wf_md_setup/tests/python/reference/step19_gmx_trjconv_str/setup.top.pdb @@ -0,0 +1,21738 @@ +REMARK GENERATED BY TRJCONV +TITLE Protein in water +REMARK THIS IS A SIMULATION BOX +CRYST1 65.625 65.625 65.625 70.53 109.47 70.53 P 1 1 +MODEL 1 +ATOM 1 N LYS 1 36.090 44.640 13.250 1.00 0.00 N +ATOM 2 H1 LYS 1 36.730 45.200 12.700 1.00 0.00 H +ATOM 3 H2 LYS 1 35.520 44.130 12.590 1.00 0.00 H +ATOM 4 H3 LYS 1 35.650 45.340 13.830 1.00 0.00 H +ATOM 5 CA LYS 1 36.900 43.680 14.050 1.00 0.00 C +ATOM 6 HA LYS 1 37.470 43.040 13.380 1.00 0.00 H +ATOM 7 CB LYS 1 37.960 44.430 14.890 1.00 0.00 C +ATOM 8 HB1 LYS 1 37.560 45.320 15.390 1.00 0.00 H +ATOM 9 HB2 LYS 1 38.700 44.800 14.180 1.00 0.00 H +ATOM 10 CG LYS 1 38.810 43.660 15.910 1.00 0.00 C +ATOM 11 HG1 LYS 1 39.240 42.840 15.340 1.00 0.00 H +ATOM 12 HG2 LYS 1 38.230 43.220 16.730 1.00 0.00 H +ATOM 13 CD LYS 1 39.890 44.590 16.460 1.00 0.00 C +ATOM 14 HD1 LYS 1 39.440 45.370 17.080 1.00 0.00 H +ATOM 15 HD2 LYS 1 40.490 45.100 15.710 1.00 0.00 H +ATOM 16 CE LYS 1 40.810 43.770 17.360 1.00 0.00 C +ATOM 17 HE1 LYS 1 41.410 43.060 16.790 1.00 0.00 H +ATOM 18 HE2 LYS 1 40.300 43.110 18.060 1.00 0.00 H +ATOM 19 NZ LYS 1 41.990 44.500 17.910 1.00 0.00 N +ATOM 20 HZ1 LYS 1 42.410 43.900 18.600 1.00 0.00 H +ATOM 21 HZ2 LYS 1 42.630 44.720 17.160 1.00 0.00 H +ATOM 22 HZ3 LYS 1 41.690 45.330 18.400 1.00 0.00 H +ATOM 23 C LYS 1 35.990 42.710 14.830 1.00 0.00 C +ATOM 24 O LYS 1 35.000 43.130 15.380 1.00 0.00 O +ATOM 25 N VAL 2 36.420 41.450 14.950 1.00 0.00 N +ATOM 26 H VAL 2 37.110 41.090 14.310 1.00 0.00 H +ATOM 27 CA VAL 2 36.070 40.500 15.970 1.00 0.00 C +ATOM 28 HA VAL 2 35.280 40.990 16.540 1.00 0.00 H +ATOM 29 CB VAL 2 35.570 39.260 15.320 1.00 0.00 C +ATOM 30 HB VAL 2 36.250 39.000 14.510 1.00 0.00 H +ATOM 31 CG1 VAL 2 35.650 37.930 16.050 1.00 0.00 C +ATOM 32 HG11 VAL 2 36.700 37.860 16.330 1.00 0.00 H +ATOM 33 HG12 VAL 2 35.070 38.000 16.960 1.00 0.00 H +ATOM 34 HG13 VAL 2 35.290 37.160 15.370 1.00 0.00 H +ATOM 35 CG2 VAL 2 34.140 39.460 14.830 1.00 0.00 C +ATOM 36 HG21 VAL 2 34.000 38.700 14.060 1.00 0.00 H +ATOM 37 HG22 VAL 2 33.440 39.330 15.650 1.00 0.00 H +ATOM 38 HG23 VAL 2 34.060 40.430 14.340 1.00 0.00 H +ATOM 39 C VAL 2 37.320 40.190 16.870 1.00 0.00 C +ATOM 40 O VAL 2 38.450 40.300 16.430 1.00 0.00 O +ATOM 41 N PHE 3 37.050 39.920 18.100 1.00 0.00 N +ATOM 42 H PHE 3 36.080 39.840 18.370 1.00 0.00 H +ATOM 43 CA PHE 3 38.100 39.470 19.040 1.00 0.00 C +ATOM 44 HA PHE 3 39.080 39.540 18.570 1.00 0.00 H +ATOM 45 CB PHE 3 38.160 40.330 20.250 1.00 0.00 C +ATOM 46 HB1 PHE 3 38.830 39.810 20.940 1.00 0.00 H +ATOM 47 HB2 PHE 3 37.140 40.420 20.600 1.00 0.00 H +ATOM 48 CG PHE 3 38.800 41.730 20.020 1.00 0.00 C +ATOM 49 CD1 PHE 3 37.950 42.740 19.550 1.00 0.00 C +ATOM 50 HD1 PHE 3 36.930 42.570 19.220 1.00 0.00 H +ATOM 51 CE1 PHE 3 38.230 44.080 19.780 1.00 0.00 C +ATOM 52 HE1 PHE 3 37.610 44.910 19.460 1.00 0.00 H +ATOM 53 CZ PHE 3 39.430 44.380 20.410 1.00 0.00 C +ATOM 54 HZ PHE 3 39.630 45.400 20.690 1.00 0.00 H +ATOM 55 CE2 PHE 3 40.180 43.410 20.970 1.00 0.00 C +ATOM 56 HE2 PHE 3 41.070 43.690 21.520 1.00 0.00 H +ATOM 57 CD2 PHE 3 39.890 42.080 20.820 1.00 0.00 C +ATOM 58 HD2 PHE 3 40.470 41.360 21.370 1.00 0.00 H +ATOM 59 C PHE 3 37.990 38.030 19.490 1.00 0.00 C +ATOM 60 O PHE 3 36.910 37.360 19.510 1.00 0.00 O +ATOM 61 N GLY 4 39.120 37.410 19.940 1.00 0.00 N +ATOM 62 H GLY 4 39.940 37.990 19.840 1.00 0.00 H +ATOM 63 CA GLY 4 39.150 36.100 20.590 1.00 0.00 C +ATOM 64 HA1 GLY 4 40.150 35.670 20.550 1.00 0.00 H +ATOM 65 HA2 GLY 4 38.480 35.360 20.160 1.00 0.00 H +ATOM 66 C GLY 4 38.790 36.150 22.080 1.00 0.00 C +ATOM 67 O GLY 4 38.780 37.250 22.660 1.00 0.00 O +ATOM 68 N ARG 5 38.560 35.020 22.710 1.00 0.00 N +ATOM 69 H ARG 5 38.750 34.180 22.180 1.00 0.00 H +ATOM 70 CA ARG 5 37.910 34.850 24.060 1.00 0.00 C +ATOM 71 HA ARG 5 37.120 35.610 24.020 1.00 0.00 H +ATOM 72 CB ARG 5 37.410 33.350 24.240 1.00 0.00 C +ATOM 73 HB1 ARG 5 38.310 32.740 24.320 1.00 0.00 H +ATOM 74 HB2 ARG 5 36.910 32.990 23.340 1.00 0.00 H +ATOM 75 CG ARG 5 36.500 33.100 25.510 1.00 0.00 C +ATOM 76 HG1 ARG 5 35.580 33.700 25.500 1.00 0.00 H +ATOM 77 HG2 ARG 5 37.020 33.420 26.410 1.00 0.00 H +ATOM 78 CD ARG 5 36.180 31.610 25.620 1.00 0.00 C +ATOM 79 HD1 ARG 5 35.700 31.270 24.700 1.00 0.00 H +ATOM 80 HD2 ARG 5 35.470 31.490 26.430 1.00 0.00 H +ATOM 81 NE ARG 5 37.410 30.850 25.810 1.00 0.00 N +ATOM 82 HE ARG 5 37.950 30.620 24.990 1.00 0.00 H +ATOM 83 CZ ARG 5 37.910 30.590 26.970 1.00 0.00 C +ATOM 84 NH1 ARG 5 37.440 30.920 28.140 1.00 0.00 N +ATOM 85 HH11 ARG 5 36.630 31.520 28.250 1.00 0.00 H +ATOM 86 HH12 ARG 5 37.880 30.490 28.940 1.00 0.00 H +ATOM 87 NH2 ARG 5 38.920 29.800 26.980 1.00 0.00 N +ATOM 88 HH21 ARG 5 39.310 29.560 26.080 1.00 0.00 H +ATOM 89 HH22 ARG 5 39.360 29.480 27.830 1.00 0.00 H +ATOM 90 C ARG 5 38.860 35.240 25.210 1.00 0.00 C +ATOM 91 O ARG 5 38.430 35.940 26.120 1.00 0.00 O +ATOM 92 N CYS 6 40.120 34.820 25.130 1.00 0.00 N +ATOM 93 H CYS 6 40.340 34.160 24.400 1.00 0.00 H +ATOM 94 CA CYS 6 41.160 35.240 26.040 1.00 0.00 C +ATOM 95 HA CYS 6 40.720 35.400 27.030 1.00 0.00 H +ATOM 96 CB CYS 6 42.130 34.090 26.220 1.00 0.00 C +ATOM 97 HB1 CYS 6 42.880 34.410 26.950 1.00 0.00 H +ATOM 98 HB2 CYS 6 42.540 33.890 25.230 1.00 0.00 H +ATOM 99 SG CYS 6 41.380 32.530 26.710 1.00 0.00 S +ATOM 100 C CYS 6 41.900 36.500 25.610 1.00 0.00 C +ATOM 101 O CYS 6 42.460 37.280 26.380 1.00 0.00 O +ATOM 102 N GLU 7 41.870 36.840 24.340 1.00 0.00 N +ATOM 103 H GLU 7 41.460 36.230 23.650 1.00 0.00 H +ATOM 104 CA GLU 7 42.190 38.150 23.860 1.00 0.00 C +ATOM 105 HA GLU 7 43.190 38.380 24.230 1.00 0.00 H +ATOM 106 CB GLU 7 42.390 38.050 22.290 1.00 0.00 C +ATOM 107 HB1 GLU 7 41.430 37.690 21.920 1.00 0.00 H +ATOM 108 HB2 GLU 7 43.200 37.370 22.020 1.00 0.00 H +ATOM 109 CG GLU 7 42.690 39.340 21.590 1.00 0.00 C +ATOM 110 HG1 GLU 7 43.640 39.720 21.950 1.00 0.00 H +ATOM 111 HG2 GLU 7 41.960 40.090 21.890 1.00 0.00 H +ATOM 112 CD GLU 7 42.740 39.160 20.160 1.00 0.00 C +ATOM 113 OE1 GLU 7 41.700 39.030 19.490 1.00 0.00 O +ATOM 114 OE2 GLU 7 43.880 39.130 19.600 1.00 0.00 O +ATOM 115 C GLU 7 41.240 39.260 24.280 1.00 0.00 C +ATOM 116 O GLU 7 41.750 40.320 24.720 1.00 0.00 O +ATOM 117 N LEU 8 39.950 39.120 24.290 1.00 0.00 N +ATOM 118 H LEU 8 39.600 38.180 24.130 1.00 0.00 H +ATOM 119 CA LEU 8 39.090 40.150 24.930 1.00 0.00 C +ATOM 120 HA LEU 8 39.280 41.110 24.440 1.00 0.00 H +ATOM 121 CB LEU 8 37.610 39.810 24.600 1.00 0.00 C +ATOM 122 HB1 LEU 8 37.270 39.040 25.280 1.00 0.00 H +ATOM 123 HB2 LEU 8 37.460 39.510 23.560 1.00 0.00 H +ATOM 124 CG LEU 8 36.660 41.020 24.910 1.00 0.00 C +ATOM 125 HG LEU 8 36.620 41.210 25.980 1.00 0.00 H +ATOM 126 CD1 LEU 8 36.950 42.350 24.320 1.00 0.00 C +ATOM 127 HD11 LEU 8 36.080 43.000 24.210 1.00 0.00 H +ATOM 128 HD12 LEU 8 37.750 42.860 24.860 1.00 0.00 H +ATOM 129 HD13 LEU 8 37.320 42.210 23.310 1.00 0.00 H +ATOM 130 CD2 LEU 8 35.250 40.680 24.480 1.00 0.00 C +ATOM 131 HD21 LEU 8 34.660 40.060 25.160 1.00 0.00 H +ATOM 132 HD22 LEU 8 34.660 41.580 24.630 1.00 0.00 H +ATOM 133 HD23 LEU 8 35.200 40.420 23.420 1.00 0.00 H +ATOM 134 C LEU 8 39.350 40.390 26.380 1.00 0.00 C +ATOM 135 O LEU 8 39.540 41.610 26.730 1.00 0.00 O +ATOM 136 N ALA 9 39.580 39.380 27.220 1.00 0.00 N +ATOM 137 H ALA 9 39.600 38.440 26.850 1.00 0.00 H +ATOM 138 CA ALA 9 39.910 39.510 28.620 1.00 0.00 C +ATOM 139 HA ALA 9 39.080 40.000 29.120 1.00 0.00 H +ATOM 140 CB ALA 9 40.020 38.120 29.240 1.00 0.00 C +ATOM 141 HB1 ALA 9 40.300 38.100 30.290 1.00 0.00 H +ATOM 142 HB2 ALA 9 39.070 37.580 29.220 1.00 0.00 H +ATOM 143 HB3 ALA 9 40.780 37.580 28.680 1.00 0.00 H +ATOM 144 C ALA 9 41.130 40.360 28.830 1.00 0.00 C +ATOM 145 O ALA 9 41.030 41.350 29.550 1.00 0.00 O +ATOM 146 N ALA 10 42.220 39.980 28.180 1.00 0.00 N +ATOM 147 H ALA 10 42.140 39.170 27.590 1.00 0.00 H +ATOM 148 CA ALA 10 43.440 40.810 28.240 1.00 0.00 C +ATOM 149 HA ALA 10 43.740 40.910 29.280 1.00 0.00 H +ATOM 150 CB ALA 10 44.580 40.130 27.390 1.00 0.00 C +ATOM 151 HB1 ALA 10 44.710 39.100 27.720 1.00 0.00 H +ATOM 152 HB2 ALA 10 44.440 40.100 26.310 1.00 0.00 H +ATOM 153 HB3 ALA 10 45.520 40.660 27.540 1.00 0.00 H +ATOM 154 C ALA 10 43.210 42.230 27.770 1.00 0.00 C +ATOM 155 O ALA 10 43.490 43.210 28.450 1.00 0.00 O +ATOM 156 N ALA 11 42.530 42.450 26.600 1.00 0.00 N +ATOM 157 H ALA 11 42.320 41.590 26.100 1.00 0.00 H +ATOM 158 CA ALA 11 42.090 43.760 26.040 1.00 0.00 C +ATOM 159 HA ALA 11 43.010 44.320 25.860 1.00 0.00 H +ATOM 160 CB ALA 11 41.390 43.570 24.700 1.00 0.00 C +ATOM 161 HB1 ALA 11 42.020 43.060 23.970 1.00 0.00 H +ATOM 162 HB2 ALA 11 40.420 43.080 24.790 1.00 0.00 H +ATOM 163 HB3 ALA 11 41.290 44.550 24.230 1.00 0.00 H +ATOM 164 C ALA 11 41.310 44.620 27.070 1.00 0.00 C +ATOM 165 O ALA 11 41.460 45.870 27.080 1.00 0.00 O +ATOM 166 N MET 12 40.500 43.950 27.870 1.00 0.00 N +ATOM 167 H MET 12 40.200 43.020 27.650 1.00 0.00 H +ATOM 168 CA MET 12 39.740 44.710 28.820 1.00 0.00 C +ATOM 169 HA MET 12 39.480 45.640 28.320 1.00 0.00 H +ATOM 170 CB MET 12 38.490 43.960 29.130 1.00 0.00 C +ATOM 171 HB1 MET 12 38.010 44.320 30.040 1.00 0.00 H +ATOM 172 HB2 MET 12 38.880 42.940 29.220 1.00 0.00 H +ATOM 173 CG MET 12 37.380 43.930 28.060 1.00 0.00 C +ATOM 174 HG1 MET 12 36.700 43.080 28.140 1.00 0.00 H +ATOM 175 HG2 MET 12 37.900 43.720 27.130 1.00 0.00 H +ATOM 176 SD MET 12 36.460 45.380 27.880 1.00 0.00 S +ATOM 177 CE MET 12 35.410 44.990 26.400 1.00 0.00 C +ATOM 178 HE1 MET 12 35.980 45.170 25.490 1.00 0.00 H +ATOM 179 HE2 MET 12 35.080 43.960 26.550 1.00 0.00 H +ATOM 180 HE3 MET 12 34.600 45.720 26.390 1.00 0.00 H +ATOM 181 C MET 12 40.550 44.940 30.200 1.00 0.00 C +ATOM 182 O MET 12 40.430 46.010 30.840 1.00 0.00 O +ATOM 183 N LYS 13 41.320 43.980 30.620 1.00 0.00 N +ATOM 184 H LYS 13 41.300 43.100 30.120 1.00 0.00 H +ATOM 185 CA LYS 13 42.350 44.080 31.770 1.00 0.00 C +ATOM 186 HA LYS 13 41.760 44.470 32.590 1.00 0.00 H +ATOM 187 CB LYS 13 42.960 42.700 32.190 1.00 0.00 C +ATOM 188 HB1 LYS 13 43.550 42.290 31.360 1.00 0.00 H +ATOM 189 HB2 LYS 13 42.170 41.960 32.270 1.00 0.00 H +ATOM 190 CG LYS 13 43.670 42.590 33.530 1.00 0.00 C +ATOM 191 HG1 LYS 13 43.100 43.190 34.250 1.00 0.00 H +ATOM 192 HG2 LYS 13 44.650 43.070 33.500 1.00 0.00 H +ATOM 193 CD LYS 13 43.870 41.180 34.000 1.00 0.00 C +ATOM 194 HD1 LYS 13 44.670 40.710 33.440 1.00 0.00 H +ATOM 195 HD2 LYS 13 42.920 40.680 33.770 1.00 0.00 H +ATOM 196 CE LYS 13 44.100 41.130 35.530 1.00 0.00 C +ATOM 197 HE1 LYS 13 43.140 41.100 36.050 1.00 0.00 H +ATOM 198 HE2 LYS 13 44.650 41.970 35.950 1.00 0.00 H +ATOM 199 NZ LYS 13 44.850 39.940 35.920 1.00 0.00 N +ATOM 200 HZ1 LYS 13 44.310 39.280 36.460 1.00 0.00 H +ATOM 201 HZ2 LYS 13 45.040 39.410 35.090 1.00 0.00 H +ATOM 202 HZ3 LYS 13 45.680 40.210 36.430 1.00 0.00 H +ATOM 203 C LYS 13 43.440 45.080 31.470 1.00 0.00 C +ATOM 204 O LYS 13 43.860 45.830 32.330 1.00 0.00 O +ATOM 205 N ARG 14 43.750 45.280 30.220 1.00 0.00 N +ATOM 206 H ARG 14 43.570 44.490 29.610 1.00 0.00 H +ATOM 207 CA ARG 14 44.810 46.170 29.770 1.00 0.00 C +ATOM 208 HA ARG 14 45.580 46.140 30.540 1.00 0.00 H +ATOM 209 CB ARG 14 45.310 45.890 28.290 1.00 0.00 C +ATOM 210 HB1 ARG 14 44.630 46.320 27.560 1.00 0.00 H +ATOM 211 HB2 ARG 14 45.420 44.860 27.950 1.00 0.00 H +ATOM 212 CG ARG 14 46.680 46.520 27.900 1.00 0.00 C +ATOM 213 HG1 ARG 14 47.380 46.520 28.740 1.00 0.00 H +ATOM 214 HG2 ARG 14 46.450 47.560 27.650 1.00 0.00 H +ATOM 215 CD ARG 14 47.310 45.880 26.620 1.00 0.00 C +ATOM 216 HD1 ARG 14 48.000 46.540 26.090 1.00 0.00 H +ATOM 217 HD2 ARG 14 46.510 45.640 25.920 1.00 0.00 H +ATOM 218 NE ARG 14 47.960 44.660 27.090 1.00 0.00 N +ATOM 219 HE ARG 14 48.140 44.790 28.080 1.00 0.00 H +ATOM 220 CZ ARG 14 48.140 43.510 26.470 1.00 0.00 C +ATOM 221 NH1 ARG 14 47.720 43.330 25.210 1.00 0.00 N +ATOM 222 HH11 ARG 14 47.520 44.120 24.620 1.00 0.00 H +ATOM 223 HH12 ARG 14 47.520 42.410 24.860 1.00 0.00 H +ATOM 224 NH2 ARG 14 48.700 42.490 27.040 1.00 0.00 N +ATOM 225 HH21 ARG 14 48.810 42.530 28.050 1.00 0.00 H +ATOM 226 HH22 ARG 14 48.500 41.600 26.600 1.00 0.00 H +ATOM 227 C ARG 14 44.180 47.590 29.770 1.00 0.00 C +ATOM 228 O ARG 14 44.820 48.530 30.120 1.00 0.00 O +ATOM 229 N HIS 15 42.870 47.700 29.390 1.00 0.00 N +ATOM 230 H HIS 15 42.390 46.820 29.250 1.00 0.00 H +ATOM 231 CA HIS 15 42.130 48.980 29.500 1.00 0.00 C +ATOM 232 HA HIS 15 42.700 49.910 29.410 1.00 0.00 H +ATOM 233 CB HIS 15 41.090 49.170 28.350 1.00 0.00 C +ATOM 234 HB1 HIS 15 40.370 49.950 28.610 1.00 0.00 H +ATOM 235 HB2 HIS 15 40.540 48.230 28.350 1.00 0.00 H +ATOM 236 CG HIS 15 41.600 49.550 26.980 1.00 0.00 C +ATOM 237 ND1 HIS 15 42.890 49.560 26.520 1.00 0.00 N +ATOM 238 CE1 HIS 15 42.810 49.820 25.220 1.00 0.00 C +ATOM 239 HE1 HIS 15 43.630 50.030 24.560 1.00 0.00 H +ATOM 240 NE2 HIS 15 41.550 49.920 24.860 1.00 0.00 N +ATOM 241 HE2 HIS 15 41.120 50.100 23.970 1.00 0.00 H +ATOM 242 CD2 HIS 15 40.790 49.830 25.970 1.00 0.00 C +ATOM 243 HD2 HIS 15 39.710 49.920 26.030 1.00 0.00 H +ATOM 244 C HIS 15 41.510 49.270 30.830 1.00 0.00 C +ATOM 245 O HIS 15 40.600 50.110 30.990 1.00 0.00 O +ATOM 246 N GLY 16 41.950 48.490 31.880 1.00 0.00 N +ATOM 247 H GLY 16 42.640 47.790 31.640 1.00 0.00 H +ATOM 248 CA GLY 16 41.650 48.790 33.280 1.00 0.00 C +ATOM 249 HA1 GLY 16 41.710 49.880 33.340 1.00 0.00 H +ATOM 250 HA2 GLY 16 42.480 48.280 33.780 1.00 0.00 H +ATOM 251 C GLY 16 40.330 48.260 33.830 1.00 0.00 C +ATOM 252 O GLY 16 39.810 48.900 34.740 1.00 0.00 O +ATOM 253 N LEU 17 39.710 47.210 33.330 1.00 0.00 N +ATOM 254 H LEU 17 40.160 46.910 32.480 1.00 0.00 H +ATOM 255 CA LEU 17 38.400 46.670 33.640 1.00 0.00 C +ATOM 256 HA LEU 17 37.970 47.370 34.350 1.00 0.00 H +ATOM 257 CB LEU 17 37.600 46.530 32.390 1.00 0.00 C +ATOM 258 HB1 LEU 17 36.740 45.890 32.600 1.00 0.00 H +ATOM 259 HB2 LEU 17 38.150 46.040 31.590 1.00 0.00 H +ATOM 260 CG LEU 17 37.060 47.920 31.930 1.00 0.00 C +ATOM 261 HG LEU 17 37.890 48.620 31.960 1.00 0.00 H +ATOM 262 CD1 LEU 17 36.510 47.720 30.530 1.00 0.00 C +ATOM 263 HD11 LEU 17 35.860 48.580 30.330 1.00 0.00 H +ATOM 264 HD12 LEU 17 37.420 47.630 29.940 1.00 0.00 H +ATOM 265 HD13 LEU 17 35.960 46.780 30.520 1.00 0.00 H +ATOM 266 CD2 LEU 17 36.040 48.360 32.940 1.00 0.00 C +ATOM 267 HD21 LEU 17 35.410 47.520 33.240 1.00 0.00 H +ATOM 268 HD22 LEU 17 36.600 48.800 33.760 1.00 0.00 H +ATOM 269 HD23 LEU 17 35.400 49.180 32.610 1.00 0.00 H +ATOM 270 C LEU 17 38.380 45.450 34.610 1.00 0.00 C +ATOM 271 O LEU 17 37.310 44.860 34.800 1.00 0.00 O +ATOM 272 N ASP 18 39.450 45.010 35.260 1.00 0.00 N +ATOM 273 H ASP 18 40.290 45.560 35.220 1.00 0.00 H +ATOM 274 CA ASP 18 39.470 43.930 36.200 1.00 0.00 C +ATOM 275 HA ASP 18 38.920 43.070 35.820 1.00 0.00 H +ATOM 276 CB ASP 18 40.900 43.460 36.380 1.00 0.00 C +ATOM 277 HB1 ASP 18 41.530 44.260 36.750 1.00 0.00 H +ATOM 278 HB2 ASP 18 41.290 43.240 35.390 1.00 0.00 H +ATOM 279 CG ASP 18 41.080 42.110 37.060 1.00 0.00 C +ATOM 280 OD1 ASP 18 40.860 41.030 36.450 1.00 0.00 O +ATOM 281 OD2 ASP 18 41.530 42.070 38.220 1.00 0.00 O +ATOM 282 C ASP 18 38.800 44.320 37.550 1.00 0.00 C +ATOM 283 O ASP 18 39.310 45.180 38.240 1.00 0.00 O +ATOM 284 N ASN 19 37.750 43.630 37.900 1.00 0.00 N +ATOM 285 H ASN 19 37.400 42.970 37.220 1.00 0.00 H +ATOM 286 CA ASN 19 36.810 44.110 38.980 1.00 0.00 C +ATOM 287 HA ASN 19 35.810 43.730 38.780 1.00 0.00 H +ATOM 288 CB ASN 19 37.260 43.480 40.300 1.00 0.00 C +ATOM 289 HB1 ASN 19 38.150 44.020 40.630 1.00 0.00 H +ATOM 290 HB2 ASN 19 37.510 42.430 40.160 1.00 0.00 H +ATOM 291 CG ASN 19 36.220 43.330 41.410 1.00 0.00 C +ATOM 292 OD1 ASN 19 35.160 42.860 41.130 1.00 0.00 O +ATOM 293 ND2 ASN 19 36.490 43.740 42.640 1.00 0.00 N +ATOM 294 HD21 ASN 19 37.380 44.160 42.860 1.00 0.00 H +ATOM 295 HD22 ASN 19 35.800 43.650 43.370 1.00 0.00 H +ATOM 296 C ASN 19 36.600 45.610 39.040 1.00 0.00 C +ATOM 297 O ASN 19 36.610 46.130 40.110 1.00 0.00 O +ATOM 298 N TYR 20 36.450 46.310 37.890 1.00 0.00 N +ATOM 299 H TYR 20 36.200 45.740 37.100 1.00 0.00 H +ATOM 300 CA TYR 20 36.010 47.680 37.880 1.00 0.00 C +ATOM 301 HA TYR 20 36.730 48.190 38.530 1.00 0.00 H +ATOM 302 CB TYR 20 36.130 48.250 36.490 1.00 0.00 C +ATOM 303 HB1 TYR 20 35.290 47.950 35.870 1.00 0.00 H +ATOM 304 HB2 TYR 20 37.000 47.890 35.940 1.00 0.00 H +ATOM 305 CG TYR 20 36.160 49.730 36.570 1.00 0.00 C +ATOM 306 CD1 TYR 20 37.390 50.380 36.610 1.00 0.00 C +ATOM 307 HD1 TYR 20 38.320 49.840 36.600 1.00 0.00 H +ATOM 308 CE1 TYR 20 37.400 51.800 36.630 1.00 0.00 C +ATOM 309 HE1 TYR 20 38.330 52.330 36.750 1.00 0.00 H +ATOM 310 CZ TYR 20 36.200 52.550 36.650 1.00 0.00 C +ATOM 311 OH TYR 20 36.200 53.940 36.590 1.00 0.00 O +ATOM 312 HH TYR 20 35.300 54.250 36.710 1.00 0.00 H +ATOM 313 CE2 TYR 20 34.970 51.900 36.530 1.00 0.00 C +ATOM 314 HE2 TYR 20 34.010 52.380 36.630 1.00 0.00 H +ATOM 315 CD2 TYR 20 34.950 50.490 36.610 1.00 0.00 C +ATOM 316 HD2 TYR 20 33.950 50.100 36.570 1.00 0.00 H +ATOM 317 C TYR 20 34.660 47.950 38.670 1.00 0.00 C +ATOM 318 O TYR 20 33.690 47.290 38.390 1.00 0.00 O +ATOM 319 N ARG 21 34.740 48.860 39.660 1.00 0.00 N +ATOM 320 H ARG 21 35.670 49.190 39.840 1.00 0.00 H +ATOM 321 CA ARG 21 33.630 49.140 40.640 1.00 0.00 C +ATOM 322 HA ARG 21 34.020 49.850 41.370 1.00 0.00 H +ATOM 323 CB ARG 21 32.560 49.880 39.880 1.00 0.00 C +ATOM 324 HB1 ARG 21 31.990 49.110 39.360 1.00 0.00 H +ATOM 325 HB2 ARG 21 33.050 50.460 39.110 1.00 0.00 H +ATOM 326 CG ARG 21 31.550 50.720 40.690 1.00 0.00 C +ATOM 327 HG1 ARG 21 32.070 51.520 41.210 1.00 0.00 H +ATOM 328 HG2 ARG 21 31.120 50.110 41.480 1.00 0.00 H +ATOM 329 CD ARG 21 30.470 51.350 39.820 1.00 0.00 C +ATOM 330 HD1 ARG 21 29.550 51.120 40.360 1.00 0.00 H +ATOM 331 HD2 ARG 21 30.300 50.980 38.810 1.00 0.00 H +ATOM 332 NE ARG 21 30.600 52.770 39.760 1.00 0.00 N +ATOM 333 HE ARG 21 31.230 53.190 39.090 1.00 0.00 H +ATOM 334 CZ ARG 21 30.150 53.610 40.590 1.00 0.00 C +ATOM 335 NH1 ARG 21 30.430 54.870 40.570 1.00 0.00 N +ATOM 336 HH11 ARG 21 31.210 55.110 39.980 1.00 0.00 H +ATOM 337 HH12 ARG 21 30.220 55.420 41.400 1.00 0.00 H +ATOM 338 NH2 ARG 21 29.270 53.320 41.550 1.00 0.00 N +ATOM 339 HH21 ARG 21 28.780 52.440 41.630 1.00 0.00 H +ATOM 340 HH22 ARG 21 29.180 53.960 42.320 1.00 0.00 H +ATOM 341 C ARG 21 33.160 47.870 41.430 1.00 0.00 C +ATOM 342 O ARG 21 32.160 47.940 42.220 1.00 0.00 O +ATOM 343 N GLY 22 33.860 46.750 41.380 1.00 0.00 N +ATOM 344 H GLY 22 34.680 46.660 40.780 1.00 0.00 H +ATOM 345 CA GLY 22 33.350 45.540 41.950 1.00 0.00 C +ATOM 346 HA1 GLY 22 32.630 45.650 42.750 1.00 0.00 H +ATOM 347 HA2 GLY 22 34.260 45.100 42.380 1.00 0.00 H +ATOM 348 C GLY 22 32.710 44.490 41.020 1.00 0.00 C +ATOM 349 O GLY 22 32.210 43.450 41.450 1.00 0.00 O +ATOM 350 N TYR 23 32.650 44.760 39.680 1.00 0.00 N +ATOM 351 H TYR 23 33.020 45.640 39.340 1.00 0.00 H +ATOM 352 CA TYR 23 32.200 43.720 38.680 1.00 0.00 C +ATOM 353 HA TYR 23 31.730 42.820 39.080 1.00 0.00 H +ATOM 354 CB TYR 23 31.220 44.420 37.790 1.00 0.00 C +ATOM 355 HB1 TYR 23 31.170 43.890 36.840 1.00 0.00 H +ATOM 356 HB2 TYR 23 31.570 45.410 37.500 1.00 0.00 H +ATOM 357 CG TYR 23 29.910 44.550 38.480 1.00 0.00 C +ATOM 358 CD1 TYR 23 28.870 43.630 38.180 1.00 0.00 C +ATOM 359 HD1 TYR 23 29.020 42.680 37.680 1.00 0.00 H +ATOM 360 CE1 TYR 23 27.610 43.750 38.750 1.00 0.00 C +ATOM 361 HE1 TYR 23 26.870 42.970 38.670 1.00 0.00 H +ATOM 362 CZ TYR 23 27.290 44.970 39.390 1.00 0.00 C +ATOM 363 OH TYR 23 25.980 45.190 39.550 1.00 0.00 O +ATOM 364 HH TYR 23 25.820 46.030 39.980 1.00 0.00 H +ATOM 365 CE2 TYR 23 28.270 45.990 39.610 1.00 0.00 C +ATOM 366 HE2 TYR 23 27.940 46.820 40.200 1.00 0.00 H +ATOM 367 CD2 TYR 23 29.590 45.750 39.150 1.00 0.00 C +ATOM 368 HD2 TYR 23 30.400 46.450 39.260 1.00 0.00 H +ATOM 369 C TYR 23 33.460 43.130 37.940 1.00 0.00 C +ATOM 370 O TYR 23 34.080 43.840 37.130 1.00 0.00 O +ATOM 371 N SER 24 33.840 41.870 38.270 1.00 0.00 N +ATOM 372 H SER 24 33.270 41.380 38.930 1.00 0.00 H +ATOM 373 CA SER 24 35.060 41.170 37.900 1.00 0.00 C +ATOM 374 HA SER 24 35.930 41.740 38.220 1.00 0.00 H +ATOM 375 CB SER 24 35.190 39.900 38.720 1.00 0.00 C +ATOM 376 HB1 SER 24 35.170 40.110 39.790 1.00 0.00 H +ATOM 377 HB2 SER 24 36.200 39.540 38.550 1.00 0.00 H +ATOM 378 OG SER 24 34.140 39.010 38.550 1.00 0.00 O +ATOM 379 HG SER 24 34.300 38.270 39.130 1.00 0.00 H +ATOM 380 C SER 24 35.130 40.990 36.400 1.00 0.00 C +ATOM 381 O SER 24 34.110 41.150 35.670 1.00 0.00 O +ATOM 382 N LEU 25 36.340 40.760 35.850 1.00 0.00 N +ATOM 383 H LEU 25 37.160 40.720 36.440 1.00 0.00 H +ATOM 384 CA LEU 25 36.510 40.610 34.380 1.00 0.00 C +ATOM 385 HA LEU 25 36.350 41.590 33.930 1.00 0.00 H +ATOM 386 CB LEU 25 38.030 40.210 34.220 1.00 0.00 C +ATOM 387 HB1 LEU 25 38.170 39.220 34.650 1.00 0.00 H +ATOM 388 HB2 LEU 25 38.610 40.920 34.800 1.00 0.00 H +ATOM 389 CG LEU 25 38.500 40.120 32.770 1.00 0.00 C +ATOM 390 HG LEU 25 37.890 39.420 32.190 1.00 0.00 H +ATOM 391 CD1 LEU 25 38.380 41.450 32.050 1.00 0.00 C +ATOM 392 HD11 LEU 25 37.340 41.760 32.150 1.00 0.00 H +ATOM 393 HD12 LEU 25 38.930 42.280 32.510 1.00 0.00 H +ATOM 394 HD13 LEU 25 38.690 41.450 31.000 1.00 0.00 H +ATOM 395 CD2 LEU 25 40.050 39.650 32.680 1.00 0.00 C +ATOM 396 HD21 LEU 25 40.770 40.270 33.220 1.00 0.00 H +ATOM 397 HD22 LEU 25 40.140 38.630 33.050 1.00 0.00 H +ATOM 398 HD23 LEU 25 40.360 39.650 31.640 1.00 0.00 H +ATOM 399 C LEU 25 35.540 39.690 33.610 1.00 0.00 C +ATOM 400 O LEU 25 35.050 40.080 32.540 1.00 0.00 O +ATOM 401 N GLY 26 35.240 38.540 34.200 1.00 0.00 N +ATOM 402 H GLY 26 35.650 38.230 35.060 1.00 0.00 H +ATOM 403 CA GLY 26 34.370 37.600 33.510 1.00 0.00 C +ATOM 404 HA1 GLY 26 34.220 36.700 34.100 1.00 0.00 H +ATOM 405 HA2 GLY 26 34.870 37.280 32.590 1.00 0.00 H +ATOM 406 C GLY 26 32.990 38.120 33.090 1.00 0.00 C +ATOM 407 O GLY 26 32.350 37.640 32.150 1.00 0.00 O +ATOM 408 N ASN 27 32.520 39.200 33.750 1.00 0.00 N +ATOM 409 H ASN 27 33.130 39.580 34.460 1.00 0.00 H +ATOM 410 CA ASN 27 31.390 40.060 33.370 1.00 0.00 C +ATOM 411 HA ASN 27 30.530 39.390 33.350 1.00 0.00 H +ATOM 412 CB ASN 27 31.270 41.160 34.420 1.00 0.00 C +ATOM 413 HB1 ASN 27 30.610 41.970 34.090 1.00 0.00 H +ATOM 414 HB2 ASN 27 32.250 41.620 34.530 1.00 0.00 H +ATOM 415 CG ASN 27 30.720 40.720 35.770 1.00 0.00 C +ATOM 416 OD1 ASN 27 29.550 40.830 35.980 1.00 0.00 O +ATOM 417 ND2 ASN 27 31.600 40.280 36.610 1.00 0.00 N +ATOM 418 HD21 ASN 27 32.580 40.300 36.400 1.00 0.00 H +ATOM 419 HD22 ASN 27 31.260 40.180 37.560 1.00 0.00 H +ATOM 420 C ASN 27 31.450 40.550 31.960 1.00 0.00 C +ATOM 421 O ASN 27 30.550 40.460 31.160 1.00 0.00 O +ATOM 422 N TRP 28 32.560 41.300 31.670 1.00 0.00 N +ATOM 423 H TRP 28 33.180 41.310 32.470 1.00 0.00 H +ATOM 424 CA TRP 28 32.850 42.010 30.420 1.00 0.00 C +ATOM 425 HA TRP 28 31.930 42.550 30.200 1.00 0.00 H +ATOM 426 CB TRP 28 33.930 43.060 30.850 1.00 0.00 C +ATOM 427 HB1 TRP 28 33.940 43.740 29.990 1.00 0.00 H +ATOM 428 HB2 TRP 28 34.910 42.620 31.010 1.00 0.00 H +ATOM 429 CG TRP 28 33.730 43.950 32.040 1.00 0.00 C +ATOM 430 CD1 TRP 28 34.070 43.640 33.330 1.00 0.00 C +ATOM 431 HD1 TRP 28 34.570 42.760 33.700 1.00 0.00 H +ATOM 432 NE1 TRP 28 33.720 44.680 34.150 1.00 0.00 N +ATOM 433 HE1 TRP 28 33.810 44.680 35.150 1.00 0.00 H +ATOM 434 CE2 TRP 28 33.180 45.700 33.460 1.00 0.00 C +ATOM 435 CZ2 TRP 28 32.580 46.920 33.820 1.00 0.00 C +ATOM 436 HZ2 TRP 28 32.400 47.100 34.870 1.00 0.00 H +ATOM 437 CH2 TRP 28 31.970 47.760 32.850 1.00 0.00 C +ATOM 438 HH2 TRP 28 31.610 48.770 33.040 1.00 0.00 H +ATOM 439 CZ3 TRP 28 32.200 47.420 31.550 1.00 0.00 C +ATOM 440 HZ3 TRP 28 31.850 48.100 30.790 1.00 0.00 H +ATOM 441 CE3 TRP 28 32.670 46.160 31.170 1.00 0.00 C +ATOM 442 HE3 TRP 28 32.770 45.920 30.120 1.00 0.00 H +ATOM 443 CD2 TRP 28 33.180 45.260 32.110 1.00 0.00 C +ATOM 444 C TRP 28 33.240 41.060 29.240 1.00 0.00 C +ATOM 445 O TRP 28 32.850 41.390 28.120 1.00 0.00 O +ATOM 446 N VAL 29 33.560 39.740 29.470 1.00 0.00 N +ATOM 447 H VAL 29 33.810 39.580 30.440 1.00 0.00 H +ATOM 448 CA VAL 29 33.620 38.720 28.410 1.00 0.00 C +ATOM 449 HA VAL 29 33.820 39.170 27.440 1.00 0.00 H +ATOM 450 CB VAL 29 34.740 37.680 28.810 1.00 0.00 C +ATOM 451 HB VAL 29 34.670 37.210 29.790 1.00 0.00 H +ATOM 452 CG1 VAL 29 34.870 36.550 27.820 1.00 0.00 C +ATOM 453 HG11 VAL 29 34.080 35.810 27.980 1.00 0.00 H +ATOM 454 HG12 VAL 29 34.830 36.880 26.790 1.00 0.00 H +ATOM 455 HG13 VAL 29 35.850 36.100 27.960 1.00 0.00 H +ATOM 456 CG2 VAL 29 36.030 38.570 28.730 1.00 0.00 C +ATOM 457 HG21 VAL 29 36.910 37.940 28.760 1.00 0.00 H +ATOM 458 HG22 VAL 29 36.100 39.020 27.730 1.00 0.00 H +ATOM 459 HG23 VAL 29 36.000 39.230 29.600 1.00 0.00 H +ATOM 460 C VAL 29 32.220 38.070 28.310 1.00 0.00 C +ATOM 461 O VAL 29 31.680 37.860 27.180 1.00 0.00 O +ATOM 462 N CYS 30 31.430 37.900 29.430 1.00 0.00 N +ATOM 463 H CYS 30 31.810 37.650 30.340 1.00 0.00 H +ATOM 464 CA CYS 30 30.100 37.330 29.270 1.00 0.00 C +ATOM 465 HA CYS 30 30.080 36.410 28.690 1.00 0.00 H +ATOM 466 CB CYS 30 29.570 36.650 30.570 1.00 0.00 C +ATOM 467 HB1 CYS 30 29.670 37.370 31.380 1.00 0.00 H +ATOM 468 HB2 CYS 30 30.260 35.830 30.790 1.00 0.00 H +ATOM 469 SG CYS 30 27.890 35.900 30.600 1.00 0.00 S +ATOM 470 C CYS 30 29.110 38.370 28.580 1.00 0.00 C +ATOM 471 O CYS 30 28.270 38.000 27.760 1.00 0.00 O +ATOM 472 N ALA 31 29.290 39.680 28.770 1.00 0.00 N +ATOM 473 H ALA 31 29.860 39.970 29.550 1.00 0.00 H +ATOM 474 CA ALA 31 28.490 40.710 28.140 1.00 0.00 C +ATOM 475 HA ALA 31 27.460 40.360 28.230 1.00 0.00 H +ATOM 476 CB ALA 31 28.740 42.080 28.910 1.00 0.00 C +ATOM 477 HB1 ALA 31 28.140 42.800 28.360 1.00 0.00 H +ATOM 478 HB2 ALA 31 28.280 42.120 29.900 1.00 0.00 H +ATOM 479 HB3 ALA 31 29.780 42.330 29.070 1.00 0.00 H +ATOM 480 C ALA 31 28.860 40.760 26.610 1.00 0.00 C +ATOM 481 O ALA 31 28.030 40.740 25.730 1.00 0.00 O +ATOM 482 N ALA 32 30.150 40.700 26.210 1.00 0.00 N +ATOM 483 H ALA 32 30.770 40.530 26.990 1.00 0.00 H +ATOM 484 CA ALA 32 30.580 40.820 24.830 1.00 0.00 C +ATOM 485 HA ALA 32 30.110 41.670 24.330 1.00 0.00 H +ATOM 486 CB ALA 32 32.110 40.980 24.840 1.00 0.00 C +ATOM 487 HB1 ALA 32 32.490 41.830 25.400 1.00 0.00 H +ATOM 488 HB2 ALA 32 32.490 40.020 25.180 1.00 0.00 H +ATOM 489 HB3 ALA 32 32.520 41.170 23.850 1.00 0.00 H +ATOM 490 C ALA 32 30.250 39.510 24.050 1.00 0.00 C +ATOM 491 O ALA 32 30.120 39.560 22.850 1.00 0.00 O +ATOM 492 N LYS 33 29.950 38.350 24.740 1.00 0.00 N +ATOM 493 H LYS 33 30.180 38.320 25.730 1.00 0.00 H +ATOM 494 CA LYS 33 29.430 37.120 24.180 1.00 0.00 C +ATOM 495 HA LYS 33 30.040 36.870 23.320 1.00 0.00 H +ATOM 496 CB LYS 33 29.650 35.850 25.100 1.00 0.00 C +ATOM 497 HB1 LYS 33 29.250 36.080 26.090 1.00 0.00 H +ATOM 498 HB2 LYS 33 30.710 35.590 25.180 1.00 0.00 H +ATOM 499 CG LYS 33 28.950 34.630 24.550 1.00 0.00 C +ATOM 500 HG1 LYS 33 27.980 35.030 24.260 1.00 0.00 H +ATOM 501 HG2 LYS 33 28.840 33.930 25.380 1.00 0.00 H +ATOM 502 CD LYS 33 29.700 33.900 23.400 1.00 0.00 C +ATOM 503 HD1 LYS 33 30.720 33.710 23.740 1.00 0.00 H +ATOM 504 HD2 LYS 33 29.720 34.600 22.570 1.00 0.00 H +ATOM 505 CE LYS 33 28.990 32.650 22.910 1.00 0.00 C +ATOM 506 HE1 LYS 33 27.980 32.860 22.550 1.00 0.00 H +ATOM 507 HE2 LYS 33 28.830 32.040 23.810 1.00 0.00 H +ATOM 508 NZ LYS 33 29.760 31.900 21.910 1.00 0.00 N +ATOM 509 HZ1 LYS 33 30.620 31.510 22.270 1.00 0.00 H +ATOM 510 HZ2 LYS 33 29.220 31.140 21.510 1.00 0.00 H +ATOM 511 HZ3 LYS 33 30.060 32.530 21.190 1.00 0.00 H +ATOM 512 C LYS 33 27.980 37.330 23.780 1.00 0.00 C +ATOM 513 O LYS 33 27.600 37.060 22.630 1.00 0.00 O +ATOM 514 N PHE 34 27.050 37.830 24.670 1.00 0.00 N +ATOM 515 H PHE 34 27.380 38.100 25.580 1.00 0.00 H +ATOM 516 CA PHE 34 25.650 37.930 24.390 1.00 0.00 C +ATOM 517 HA PHE 34 25.430 37.280 23.550 1.00 0.00 H +ATOM 518 CB PHE 34 24.810 37.400 25.540 1.00 0.00 C +ATOM 519 HB1 PHE 34 23.790 37.420 25.160 1.00 0.00 H +ATOM 520 HB2 PHE 34 25.060 37.990 26.420 1.00 0.00 H +ATOM 521 CG PHE 34 25.130 35.950 25.790 1.00 0.00 C +ATOM 522 CD1 PHE 34 24.690 35.010 24.850 1.00 0.00 C +ATOM 523 HD1 PHE 34 24.220 35.290 23.920 1.00 0.00 H +ATOM 524 CE1 PHE 34 25.030 33.650 25.040 1.00 0.00 C +ATOM 525 HE1 PHE 34 24.630 32.940 24.320 1.00 0.00 H +ATOM 526 CZ PHE 34 25.730 33.200 26.180 1.00 0.00 C +ATOM 527 HZ PHE 34 26.120 32.190 26.260 1.00 0.00 H +ATOM 528 CE2 PHE 34 26.130 34.150 27.160 1.00 0.00 C +ATOM 529 HE2 PHE 34 26.720 33.920 28.040 1.00 0.00 H +ATOM 530 CD2 PHE 34 25.900 35.530 26.900 1.00 0.00 C +ATOM 531 HD2 PHE 34 26.260 36.270 27.610 1.00 0.00 H +ATOM 532 C PHE 34 25.190 39.340 23.890 1.00 0.00 C +ATOM 533 O PHE 34 24.340 39.360 23.040 1.00 0.00 O +ATOM 534 N GLU 35 25.780 40.470 24.300 1.00 0.00 N +ATOM 535 H GLU 35 26.470 40.450 25.030 1.00 0.00 H +ATOM 536 CA GLU 35 25.370 41.800 23.720 1.00 0.00 C +ATOM 537 HA GLU 35 24.290 41.920 23.620 1.00 0.00 H +ATOM 538 CB GLU 35 25.880 42.910 24.710 1.00 0.00 C +ATOM 539 HB1 GLU 35 25.890 43.880 24.200 1.00 0.00 H +ATOM 540 HB2 GLU 35 26.910 42.700 24.990 1.00 0.00 H +ATOM 541 CG GLU 35 25.040 43.160 25.940 1.00 0.00 C +ATOM 542 HG1 GLU 35 25.590 43.860 26.560 1.00 0.00 H +ATOM 543 HG2 GLU 35 24.880 42.270 26.560 1.00 0.00 H +ATOM 544 CD GLU 35 23.670 43.860 25.630 1.00 0.00 C +ATOM 545 OE1 GLU 35 22.640 43.540 26.260 1.00 0.00 O +ATOM 546 OE2 GLU 35 23.560 44.790 24.820 1.00 0.00 O +ATOM 547 C GLU 35 25.820 42.070 22.320 1.00 0.00 C +ATOM 548 O GLU 35 25.000 42.410 21.490 1.00 0.00 O +ATOM 549 N SER 36 27.020 41.660 21.990 1.00 0.00 N +ATOM 550 H SER 36 27.550 41.190 22.710 1.00 0.00 H +ATOM 551 CA SER 36 27.710 42.120 20.740 1.00 0.00 C +ATOM 552 HA SER 36 26.970 42.630 20.140 1.00 0.00 H +ATOM 553 CB SER 36 28.730 43.140 21.110 1.00 0.00 C +ATOM 554 HB1 SER 36 28.280 43.870 21.780 1.00 0.00 H +ATOM 555 HB2 SER 36 29.170 43.600 20.220 1.00 0.00 H +ATOM 556 OG SER 36 29.750 42.610 21.910 1.00 0.00 O +ATOM 557 HG SER 36 30.010 43.260 22.570 1.00 0.00 H +ATOM 558 C SER 36 28.420 41.030 19.940 1.00 0.00 C +ATOM 559 O SER 36 28.710 41.290 18.770 1.00 0.00 O +ATOM 560 N ASN 37 28.560 39.820 20.450 1.00 0.00 N +ATOM 561 H ASN 37 28.180 39.740 21.390 1.00 0.00 H +ATOM 562 CA ASN 37 29.180 38.650 19.830 1.00 0.00 C +ATOM 563 HA ASN 37 29.100 37.890 20.610 1.00 0.00 H +ATOM 564 CB ASN 37 28.210 38.120 18.670 1.00 0.00 C +ATOM 565 HB1 ASN 37 28.260 38.820 17.840 1.00 0.00 H +ATOM 566 HB2 ASN 37 27.190 38.140 19.060 1.00 0.00 H +ATOM 567 CG ASN 37 28.490 36.680 18.210 1.00 0.00 C +ATOM 568 OD1 ASN 37 28.820 35.830 19.010 1.00 0.00 O +ATOM 569 ND2 ASN 37 28.270 36.370 16.960 1.00 0.00 N +ATOM 570 HD21 ASN 37 27.660 36.920 16.390 1.00 0.00 H +ATOM 571 HD22 ASN 37 28.320 35.400 16.700 1.00 0.00 H +ATOM 572 C ASN 37 30.680 38.820 19.560 1.00 0.00 C +ATOM 573 O ASN 37 31.190 38.360 18.500 1.00 0.00 O +ATOM 574 N PHE 38 31.460 39.580 20.420 1.00 0.00 N +ATOM 575 H PHE 38 30.960 39.810 21.270 1.00 0.00 H +ATOM 576 CA PHE 38 32.810 40.000 20.240 1.00 0.00 C +ATOM 577 HA PHE 38 33.120 40.740 20.980 1.00 0.00 H +ATOM 578 CB PHE 38 33.730 38.750 20.300 1.00 0.00 C +ATOM 579 HB1 PHE 38 34.780 39.000 20.120 1.00 0.00 H +ATOM 580 HB2 PHE 38 33.370 38.140 19.480 1.00 0.00 H +ATOM 581 CG PHE 38 33.730 37.880 21.550 1.00 0.00 C +ATOM 582 CD1 PHE 38 33.490 38.310 22.870 1.00 0.00 C +ATOM 583 HD1 PHE 38 33.380 39.370 23.090 1.00 0.00 H +ATOM 584 CE1 PHE 38 33.410 37.400 23.960 1.00 0.00 C +ATOM 585 HE1 PHE 38 33.220 37.710 24.970 1.00 0.00 H +ATOM 586 CZ PHE 38 33.740 36.060 23.740 1.00 0.00 C +ATOM 587 HZ PHE 38 33.730 35.340 24.540 1.00 0.00 H +ATOM 588 CE2 PHE 38 33.890 35.620 22.410 1.00 0.00 C +ATOM 589 HE2 PHE 38 34.110 34.570 22.260 1.00 0.00 H +ATOM 590 CD2 PHE 38 33.960 36.510 21.330 1.00 0.00 C +ATOM 591 HD2 PHE 38 34.080 36.080 20.350 1.00 0.00 H +ATOM 592 C PHE 38 33.160 40.900 19.000 1.00 0.00 C +ATOM 593 O PHE 38 34.310 40.830 18.590 1.00 0.00 O +ATOM 594 N ASN 39 32.200 41.630 18.430 1.00 0.00 N +ATOM 595 H ASN 39 31.290 41.690 18.870 1.00 0.00 H +ATOM 596 CA ASN 39 32.350 42.270 17.160 1.00 0.00 C +ATOM 597 HA ASN 39 33.250 42.020 16.590 1.00 0.00 H +ATOM 598 CB ASN 39 31.150 41.720 16.330 1.00 0.00 C +ATOM 599 HB1 ASN 39 30.230 41.710 16.920 1.00 0.00 H +ATOM 600 HB2 ASN 39 31.420 40.680 16.160 1.00 0.00 H +ATOM 601 CG ASN 39 30.840 42.460 15.090 1.00 0.00 C +ATOM 602 OD1 ASN 39 31.600 43.310 14.660 1.00 0.00 O +ATOM 603 ND2 ASN 39 29.700 42.340 14.550 1.00 0.00 N +ATOM 604 HD21 ASN 39 29.130 41.590 14.910 1.00 0.00 H +ATOM 605 HD22 ASN 39 29.550 42.800 13.660 1.00 0.00 H +ATOM 606 C ASN 39 32.280 43.810 17.430 1.00 0.00 C +ATOM 607 O ASN 39 31.280 44.270 18.020 1.00 0.00 O +ATOM 608 N THR 40 33.250 44.570 16.960 1.00 0.00 N +ATOM 609 H THR 40 34.010 44.140 16.440 1.00 0.00 H +ATOM 610 CA THR 40 33.130 46.050 17.180 1.00 0.00 C +ATOM 611 HA THR 40 32.680 46.230 18.160 1.00 0.00 H +ATOM 612 CB THR 40 34.470 46.640 17.060 1.00 0.00 C +ATOM 613 HB THR 40 34.420 47.710 16.850 1.00 0.00 H +ATOM 614 CG2 THR 40 35.350 46.390 18.280 1.00 0.00 C +ATOM 615 HG21 THR 40 35.330 45.330 18.560 1.00 0.00 H +ATOM 616 HG22 THR 40 36.320 46.850 18.090 1.00 0.00 H +ATOM 617 HG23 THR 40 34.930 46.810 19.190 1.00 0.00 H +ATOM 618 OG1 THR 40 35.070 46.220 15.820 1.00 0.00 O +ATOM 619 HG1 THR 40 35.260 46.930 15.200 1.00 0.00 H +ATOM 620 C THR 40 32.150 46.850 16.230 1.00 0.00 C +ATOM 621 O THR 40 31.750 48.030 16.530 1.00 0.00 O +ATOM 622 N GLN 41 31.600 46.180 15.250 1.00 0.00 N +ATOM 623 H GLN 41 31.940 45.240 15.100 1.00 0.00 H +ATOM 624 CA GLN 41 30.640 46.750 14.290 1.00 0.00 C +ATOM 625 HA GLN 41 30.810 47.830 14.290 1.00 0.00 H +ATOM 626 CB GLN 41 30.970 46.390 12.840 1.00 0.00 C +ATOM 627 HB1 GLN 41 30.090 46.700 12.280 1.00 0.00 H +ATOM 628 HB2 GLN 41 31.120 45.310 12.880 1.00 0.00 H +ATOM 629 CG GLN 41 32.290 46.960 12.360 1.00 0.00 C +ATOM 630 HG1 GLN 41 33.070 46.620 13.050 1.00 0.00 H +ATOM 631 HG2 GLN 41 32.100 48.020 12.480 1.00 0.00 H +ATOM 632 CD GLN 41 32.690 46.610 10.920 1.00 0.00 C +ATOM 633 OE1 GLN 41 32.300 45.680 10.240 1.00 0.00 O +ATOM 634 NE2 GLN 41 33.420 47.480 10.350 1.00 0.00 N +ATOM 635 HE21 GLN 41 33.640 48.330 10.840 1.00 0.00 H +ATOM 636 HE22 GLN 41 33.510 47.450 9.340 1.00 0.00 H +ATOM 637 C GLN 41 29.140 46.500 14.700 1.00 0.00 C +ATOM 638 O GLN 41 28.210 47.000 14.120 1.00 0.00 O +ATOM 639 N ALA 42 28.940 45.690 15.770 1.00 0.00 N +ATOM 640 H ALA 42 29.690 45.320 16.340 1.00 0.00 H +ATOM 641 CA ALA 42 27.600 45.300 16.140 1.00 0.00 C +ATOM 642 HA ALA 42 27.150 44.770 15.310 1.00 0.00 H +ATOM 643 CB ALA 42 27.820 44.280 17.300 1.00 0.00 C +ATOM 644 HB1 ALA 42 28.480 43.470 16.970 1.00 0.00 H +ATOM 645 HB2 ALA 42 27.990 44.630 18.320 1.00 0.00 H +ATOM 646 HB3 ALA 42 26.900 43.720 17.470 1.00 0.00 H +ATOM 647 C ALA 42 26.690 46.510 16.540 1.00 0.00 C +ATOM 648 O ALA 42 27.110 47.520 17.160 1.00 0.00 O +ATOM 649 N THR 43 25.420 46.360 16.180 1.00 0.00 N +ATOM 650 H THR 43 25.210 45.520 15.660 1.00 0.00 H +ATOM 651 CA THR 43 24.400 47.300 16.440 1.00 0.00 C +ATOM 652 HA THR 43 24.850 47.940 17.190 1.00 0.00 H +ATOM 653 CB THR 43 24.260 48.140 15.220 1.00 0.00 C +ATOM 654 HB THR 43 23.300 48.650 15.310 1.00 0.00 H +ATOM 655 CG2 THR 43 25.350 49.160 14.970 1.00 0.00 C +ATOM 656 HG21 THR 43 26.280 48.710 14.610 1.00 0.00 H +ATOM 657 HG22 THR 43 24.970 49.830 14.200 1.00 0.00 H +ATOM 658 HG23 THR 43 25.550 49.860 15.780 1.00 0.00 H +ATOM 659 OG1 THR 43 24.260 47.260 14.060 1.00 0.00 O +ATOM 660 HG1 THR 43 23.770 47.780 13.410 1.00 0.00 H +ATOM 661 C THR 43 23.130 46.610 16.970 1.00 0.00 C +ATOM 662 O THR 43 22.790 45.430 16.630 1.00 0.00 O +ATOM 663 N ASN 44 22.330 47.350 17.690 1.00 0.00 N +ATOM 664 H ASN 44 22.610 48.290 17.950 1.00 0.00 H +ATOM 665 CA ASN 44 21.050 46.820 18.170 1.00 0.00 C +ATOM 666 HA ASN 44 20.650 46.110 17.460 1.00 0.00 H +ATOM 667 CB ASN 44 21.270 46.070 19.520 1.00 0.00 C +ATOM 668 HB1 ASN 44 21.740 46.790 20.190 1.00 0.00 H +ATOM 669 HB2 ASN 44 21.820 45.130 19.460 1.00 0.00 H +ATOM 670 CG ASN 44 20.030 45.650 20.250 1.00 0.00 C +ATOM 671 OD1 ASN 44 19.520 44.540 20.140 1.00 0.00 O +ATOM 672 ND2 ASN 44 19.480 46.570 21.020 1.00 0.00 N +ATOM 673 HD21 ASN 44 20.100 47.230 21.460 1.00 0.00 H +ATOM 674 HD22 ASN 44 18.610 46.280 21.420 1.00 0.00 H +ATOM 675 C ASN 44 20.030 47.890 18.270 1.00 0.00 C +ATOM 676 O ASN 44 20.230 48.860 18.970 1.00 0.00 O +ATOM 677 N ARG 45 18.870 47.830 17.630 1.00 0.00 N +ATOM 678 H ARG 45 18.670 47.060 17.000 1.00 0.00 H +ATOM 679 CA ARG 45 17.750 48.840 17.820 1.00 0.00 C +ATOM 680 HA ARG 45 18.220 49.820 17.900 1.00 0.00 H +ATOM 681 CB ARG 45 16.790 48.750 16.610 1.00 0.00 C +ATOM 682 HB1 ARG 45 16.320 47.770 16.570 1.00 0.00 H +ATOM 683 HB2 ARG 45 17.280 48.930 15.650 1.00 0.00 H +ATOM 684 CG ARG 45 15.600 49.670 16.530 1.00 0.00 C +ATOM 685 HG1 ARG 45 14.970 49.370 17.380 1.00 0.00 H +ATOM 686 HG2 ARG 45 14.970 49.420 15.680 1.00 0.00 H +ATOM 687 CD ARG 45 15.920 51.130 16.510 1.00 0.00 C +ATOM 688 HD1 ARG 45 16.480 51.410 17.400 1.00 0.00 H +ATOM 689 HD2 ARG 45 15.000 51.720 16.570 1.00 0.00 H +ATOM 690 NE ARG 45 16.740 51.420 15.260 1.00 0.00 N +ATOM 691 HE ARG 45 17.680 51.710 15.460 1.00 0.00 H +ATOM 692 CZ ARG 45 16.230 51.550 14.020 1.00 0.00 C +ATOM 693 NH1 ARG 45 14.970 51.320 13.620 1.00 0.00 N +ATOM 694 HH11 ARG 45 14.370 50.900 14.310 1.00 0.00 H +ATOM 695 HH12 ARG 45 14.720 51.560 12.680 1.00 0.00 H +ATOM 696 NH2 ARG 45 17.050 52.110 13.160 1.00 0.00 N +ATOM 697 HH21 ARG 45 17.980 52.380 13.410 1.00 0.00 H +ATOM 698 HH22 ARG 45 16.650 52.380 12.270 1.00 0.00 H +ATOM 699 C ARG 45 16.880 48.490 19.140 1.00 0.00 C +ATOM 700 O ARG 45 16.750 47.350 19.540 1.00 0.00 O +ATOM 701 N ASN 46 16.210 49.550 19.620 1.00 0.00 N +ATOM 702 H ASN 46 16.370 50.460 19.230 1.00 0.00 H +ATOM 703 CA ASN 46 15.260 49.510 20.740 1.00 0.00 C +ATOM 704 HA ASN 46 15.010 48.510 21.080 1.00 0.00 H +ATOM 705 CB ASN 46 15.880 50.390 21.810 1.00 0.00 C +ATOM 706 HB1 ASN 46 15.200 50.480 22.650 1.00 0.00 H +ATOM 707 HB2 ASN 46 16.040 51.340 21.280 1.00 0.00 H +ATOM 708 CG ASN 46 17.150 49.760 22.390 1.00 0.00 C +ATOM 709 OD1 ASN 46 17.070 48.910 23.300 1.00 0.00 O +ATOM 710 ND2 ASN 46 18.260 50.310 21.860 1.00 0.00 N +ATOM 711 HD21 ASN 46 18.070 50.770 20.980 1.00 0.00 H +ATOM 712 HD22 ASN 46 19.190 49.980 22.070 1.00 0.00 H +ATOM 713 C ASN 46 13.890 50.020 20.380 1.00 0.00 C +ATOM 714 O ASN 46 13.840 50.820 19.440 1.00 0.00 O +ATOM 715 N THR 47 12.820 49.590 21.130 1.00 0.00 N +ATOM 716 H THR 47 13.060 48.920 21.850 1.00 0.00 H +ATOM 717 CA THR 47 11.400 50.040 21.070 1.00 0.00 C +ATOM 718 HA THR 47 10.930 49.630 20.170 1.00 0.00 H +ATOM 719 CB THR 47 10.560 49.510 22.260 1.00 0.00 C +ATOM 720 HB THR 47 11.040 49.970 23.120 1.00 0.00 H +ATOM 721 CG2 THR 47 9.070 49.810 22.130 1.00 0.00 C +ATOM 722 HG21 THR 47 8.860 50.880 22.100 1.00 0.00 H +ATOM 723 HG22 THR 47 8.670 49.420 21.190 1.00 0.00 H +ATOM 724 HG23 THR 47 8.510 49.480 23.000 1.00 0.00 H +ATOM 725 OG1 THR 47 10.580 48.110 22.400 1.00 0.00 O +ATOM 726 HG1 THR 47 10.420 47.940 23.330 1.00 0.00 H +ATOM 727 C THR 47 11.220 51.520 20.890 1.00 0.00 C +ATOM 728 O THR 47 10.290 51.960 20.240 1.00 0.00 O +ATOM 729 N ASP 48 11.990 52.410 21.520 1.00 0.00 N +ATOM 730 H ASP 48 12.730 52.060 22.120 1.00 0.00 H +ATOM 731 CA ASP 48 11.960 53.890 21.510 1.00 0.00 C +ATOM 732 HA ASP 48 10.930 54.240 21.420 1.00 0.00 H +ATOM 733 CB ASP 48 12.710 54.400 22.750 1.00 0.00 C +ATOM 734 HB1 ASP 48 12.170 54.000 23.610 1.00 0.00 H +ATOM 735 HB2 ASP 48 12.500 55.470 22.830 1.00 0.00 H +ATOM 736 CG ASP 48 14.190 54.150 22.750 1.00 0.00 C +ATOM 737 OD1 ASP 48 14.920 54.970 22.140 1.00 0.00 O +ATOM 738 OD2 ASP 48 14.510 53.070 23.300 1.00 0.00 O +ATOM 739 C ASP 48 12.490 54.590 20.250 1.00 0.00 C +ATOM 740 O ASP 48 12.260 55.770 19.890 1.00 0.00 O +ATOM 741 N GLY 49 13.280 53.730 19.560 1.00 0.00 N +ATOM 742 H GLY 49 13.570 52.810 19.870 1.00 0.00 H +ATOM 743 CA GLY 49 13.940 54.050 18.290 1.00 0.00 C +ATOM 744 HA1 GLY 49 13.420 54.930 17.910 1.00 0.00 H +ATOM 745 HA2 GLY 49 13.750 53.210 17.620 1.00 0.00 H +ATOM 746 C GLY 49 15.450 54.320 18.340 1.00 0.00 C +ATOM 747 O GLY 49 16.030 54.320 17.280 1.00 0.00 O +ATOM 748 N SER 50 16.120 54.490 19.520 1.00 0.00 N +ATOM 749 H SER 50 15.610 54.390 20.390 1.00 0.00 H +ATOM 750 CA SER 50 17.550 54.510 19.500 1.00 0.00 C +ATOM 751 HA SER 50 17.840 55.190 18.700 1.00 0.00 H +ATOM 752 CB SER 50 17.990 55.160 20.800 1.00 0.00 C +ATOM 753 HB1 SER 50 17.550 56.150 20.750 1.00 0.00 H +ATOM 754 HB2 SER 50 19.080 55.180 20.900 1.00 0.00 H +ATOM 755 OG SER 50 17.430 54.520 21.930 1.00 0.00 O +ATOM 756 HG SER 50 16.480 54.550 22.020 1.00 0.00 H +ATOM 757 C SER 50 18.220 53.180 19.290 1.00 0.00 C +ATOM 758 O SER 50 17.640 52.130 19.600 1.00 0.00 O +ATOM 759 N THR 51 19.430 53.260 18.680 1.00 0.00 N +ATOM 760 H THR 51 19.800 54.200 18.590 1.00 0.00 H +ATOM 761 CA THR 51 20.340 52.230 18.390 1.00 0.00 C +ATOM 762 HA THR 51 19.850 51.280 18.600 1.00 0.00 H +ATOM 763 CB THR 51 20.770 52.240 16.900 1.00 0.00 C +ATOM 764 HB THR 51 21.390 53.110 16.670 1.00 0.00 H +ATOM 765 CG2 THR 51 21.440 50.910 16.520 1.00 0.00 C +ATOM 766 HG21 THR 51 22.270 50.740 17.210 1.00 0.00 H +ATOM 767 HG22 THR 51 20.800 50.040 16.560 1.00 0.00 H +ATOM 768 HG23 THR 51 21.790 51.000 15.500 1.00 0.00 H +ATOM 769 OG1 THR 51 19.600 52.330 16.130 1.00 0.00 O +ATOM 770 HG1 THR 51 19.360 53.240 16.310 1.00 0.00 H +ATOM 771 C THR 51 21.540 52.210 19.370 1.00 0.00 C +ATOM 772 O THR 51 22.120 53.210 19.720 1.00 0.00 O +ATOM 773 N ASP 52 21.950 51.000 19.760 1.00 0.00 N +ATOM 774 H ASP 52 21.470 50.160 19.460 1.00 0.00 H +ATOM 775 CA ASP 52 23.210 50.720 20.540 1.00 0.00 C +ATOM 776 HA ASP 52 23.460 51.650 21.050 1.00 0.00 H +ATOM 777 CB ASP 52 23.000 49.650 21.540 1.00 0.00 C +ATOM 778 HB1 ASP 52 23.810 49.660 22.270 1.00 0.00 H +ATOM 779 HB2 ASP 52 22.940 48.710 20.990 1.00 0.00 H +ATOM 780 CG ASP 52 21.660 49.760 22.280 1.00 0.00 C +ATOM 781 OD1 ASP 52 21.240 50.900 22.670 1.00 0.00 O +ATOM 782 OD2 ASP 52 21.000 48.760 22.590 1.00 0.00 O +ATOM 783 C ASP 52 24.390 50.420 19.610 1.00 0.00 C +ATOM 784 O ASP 52 24.230 49.680 18.640 1.00 0.00 O +ATOM 785 N TYR 53 25.570 50.990 19.810 1.00 0.00 N +ATOM 786 H TYR 53 25.660 51.560 20.640 1.00 0.00 H +ATOM 787 CA TYR 53 26.790 50.860 18.910 1.00 0.00 C +ATOM 788 HA TYR 53 26.650 50.150 18.090 1.00 0.00 H +ATOM 789 CB TYR 53 27.060 52.160 18.220 1.00 0.00 C +ATOM 790 HB1 TYR 53 27.940 52.070 17.580 1.00 0.00 H +ATOM 791 HB2 TYR 53 27.330 52.880 18.980 1.00 0.00 H +ATOM 792 CG TYR 53 25.930 52.670 17.320 1.00 0.00 C +ATOM 793 CD1 TYR 53 25.960 52.470 15.930 1.00 0.00 C +ATOM 794 HD1 TYR 53 26.670 51.890 15.360 1.00 0.00 H +ATOM 795 CE1 TYR 53 24.930 53.080 15.120 1.00 0.00 C +ATOM 796 HE1 TYR 53 24.810 52.990 14.050 1.00 0.00 H +ATOM 797 CZ TYR 53 23.920 53.820 15.820 1.00 0.00 C +ATOM 798 OH TYR 53 23.080 54.560 15.100 1.00 0.00 O +ATOM 799 HH TYR 53 22.500 55.140 15.600 1.00 0.00 H +ATOM 800 CE2 TYR 53 23.890 53.860 17.200 1.00 0.00 C +ATOM 801 HE2 TYR 53 23.010 54.320 17.630 1.00 0.00 H +ATOM 802 CD2 TYR 53 24.900 53.280 17.930 1.00 0.00 C +ATOM 803 HD2 TYR 53 24.840 53.330 19.010 1.00 0.00 H +ATOM 804 C TYR 53 28.130 50.290 19.560 1.00 0.00 C +ATOM 805 O TYR 53 28.460 50.720 20.650 1.00 0.00 O +ATOM 806 N GLY 54 28.750 49.360 18.970 1.00 0.00 N +ATOM 807 H GLY 54 28.280 48.820 18.260 1.00 0.00 H +ATOM 808 CA GLY 54 30.060 48.950 19.420 1.00 0.00 C +ATOM 809 HA1 GLY 54 30.490 49.640 20.150 1.00 0.00 H +ATOM 810 HA2 GLY 54 30.690 49.020 18.540 1.00 0.00 H +ATOM 811 C GLY 54 30.160 47.570 20.010 1.00 0.00 C +ATOM 812 O GLY 54 29.140 47.000 20.400 1.00 0.00 O +ATOM 813 N ILE 55 31.360 47.090 20.340 1.00 0.00 N +ATOM 814 H ILE 55 32.200 47.590 20.090 1.00 0.00 H +ATOM 815 CA ILE 55 31.510 45.890 21.260 1.00 0.00 C +ATOM 816 HA ILE 55 30.980 45.110 20.720 1.00 0.00 H +ATOM 817 CB ILE 55 32.990 45.430 21.200 1.00 0.00 C +ATOM 818 HB ILE 55 33.410 45.730 20.240 1.00 0.00 H +ATOM 819 CG2 ILE 55 33.870 45.880 22.370 1.00 0.00 C +ATOM 820 HG21 ILE 55 34.910 45.550 22.300 1.00 0.00 H +ATOM 821 HG22 ILE 55 33.870 46.970 22.460 1.00 0.00 H +ATOM 822 HG23 ILE 55 33.470 45.480 23.300 1.00 0.00 H +ATOM 823 CG1 ILE 55 33.080 43.920 21.070 1.00 0.00 C +ATOM 824 HG11 ILE 55 32.370 43.630 20.300 1.00 0.00 H +ATOM 825 HG12 ILE 55 32.690 43.450 21.970 1.00 0.00 H +ATOM 826 CD ILE 55 34.480 43.310 20.780 1.00 0.00 C +ATOM 827 HD1 ILE 55 35.260 43.740 21.410 1.00 0.00 H +ATOM 828 HD2 ILE 55 34.550 42.250 21.030 1.00 0.00 H +ATOM 829 HD3 ILE 55 34.750 43.340 19.720 1.00 0.00 H +ATOM 830 C ILE 55 30.870 45.940 22.680 1.00 0.00 C +ATOM 831 O ILE 55 30.630 44.870 23.400 1.00 0.00 O +ATOM 832 N LEU 56 30.550 47.170 23.150 1.00 0.00 N +ATOM 833 H LEU 56 30.910 47.960 22.640 1.00 0.00 H +ATOM 834 CA LEU 56 30.050 47.570 24.550 1.00 0.00 C +ATOM 835 HA LEU 56 30.040 46.590 25.040 1.00 0.00 H +ATOM 836 CB LEU 56 31.050 48.500 25.190 1.00 0.00 C +ATOM 837 HB1 LEU 56 30.580 48.830 26.120 1.00 0.00 H +ATOM 838 HB2 LEU 56 31.300 49.310 24.510 1.00 0.00 H +ATOM 839 CG LEU 56 32.260 47.640 25.620 1.00 0.00 C +ATOM 840 HG LEU 56 32.440 46.740 25.030 1.00 0.00 H +ATOM 841 CD1 LEU 56 33.520 48.540 25.520 1.00 0.00 C +ATOM 842 HD11 LEU 56 34.420 47.950 25.730 1.00 0.00 H +ATOM 843 HD12 LEU 56 33.610 48.860 24.490 1.00 0.00 H +ATOM 844 HD13 LEU 56 33.310 49.390 26.170 1.00 0.00 H +ATOM 845 CD2 LEU 56 32.150 46.990 27.030 1.00 0.00 C +ATOM 846 HD21 LEU 56 31.230 46.420 26.940 1.00 0.00 H +ATOM 847 HD22 LEU 56 33.030 46.380 27.250 1.00 0.00 H +ATOM 848 HD23 LEU 56 32.010 47.690 27.850 1.00 0.00 H +ATOM 849 C LEU 56 28.570 48.070 24.570 1.00 0.00 C +ATOM 850 O LEU 56 28.100 48.480 25.590 1.00 0.00 O +ATOM 851 N GLN 57 27.870 47.990 23.400 1.00 0.00 N +ATOM 852 H GLN 57 28.420 47.680 22.610 1.00 0.00 H +ATOM 853 CA GLN 57 26.480 48.400 23.060 1.00 0.00 C +ATOM 854 HA GLN 57 26.500 48.700 22.010 1.00 0.00 H +ATOM 855 CB GLN 57 25.460 47.180 23.290 1.00 0.00 C +ATOM 856 HB1 GLN 57 24.430 47.450 23.050 1.00 0.00 H +ATOM 857 HB2 GLN 57 25.470 46.930 24.350 1.00 0.00 H +ATOM 858 CG GLN 57 25.790 46.000 22.370 1.00 0.00 C +ATOM 859 HG1 GLN 57 25.230 45.160 22.780 1.00 0.00 H +ATOM 860 HG2 GLN 57 26.830 45.710 22.500 1.00 0.00 H +ATOM 861 CD GLN 57 25.390 46.260 20.900 1.00 0.00 C +ATOM 862 OE1 GLN 57 24.320 46.000 20.470 1.00 0.00 O +ATOM 863 NE2 GLN 57 26.280 46.830 20.140 1.00 0.00 N +ATOM 864 HE21 GLN 57 27.190 47.120 20.480 1.00 0.00 H +ATOM 865 HE22 GLN 57 26.070 47.140 19.200 1.00 0.00 H +ATOM 866 C GLN 57 25.980 49.710 23.810 1.00 0.00 C +ATOM 867 O GLN 57 25.300 49.690 24.830 1.00 0.00 O +ATOM 868 N ILE 58 26.420 50.810 23.240 1.00 0.00 N +ATOM 869 H ILE 58 27.000 50.750 22.420 1.00 0.00 H +ATOM 870 CA ILE 58 26.330 52.140 23.850 1.00 0.00 C +ATOM 871 HA ILE 58 26.000 51.900 24.860 1.00 0.00 H +ATOM 872 CB ILE 58 27.750 52.760 23.880 1.00 0.00 C +ATOM 873 HB ILE 58 28.080 52.800 22.850 1.00 0.00 H +ATOM 874 CG2 ILE 58 27.660 54.220 24.370 1.00 0.00 C +ATOM 875 HG21 ILE 58 28.650 54.680 24.320 1.00 0.00 H +ATOM 876 HG22 ILE 58 26.990 54.780 23.720 1.00 0.00 H +ATOM 877 HG23 ILE 58 27.320 54.280 25.410 1.00 0.00 H +ATOM 878 CG1 ILE 58 28.710 51.870 24.720 1.00 0.00 C +ATOM 879 HG11 ILE 58 28.820 50.920 24.190 1.00 0.00 H +ATOM 880 HG12 ILE 58 28.190 51.630 25.650 1.00 0.00 H +ATOM 881 CD ILE 58 30.080 52.400 25.030 1.00 0.00 C +ATOM 882 HD1 ILE 58 30.630 52.420 24.090 1.00 0.00 H +ATOM 883 HD2 ILE 58 30.010 53.420 25.410 1.00 0.00 H +ATOM 884 HD3 ILE 58 30.710 51.880 25.750 1.00 0.00 H +ATOM 885 C ILE 58 25.300 52.960 23.110 1.00 0.00 C +ATOM 886 O ILE 58 25.280 53.000 21.910 1.00 0.00 O +ATOM 887 N ASN 59 24.220 53.380 23.770 1.00 0.00 N +ATOM 888 H ASN 59 24.210 53.100 24.740 1.00 0.00 H +ATOM 889 CA ASN 59 22.940 53.800 23.210 1.00 0.00 C +ATOM 890 HA ASN 59 22.710 53.140 22.370 1.00 0.00 H +ATOM 891 CB ASN 59 21.850 53.540 24.250 1.00 0.00 C +ATOM 892 HB1 ASN 59 22.180 54.020 25.170 1.00 0.00 H +ATOM 893 HB2 ASN 59 21.870 52.470 24.490 1.00 0.00 H +ATOM 894 CG ASN 59 20.530 54.100 23.760 1.00 0.00 C +ATOM 895 OD1 ASN 59 20.250 55.280 23.930 1.00 0.00 O +ATOM 896 ND2 ASN 59 19.740 53.320 23.150 1.00 0.00 N +ATOM 897 HD21 ASN 59 20.050 52.360 23.050 1.00 0.00 H +ATOM 898 HD22 ASN 59 18.870 53.720 22.810 1.00 0.00 H +ATOM 899 C ASN 59 23.010 55.300 22.770 1.00 0.00 C +ATOM 900 O ASN 59 23.470 56.170 23.520 1.00 0.00 O +ATOM 901 N SER 60 22.470 55.580 21.600 1.00 0.00 N +ATOM 902 H SER 60 22.110 54.810 21.070 1.00 0.00 H +ATOM 903 CA SER 60 22.660 56.950 20.970 1.00 0.00 C +ATOM 904 HA SER 60 23.680 57.270 21.160 1.00 0.00 H +ATOM 905 CB SER 60 22.610 56.920 19.460 1.00 0.00 C +ATOM 906 HB1 SER 60 23.470 56.330 19.150 1.00 0.00 H +ATOM 907 HB2 SER 60 22.620 57.880 18.930 1.00 0.00 H +ATOM 908 OG SER 60 21.460 56.150 19.040 1.00 0.00 O +ATOM 909 HG SER 60 21.510 56.250 18.090 1.00 0.00 H +ATOM 910 C SER 60 21.600 57.950 21.490 1.00 0.00 C +ATOM 911 O SER 60 21.630 59.100 21.010 1.00 0.00 O +ATOM 912 N ARG 61 20.570 57.550 22.310 1.00 0.00 N +ATOM 913 H ARG 61 20.580 56.590 22.640 1.00 0.00 H +ATOM 914 CA ARG 61 19.660 58.540 22.980 1.00 0.00 C +ATOM 915 HA ARG 61 19.620 59.440 22.350 1.00 0.00 H +ATOM 916 CB ARG 61 18.220 57.970 23.080 1.00 0.00 C +ATOM 917 HB1 ARG 61 18.220 57.100 23.740 1.00 0.00 H +ATOM 918 HB2 ARG 61 18.000 57.710 22.050 1.00 0.00 H +ATOM 919 CG ARG 61 17.130 58.880 23.580 1.00 0.00 C +ATOM 920 HG1 ARG 61 17.350 59.910 23.300 1.00 0.00 H +ATOM 921 HG2 ARG 61 17.230 58.900 24.670 1.00 0.00 H +ATOM 922 CD ARG 61 15.690 58.520 23.130 1.00 0.00 C +ATOM 923 HD1 ARG 61 14.930 58.890 23.810 1.00 0.00 H +ATOM 924 HD2 ARG 61 15.610 57.440 22.990 1.00 0.00 H +ATOM 925 NE ARG 61 15.450 59.200 21.890 1.00 0.00 N +ATOM 926 HE ARG 61 15.710 60.170 21.900 1.00 0.00 H +ATOM 927 CZ ARG 61 14.770 58.770 20.840 1.00 0.00 C +ATOM 928 NH1 ARG 61 14.290 57.550 20.760 1.00 0.00 N +ATOM 929 HH11 ARG 61 14.700 56.840 21.350 1.00 0.00 H +ATOM 930 HH12 ARG 61 13.660 57.270 20.020 1.00 0.00 H +ATOM 931 NH2 ARG 61 14.580 59.630 19.910 1.00 0.00 N +ATOM 932 HH21 ARG 61 14.890 60.590 19.990 1.00 0.00 H +ATOM 933 HH22 ARG 61 14.010 59.330 19.130 1.00 0.00 H +ATOM 934 C ARG 61 20.210 58.970 24.340 1.00 0.00 C +ATOM 935 O ARG 61 19.890 60.030 24.820 1.00 0.00 O +ATOM 936 N TRP 62 21.110 58.120 24.980 1.00 0.00 N +ATOM 937 H TRP 62 21.320 57.250 24.510 1.00 0.00 H +ATOM 938 CA TRP 62 21.510 58.320 26.360 1.00 0.00 C +ATOM 939 HA TRP 62 21.090 59.270 26.690 1.00 0.00 H +ATOM 940 CB TRP 62 21.150 57.110 27.280 1.00 0.00 C +ATOM 941 HB1 TRP 62 21.750 57.240 28.180 1.00 0.00 H +ATOM 942 HB2 TRP 62 21.520 56.230 26.770 1.00 0.00 H +ATOM 943 CG TRP 62 19.670 56.890 27.580 1.00 0.00 C +ATOM 944 CD1 TRP 62 18.880 55.850 27.110 1.00 0.00 C +ATOM 945 HD1 TRP 62 19.260 55.180 26.350 1.00 0.00 H +ATOM 946 NE1 TRP 62 17.560 56.080 27.470 1.00 0.00 N +ATOM 947 HE1 TRP 62 16.760 55.630 27.050 1.00 0.00 H +ATOM 948 CE2 TRP 62 17.490 57.280 28.190 1.00 0.00 C +ATOM 949 CZ2 TRP 62 16.360 57.970 28.820 1.00 0.00 C +ATOM 950 HZ2 TRP 62 15.380 57.530 28.710 1.00 0.00 H +ATOM 951 CH2 TRP 62 16.590 59.050 29.670 1.00 0.00 C +ATOM 952 HH2 TRP 62 15.800 59.640 30.120 1.00 0.00 H +ATOM 953 CZ3 TRP 62 17.910 59.520 29.930 1.00 0.00 C +ATOM 954 HZ3 TRP 62 18.120 60.360 30.560 1.00 0.00 H +ATOM 955 CE3 TRP 62 18.960 58.840 29.260 1.00 0.00 C +ATOM 956 HE3 TRP 62 19.970 59.150 29.510 1.00 0.00 H +ATOM 957 CD2 TRP 62 18.790 57.760 28.360 1.00 0.00 C +ATOM 958 C TRP 62 22.960 58.640 26.490 1.00 0.00 C +ATOM 959 O TRP 62 23.320 59.580 27.120 1.00 0.00 O +ATOM 960 N TRP 63 23.840 57.880 25.850 1.00 0.00 N +ATOM 961 H TRP 63 23.470 57.170 25.230 1.00 0.00 H +ATOM 962 CA TRP 63 25.300 57.940 26.100 1.00 0.00 C +ATOM 963 HA TRP 63 25.550 58.460 27.030 1.00 0.00 H +ATOM 964 CB TRP 63 25.820 56.530 26.420 1.00 0.00 C +ATOM 965 HB1 TRP 63 26.880 56.730 26.600 1.00 0.00 H +ATOM 966 HB2 TRP 63 25.640 56.020 25.480 1.00 0.00 H +ATOM 967 CG TRP 63 25.130 55.960 27.600 1.00 0.00 C +ATOM 968 CD1 TRP 63 24.260 54.940 27.520 1.00 0.00 C +ATOM 969 HD1 TRP 63 23.960 54.520 26.570 1.00 0.00 H +ATOM 970 NE1 TRP 63 23.690 54.770 28.770 1.00 0.00 N +ATOM 971 HE1 TRP 63 22.910 54.140 28.870 1.00 0.00 H +ATOM 972 CE2 TRP 63 24.220 55.670 29.660 1.00 0.00 C +ATOM 973 CZ2 TRP 63 23.790 56.070 30.950 1.00 0.00 C +ATOM 974 HZ2 TRP 63 22.970 55.640 31.490 1.00 0.00 H +ATOM 975 CH2 TRP 63 24.510 57.080 31.640 1.00 0.00 C +ATOM 976 HH2 TRP 63 24.160 57.330 32.630 1.00 0.00 H +ATOM 977 CZ3 TRP 63 25.620 57.700 31.010 1.00 0.00 C +ATOM 978 HZ3 TRP 63 26.250 58.410 31.530 1.00 0.00 H +ATOM 979 CE3 TRP 63 25.980 57.370 29.680 1.00 0.00 C +ATOM 980 HE3 TRP 63 26.790 57.840 29.140 1.00 0.00 H +ATOM 981 CD2 TRP 63 25.160 56.410 28.990 1.00 0.00 C +ATOM 982 C TRP 63 26.140 58.550 24.970 1.00 0.00 C +ATOM 983 O TRP 63 27.010 59.280 25.230 1.00 0.00 O +ATOM 984 N CYS 64 25.860 58.280 23.680 1.00 0.00 N +ATOM 985 H CYS 64 25.000 57.780 23.490 1.00 0.00 H +ATOM 986 CA CYS 64 26.450 58.990 22.580 1.00 0.00 C +ATOM 987 HA CYS 64 27.140 59.800 22.810 1.00 0.00 H +ATOM 988 CB CYS 64 27.240 57.890 21.790 1.00 0.00 C +ATOM 989 HB1 CYS 64 28.130 57.670 22.380 1.00 0.00 H +ATOM 990 HB2 CYS 64 27.750 58.430 20.980 1.00 0.00 H +ATOM 991 SG CYS 64 26.550 56.470 21.100 1.00 0.00 S +ATOM 992 C CYS 64 25.440 59.730 21.650 1.00 0.00 C +ATOM 993 O CYS 64 24.260 59.710 21.880 1.00 0.00 O +ATOM 994 N ASN 65 25.950 60.390 20.620 1.00 0.00 N +ATOM 995 H ASN 65 26.920 60.620 20.750 1.00 0.00 H +ATOM 996 CA ASN 65 25.240 61.000 19.460 1.00 0.00 C +ATOM 997 HA ASN 65 24.160 61.080 19.600 1.00 0.00 H +ATOM 998 CB ASN 65 25.760 62.460 19.320 1.00 0.00 C +ATOM 999 HB1 ASN 65 26.630 62.610 18.680 1.00 0.00 H +ATOM 1000 HB2 ASN 65 26.120 62.880 20.260 1.00 0.00 H +ATOM 1001 CG ASN 65 24.690 63.460 18.770 1.00 0.00 C +ATOM 1002 OD1 ASN 65 24.340 63.440 17.560 1.00 0.00 O +ATOM 1003 ND2 ASN 65 24.240 64.430 19.450 1.00 0.00 N +ATOM 1004 HD21 ASN 65 24.660 64.650 20.340 1.00 0.00 H +ATOM 1005 HD22 ASN 65 23.620 65.060 18.960 1.00 0.00 H +ATOM 1006 C ASN 65 25.420 60.240 18.140 1.00 0.00 C +ATOM 1007 O ASN 65 26.600 59.940 17.890 1.00 0.00 O +ATOM 1008 N ASP 66 24.400 59.930 17.400 1.00 0.00 N +ATOM 1009 H ASP 66 23.530 60.420 17.520 1.00 0.00 H +ATOM 1010 CA ASP 66 24.470 59.180 16.120 1.00 0.00 C +ATOM 1011 HA ASP 66 25.550 59.210 15.970 1.00 0.00 H +ATOM 1012 CB ASP 66 23.800 57.810 16.220 1.00 0.00 C +ATOM 1013 HB1 ASP 66 24.260 57.240 17.030 1.00 0.00 H +ATOM 1014 HB2 ASP 66 24.020 57.230 15.320 1.00 0.00 H +ATOM 1015 CG ASP 66 22.260 57.710 16.360 1.00 0.00 C +ATOM 1016 OD1 ASP 66 21.580 58.720 16.520 1.00 0.00 O +ATOM 1017 OD2 ASP 66 21.650 56.610 16.410 1.00 0.00 O +ATOM 1018 C ASP 66 23.830 59.970 14.960 1.00 0.00 C +ATOM 1019 O ASP 66 23.640 59.480 13.870 1.00 0.00 O +ATOM 1020 N GLY 67 23.520 61.280 15.250 1.00 0.00 N +ATOM 1021 H GLY 67 23.630 61.560 16.220 1.00 0.00 H +ATOM 1022 CA GLY 67 22.810 62.250 14.410 1.00 0.00 C +ATOM 1023 HA1 GLY 67 23.430 62.610 13.590 1.00 0.00 H +ATOM 1024 HA2 GLY 67 22.710 63.110 15.060 1.00 0.00 H +ATOM 1025 C GLY 67 21.480 61.910 13.780 1.00 0.00 C +ATOM 1026 O GLY 67 20.670 62.770 13.530 1.00 0.00 O +ATOM 1027 N ARG 68 21.150 60.610 13.760 1.00 0.00 N +ATOM 1028 H ARG 68 21.880 59.980 14.040 1.00 0.00 H +ATOM 1029 CA ARG 68 19.840 60.100 13.210 1.00 0.00 C +ATOM 1030 HA ARG 68 19.570 60.810 12.420 1.00 0.00 H +ATOM 1031 CB ARG 68 19.970 58.730 12.480 1.00 0.00 C +ATOM 1032 HB1 ARG 68 20.930 58.720 11.970 1.00 0.00 H +ATOM 1033 HB2 ARG 68 19.150 58.580 11.780 1.00 0.00 H +ATOM 1034 CG ARG 68 19.960 57.530 13.420 1.00 0.00 C +ATOM 1035 HG1 ARG 68 19.120 57.440 14.110 1.00 0.00 H +ATOM 1036 HG2 ARG 68 20.870 57.600 14.020 1.00 0.00 H +ATOM 1037 CD ARG 68 19.960 56.180 12.590 1.00 0.00 C +ATOM 1038 HD1 ARG 68 20.280 55.330 13.190 1.00 0.00 H +ATOM 1039 HD2 ARG 68 20.630 56.260 11.740 1.00 0.00 H +ATOM 1040 NE ARG 68 18.630 55.910 12.090 1.00 0.00 N +ATOM 1041 HE ARG 68 17.900 56.540 12.390 1.00 0.00 H +ATOM 1042 CZ ARG 68 18.190 54.890 11.390 1.00 0.00 C +ATOM 1043 NH1 ARG 68 18.860 53.910 10.940 1.00 0.00 N +ATOM 1044 HH11 ARG 68 19.860 54.030 10.900 1.00 0.00 H +ATOM 1045 HH12 ARG 68 18.430 53.250 10.310 1.00 0.00 H +ATOM 1046 NH2 ARG 68 16.900 54.920 11.260 1.00 0.00 N +ATOM 1047 HH21 ARG 68 16.400 55.720 11.630 1.00 0.00 H +ATOM 1048 HH22 ARG 68 16.500 54.140 10.770 1.00 0.00 H +ATOM 1049 C ARG 68 18.740 60.000 14.300 1.00 0.00 C +ATOM 1050 O ARG 68 17.580 59.970 13.990 1.00 0.00 O +ATOM 1051 N THR 69 19.030 59.960 15.640 1.00 0.00 N +ATOM 1052 H THR 69 20.020 60.000 15.850 1.00 0.00 H +ATOM 1053 CA THR 69 18.120 59.820 16.750 1.00 0.00 C +ATOM 1054 HA THR 69 17.240 59.390 16.280 1.00 0.00 H +ATOM 1055 CB THR 69 18.570 58.820 17.850 1.00 0.00 C +ATOM 1056 HB THR 69 19.380 59.280 18.420 1.00 0.00 H +ATOM 1057 CG2 THR 69 17.310 58.440 18.720 1.00 0.00 C +ATOM 1058 HG21 THR 69 16.470 58.340 18.020 1.00 0.00 H +ATOM 1059 HG22 THR 69 17.550 57.470 19.160 1.00 0.00 H +ATOM 1060 HG23 THR 69 17.190 59.230 19.460 1.00 0.00 H +ATOM 1061 OG1 THR 69 19.100 57.650 17.260 1.00 0.00 O +ATOM 1062 HG1 THR 69 20.020 57.820 17.040 1.00 0.00 H +ATOM 1063 C THR 69 17.750 61.270 17.310 1.00 0.00 C +ATOM 1064 O THR 69 18.770 61.900 17.640 1.00 0.00 O +ATOM 1065 N PRO 70 16.480 61.750 17.450 1.00 0.00 N +ATOM 1066 CD PRO 70 15.360 61.360 16.620 1.00 0.00 C +ATOM 1067 HD1 PRO 70 14.920 60.440 17.010 1.00 0.00 H +ATOM 1068 HD2 PRO 70 15.710 61.040 15.640 1.00 0.00 H +ATOM 1069 CG PRO 70 14.400 62.520 16.530 1.00 0.00 C +ATOM 1070 HG1 PRO 70 13.360 62.200 16.490 1.00 0.00 H +ATOM 1071 HG2 PRO 70 14.670 63.150 15.680 1.00 0.00 H +ATOM 1072 CB PRO 70 14.740 63.280 17.790 1.00 0.00 C +ATOM 1073 HB1 PRO 70 14.100 62.860 18.560 1.00 0.00 H +ATOM 1074 HB2 PRO 70 14.560 64.350 17.690 1.00 0.00 H +ATOM 1075 CA PRO 70 16.220 62.960 18.090 1.00 0.00 C +ATOM 1076 HA PRO 70 16.770 63.710 17.530 1.00 0.00 H +ATOM 1077 C PRO 70 16.560 62.990 19.620 1.00 0.00 C +ATOM 1078 O PRO 70 16.530 61.890 20.220 1.00 0.00 O +ATOM 1079 N GLY 71 16.810 64.170 20.220 1.00 0.00 N +ATOM 1080 H GLY 71 16.860 65.050 19.710 1.00 0.00 H +ATOM 1081 CA GLY 71 16.730 64.260 21.680 1.00 0.00 C +ATOM 1082 HA1 GLY 71 15.750 64.080 22.130 1.00 0.00 H +ATOM 1083 HA2 GLY 71 16.830 65.320 21.930 1.00 0.00 H +ATOM 1084 C GLY 71 17.700 63.480 22.490 1.00 0.00 C +ATOM 1085 O GLY 71 17.440 63.140 23.620 1.00 0.00 O +ATOM 1086 N SER 72 18.860 63.180 21.900 1.00 0.00 N +ATOM 1087 H SER 72 19.050 63.550 20.980 1.00 0.00 H +ATOM 1088 CA SER 72 19.980 62.620 22.670 1.00 0.00 C +ATOM 1089 HA SER 72 19.540 61.690 23.030 1.00 0.00 H +ATOM 1090 CB SER 72 21.190 62.050 21.820 1.00 0.00 C +ATOM 1091 HB1 SER 72 21.770 62.890 21.430 1.00 0.00 H +ATOM 1092 HB2 SER 72 20.840 61.270 21.150 1.00 0.00 H +ATOM 1093 OG SER 72 22.050 61.270 22.730 1.00 0.00 O +ATOM 1094 HG SER 72 22.850 60.910 22.340 1.00 0.00 H +ATOM 1095 C SER 72 20.510 63.370 23.860 1.00 0.00 C +ATOM 1096 O SER 72 20.750 64.580 23.720 1.00 0.00 O +ATOM 1097 N ARG 73 20.660 62.740 25.050 1.00 0.00 N +ATOM 1098 H ARG 73 20.480 61.750 25.040 1.00 0.00 H +ATOM 1099 CA ARG 73 21.190 63.290 26.290 1.00 0.00 C +ATOM 1100 HA ARG 73 21.050 64.360 26.430 1.00 0.00 H +ATOM 1101 CB ARG 73 20.570 62.590 27.550 1.00 0.00 C +ATOM 1102 HB1 ARG 73 21.160 62.880 28.420 1.00 0.00 H +ATOM 1103 HB2 ARG 73 20.560 61.510 27.410 1.00 0.00 H +ATOM 1104 CG ARG 73 19.080 62.890 27.930 1.00 0.00 C +ATOM 1105 HG1 ARG 73 18.900 63.970 27.980 1.00 0.00 H +ATOM 1106 HG2 ARG 73 18.890 62.290 28.810 1.00 0.00 H +ATOM 1107 CD ARG 73 18.140 62.360 26.840 1.00 0.00 C +ATOM 1108 HD1 ARG 73 18.540 61.380 26.590 1.00 0.00 H +ATOM 1109 HD2 ARG 73 18.120 63.050 26.000 1.00 0.00 H +ATOM 1110 NE ARG 73 16.760 62.230 27.290 1.00 0.00 N +ATOM 1111 HE ARG 73 16.640 62.100 28.290 1.00 0.00 H +ATOM 1112 CZ ARG 73 15.730 61.810 26.540 1.00 0.00 C +ATOM 1113 NH1 ARG 73 15.640 61.790 25.280 1.00 0.00 N +ATOM 1114 HH11 ARG 73 16.290 62.310 24.700 1.00 0.00 H +ATOM 1115 HH12 ARG 73 14.880 61.310 24.820 1.00 0.00 H +ATOM 1116 NH2 ARG 73 14.740 61.180 27.050 1.00 0.00 N +ATOM 1117 HH21 ARG 73 14.700 61.140 28.060 1.00 0.00 H +ATOM 1118 HH22 ARG 73 13.990 60.840 26.460 1.00 0.00 H +ATOM 1119 C ARG 73 22.790 63.200 26.320 1.00 0.00 C +ATOM 1120 O ARG 73 23.350 63.890 27.160 1.00 0.00 O +ATOM 1121 N ASN 74 23.410 62.430 25.370 1.00 0.00 N +ATOM 1122 H ASN 74 22.760 62.010 24.710 1.00 0.00 H +ATOM 1123 CA ASN 74 24.860 62.330 25.060 1.00 0.00 C +ATOM 1124 HA ASN 74 25.000 61.380 24.540 1.00 0.00 H +ATOM 1125 CB ASN 74 25.220 63.340 24.010 1.00 0.00 C +ATOM 1126 HB1 ASN 74 25.160 64.360 24.390 1.00 0.00 H +ATOM 1127 HB2 ASN 74 24.430 63.250 23.260 1.00 0.00 H +ATOM 1128 CG ASN 74 26.580 63.080 23.310 1.00 0.00 C +ATOM 1129 OD1 ASN 74 27.250 62.100 23.590 1.00 0.00 O +ATOM 1130 ND2 ASN 74 27.090 63.920 22.470 1.00 0.00 N +ATOM 1131 HD21 ASN 74 26.610 64.770 22.200 1.00 0.00 H +ATOM 1132 HD22 ASN 74 27.990 63.670 22.090 1.00 0.00 H +ATOM 1133 C ASN 74 25.740 62.260 26.320 1.00 0.00 C +ATOM 1134 O ASN 74 26.610 63.110 26.590 1.00 0.00 O +ATOM 1135 N LEU 75 25.470 61.320 27.270 1.00 0.00 N +ATOM 1136 H LEU 75 24.650 60.760 27.110 1.00 0.00 H +ATOM 1137 CA LEU 75 25.990 61.310 28.660 1.00 0.00 C +ATOM 1138 HA LEU 75 25.990 62.340 29.030 1.00 0.00 H +ATOM 1139 CB LEU 75 25.010 60.660 29.580 1.00 0.00 C +ATOM 1140 HB1 LEU 75 25.580 60.540 30.500 1.00 0.00 H +ATOM 1141 HB2 LEU 75 24.810 59.700 29.100 1.00 0.00 H +ATOM 1142 CG LEU 75 23.730 61.470 30.010 1.00 0.00 C +ATOM 1143 HG LEU 75 23.220 61.590 29.050 1.00 0.00 H +ATOM 1144 CD1 LEU 75 22.830 60.590 30.870 1.00 0.00 C +ATOM 1145 HD11 LEU 75 21.850 61.050 30.970 1.00 0.00 H +ATOM 1146 HD12 LEU 75 22.660 59.590 30.460 1.00 0.00 H +ATOM 1147 HD13 LEU 75 23.180 60.540 31.900 1.00 0.00 H +ATOM 1148 CD2 LEU 75 24.050 62.820 30.630 1.00 0.00 C +ATOM 1149 HD21 LEU 75 23.210 63.050 31.280 1.00 0.00 H +ATOM 1150 HD22 LEU 75 24.870 62.870 31.350 1.00 0.00 H +ATOM 1151 HD23 LEU 75 24.330 63.560 29.880 1.00 0.00 H +ATOM 1152 C LEU 75 27.440 60.830 28.780 1.00 0.00 C +ATOM 1153 O LEU 75 28.000 60.840 29.900 1.00 0.00 O +ATOM 1154 N CYS 76 28.130 60.460 27.670 1.00 0.00 N +ATOM 1155 H CYS 76 27.610 60.360 26.810 1.00 0.00 H +ATOM 1156 CA CYS 76 29.570 60.290 27.500 1.00 0.00 C +ATOM 1157 HA CYS 76 30.050 60.200 28.470 1.00 0.00 H +ATOM 1158 CB CYS 76 29.860 58.910 26.960 1.00 0.00 C +ATOM 1159 HB1 CYS 76 30.930 58.940 26.740 1.00 0.00 H +ATOM 1160 HB2 CYS 76 29.350 58.860 25.990 1.00 0.00 H +ATOM 1161 SG CYS 76 29.450 57.500 28.030 1.00 0.00 S +ATOM 1162 C CYS 76 30.220 61.380 26.610 1.00 0.00 C +ATOM 1163 O CYS 76 31.450 61.420 26.490 1.00 0.00 O +ATOM 1164 N ASN 77 29.420 62.360 26.040 1.00 0.00 N +ATOM 1165 H ASN 77 28.450 62.360 26.300 1.00 0.00 H +ATOM 1166 CA ASN 77 29.920 63.410 25.150 1.00 0.00 C +ATOM 1167 HA ASN 77 29.050 63.890 24.700 1.00 0.00 H +ATOM 1168 CB ASN 77 30.550 64.510 26.030 1.00 0.00 C +ATOM 1169 HB1 ASN 77 31.530 64.230 26.440 1.00 0.00 H +ATOM 1170 HB2 ASN 77 29.880 64.780 26.850 1.00 0.00 H +ATOM 1171 CG ASN 77 30.590 65.890 25.300 1.00 0.00 C +ATOM 1172 OD1 ASN 77 30.070 66.110 24.240 1.00 0.00 O +ATOM 1173 ND2 ASN 77 31.230 66.850 25.890 1.00 0.00 N +ATOM 1174 HD21 ASN 77 31.780 66.660 26.720 1.00 0.00 H +ATOM 1175 HD22 ASN 77 31.300 67.760 25.440 1.00 0.00 H +ATOM 1176 C ASN 77 30.670 63.000 23.900 1.00 0.00 C +ATOM 1177 O ASN 77 31.780 63.490 23.740 1.00 0.00 O +ATOM 1178 N ILE 78 30.180 62.000 23.180 1.00 0.00 N +ATOM 1179 H ILE 78 29.250 61.690 23.410 1.00 0.00 H +ATOM 1180 CA ILE 78 30.850 61.250 22.120 1.00 0.00 C +ATOM 1181 HA ILE 78 31.650 61.890 21.760 1.00 0.00 H +ATOM 1182 CB ILE 78 31.660 60.010 22.630 1.00 0.00 C +ATOM 1183 HB ILE 78 32.120 59.610 21.730 1.00 0.00 H +ATOM 1184 CG2 ILE 78 32.930 60.430 23.530 1.00 0.00 C +ATOM 1185 HG21 ILE 78 33.460 61.180 22.940 1.00 0.00 H +ATOM 1186 HG22 ILE 78 32.630 60.690 24.550 1.00 0.00 H +ATOM 1187 HG23 ILE 78 33.570 59.560 23.660 1.00 0.00 H +ATOM 1188 CG1 ILE 78 30.830 59.030 23.430 1.00 0.00 C +ATOM 1189 HG11 ILE 78 30.230 58.600 22.630 1.00 0.00 H +ATOM 1190 HG12 ILE 78 30.210 59.460 24.220 1.00 0.00 H +ATOM 1191 CD ILE 78 31.690 57.900 24.040 1.00 0.00 C +ATOM 1192 HD1 ILE 78 32.380 57.610 23.250 1.00 0.00 H +ATOM 1193 HD2 ILE 78 32.220 58.100 24.970 1.00 0.00 H +ATOM 1194 HD3 ILE 78 31.100 57.040 24.350 1.00 0.00 H +ATOM 1195 C ILE 78 29.930 60.800 21.020 1.00 0.00 C +ATOM 1196 O ILE 78 28.730 60.500 21.240 1.00 0.00 O +ATOM 1197 N PRO 79 30.500 60.690 19.810 1.00 0.00 N +ATOM 1198 CD PRO 79 31.710 61.420 19.370 1.00 0.00 C +ATOM 1199 HD1 PRO 79 32.570 61.090 19.960 1.00 0.00 H +ATOM 1200 HD2 PRO 79 31.440 62.460 19.550 1.00 0.00 H +ATOM 1201 CG PRO 79 31.860 61.100 17.850 1.00 0.00 C +ATOM 1202 HG1 PRO 79 32.600 60.370 17.540 1.00 0.00 H +ATOM 1203 HG2 PRO 79 32.230 61.970 17.310 1.00 0.00 H +ATOM 1204 CB PRO 79 30.450 60.760 17.390 1.00 0.00 C +ATOM 1205 HB1 PRO 79 30.530 60.160 16.490 1.00 0.00 H +ATOM 1206 HB2 PRO 79 29.870 61.680 17.290 1.00 0.00 H +ATOM 1207 CA PRO 79 29.850 60.090 18.670 1.00 0.00 C +ATOM 1208 HA PRO 79 28.840 60.480 18.850 1.00 0.00 H +ATOM 1209 C PRO 79 29.820 58.510 18.640 1.00 0.00 C +ATOM 1210 O PRO 79 30.850 57.830 18.750 1.00 0.00 O +ATOM 1211 N CYS 80 28.640 57.960 18.330 1.00 0.00 N +ATOM 1212 H CYS 80 27.940 58.650 18.080 1.00 0.00 H +ATOM 1213 CA CYS 80 28.420 56.540 18.120 1.00 0.00 C +ATOM 1214 HA CYS 80 28.620 56.040 19.060 1.00 0.00 H +ATOM 1215 CB CYS 80 27.010 56.230 17.910 1.00 0.00 C +ATOM 1216 HB1 CYS 80 26.820 55.150 17.880 1.00 0.00 H +ATOM 1217 HB2 CYS 80 26.820 56.700 16.950 1.00 0.00 H +ATOM 1218 SG CYS 80 25.940 57.040 19.210 1.00 0.00 S +ATOM 1219 C CYS 80 29.340 55.900 17.150 1.00 0.00 C +ATOM 1220 O CYS 80 29.670 54.750 17.250 1.00 0.00 O +ATOM 1221 N SER 81 29.940 56.680 16.180 1.00 0.00 N +ATOM 1222 H SER 81 29.640 57.640 16.120 1.00 0.00 H +ATOM 1223 CA SER 81 30.970 56.240 15.280 1.00 0.00 C +ATOM 1224 HA SER 81 30.800 55.190 15.030 1.00 0.00 H +ATOM 1225 CB SER 81 31.010 57.010 13.940 1.00 0.00 C +ATOM 1226 HB1 SER 81 31.750 56.550 13.280 1.00 0.00 H +ATOM 1227 HB2 SER 81 31.380 58.010 14.130 1.00 0.00 H +ATOM 1228 OG SER 81 29.830 56.970 13.210 1.00 0.00 O +ATOM 1229 HG SER 81 29.960 56.890 12.260 1.00 0.00 H +ATOM 1230 C SER 81 32.470 56.090 15.830 1.00 0.00 C +ATOM 1231 O SER 81 33.330 55.550 15.130 1.00 0.00 O +ATOM 1232 N ALA 82 32.690 56.460 17.050 1.00 0.00 N +ATOM 1233 H ALA 82 32.070 57.070 17.570 1.00 0.00 H +ATOM 1234 CA ALA 82 34.000 56.150 17.790 1.00 0.00 C +ATOM 1235 HA ALA 82 34.880 56.180 17.140 1.00 0.00 H +ATOM 1236 CB ALA 82 34.110 57.210 18.850 1.00 0.00 C +ATOM 1237 HB1 ALA 82 33.280 57.220 19.560 1.00 0.00 H +ATOM 1238 HB2 ALA 82 35.070 57.040 19.340 1.00 0.00 H +ATOM 1239 HB3 ALA 82 34.160 58.220 18.430 1.00 0.00 H +ATOM 1240 C ALA 82 33.870 54.770 18.390 1.00 0.00 C +ATOM 1241 O ALA 82 34.820 54.290 19.050 1.00 0.00 O +ATOM 1242 N LEU 83 32.640 54.240 18.460 1.00 0.00 N +ATOM 1243 H LEU 83 31.950 54.670 17.860 1.00 0.00 H +ATOM 1244 CA LEU 83 32.270 53.050 19.160 1.00 0.00 C +ATOM 1245 HA LEU 83 33.060 52.860 19.880 1.00 0.00 H +ATOM 1246 CB LEU 83 31.000 53.410 19.990 1.00 0.00 C +ATOM 1247 HB1 LEU 83 30.840 52.620 20.720 1.00 0.00 H +ATOM 1248 HB2 LEU 83 30.190 53.520 19.260 1.00 0.00 H +ATOM 1249 CG LEU 83 31.150 54.720 20.840 1.00 0.00 C +ATOM 1250 HG LEU 83 31.420 55.550 20.180 1.00 0.00 H +ATOM 1251 CD1 LEU 83 29.880 54.840 21.660 1.00 0.00 C +ATOM 1252 HD11 LEU 83 29.010 54.700 21.010 1.00 0.00 H +ATOM 1253 HD12 LEU 83 29.790 54.050 22.420 1.00 0.00 H +ATOM 1254 HD13 LEU 83 29.910 55.780 22.210 1.00 0.00 H +ATOM 1255 CD2 LEU 83 32.270 54.640 21.880 1.00 0.00 C +ATOM 1256 HD21 LEU 83 32.160 55.240 22.780 1.00 0.00 H +ATOM 1257 HD22 LEU 83 32.130 53.650 22.310 1.00 0.00 H +ATOM 1258 HD23 LEU 83 33.250 54.880 21.480 1.00 0.00 H +ATOM 1259 C LEU 83 32.150 51.830 18.130 1.00 0.00 C +ATOM 1260 O LEU 83 32.400 50.670 18.510 1.00 0.00 O +ATOM 1261 N LEU 84 31.970 52.160 16.770 1.00 0.00 N +ATOM 1262 H LEU 84 31.600 53.090 16.580 1.00 0.00 H +ATOM 1263 CA LEU 84 32.110 51.230 15.640 1.00 0.00 C +ATOM 1264 HA LEU 84 31.620 50.300 15.900 1.00 0.00 H +ATOM 1265 CB LEU 84 31.450 51.910 14.400 1.00 0.00 C +ATOM 1266 HB1 LEU 84 31.870 51.500 13.480 1.00 0.00 H +ATOM 1267 HB2 LEU 84 31.790 52.950 14.360 1.00 0.00 H +ATOM 1268 CG LEU 84 29.870 51.880 14.490 1.00 0.00 C +ATOM 1269 HG LEU 84 29.560 52.520 15.310 1.00 0.00 H +ATOM 1270 CD1 LEU 84 29.310 52.270 13.070 1.00 0.00 C +ATOM 1271 HD11 LEU 84 29.910 53.110 12.720 1.00 0.00 H +ATOM 1272 HD12 LEU 84 29.380 51.390 12.430 1.00 0.00 H +ATOM 1273 HD13 LEU 84 28.270 52.580 13.170 1.00 0.00 H +ATOM 1274 CD2 LEU 84 29.290 50.480 14.730 1.00 0.00 C +ATOM 1275 HD21 LEU 84 28.240 50.560 14.470 1.00 0.00 H +ATOM 1276 HD22 LEU 84 29.780 49.760 14.060 1.00 0.00 H +ATOM 1277 HD23 LEU 84 29.400 50.070 15.730 1.00 0.00 H +ATOM 1278 C LEU 84 33.560 50.900 15.300 1.00 0.00 C +ATOM 1279 O LEU 84 33.840 50.130 14.380 1.00 0.00 O +ATOM 1280 N SER 85 34.490 51.480 16.000 1.00 0.00 N +ATOM 1281 H SER 85 34.230 52.230 16.620 1.00 0.00 H +ATOM 1282 CA SER 85 35.960 51.380 15.770 1.00 0.00 C +ATOM 1283 HA SER 85 36.190 51.380 14.700 1.00 0.00 H +ATOM 1284 CB SER 85 36.700 52.550 16.290 1.00 0.00 C +ATOM 1285 HB1 SER 85 37.630 52.730 15.760 1.00 0.00 H +ATOM 1286 HB2 SER 85 36.900 52.410 17.350 1.00 0.00 H +ATOM 1287 OG SER 85 35.880 53.670 16.170 1.00 0.00 O +ATOM 1288 HG SER 85 36.430 54.350 16.560 1.00 0.00 H +ATOM 1289 C SER 85 36.700 50.130 16.440 1.00 0.00 C +ATOM 1290 O SER 85 36.270 49.630 17.480 1.00 0.00 O +ATOM 1291 N SER 86 37.840 49.710 15.810 1.00 0.00 N +ATOM 1292 H SER 86 37.940 49.970 14.840 1.00 0.00 H +ATOM 1293 CA SER 86 38.590 48.580 16.300 1.00 0.00 C +ATOM 1294 HA SER 86 37.870 47.830 16.600 1.00 0.00 H +ATOM 1295 CB SER 86 39.560 48.070 15.220 1.00 0.00 C +ATOM 1296 HB1 SER 86 40.020 47.150 15.600 1.00 0.00 H +ATOM 1297 HB2 SER 86 40.390 48.750 15.020 1.00 0.00 H +ATOM 1298 OG SER 86 38.890 47.630 14.070 1.00 0.00 O +ATOM 1299 HG SER 86 38.380 48.280 13.570 1.00 0.00 H +ATOM 1300 C SER 86 39.390 48.950 17.550 1.00 0.00 C +ATOM 1301 O SER 86 39.620 48.100 18.350 1.00 0.00 O +ATOM 1302 N ASP 87 39.810 50.200 17.680 1.00 0.00 N +ATOM 1303 H ASP 87 39.610 50.900 16.980 1.00 0.00 H +ATOM 1304 CA ASP 87 40.350 50.680 18.940 1.00 0.00 C +ATOM 1305 HA ASP 87 41.060 50.040 19.460 1.00 0.00 H +ATOM 1306 CB ASP 87 41.120 52.030 18.710 1.00 0.00 C +ATOM 1307 HB1 ASP 87 40.570 52.620 17.980 1.00 0.00 H +ATOM 1308 HB2 ASP 87 42.040 51.710 18.220 1.00 0.00 H +ATOM 1309 CG ASP 87 41.430 52.820 20.000 1.00 0.00 C +ATOM 1310 OD1 ASP 87 40.600 53.540 20.620 1.00 0.00 O +ATOM 1311 OD2 ASP 87 42.480 52.610 20.630 1.00 0.00 O +ATOM 1312 C ASP 87 39.190 50.900 19.930 1.00 0.00 C +ATOM 1313 O ASP 87 38.380 51.800 19.880 1.00 0.00 O +ATOM 1314 N ILE 88 39.050 49.980 20.910 1.00 0.00 N +ATOM 1315 H ILE 88 39.780 49.290 21.020 1.00 0.00 H +ATOM 1316 CA ILE 88 37.960 49.960 21.840 1.00 0.00 C +ATOM 1317 HA ILE 88 37.060 50.450 21.470 1.00 0.00 H +ATOM 1318 CB ILE 88 37.570 48.510 22.220 1.00 0.00 C +ATOM 1319 HB ILE 88 36.710 48.580 22.880 1.00 0.00 H +ATOM 1320 CG2 ILE 88 37.260 47.700 21.010 1.00 0.00 C +ATOM 1321 HG21 ILE 88 38.140 47.530 20.380 1.00 0.00 H +ATOM 1322 HG22 ILE 88 36.880 46.700 21.240 1.00 0.00 H +ATOM 1323 HG23 ILE 88 36.460 48.180 20.440 1.00 0.00 H +ATOM 1324 CG1 ILE 88 38.620 47.780 23.130 1.00 0.00 C +ATOM 1325 HG11 ILE 88 39.050 48.450 23.870 1.00 0.00 H +ATOM 1326 HG12 ILE 88 39.320 47.290 22.460 1.00 0.00 H +ATOM 1327 CD ILE 88 38.090 46.600 23.910 1.00 0.00 C +ATOM 1328 HD1 ILE 88 37.430 47.010 24.670 1.00 0.00 H +ATOM 1329 HD2 ILE 88 37.480 45.920 23.320 1.00 0.00 H +ATOM 1330 HD3 ILE 88 38.840 45.990 24.410 1.00 0.00 H +ATOM 1331 C ILE 88 38.170 50.870 23.060 1.00 0.00 C +ATOM 1332 O ILE 88 37.570 50.770 24.140 1.00 0.00 O +ATOM 1333 N THR 89 39.080 51.820 23.050 1.00 0.00 N +ATOM 1334 H THR 89 39.580 51.950 22.180 1.00 0.00 H +ATOM 1335 CA THR 89 39.400 52.780 24.170 1.00 0.00 C +ATOM 1336 HA THR 89 39.650 52.240 25.080 1.00 0.00 H +ATOM 1337 CB THR 89 40.690 53.610 23.860 1.00 0.00 C +ATOM 1338 HB THR 89 40.480 54.210 22.970 1.00 0.00 H +ATOM 1339 CG2 THR 89 41.330 54.410 25.040 1.00 0.00 C +ATOM 1340 HG21 THR 89 41.620 53.720 25.830 1.00 0.00 H +ATOM 1341 HG22 THR 89 42.130 55.080 24.700 1.00 0.00 H +ATOM 1342 HG23 THR 89 40.560 54.970 25.570 1.00 0.00 H +ATOM 1343 OG1 THR 89 41.710 52.800 23.330 1.00 0.00 O +ATOM 1344 HG1 THR 89 41.820 52.980 22.400 1.00 0.00 H +ATOM 1345 C THR 89 38.310 53.810 24.460 1.00 0.00 C +ATOM 1346 O THR 89 37.840 53.880 25.550 1.00 0.00 O +ATOM 1347 N ALA 90 37.770 54.410 23.420 1.00 0.00 N +ATOM 1348 H ALA 90 38.130 54.250 22.490 1.00 0.00 H +ATOM 1349 CA ALA 90 36.760 55.390 23.620 1.00 0.00 C +ATOM 1350 HA ALA 90 37.030 56.140 24.360 1.00 0.00 H +ATOM 1351 CB ALA 90 36.400 55.990 22.230 1.00 0.00 C +ATOM 1352 HB1 ALA 90 35.730 56.850 22.280 1.00 0.00 H +ATOM 1353 HB2 ALA 90 37.280 56.340 21.690 1.00 0.00 H +ATOM 1354 HB3 ALA 90 35.940 55.290 21.540 1.00 0.00 H +ATOM 1355 C ALA 90 35.460 54.690 24.160 1.00 0.00 C +ATOM 1356 O ALA 90 34.780 55.280 25.030 1.00 0.00 O +ATOM 1357 N SER 91 35.190 53.410 23.760 1.00 0.00 N +ATOM 1358 H SER 91 35.890 53.010 23.150 1.00 0.00 H +ATOM 1359 CA SER 91 34.090 52.550 24.290 1.00 0.00 C +ATOM 1360 HA SER 91 33.110 53.010 24.150 1.00 0.00 H +ATOM 1361 CB SER 91 33.980 51.290 23.510 1.00 0.00 C +ATOM 1362 HB1 SER 91 33.160 50.730 23.940 1.00 0.00 H +ATOM 1363 HB2 SER 91 34.870 50.660 23.600 1.00 0.00 H +ATOM 1364 OG SER 91 33.610 51.520 22.190 1.00 0.00 O +ATOM 1365 HG SER 91 34.370 51.950 21.810 1.00 0.00 H +ATOM 1366 C SER 91 34.300 52.270 25.770 1.00 0.00 C +ATOM 1367 O SER 91 33.390 52.440 26.580 1.00 0.00 O +ATOM 1368 N VAL 92 35.510 51.830 26.130 1.00 0.00 N +ATOM 1369 H VAL 92 36.290 51.800 25.490 1.00 0.00 H +ATOM 1370 CA VAL 92 35.800 51.520 27.550 1.00 0.00 C +ATOM 1371 HA VAL 92 35.100 50.770 27.880 1.00 0.00 H +ATOM 1372 CB VAL 92 37.210 50.790 27.690 1.00 0.00 C +ATOM 1373 HB VAL 92 37.930 51.230 27.000 1.00 0.00 H +ATOM 1374 CG1 VAL 92 37.700 50.880 29.140 1.00 0.00 C +ATOM 1375 HG11 VAL 92 36.870 50.710 29.840 1.00 0.00 H +ATOM 1376 HG12 VAL 92 38.440 50.120 29.370 1.00 0.00 H +ATOM 1377 HG13 VAL 92 38.150 51.830 29.420 1.00 0.00 H +ATOM 1378 CG2 VAL 92 37.000 49.390 27.220 1.00 0.00 C +ATOM 1379 HG21 VAL 92 36.580 49.400 26.210 1.00 0.00 H +ATOM 1380 HG22 VAL 92 37.950 48.880 27.110 1.00 0.00 H +ATOM 1381 HG23 VAL 92 36.270 48.800 27.770 1.00 0.00 H +ATOM 1382 C VAL 92 35.470 52.690 28.580 1.00 0.00 C +ATOM 1383 O VAL 92 34.750 52.570 29.550 1.00 0.00 O +ATOM 1384 N ASN 93 35.990 53.830 28.160 1.00 0.00 N +ATOM 1385 H ASN 93 36.550 53.830 27.320 1.00 0.00 H +ATOM 1386 CA ASN 93 35.890 55.150 28.880 1.00 0.00 C +ATOM 1387 HA ASN 93 36.310 55.190 29.880 1.00 0.00 H +ATOM 1388 CB ASN 93 36.580 56.290 28.130 1.00 0.00 C +ATOM 1389 HB1 ASN 93 36.310 57.320 28.390 1.00 0.00 H +ATOM 1390 HB2 ASN 93 36.440 56.160 27.060 1.00 0.00 H +ATOM 1391 CG ASN 93 38.080 56.170 28.420 1.00 0.00 C +ATOM 1392 OD1 ASN 93 38.600 56.580 29.450 1.00 0.00 O +ATOM 1393 ND2 ASN 93 38.830 55.470 27.680 1.00 0.00 N +ATOM 1394 HD21 ASN 93 38.440 55.000 26.870 1.00 0.00 H +ATOM 1395 HD22 ASN 93 39.780 55.270 27.950 1.00 0.00 H +ATOM 1396 C ASN 93 34.430 55.490 29.270 1.00 0.00 C +ATOM 1397 O ASN 93 34.100 55.900 30.380 1.00 0.00 O +ATOM 1398 N CYS 94 33.570 55.330 28.240 1.00 0.00 N +ATOM 1399 H CYS 94 33.960 55.210 27.320 1.00 0.00 H +ATOM 1400 CA CYS 94 32.080 55.390 28.360 1.00 0.00 C +ATOM 1401 HA CYS 94 31.930 56.340 28.880 1.00 0.00 H +ATOM 1402 CB CYS 94 31.500 55.720 26.990 1.00 0.00 C +ATOM 1403 HB1 CYS 94 31.670 54.870 26.330 1.00 0.00 H +ATOM 1404 HB2 CYS 94 31.980 56.650 26.680 1.00 0.00 H +ATOM 1405 SG CYS 94 29.710 55.930 26.830 1.00 0.00 S +ATOM 1406 C CYS 94 31.390 54.250 29.110 1.00 0.00 C +ATOM 1407 O CYS 94 30.630 54.460 30.000 1.00 0.00 O +ATOM 1408 N ALA 95 31.890 53.060 28.900 1.00 0.00 N +ATOM 1409 H ALA 95 32.570 52.980 28.160 1.00 0.00 H +ATOM 1410 CA ALA 95 31.410 51.830 29.540 1.00 0.00 C +ATOM 1411 HA ALA 95 30.340 51.670 29.410 1.00 0.00 H +ATOM 1412 CB ALA 95 32.150 50.630 28.790 1.00 0.00 C +ATOM 1413 HB1 ALA 95 31.840 50.580 27.750 1.00 0.00 H +ATOM 1414 HB2 ALA 95 33.230 50.710 28.800 1.00 0.00 H +ATOM 1415 HB3 ALA 95 31.780 49.700 29.240 1.00 0.00 H +ATOM 1416 C ALA 95 31.470 51.830 31.090 1.00 0.00 C +ATOM 1417 O ALA 95 30.470 51.570 31.790 1.00 0.00 O +ATOM 1418 N LYS 96 32.640 52.250 31.630 1.00 0.00 N +ATOM 1419 H LYS 96 33.360 52.400 30.940 1.00 0.00 H +ATOM 1420 CA LYS 96 32.860 52.660 32.990 1.00 0.00 C +ATOM 1421 HA LYS 96 32.700 51.780 33.610 1.00 0.00 H +ATOM 1422 CB LYS 96 34.300 53.160 33.200 1.00 0.00 C +ATOM 1423 HB1 LYS 96 34.330 53.370 34.270 1.00 0.00 H +ATOM 1424 HB2 LYS 96 34.540 54.030 32.580 1.00 0.00 H +ATOM 1425 CG LYS 96 35.360 52.070 32.870 1.00 0.00 C +ATOM 1426 HG1 LYS 96 35.020 51.520 32.000 1.00 0.00 H +ATOM 1427 HG2 LYS 96 35.450 51.390 33.720 1.00 0.00 H +ATOM 1428 CD LYS 96 36.810 52.560 32.770 1.00 0.00 C +ATOM 1429 HD1 LYS 96 37.100 53.070 33.680 1.00 0.00 H +ATOM 1430 HD2 LYS 96 36.910 53.200 31.890 1.00 0.00 H +ATOM 1431 CE LYS 96 37.750 51.320 32.650 1.00 0.00 C +ATOM 1432 HE1 LYS 96 37.480 50.780 31.740 1.00 0.00 H +ATOM 1433 HE2 LYS 96 37.660 50.750 33.580 1.00 0.00 H +ATOM 1434 NZ LYS 96 39.110 51.770 32.440 1.00 0.00 N +ATOM 1435 HZ1 LYS 96 39.140 52.520 31.770 1.00 0.00 H +ATOM 1436 HZ2 LYS 96 39.390 52.140 33.340 1.00 0.00 H +ATOM 1437 HZ3 LYS 96 39.720 51.020 32.170 1.00 0.00 H +ATOM 1438 C LYS 96 31.800 53.730 33.570 1.00 0.00 C +ATOM 1439 O LYS 96 31.480 53.560 34.770 1.00 0.00 O +ATOM 1440 N LYS 97 31.320 54.630 32.740 1.00 0.00 N +ATOM 1441 H LYS 97 31.710 54.780 31.820 1.00 0.00 H +ATOM 1442 CA LYS 97 30.270 55.610 33.130 1.00 0.00 C +ATOM 1443 HA LYS 97 30.520 56.030 34.100 1.00 0.00 H +ATOM 1444 CB LYS 97 30.330 56.890 32.220 1.00 0.00 C +ATOM 1445 HB1 LYS 97 29.630 57.610 32.640 1.00 0.00 H +ATOM 1446 HB2 LYS 97 30.150 56.740 31.150 1.00 0.00 H +ATOM 1447 CG LYS 97 31.740 57.420 32.310 1.00 0.00 C +ATOM 1448 HG1 LYS 97 32.450 56.730 31.860 1.00 0.00 H +ATOM 1449 HG2 LYS 97 31.990 57.450 33.370 1.00 0.00 H +ATOM 1450 CD LYS 97 32.010 58.790 31.750 1.00 0.00 C +ATOM 1451 HD1 LYS 97 31.340 59.530 32.190 1.00 0.00 H +ATOM 1452 HD2 LYS 97 31.840 58.840 30.680 1.00 0.00 H +ATOM 1453 CE LYS 97 33.420 59.290 32.000 1.00 0.00 C +ATOM 1454 HE1 LYS 97 34.070 58.780 31.280 1.00 0.00 H +ATOM 1455 HE2 LYS 97 33.600 58.990 33.030 1.00 0.00 H +ATOM 1456 NZ LYS 97 33.600 60.700 31.720 1.00 0.00 N +ATOM 1457 HZ1 LYS 97 32.960 61.260 32.260 1.00 0.00 H +ATOM 1458 HZ2 LYS 97 34.510 60.970 32.070 1.00 0.00 H +ATOM 1459 HZ3 LYS 97 33.460 60.730 30.720 1.00 0.00 H +ATOM 1460 C LYS 97 28.900 54.950 33.180 1.00 0.00 C +ATOM 1461 O LYS 97 28.120 55.280 34.090 1.00 0.00 O +ATOM 1462 N ILE 98 28.600 53.970 32.290 1.00 0.00 N +ATOM 1463 H ILE 98 29.350 53.760 31.650 1.00 0.00 H +ATOM 1464 CA ILE 98 27.310 53.240 32.200 1.00 0.00 C +ATOM 1465 HA ILE 98 26.460 53.920 32.150 1.00 0.00 H +ATOM 1466 CB ILE 98 27.310 52.430 30.870 1.00 0.00 C +ATOM 1467 HB ILE 98 28.150 51.750 30.720 1.00 0.00 H +ATOM 1468 CG2 ILE 98 26.090 51.580 30.820 1.00 0.00 C +ATOM 1469 HG21 ILE 98 25.930 51.230 29.800 1.00 0.00 H +ATOM 1470 HG22 ILE 98 26.170 50.620 31.330 1.00 0.00 H +ATOM 1471 HG23 ILE 98 25.180 52.120 31.070 1.00 0.00 H +ATOM 1472 CG1 ILE 98 27.140 53.400 29.690 1.00 0.00 C +ATOM 1473 HG11 ILE 98 27.870 54.220 29.700 1.00 0.00 H +ATOM 1474 HG12 ILE 98 26.160 53.850 29.820 1.00 0.00 H +ATOM 1475 CD ILE 98 27.100 52.860 28.230 1.00 0.00 C +ATOM 1476 HD1 ILE 98 26.070 52.520 28.130 1.00 0.00 H +ATOM 1477 HD2 ILE 98 27.190 53.640 27.470 1.00 0.00 H +ATOM 1478 HD3 ILE 98 27.930 52.180 28.070 1.00 0.00 H +ATOM 1479 C ILE 98 27.070 52.390 33.420 1.00 0.00 C +ATOM 1480 O ILE 98 26.000 52.630 34.010 1.00 0.00 O +ATOM 1481 N VAL 99 28.090 51.630 33.840 1.00 0.00 N +ATOM 1482 H VAL 99 28.930 51.590 33.290 1.00 0.00 H +ATOM 1483 CA VAL 99 28.150 50.850 35.110 1.00 0.00 C +ATOM 1484 HA VAL 99 27.240 50.250 35.080 1.00 0.00 H +ATOM 1485 CB VAL 99 29.380 49.880 35.130 1.00 0.00 C +ATOM 1486 HB VAL 99 29.360 49.320 34.190 1.00 0.00 H +ATOM 1487 CG1 VAL 99 30.660 50.660 35.220 1.00 0.00 C +ATOM 1488 HG11 VAL 99 30.650 51.470 35.950 1.00 0.00 H +ATOM 1489 HG12 VAL 99 31.510 49.990 35.310 1.00 0.00 H +ATOM 1490 HG13 VAL 99 30.790 51.250 34.310 1.00 0.00 H +ATOM 1491 CG2 VAL 99 29.450 48.840 36.320 1.00 0.00 C +ATOM 1492 HG21 VAL 99 30.370 48.280 36.210 1.00 0.00 H +ATOM 1493 HG22 VAL 99 29.380 49.190 37.350 1.00 0.00 H +ATOM 1494 HG23 VAL 99 28.720 48.030 36.260 1.00 0.00 H +ATOM 1495 C VAL 99 28.030 51.780 36.380 1.00 0.00 C +ATOM 1496 O VAL 99 27.740 51.370 37.480 1.00 0.00 O +ATOM 1497 N SER 100 28.250 53.080 36.290 1.00 0.00 N +ATOM 1498 H SER 100 28.240 53.520 35.380 1.00 0.00 H +ATOM 1499 CA SER 100 28.210 54.040 37.530 1.00 0.00 C +ATOM 1500 HA SER 100 28.430 53.540 38.470 1.00 0.00 H +ATOM 1501 CB SER 100 29.490 54.930 37.390 1.00 0.00 C +ATOM 1502 HB1 SER 100 29.460 55.640 38.220 1.00 0.00 H +ATOM 1503 HB2 SER 100 29.440 55.590 36.520 1.00 0.00 H +ATOM 1504 OG SER 100 30.720 54.190 37.330 1.00 0.00 O +ATOM 1505 HG SER 100 30.830 53.980 36.400 1.00 0.00 H +ATOM 1506 C SER 100 26.920 54.870 37.560 1.00 0.00 C +ATOM 1507 O SER 100 26.720 55.540 38.560 1.00 0.00 O +ATOM 1508 N ASP 101 25.950 54.670 36.650 1.00 0.00 N +ATOM 1509 H ASP 101 26.150 54.030 35.900 1.00 0.00 H +ATOM 1510 CA ASP 101 24.750 55.520 36.570 1.00 0.00 C +ATOM 1511 HA ASP 101 24.960 56.580 36.730 1.00 0.00 H +ATOM 1512 CB ASP 101 24.190 55.540 35.130 1.00 0.00 C +ATOM 1513 HB1 ASP 101 24.040 54.500 34.860 1.00 0.00 H +ATOM 1514 HB2 ASP 101 24.950 55.950 34.460 1.00 0.00 H +ATOM 1515 CG ASP 101 22.900 56.380 34.930 1.00 0.00 C +ATOM 1516 OD1 ASP 101 22.900 57.600 35.090 1.00 0.00 O +ATOM 1517 OD2 ASP 101 21.790 55.760 34.740 1.00 0.00 O +ATOM 1518 C ASP 101 23.550 55.130 37.620 1.00 0.00 C +ATOM 1519 O ASP 101 22.570 55.880 37.860 1.00 0.00 O +ATOM 1520 N GLY 102 23.780 53.920 38.190 1.00 0.00 N +ATOM 1521 H GLY 102 24.600 53.400 37.880 1.00 0.00 H +ATOM 1522 CA GLY 102 23.030 53.460 39.370 1.00 0.00 C +ATOM 1523 HA1 GLY 102 22.100 54.010 39.500 1.00 0.00 H +ATOM 1524 HA2 GLY 102 23.650 53.760 40.210 1.00 0.00 H +ATOM 1525 C GLY 102 22.850 51.950 39.700 1.00 0.00 C +ATOM 1526 O GLY 102 22.630 51.560 40.850 1.00 0.00 O +ATOM 1527 N ASN 103 22.900 51.110 38.670 1.00 0.00 N +ATOM 1528 H ASN 103 23.010 51.490 37.740 1.00 0.00 H +ATOM 1529 CA ASN 103 22.410 49.680 38.640 1.00 0.00 C +ATOM 1530 HA ASN 103 21.980 49.340 39.580 1.00 0.00 H +ATOM 1531 CB ASN 103 21.300 49.840 37.630 1.00 0.00 C +ATOM 1532 HB1 ASN 103 21.730 49.870 36.630 1.00 0.00 H +ATOM 1533 HB2 ASN 103 20.750 50.770 37.750 1.00 0.00 H +ATOM 1534 CG ASN 103 20.230 48.820 37.680 1.00 0.00 C +ATOM 1535 OD1 ASN 103 20.110 48.110 38.600 1.00 0.00 O +ATOM 1536 ND2 ASN 103 19.520 48.680 36.590 1.00 0.00 N +ATOM 1537 HD21 ASN 103 19.610 49.520 36.030 1.00 0.00 H +ATOM 1538 HD22 ASN 103 18.800 47.980 36.560 1.00 0.00 H +ATOM 1539 C ASN 103 23.540 48.650 38.370 1.00 0.00 C +ATOM 1540 O ASN 103 23.330 47.420 38.270 1.00 0.00 O +ATOM 1541 N GLY 104 24.760 49.140 38.150 1.00 0.00 N +ATOM 1542 H GLY 104 24.930 50.110 37.930 1.00 0.00 H +ATOM 1543 CA GLY 104 25.940 48.340 37.820 1.00 0.00 C +ATOM 1544 HA1 GLY 104 26.170 47.670 38.650 1.00 0.00 H +ATOM 1545 HA2 GLY 104 26.830 48.970 37.800 1.00 0.00 H +ATOM 1546 C GLY 104 25.800 47.790 36.450 1.00 0.00 C +ATOM 1547 O GLY 104 25.220 48.370 35.500 1.00 0.00 O +ATOM 1548 N MET 105 26.080 46.490 36.310 1.00 0.00 N +ATOM 1549 H MET 105 26.490 46.010 37.100 1.00 0.00 H +ATOM 1550 CA MET 105 25.980 45.750 35.050 1.00 0.00 C +ATOM 1551 HA MET 105 26.420 46.390 34.290 1.00 0.00 H +ATOM 1552 CB MET 105 26.800 44.500 35.140 1.00 0.00 C +ATOM 1553 HB1 MET 105 26.770 43.920 34.220 1.00 0.00 H +ATOM 1554 HB2 MET 105 26.410 44.020 36.040 1.00 0.00 H +ATOM 1555 CG MET 105 28.290 44.780 35.330 1.00 0.00 C +ATOM 1556 HG1 MET 105 28.750 43.800 35.250 1.00 0.00 H +ATOM 1557 HG2 MET 105 28.390 45.180 36.340 1.00 0.00 H +ATOM 1558 SD MET 105 29.340 45.700 34.260 1.00 0.00 S +ATOM 1559 CE MET 105 29.500 44.650 32.760 1.00 0.00 C +ATOM 1560 HE1 MET 105 30.240 44.920 32.000 1.00 0.00 H +ATOM 1561 HE2 MET 105 29.850 43.690 33.130 1.00 0.00 H +ATOM 1562 HE3 MET 105 28.510 44.500 32.340 1.00 0.00 H +ATOM 1563 C MET 105 24.560 45.440 34.540 1.00 0.00 C +ATOM 1564 O MET 105 24.390 45.140 33.400 1.00 0.00 O +ATOM 1565 N ASN 106 23.600 45.670 35.320 1.00 0.00 N +ATOM 1566 H ASN 106 23.810 45.960 36.260 1.00 0.00 H +ATOM 1567 CA ASN 106 22.120 45.600 35.060 1.00 0.00 C +ATOM 1568 HA ASN 106 21.890 44.580 34.740 1.00 0.00 H +ATOM 1569 CB ASN 106 21.230 45.740 36.430 1.00 0.00 C +ATOM 1570 HB1 ASN 106 20.160 45.620 36.250 1.00 0.00 H +ATOM 1571 HB2 ASN 106 21.420 46.670 36.970 1.00 0.00 H +ATOM 1572 CG ASN 106 21.510 44.570 37.380 1.00 0.00 C +ATOM 1573 OD1 ASN 106 20.830 43.570 37.390 1.00 0.00 O +ATOM 1574 ND2 ASN 106 22.500 44.740 38.250 1.00 0.00 N +ATOM 1575 HD21 ASN 106 22.920 45.650 38.290 1.00 0.00 H +ATOM 1576 HD22 ASN 106 22.560 44.050 38.980 1.00 0.00 H +ATOM 1577 C ASN 106 21.560 46.540 33.950 1.00 0.00 C +ATOM 1578 O ASN 106 20.420 46.420 33.600 1.00 0.00 O +ATOM 1579 N ALA 107 22.330 47.500 33.410 1.00 0.00 N +ATOM 1580 H ALA 107 23.330 47.490 33.570 1.00 0.00 H +ATOM 1581 CA ALA 107 21.960 48.340 32.240 1.00 0.00 C +ATOM 1582 HA ALA 107 20.900 48.610 32.270 1.00 0.00 H +ATOM 1583 CB ALA 107 22.780 49.600 32.160 1.00 0.00 C +ATOM 1584 HB1 ALA 107 22.310 50.170 31.360 1.00 0.00 H +ATOM 1585 HB2 ALA 107 22.670 50.050 33.140 1.00 0.00 H +ATOM 1586 HB3 ALA 107 23.820 49.300 32.040 1.00 0.00 H +ATOM 1587 C ALA 107 22.170 47.560 30.850 1.00 0.00 C +ATOM 1588 O ALA 107 21.620 48.110 29.870 1.00 0.00 O +ATOM 1589 N TRP 108 22.800 46.370 30.810 1.00 0.00 N +ATOM 1590 H TRP 108 23.100 46.000 31.700 1.00 0.00 H +ATOM 1591 CA TRP 108 22.790 45.450 29.670 1.00 0.00 C +ATOM 1592 HA TRP 108 22.320 45.910 28.800 1.00 0.00 H +ATOM 1593 CB TRP 108 24.160 45.020 29.140 1.00 0.00 C +ATOM 1594 HB1 TRP 108 24.010 44.360 28.290 1.00 0.00 H +ATOM 1595 HB2 TRP 108 24.640 44.450 29.930 1.00 0.00 H +ATOM 1596 CG TRP 108 25.080 46.110 28.670 1.00 0.00 C +ATOM 1597 CD1 TRP 108 25.190 46.660 27.420 1.00 0.00 C +ATOM 1598 HD1 TRP 108 24.680 46.280 26.550 1.00 0.00 H +ATOM 1599 NE1 TRP 108 26.150 47.700 27.500 1.00 0.00 N +ATOM 1600 HE1 TRP 108 26.490 48.210 26.700 1.00 0.00 H +ATOM 1601 CE2 TRP 108 26.660 47.920 28.730 1.00 0.00 C +ATOM 1602 CZ2 TRP 108 27.560 48.870 29.180 1.00 0.00 C +ATOM 1603 HZ2 TRP 108 27.830 49.680 28.520 1.00 0.00 H +ATOM 1604 CH2 TRP 108 27.940 48.770 30.520 1.00 0.00 C +ATOM 1605 HH2 TRP 108 28.730 49.390 30.900 1.00 0.00 H +ATOM 1606 CZ3 TRP 108 27.300 47.810 31.370 1.00 0.00 C +ATOM 1607 HZ3 TRP 108 27.670 47.590 32.360 1.00 0.00 H +ATOM 1608 CE3 TRP 108 26.320 46.860 30.890 1.00 0.00 C +ATOM 1609 HE3 TRP 108 25.830 46.050 31.400 1.00 0.00 H +ATOM 1610 CD2 TRP 108 25.990 46.920 29.530 1.00 0.00 C +ATOM 1611 C TRP 108 21.800 44.290 29.820 1.00 0.00 C +ATOM 1612 O TRP 108 21.790 43.640 30.890 1.00 0.00 O +ATOM 1613 N VAL 109 20.910 44.140 28.870 1.00 0.00 N +ATOM 1614 H VAL 109 21.090 44.610 28.000 1.00 0.00 H +ATOM 1615 CA VAL 109 19.860 43.090 28.900 1.00 0.00 C +ATOM 1616 HA VAL 109 19.560 43.060 29.950 1.00 0.00 H +ATOM 1617 CB VAL 109 18.630 43.480 28.020 1.00 0.00 C +ATOM 1618 HB VAL 109 18.440 44.500 28.360 1.00 0.00 H +ATOM 1619 CG1 VAL 109 19.070 43.590 26.520 1.00 0.00 C +ATOM 1620 HG11 VAL 109 19.970 44.210 26.510 1.00 0.00 H +ATOM 1621 HG12 VAL 109 19.340 42.610 26.150 1.00 0.00 H +ATOM 1622 HG13 VAL 109 18.250 43.940 25.890 1.00 0.00 H +ATOM 1623 CG2 VAL 109 17.430 42.570 28.260 1.00 0.00 C +ATOM 1624 HG21 VAL 109 17.530 41.600 27.770 1.00 0.00 H +ATOM 1625 HG22 VAL 109 17.440 42.400 29.330 1.00 0.00 H +ATOM 1626 HG23 VAL 109 16.530 43.100 27.950 1.00 0.00 H +ATOM 1627 C VAL 109 20.350 41.680 28.730 1.00 0.00 C +ATOM 1628 O VAL 109 20.160 40.770 29.520 1.00 0.00 O +ATOM 1629 N ALA 110 21.320 41.440 27.800 1.00 0.00 N +ATOM 1630 H ALA 110 21.530 42.160 27.130 1.00 0.00 H +ATOM 1631 CA ALA 110 21.990 40.130 27.670 1.00 0.00 C +ATOM 1632 HA ALA 110 21.130 39.460 27.720 1.00 0.00 H +ATOM 1633 CB ALA 110 22.730 40.070 26.320 1.00 0.00 C +ATOM 1634 HB1 ALA 110 22.410 40.930 25.720 1.00 0.00 H +ATOM 1635 HB2 ALA 110 23.790 40.260 26.470 1.00 0.00 H +ATOM 1636 HB3 ALA 110 22.360 39.170 25.820 1.00 0.00 H +ATOM 1637 C ALA 110 22.770 39.670 28.930 1.00 0.00 C +ATOM 1638 O ALA 110 22.660 38.520 29.300 1.00 0.00 O +ATOM 1639 N TRP 111 23.330 40.670 29.600 1.00 0.00 N +ATOM 1640 H TRP 111 23.420 41.570 29.160 1.00 0.00 H +ATOM 1641 CA TRP 111 23.960 40.500 30.920 1.00 0.00 C +ATOM 1642 HA TRP 111 24.620 39.640 30.820 1.00 0.00 H +ATOM 1643 CB TRP 111 24.860 41.740 31.300 1.00 0.00 C +ATOM 1644 HB1 TRP 111 24.260 42.640 31.430 1.00 0.00 H +ATOM 1645 HB2 TRP 111 25.580 41.880 30.490 1.00 0.00 H +ATOM 1646 CG TRP 111 25.690 41.440 32.570 1.00 0.00 C +ATOM 1647 CD1 TRP 111 26.960 40.990 32.610 1.00 0.00 C +ATOM 1648 HD1 TRP 111 27.590 40.760 31.770 1.00 0.00 H +ATOM 1649 NE1 TRP 111 27.240 40.750 33.960 1.00 0.00 N +ATOM 1650 HE1 TRP 111 28.140 40.480 34.330 1.00 0.00 H +ATOM 1651 CE2 TRP 111 26.250 41.120 34.810 1.00 0.00 C +ATOM 1652 CZ2 TRP 111 26.130 41.160 36.150 1.00 0.00 C +ATOM 1653 HZ2 TRP 111 26.880 40.740 36.800 1.00 0.00 H +ATOM 1654 CH2 TRP 111 25.060 41.870 36.770 1.00 0.00 C +ATOM 1655 HH2 TRP 111 25.040 41.800 37.840 1.00 0.00 H +ATOM 1656 CZ3 TRP 111 24.120 42.500 35.950 1.00 0.00 C +ATOM 1657 HZ3 TRP 111 23.380 43.100 36.450 1.00 0.00 H +ATOM 1658 CE3 TRP 111 24.260 42.460 34.560 1.00 0.00 C +ATOM 1659 HE3 TRP 111 23.590 42.940 33.870 1.00 0.00 H +ATOM 1660 CD2 TRP 111 25.330 41.780 33.960 1.00 0.00 C +ATOM 1661 C TRP 111 23.020 40.160 32.080 1.00 0.00 C +ATOM 1662 O TRP 111 23.260 39.210 32.860 1.00 0.00 O +ATOM 1663 N ARG 112 21.820 40.750 32.130 1.00 0.00 N +ATOM 1664 H ARG 112 21.640 41.510 31.500 1.00 0.00 H +ATOM 1665 CA ARG 112 20.750 40.410 33.130 1.00 0.00 C +ATOM 1666 HA ARG 112 21.000 40.460 34.190 1.00 0.00 H +ATOM 1667 CB ARG 112 19.600 41.310 32.850 1.00 0.00 C +ATOM 1668 HB1 ARG 112 18.670 40.890 33.230 1.00 0.00 H +ATOM 1669 HB2 ARG 112 19.470 41.540 31.790 1.00 0.00 H +ATOM 1670 CG ARG 112 19.870 42.620 33.620 1.00 0.00 C +ATOM 1671 HG1 ARG 112 20.510 43.290 33.050 1.00 0.00 H +ATOM 1672 HG2 ARG 112 20.210 42.550 34.650 1.00 0.00 H +ATOM 1673 CD ARG 112 18.530 43.350 33.720 1.00 0.00 C +ATOM 1674 HD1 ARG 112 18.600 44.390 34.030 1.00 0.00 H +ATOM 1675 HD2 ARG 112 17.900 42.820 34.440 1.00 0.00 H +ATOM 1676 NE ARG 112 17.690 43.320 32.490 1.00 0.00 N +ATOM 1677 HE ARG 112 17.220 42.460 32.240 1.00 0.00 H +ATOM 1678 CZ ARG 112 17.510 44.350 31.740 1.00 0.00 C +ATOM 1679 NH1 ARG 112 18.230 45.470 31.800 1.00 0.00 N +ATOM 1680 HH11 ARG 112 18.970 45.620 32.470 1.00 0.00 H +ATOM 1681 HH12 ARG 112 18.000 46.240 31.180 1.00 0.00 H +ATOM 1682 NH2 ARG 112 16.490 44.400 30.960 1.00 0.00 N +ATOM 1683 HH21 ARG 112 15.800 43.660 30.950 1.00 0.00 H +ATOM 1684 HH22 ARG 112 16.340 45.320 30.560 1.00 0.00 H +ATOM 1685 C ARG 112 20.300 38.950 32.920 1.00 0.00 C +ATOM 1686 O ARG 112 19.860 38.310 33.900 1.00 0.00 O +ATOM 1687 N ASN 113 20.260 38.470 31.670 1.00 0.00 N +ATOM 1688 H ASN 113 20.510 39.080 30.900 1.00 0.00 H +ATOM 1689 CA ASN 113 19.580 37.220 31.320 1.00 0.00 C +ATOM 1690 HA ASN 113 18.700 37.020 31.940 1.00 0.00 H +ATOM 1691 CB ASN 113 18.890 37.290 29.960 1.00 0.00 C +ATOM 1692 HB1 ASN 113 18.390 36.360 29.710 1.00 0.00 H +ATOM 1693 HB2 ASN 113 19.640 37.640 29.240 1.00 0.00 H +ATOM 1694 CG ASN 113 17.810 38.400 30.020 1.00 0.00 C +ATOM 1695 OD1 ASN 113 17.480 38.980 31.090 1.00 0.00 O +ATOM 1696 ND2 ASN 113 17.170 38.610 28.930 1.00 0.00 N +ATOM 1697 HD21 ASN 113 17.530 38.250 28.060 1.00 0.00 H +ATOM 1698 HD22 ASN 113 16.410 39.270 28.930 1.00 0.00 H +ATOM 1699 C ASN 113 20.480 35.980 31.320 1.00 0.00 C +ATOM 1700 O ASN 113 19.950 34.850 31.430 1.00 0.00 O +ATOM 1701 N ARG 114 21.820 36.230 31.120 1.00 0.00 N +ATOM 1702 H ARG 114 22.170 37.160 30.990 1.00 0.00 H +ATOM 1703 CA ARG 114 22.790 35.110 31.000 1.00 0.00 C +ATOM 1704 HA ARG 114 22.260 34.170 31.120 1.00 0.00 H +ATOM 1705 CB ARG 114 23.500 35.210 29.670 1.00 0.00 C +ATOM 1706 HB1 ARG 114 24.140 34.340 29.590 1.00 0.00 H +ATOM 1707 HB2 ARG 114 24.100 36.120 29.560 1.00 0.00 H +ATOM 1708 CG ARG 114 22.630 35.200 28.450 1.00 0.00 C +ATOM 1709 HG1 ARG 114 23.190 35.510 27.570 1.00 0.00 H +ATOM 1710 HG2 ARG 114 21.820 35.900 28.620 1.00 0.00 H +ATOM 1711 CD ARG 114 22.050 33.770 28.130 1.00 0.00 C +ATOM 1712 HD1 ARG 114 21.340 33.510 28.910 1.00 0.00 H +ATOM 1713 HD2 ARG 114 22.840 33.030 28.040 1.00 0.00 H +ATOM 1714 NE ARG 114 21.240 33.800 26.890 1.00 0.00 N +ATOM 1715 HE ARG 114 21.260 34.680 26.390 1.00 0.00 H +ATOM 1716 CZ ARG 114 20.850 32.750 26.250 1.00 0.00 C +ATOM 1717 NH1 ARG 114 20.820 31.560 26.730 1.00 0.00 N +ATOM 1718 HH11 ARG 114 21.430 31.440 27.530 1.00 0.00 H +ATOM 1719 HH12 ARG 114 20.170 30.880 26.370 1.00 0.00 H +ATOM 1720 NH2 ARG 114 20.350 32.960 25.090 1.00 0.00 N +ATOM 1721 HH21 ARG 114 20.330 33.870 24.660 1.00 0.00 H +ATOM 1722 HH22 ARG 114 20.010 32.140 24.600 1.00 0.00 H +ATOM 1723 C ARG 114 23.790 35.200 32.170 1.00 0.00 C +ATOM 1724 O ARG 114 24.100 34.200 32.740 1.00 0.00 O +ATOM 1725 N CYS 115 24.170 36.390 32.580 1.00 0.00 N +ATOM 1726 H CYS 115 23.920 37.130 31.940 1.00 0.00 H +ATOM 1727 CA CYS 115 25.420 36.560 33.390 1.00 0.00 C +ATOM 1728 HA CYS 115 25.920 35.600 33.480 1.00 0.00 H +ATOM 1729 CB CYS 115 26.230 37.680 32.560 1.00 0.00 C +ATOM 1730 HB1 CYS 115 27.230 37.580 32.980 1.00 0.00 H +ATOM 1731 HB2 CYS 115 25.730 38.630 32.720 1.00 0.00 H +ATOM 1732 SG CYS 115 26.530 37.450 30.810 1.00 0.00 S +ATOM 1733 C CYS 115 25.250 37.090 34.830 1.00 0.00 C +ATOM 1734 O CYS 115 26.200 37.120 35.580 1.00 0.00 O +ATOM 1735 N LYS 116 24.100 37.560 35.250 1.00 0.00 N +ATOM 1736 H LYS 116 23.320 37.420 34.630 1.00 0.00 H +ATOM 1737 CA LYS 116 23.860 38.130 36.610 1.00 0.00 C +ATOM 1738 HA LYS 116 24.640 38.860 36.860 1.00 0.00 H +ATOM 1739 CB LYS 116 22.510 38.920 36.560 1.00 0.00 C +ATOM 1740 HB1 LYS 116 21.760 38.160 36.370 1.00 0.00 H +ATOM 1741 HB2 LYS 116 22.390 39.580 35.700 1.00 0.00 H +ATOM 1742 CG LYS 116 22.220 39.720 37.910 1.00 0.00 C +ATOM 1743 HG1 LYS 116 22.820 40.620 37.950 1.00 0.00 H +ATOM 1744 HG2 LYS 116 22.500 39.040 38.720 1.00 0.00 H +ATOM 1745 CD LYS 116 20.730 40.000 38.120 1.00 0.00 C +ATOM 1746 HD1 LYS 116 20.100 39.120 38.170 1.00 0.00 H +ATOM 1747 HD2 LYS 116 20.430 40.640 37.290 1.00 0.00 H +ATOM 1748 CE LYS 116 20.480 40.790 39.430 1.00 0.00 C +ATOM 1749 HE1 LYS 116 20.980 41.750 39.320 1.00 0.00 H +ATOM 1750 HE2 LYS 116 20.840 40.220 40.290 1.00 0.00 H +ATOM 1751 NZ LYS 116 19.040 41.010 39.640 1.00 0.00 N +ATOM 1752 HZ1 LYS 116 18.700 41.720 39.010 1.00 0.00 H +ATOM 1753 HZ2 LYS 116 18.540 40.130 39.630 1.00 0.00 H +ATOM 1754 HZ3 LYS 116 18.950 41.410 40.560 1.00 0.00 H +ATOM 1755 C LYS 116 23.930 37.010 37.670 1.00 0.00 C +ATOM 1756 O LYS 116 23.060 36.150 37.730 1.00 0.00 O +ATOM 1757 N GLY 117 25.010 37.050 38.430 1.00 0.00 N +ATOM 1758 H GLY 117 25.700 37.770 38.270 1.00 0.00 H +ATOM 1759 CA GLY 117 25.190 36.050 39.460 1.00 0.00 C +ATOM 1760 HA1 GLY 117 24.230 35.850 39.940 1.00 0.00 H +ATOM 1761 HA2 GLY 117 25.860 36.490 40.200 1.00 0.00 H +ATOM 1762 C GLY 117 25.630 34.640 39.010 1.00 0.00 C +ATOM 1763 O GLY 117 25.840 33.760 39.840 1.00 0.00 O +ATOM 1764 N THR 118 25.710 34.430 37.760 1.00 0.00 N +ATOM 1765 H THR 118 25.500 35.210 37.150 1.00 0.00 H +ATOM 1766 CA THR 118 26.280 33.170 37.140 1.00 0.00 C +ATOM 1767 HA THR 118 25.950 32.310 37.700 1.00 0.00 H +ATOM 1768 CB THR 118 25.850 33.130 35.680 1.00 0.00 C +ATOM 1769 HB THR 118 26.460 33.880 35.170 1.00 0.00 H +ATOM 1770 CG2 THR 118 25.960 31.790 34.940 1.00 0.00 C +ATOM 1771 HG21 THR 118 25.240 31.120 35.400 1.00 0.00 H +ATOM 1772 HG22 THR 118 25.720 32.020 33.900 1.00 0.00 H +ATOM 1773 HG23 THR 118 26.970 31.390 34.960 1.00 0.00 H +ATOM 1774 OG1 THR 118 24.580 33.570 35.470 1.00 0.00 O +ATOM 1775 HG1 THR 118 24.580 33.760 34.530 1.00 0.00 H +ATOM 1776 C THR 118 27.780 33.170 37.290 1.00 0.00 C +ATOM 1777 O THR 118 28.420 34.220 37.540 1.00 0.00 O +ATOM 1778 N ASP 119 28.350 32.000 37.250 1.00 0.00 N +ATOM 1779 H ASP 119 27.760 31.230 36.980 1.00 0.00 H +ATOM 1780 CA ASP 119 29.870 31.950 37.390 1.00 0.00 C +ATOM 1781 HA ASP 119 30.180 32.770 38.040 1.00 0.00 H +ATOM 1782 CB ASP 119 30.310 30.610 37.950 1.00 0.00 C +ATOM 1783 HB1 ASP 119 29.920 29.800 37.330 1.00 0.00 H +ATOM 1784 HB2 ASP 119 29.980 30.440 38.970 1.00 0.00 H +ATOM 1785 CG ASP 119 31.840 30.440 37.880 1.00 0.00 C +ATOM 1786 OD1 ASP 119 32.610 31.330 38.350 1.00 0.00 O +ATOM 1787 OD2 ASP 119 32.280 29.430 37.330 1.00 0.00 O +ATOM 1788 C ASP 119 30.560 32.370 36.040 1.00 0.00 C +ATOM 1789 O ASP 119 30.970 31.540 35.160 1.00 0.00 O +ATOM 1790 N VAL 120 30.720 33.680 35.880 1.00 0.00 N +ATOM 1791 H VAL 120 30.300 34.330 36.530 1.00 0.00 H +ATOM 1792 CA VAL 120 31.060 34.130 34.500 1.00 0.00 C +ATOM 1793 HA VAL 120 30.520 33.450 33.860 1.00 0.00 H +ATOM 1794 CB VAL 120 30.530 35.570 34.300 1.00 0.00 C +ATOM 1795 HB VAL 120 30.840 35.850 33.290 1.00 0.00 H +ATOM 1796 CG1 VAL 120 28.940 35.550 34.190 1.00 0.00 C +ATOM 1797 HG11 VAL 120 28.630 34.910 33.360 1.00 0.00 H +ATOM 1798 HG12 VAL 120 28.490 35.220 35.130 1.00 0.00 H +ATOM 1799 HG13 VAL 120 28.640 36.570 33.980 1.00 0.00 H +ATOM 1800 CG2 VAL 120 30.980 36.610 35.320 1.00 0.00 C +ATOM 1801 HG21 VAL 120 30.670 37.650 35.210 1.00 0.00 H +ATOM 1802 HG22 VAL 120 30.690 36.280 36.320 1.00 0.00 H +ATOM 1803 HG23 VAL 120 32.060 36.760 35.280 1.00 0.00 H +ATOM 1804 C VAL 120 32.530 34.020 34.220 1.00 0.00 C +ATOM 1805 O VAL 120 32.910 34.290 33.100 1.00 0.00 O +ATOM 1806 N GLN 121 33.370 33.560 35.150 1.00 0.00 N +ATOM 1807 H GLN 121 33.040 33.470 36.100 1.00 0.00 H +ATOM 1808 CA GLN 121 34.790 33.250 34.960 1.00 0.00 C +ATOM 1809 HA GLN 121 35.160 34.180 34.540 1.00 0.00 H +ATOM 1810 CB GLN 121 35.380 33.020 36.350 1.00 0.00 C +ATOM 1811 HB1 GLN 121 35.020 32.010 36.540 1.00 0.00 H +ATOM 1812 HB2 GLN 121 34.970 33.600 37.180 1.00 0.00 H +ATOM 1813 CG GLN 121 36.900 33.240 36.470 1.00 0.00 C +ATOM 1814 HG1 GLN 121 37.140 34.310 36.410 1.00 0.00 H +ATOM 1815 HG2 GLN 121 37.440 32.780 35.640 1.00 0.00 H +ATOM 1816 CD GLN 121 37.370 32.740 37.860 1.00 0.00 C +ATOM 1817 OE1 GLN 121 36.850 33.070 38.900 1.00 0.00 O +ATOM 1818 NE2 GLN 121 38.300 31.850 37.980 1.00 0.00 N +ATOM 1819 HE21 GLN 121 38.720 31.440 37.160 1.00 0.00 H +ATOM 1820 HE22 GLN 121 38.620 31.660 38.920 1.00 0.00 H +ATOM 1821 C GLN 121 35.000 32.050 34.010 1.00 0.00 C +ATOM 1822 O GLN 121 36.010 31.930 33.300 1.00 0.00 O +ATOM 1823 N ALA 122 34.000 31.180 33.830 1.00 0.00 N +ATOM 1824 H ALA 122 33.250 31.250 34.510 1.00 0.00 H +ATOM 1825 CA ALA 122 33.970 30.040 32.890 1.00 0.00 C +ATOM 1826 HA ALA 122 34.740 29.350 33.240 1.00 0.00 H +ATOM 1827 CB ALA 122 32.580 29.350 33.040 1.00 0.00 C +ATOM 1828 HB1 ALA 122 32.530 28.350 32.600 1.00 0.00 H +ATOM 1829 HB2 ALA 122 32.260 29.160 34.060 1.00 0.00 H +ATOM 1830 HB3 ALA 122 31.820 29.860 32.450 1.00 0.00 H +ATOM 1831 C ALA 122 34.330 30.540 31.500 1.00 0.00 C +ATOM 1832 O ALA 122 35.110 29.950 30.780 1.00 0.00 O +ATOM 1833 N TRP 123 33.840 31.770 31.100 1.00 0.00 N +ATOM 1834 H TRP 123 33.130 32.110 31.730 1.00 0.00 H +ATOM 1835 CA TRP 123 33.950 32.410 29.780 1.00 0.00 C +ATOM 1836 HA TRP 123 33.920 31.590 29.070 1.00 0.00 H +ATOM 1837 CB TRP 123 32.810 33.410 29.430 1.00 0.00 C +ATOM 1838 HB1 TRP 123 32.910 33.800 28.420 1.00 0.00 H +ATOM 1839 HB2 TRP 123 33.070 34.260 30.070 1.00 0.00 H +ATOM 1840 CG TRP 123 31.370 32.960 29.500 1.00 0.00 C +ATOM 1841 CD1 TRP 123 30.560 33.010 30.610 1.00 0.00 C +ATOM 1842 HD1 TRP 123 30.880 33.520 31.500 1.00 0.00 H +ATOM 1843 NE1 TRP 123 29.430 32.230 30.390 1.00 0.00 N +ATOM 1844 HE1 TRP 123 28.720 32.000 31.060 1.00 0.00 H +ATOM 1845 CE2 TRP 123 29.360 31.840 29.050 1.00 0.00 C +ATOM 1846 CZ2 TRP 123 28.330 31.240 28.260 1.00 0.00 C +ATOM 1847 HZ2 TRP 123 27.410 30.890 28.710 1.00 0.00 H +ATOM 1848 CH2 TRP 123 28.670 30.810 26.950 1.00 0.00 C +ATOM 1849 HH2 TRP 123 27.990 30.310 26.280 1.00 0.00 H +ATOM 1850 CZ3 TRP 123 29.900 31.280 26.360 1.00 0.00 C +ATOM 1851 HZ3 TRP 123 30.110 31.020 25.330 1.00 0.00 H +ATOM 1852 CE3 TRP 123 30.880 31.960 27.090 1.00 0.00 C +ATOM 1853 HE3 TRP 123 31.820 32.290 26.660 1.00 0.00 H +ATOM 1854 CD2 TRP 123 30.600 32.290 28.480 1.00 0.00 C +ATOM 1855 C TRP 123 35.400 33.000 29.600 1.00 0.00 C +ATOM 1856 O TRP 123 35.660 33.420 28.500 1.00 0.00 O +ATOM 1857 N ILE 124 36.220 32.970 30.590 1.00 0.00 N +ATOM 1858 H ILE 124 35.920 32.550 31.460 1.00 0.00 H +ATOM 1859 CA ILE 124 37.660 33.350 30.670 1.00 0.00 C +ATOM 1860 HA ILE 124 38.000 33.430 29.640 1.00 0.00 H +ATOM 1861 CB ILE 124 37.840 34.710 31.360 1.00 0.00 C +ATOM 1862 HB ILE 124 38.890 34.970 31.490 1.00 0.00 H +ATOM 1863 CG2 ILE 124 37.370 35.780 30.390 1.00 0.00 C +ATOM 1864 HG21 ILE 124 37.470 36.790 30.780 1.00 0.00 H +ATOM 1865 HG22 ILE 124 37.810 35.640 29.400 1.00 0.00 H +ATOM 1866 HG23 ILE 124 36.280 35.780 30.290 1.00 0.00 H +ATOM 1867 CG1 ILE 124 37.160 34.790 32.700 1.00 0.00 C +ATOM 1868 HG11 ILE 124 37.510 33.940 33.270 1.00 0.00 H +ATOM 1869 HG12 ILE 124 36.110 34.870 32.410 1.00 0.00 H +ATOM 1870 CD ILE 124 37.520 36.020 33.490 1.00 0.00 C +ATOM 1871 HD1 ILE 124 37.100 35.900 34.480 1.00 0.00 H +ATOM 1872 HD2 ILE 124 38.590 36.070 33.640 1.00 0.00 H +ATOM 1873 HD3 ILE 124 37.290 36.980 33.030 1.00 0.00 H +ATOM 1874 C ILE 124 38.550 32.260 31.360 1.00 0.00 C +ATOM 1875 O ILE 124 39.720 32.470 31.640 1.00 0.00 O +ATOM 1876 N ARG 125 38.020 31.080 31.590 1.00 0.00 N +ATOM 1877 H ARG 125 37.030 30.960 31.460 1.00 0.00 H +ATOM 1878 CA ARG 125 38.870 29.910 32.080 1.00 0.00 C +ATOM 1879 HA ARG 125 39.700 30.210 32.710 1.00 0.00 H +ATOM 1880 CB ARG 125 37.970 28.920 32.890 1.00 0.00 C +ATOM 1881 HB1 ARG 125 38.490 27.960 32.840 1.00 0.00 H +ATOM 1882 HB2 ARG 125 37.010 28.680 32.420 1.00 0.00 H +ATOM 1883 CG ARG 125 37.670 29.260 34.350 1.00 0.00 C +ATOM 1884 HG1 ARG 125 36.730 29.820 34.350 1.00 0.00 H +ATOM 1885 HG2 ARG 125 38.410 29.910 34.810 1.00 0.00 H +ATOM 1886 CD ARG 125 37.470 28.060 35.330 1.00 0.00 C +ATOM 1887 HD1 ARG 125 38.470 27.660 35.450 1.00 0.00 H +ATOM 1888 HD2 ARG 125 36.700 27.370 34.970 1.00 0.00 H +ATOM 1889 NE ARG 125 37.020 28.600 36.610 1.00 0.00 N +ATOM 1890 HE ARG 125 37.680 28.680 37.370 1.00 0.00 H +ATOM 1891 CZ ARG 125 35.770 29.070 36.900 1.00 0.00 C +ATOM 1892 NH1 ARG 125 34.780 28.870 36.100 1.00 0.00 N +ATOM 1893 HH11 ARG 125 34.880 28.230 35.330 1.00 0.00 H +ATOM 1894 HH12 ARG 125 33.880 29.270 36.330 1.00 0.00 H +ATOM 1895 NH2 ARG 125 35.580 29.800 37.940 1.00 0.00 N +ATOM 1896 HH21 ARG 125 36.330 29.910 38.610 1.00 0.00 H +ATOM 1897 HH22 ARG 125 34.600 30.040 38.000 1.00 0.00 H +ATOM 1898 C ARG 125 39.480 29.200 30.860 1.00 0.00 C +ATOM 1899 O ARG 125 38.880 29.220 29.800 1.00 0.00 O +ATOM 1900 N GLY 126 40.620 28.570 31.060 1.00 0.00 N +ATOM 1901 H GLY 126 40.990 28.580 32.000 1.00 0.00 H +ATOM 1902 CA GLY 126 41.470 28.100 29.950 1.00 0.00 C +ATOM 1903 HA1 GLY 126 40.840 27.570 29.240 1.00 0.00 H +ATOM 1904 HA2 GLY 126 42.250 27.420 30.310 1.00 0.00 H +ATOM 1905 C GLY 126 42.150 29.240 29.140 1.00 0.00 C +ATOM 1906 O GLY 126 42.100 29.180 27.970 1.00 0.00 O +ATOM 1907 N CYS 127 42.730 30.230 29.810 1.00 0.00 N +ATOM 1908 H CYS 127 42.650 30.140 30.820 1.00 0.00 H +ATOM 1909 CA CYS 127 43.440 31.510 29.340 1.00 0.00 C +ATOM 1910 HA CYS 127 43.670 31.450 28.280 1.00 0.00 H +ATOM 1911 CB CYS 127 42.540 32.740 29.580 1.00 0.00 C +ATOM 1912 HB1 CYS 127 43.120 33.630 29.330 1.00 0.00 H +ATOM 1913 HB2 CYS 127 42.320 32.930 30.630 1.00 0.00 H +ATOM 1914 SG CYS 127 40.970 32.770 28.620 1.00 0.00 S +ATOM 1915 C CYS 127 44.750 31.760 30.060 1.00 0.00 C +ATOM 1916 O CYS 127 44.920 31.450 31.260 1.00 0.00 O +ATOM 1917 N ARG 128 45.790 32.330 29.360 1.00 0.00 N +ATOM 1918 H ARG 128 45.750 32.330 28.350 1.00 0.00 H +ATOM 1919 CA ARG 128 46.960 32.920 29.990 1.00 0.00 C +ATOM 1920 HA ARG 128 47.320 32.170 30.690 1.00 0.00 H +ATOM 1921 CB ARG 128 48.150 32.970 29.000 1.00 0.00 C +ATOM 1922 HB1 ARG 128 49.030 33.400 29.480 1.00 0.00 H +ATOM 1923 HB2 ARG 128 47.870 33.560 28.120 1.00 0.00 H +ATOM 1924 CG ARG 128 48.590 31.600 28.470 1.00 0.00 C +ATOM 1925 HG1 ARG 128 47.730 31.160 27.980 1.00 0.00 H +ATOM 1926 HG2 ARG 128 48.740 30.870 29.270 1.00 0.00 H +ATOM 1927 CD ARG 128 49.780 31.560 27.460 1.00 0.00 C +ATOM 1928 HD1 ARG 128 49.480 32.340 26.760 1.00 0.00 H +ATOM 1929 HD2 ARG 128 49.850 30.560 27.040 1.00 0.00 H +ATOM 1930 NE ARG 128 50.990 31.870 28.220 1.00 0.00 N +ATOM 1931 HE ARG 128 50.810 32.200 29.150 1.00 0.00 H +ATOM 1932 CZ ARG 128 52.280 31.740 27.770 1.00 0.00 C +ATOM 1933 NH1 ARG 128 52.570 31.550 26.490 1.00 0.00 N +ATOM 1934 HH11 ARG 128 51.870 31.380 25.780 1.00 0.00 H +ATOM 1935 HH12 ARG 128 53.510 31.360 26.180 1.00 0.00 H +ATOM 1936 NH2 ARG 128 53.260 31.880 28.560 1.00 0.00 N +ATOM 1937 HH21 ARG 128 53.140 32.180 29.520 1.00 0.00 H +ATOM 1938 HH22 ARG 128 54.200 31.820 28.190 1.00 0.00 H +ATOM 1939 C ARG 128 46.750 34.280 30.710 1.00 0.00 C +ATOM 1940 O ARG 128 47.390 35.270 30.330 1.00 0.00 O +ATOM 1941 N LEU 129 45.890 34.280 31.730 1.00 0.00 N +ATOM 1942 H LEU 129 45.510 33.360 31.920 1.00 0.00 H +ATOM 1943 CA LEU 129 45.180 35.400 32.340 1.00 0.00 C +ATOM 1944 HA LEU 129 45.560 36.340 31.940 1.00 0.00 H +ATOM 1945 CB LEU 129 43.720 35.240 31.840 1.00 0.00 C +ATOM 1946 HB1 LEU 129 43.390 34.210 31.960 1.00 0.00 H +ATOM 1947 HB2 LEU 129 43.620 35.280 30.750 1.00 0.00 H +ATOM 1948 CG LEU 129 42.550 36.130 32.340 1.00 0.00 C +ATOM 1949 HG LEU 129 42.250 35.950 33.380 1.00 0.00 H +ATOM 1950 CD1 LEU 129 42.930 37.620 32.230 1.00 0.00 C +ATOM 1951 HD11 LEU 129 42.200 38.190 32.810 1.00 0.00 H +ATOM 1952 HD12 LEU 129 43.930 37.750 32.630 1.00 0.00 H +ATOM 1953 HD13 LEU 129 42.920 37.990 31.210 1.00 0.00 H +ATOM 1954 CD2 LEU 129 41.430 35.950 31.400 1.00 0.00 C +ATOM 1955 HD21 LEU 129 41.630 36.290 30.390 1.00 0.00 H +ATOM 1956 HD22 LEU 129 41.110 34.910 31.360 1.00 0.00 H +ATOM 1957 HD23 LEU 129 40.580 36.480 31.830 1.00 0.00 H +ATOM 1958 C LEU 129 45.320 35.350 33.840 1.00 0.00 C +ATOM 1959 OC1 LEU 129 44.730 34.390 34.420 1.00 0.00 O +ATOM 1960 OC2 LEU 129 46.110 36.110 34.420 1.00 0.00 O +ATOM 1961 OW SOL 130 50.930 21.970 49.450 1.00 0.00 O +ATOM 1962 HW1 SOL 130 51.820 22.030 49.110 1.00 0.00 H +ATOM 1963 HW2 SOL 130 50.680 22.870 49.620 1.00 0.00 H +ATOM 1964 OW SOL 131 36.130 20.140 1.220 1.00 0.00 O +ATOM 1965 HW1 SOL 131 35.800 19.680 1.990 1.00 0.00 H +ATOM 1966 HW2 SOL 131 37.080 20.090 1.300 1.00 0.00 H +ATOM 1967 OW SOL 132 26.960 28.210 48.360 1.00 0.00 O +ATOM 1968 HW1 SOL 132 27.290 29.080 48.560 1.00 0.00 H +ATOM 1969 HW2 SOL 132 26.680 28.270 47.440 1.00 0.00 H +ATOM 1970 OW SOL 133 19.460 28.220 13.940 1.00 0.00 O +ATOM 1971 HW1 SOL 133 19.100 27.340 14.050 1.00 0.00 H +ATOM 1972 HW2 SOL 133 19.150 28.500 13.080 1.00 0.00 H +ATOM 1973 OW SOL 134 61.960 32.480 42.780 1.00 0.00 O +ATOM 1974 HW1 SOL 134 62.840 32.710 42.480 1.00 0.00 H +ATOM 1975 HW2 SOL 134 62.100 32.010 43.600 1.00 0.00 H +ATOM 1976 OW SOL 135 42.560 56.210 11.650 1.00 0.00 O +ATOM 1977 HW1 SOL 135 41.840 56.620 11.180 1.00 0.00 H +ATOM 1978 HW2 SOL 135 43.240 56.880 11.690 1.00 0.00 H +ATOM 1979 OW SOL 136 21.680 33.860 7.250 1.00 0.00 O +ATOM 1980 HW1 SOL 136 22.570 34.200 7.350 1.00 0.00 H +ATOM 1981 HW2 SOL 136 21.130 34.460 7.760 1.00 0.00 H +ATOM 1982 OW SOL 137 60.490 22.320 43.430 1.00 0.00 O +ATOM 1983 HW1 SOL 137 61.110 21.860 44.000 1.00 0.00 H +ATOM 1984 HW2 SOL 137 60.720 23.240 43.530 1.00 0.00 H +ATOM 1985 OW SOL 138 12.900 17.230 17.540 1.00 0.00 O +ATOM 1986 HW1 SOL 138 11.970 17.170 17.330 1.00 0.00 H +ATOM 1987 HW2 SOL 138 13.230 17.930 16.980 1.00 0.00 H +ATOM 1988 OW SOL 139 50.960 57.850 47.100 1.00 0.00 O +ATOM 1989 HW1 SOL 139 51.660 58.220 46.560 1.00 0.00 H +ATOM 1990 HW2 SOL 139 51.410 57.340 47.770 1.00 0.00 H +ATOM 1991 OW SOL 140 62.470 16.750 2.630 1.00 0.00 O +ATOM 1992 HW1 SOL 140 61.690 17.240 2.380 1.00 0.00 H +ATOM 1993 HW2 SOL 140 63.080 17.420 2.940 1.00 0.00 H +ATOM 1994 OW SOL 141 47.310 33.060 17.820 1.00 0.00 O +ATOM 1995 HW1 SOL 141 46.650 33.730 17.960 1.00 0.00 H +ATOM 1996 HW2 SOL 141 47.690 32.900 18.680 1.00 0.00 H +ATOM 1997 OW SOL 142 61.350 11.170 52.300 1.00 0.00 O +ATOM 1998 HW1 SOL 142 61.320 12.130 52.320 1.00 0.00 H +ATOM 1999 HW2 SOL 142 62.270 10.950 52.420 1.00 0.00 H +ATOM 2000 OW SOL 143 34.640 11.020 35.390 1.00 0.00 O +ATOM 2001 HW1 SOL 143 34.040 10.280 35.330 1.00 0.00 H +ATOM 2002 HW2 SOL 143 35.210 10.800 36.130 1.00 0.00 H +ATOM 2003 OW SOL 144 12.150 31.420 32.440 1.00 0.00 O +ATOM 2004 HW1 SOL 144 11.580 32.190 32.430 1.00 0.00 H +ATOM 2005 HW2 SOL 144 12.610 31.460 31.600 1.00 0.00 H +ATOM 2006 OW SOL 145 9.790 25.010 29.690 1.00 0.00 O +ATOM 2007 HW1 SOL 145 9.610 25.800 30.210 1.00 0.00 H +ATOM 2008 HW2 SOL 145 9.800 25.320 28.780 1.00 0.00 H +ATOM 2009 OW SOL 146 65.445 60.610 46.340 1.00 0.00 O +ATOM 2010 HW1 SOL 146 65.855 61.130 45.650 1.00 0.00 H +ATOM 2011 HW2 SOL 146 65.745 59.710 46.170 1.00 0.00 H +ATOM 2012 OW SOL 147 57.530 23.530 36.010 1.00 0.00 O +ATOM 2013 HW1 SOL 147 57.980 22.960 36.630 1.00 0.00 H +ATOM 2014 HW2 SOL 147 58.180 24.170 35.750 1.00 0.00 H +ATOM 2015 OW SOL 148 62.650 14.310 7.680 1.00 0.00 O +ATOM 2016 HW1 SOL 148 62.030 13.710 7.270 1.00 0.00 H +ATOM 2017 HW2 SOL 148 63.060 13.790 8.370 1.00 0.00 H +ATOM 2018 OW SOL 149 4.440 2.590 33.890 1.00 0.00 O +ATOM 2019 HW1 SOL 149 4.500 2.550 32.940 1.00 0.00 H +ATOM 2020 HW2 SOL 149 5.060 3.280 34.140 1.00 0.00 H +ATOM 2021 OW SOL 150 15.180 30.800 5.930 1.00 0.00 O +ATOM 2022 HW1 SOL 150 14.700 31.620 5.780 1.00 0.00 H +ATOM 2023 HW2 SOL 150 15.760 30.730 5.170 1.00 0.00 H +ATOM 2024 OW SOL 151 13.740 14.540 10.690 1.00 0.00 O +ATOM 2025 HW1 SOL 151 13.610 14.780 9.770 1.00 0.00 H +ATOM 2026 HW2 SOL 151 13.920 15.370 11.130 1.00 0.00 H +ATOM 2027 OW SOL 152 22.940 60.790 4.110 1.00 0.00 O +ATOM 2028 HW1 SOL 152 23.790 61.240 4.090 1.00 0.00 H +ATOM 2029 HW2 SOL 152 22.300 61.500 4.190 1.00 0.00 H +ATOM 2030 OW SOL 153 58.660 53.480 7.380 1.00 0.00 O +ATOM 2031 HW1 SOL 153 58.810 52.860 6.680 1.00 0.00 H +ATOM 2032 HW2 SOL 153 57.720 53.650 7.360 1.00 0.00 H +ATOM 2033 OW SOL 154 5.530 14.150 48.390 1.00 0.00 O +ATOM 2034 HW1 SOL 154 5.140 14.980 48.140 1.00 0.00 H +ATOM 2035 HW2 SOL 154 5.880 13.780 47.580 1.00 0.00 H +ATOM 2036 OW SOL 155 51.420 20.530 25.780 1.00 0.00 O +ATOM 2037 HW1 SOL 155 50.930 20.740 26.580 1.00 0.00 H +ATOM 2038 HW2 SOL 155 51.200 19.620 25.600 1.00 0.00 H +ATOM 2039 OW SOL 156 46.220 30.720 17.000 1.00 0.00 O +ATOM 2040 HW1 SOL 156 46.660 31.560 17.110 1.00 0.00 H +ATOM 2041 HW2 SOL 156 46.450 30.230 17.790 1.00 0.00 H +ATOM 2042 OW SOL 157 20.012 54.079 0.335 1.00 0.00 O +ATOM 2043 HW1 SOL 157 19.652 54.459 -0.465 1.00 0.00 H +ATOM 2044 HW2 SOL 157 20.542 53.339 0.035 1.00 0.00 H +ATOM 2045 OW SOL 158 33.410 36.760 3.750 1.00 0.00 O +ATOM 2046 HW1 SOL 158 32.990 36.500 2.930 1.00 0.00 H +ATOM 2047 HW2 SOL 158 34.130 37.330 3.480 1.00 0.00 H +ATOM 2048 OW SOL 159 52.600 39.540 10.380 1.00 0.00 O +ATOM 2049 HW1 SOL 159 51.900 40.070 10.770 1.00 0.00 H +ATOM 2050 HW2 SOL 159 53.100 39.220 11.130 1.00 0.00 H +ATOM 2051 OW SOL 160 63.170 25.510 47.290 1.00 0.00 O +ATOM 2052 HW1 SOL 160 63.020 25.410 46.350 1.00 0.00 H +ATOM 2053 HW2 SOL 160 62.570 24.890 47.710 1.00 0.00 H +ATOM 2054 OW SOL 161 28.100 60.480 0.630 1.00 0.00 O +ATOM 2055 HW1 SOL 161 27.540 59.860 1.100 1.00 0.00 H +ATOM 2056 HW2 SOL 161 27.800 61.340 0.900 1.00 0.00 H +ATOM 2057 OW SOL 162 46.340 1.620 45.340 1.00 0.00 O +ATOM 2058 HW1 SOL 162 46.730 1.730 46.210 1.00 0.00 H +ATOM 2059 HW2 SOL 162 46.870 0.950 44.920 1.00 0.00 H +ATOM 2060 OW SOL 163 39.090 15.560 19.340 1.00 0.00 O +ATOM 2061 HW1 SOL 163 39.110 15.520 18.380 1.00 0.00 H +ATOM 2062 HW2 SOL 163 40.000 15.710 19.590 1.00 0.00 H +ATOM 2063 OW SOL 164 19.530 17.440 36.350 1.00 0.00 O +ATOM 2064 HW1 SOL 164 19.800 17.100 37.200 1.00 0.00 H +ATOM 2065 HW2 SOL 164 20.070 18.230 36.220 1.00 0.00 H +ATOM 2066 OW SOL 165 57.280 32.620 16.300 1.00 0.00 O +ATOM 2067 HW1 SOL 165 56.840 31.780 16.460 1.00 0.00 H +ATOM 2068 HW2 SOL 165 58.210 32.430 16.420 1.00 0.00 H +ATOM 2069 OW SOL 166 28.770 21.050 14.450 1.00 0.00 O +ATOM 2070 HW1 SOL 166 29.210 20.520 15.110 1.00 0.00 H +ATOM 2071 HW2 SOL 166 29.100 21.940 14.590 1.00 0.00 H +ATOM 2072 OW SOL 167 51.050 33.150 35.420 1.00 0.00 O +ATOM 2073 HW1 SOL 167 50.690 32.580 34.730 1.00 0.00 H +ATOM 2074 HW2 SOL 167 51.310 32.540 36.110 1.00 0.00 H +ATOM 2075 OW SOL 168 39.560 39.960 7.090 1.00 0.00 O +ATOM 2076 HW1 SOL 168 38.640 39.870 7.340 1.00 0.00 H +ATOM 2077 HW2 SOL 168 40.040 39.870 7.920 1.00 0.00 H +ATOM 2078 OW SOL 169 36.520 58.910 23.510 1.00 0.00 O +ATOM 2079 HW1 SOL 169 36.230 59.280 22.680 1.00 0.00 H +ATOM 2080 HW2 SOL 169 37.430 58.650 23.340 1.00 0.00 H +ATOM 2081 OW SOL 170 18.770 45.860 38.920 1.00 0.00 O +ATOM 2082 HW1 SOL 170 18.690 45.490 38.040 1.00 0.00 H +ATOM 2083 HW2 SOL 170 19.350 46.620 38.800 1.00 0.00 H +ATOM 2084 OW SOL 171 14.150 19.650 23.040 1.00 0.00 O +ATOM 2085 HW1 SOL 171 14.780 20.000 22.420 1.00 0.00 H +ATOM 2086 HW2 SOL 171 13.350 20.140 22.870 1.00 0.00 H +ATOM 2087 OW SOL 172 7.830 7.950 33.230 1.00 0.00 O +ATOM 2088 HW1 SOL 172 7.750 8.540 32.480 1.00 0.00 H +ATOM 2089 HW2 SOL 172 7.910 8.540 33.990 1.00 0.00 H +ATOM 2090 OW SOL 173 62.240 7.520 15.330 1.00 0.00 O +ATOM 2091 HW1 SOL 173 62.050 6.790 14.750 1.00 0.00 H +ATOM 2092 HW2 SOL 173 61.380 7.820 15.630 1.00 0.00 H +ATOM 2093 OW SOL 174 3.570 6.880 42.860 1.00 0.00 O +ATOM 2094 HW1 SOL 174 3.140 6.860 43.720 1.00 0.00 H +ATOM 2095 HW2 SOL 174 3.690 7.810 42.670 1.00 0.00 H +ATOM 2096 OW SOL 175 18.040 8.160 12.170 1.00 0.00 O +ATOM 2097 HW1 SOL 175 18.720 8.510 12.750 1.00 0.00 H +ATOM 2098 HW2 SOL 175 17.220 8.430 12.590 1.00 0.00 H +ATOM 2099 OW SOL 176 65.455 56.120 30.950 1.00 0.00 O +ATOM 2100 HW1 SOL 176 66.205 56.120 30.350 1.00 0.00 H +ATOM 2101 HW2 SOL 176 65.815 56.470 31.770 1.00 0.00 H +ATOM 2102 OW SOL 177 9.650 55.060 8.680 1.00 0.00 O +ATOM 2103 HW1 SOL 177 9.800 55.150 7.740 1.00 0.00 H +ATOM 2104 HW2 SOL 177 10.130 54.270 8.920 1.00 0.00 H +ATOM 2105 OW SOL 178 60.400 6.630 41.370 1.00 0.00 O +ATOM 2106 HW1 SOL 178 60.620 7.370 41.930 1.00 0.00 H +ATOM 2107 HW2 SOL 178 60.700 5.860 41.840 1.00 0.00 H +ATOM 2108 OW SOL 179 26.550 60.620 13.440 1.00 0.00 O +ATOM 2109 HW1 SOL 179 27.260 61.180 13.760 1.00 0.00 H +ATOM 2110 HW2 SOL 179 26.870 59.730 13.600 1.00 0.00 H +ATOM 2111 OW SOL 180 57.950 60.190 21.500 1.00 0.00 O +ATOM 2112 HW1 SOL 180 57.560 61.010 21.780 1.00 0.00 H +ATOM 2113 HW2 SOL 180 58.170 59.740 22.320 1.00 0.00 H +ATOM 2114 OW SOL 181 1.890 30.740 37.310 1.00 0.00 O +ATOM 2115 HW1 SOL 181 2.390 30.510 36.520 1.00 0.00 H +ATOM 2116 HW2 SOL 181 2.190 31.620 37.540 1.00 0.00 H +ATOM 2117 OW SOL 182 11.110 13.220 11.860 1.00 0.00 O +ATOM 2118 HW1 SOL 182 10.490 12.610 12.260 1.00 0.00 H +ATOM 2119 HW2 SOL 182 11.510 13.680 12.600 1.00 0.00 H +ATOM 2120 OW SOL 183 46.860 47.450 2.910 1.00 0.00 O +ATOM 2121 HW1 SOL 183 46.620 46.550 3.140 1.00 0.00 H +ATOM 2122 HW2 SOL 183 46.150 47.750 2.350 1.00 0.00 H +ATOM 2123 OW SOL 184 57.600 53.870 30.180 1.00 0.00 O +ATOM 2124 HW1 SOL 184 57.650 52.960 29.880 1.00 0.00 H +ATOM 2125 HW2 SOL 184 56.770 53.920 30.650 1.00 0.00 H +ATOM 2126 OW SOL 185 3.260 3.940 21.870 1.00 0.00 O +ATOM 2127 HW1 SOL 185 3.880 4.300 21.240 1.00 0.00 H +ATOM 2128 HW2 SOL 185 2.610 4.640 22.000 1.00 0.00 H +ATOM 2129 OW SOL 186 48.830 8.760 40.730 1.00 0.00 O +ATOM 2130 HW1 SOL 186 48.710 9.280 41.530 1.00 0.00 H +ATOM 2131 HW2 SOL 186 49.670 9.050 40.380 1.00 0.00 H +ATOM 2132 OW SOL 187 60.150 29.440 4.970 1.00 0.00 O +ATOM 2133 HW1 SOL 187 59.420 28.950 5.350 1.00 0.00 H +ATOM 2134 HW2 SOL 187 60.100 29.240 4.030 1.00 0.00 H +ATOM 2135 OW SOL 188 12.640 10.900 19.910 1.00 0.00 O +ATOM 2136 HW1 SOL 188 12.150 10.110 19.700 1.00 0.00 H +ATOM 2137 HW2 SOL 188 13.430 10.580 20.350 1.00 0.00 H +ATOM 2138 OW SOL 189 21.470 36.900 10.690 1.00 0.00 O +ATOM 2139 HW1 SOL 189 20.820 37.550 10.930 1.00 0.00 H +ATOM 2140 HW2 SOL 189 21.230 36.120 11.190 1.00 0.00 H +ATOM 2141 OW SOL 190 31.180 13.430 31.170 1.00 0.00 O +ATOM 2142 HW1 SOL 190 30.430 13.710 30.640 1.00 0.00 H +ATOM 2143 HW2 SOL 190 31.810 13.090 30.540 1.00 0.00 H +ATOM 2144 OW SOL 191 -0.020 24.540 24.810 1.00 0.00 O +ATOM 2145 HW1 SOL 191 0.400 24.450 25.670 1.00 0.00 H +ATOM 2146 HW2 SOL 191 0.510 25.190 24.350 1.00 0.00 H +ATOM 2147 OW SOL 192 43.250 7.460 13.650 1.00 0.00 O +ATOM 2148 HW1 SOL 192 43.580 6.740 13.110 1.00 0.00 H +ATOM 2149 HW2 SOL 192 43.670 7.330 14.500 1.00 0.00 H +ATOM 2150 OW SOL 193 27.500 29.040 35.970 1.00 0.00 O +ATOM 2151 HW1 SOL 193 28.070 29.150 35.210 1.00 0.00 H +ATOM 2152 HW2 SOL 193 27.060 28.200 35.830 1.00 0.00 H +ATOM 2153 OW SOL 194 35.220 60.740 18.620 1.00 0.00 O +ATOM 2154 HW1 SOL 194 35.250 60.230 17.800 1.00 0.00 H +ATOM 2155 HW2 SOL 194 35.820 61.470 18.470 1.00 0.00 H +ATOM 2156 OW SOL 195 55.260 8.060 19.410 1.00 0.00 O +ATOM 2157 HW1 SOL 195 54.400 8.470 19.520 1.00 0.00 H +ATOM 2158 HW2 SOL 195 55.340 7.930 18.460 1.00 0.00 H +ATOM 2159 OW SOL 196 3.570 25.290 43.400 1.00 0.00 O +ATOM 2160 HW1 SOL 196 3.430 24.350 43.500 1.00 0.00 H +ATOM 2161 HW2 SOL 196 3.340 25.470 42.490 1.00 0.00 H +ATOM 2162 OW SOL 197 11.740 10.980 13.760 1.00 0.00 O +ATOM 2163 HW1 SOL 197 11.420 10.580 14.570 1.00 0.00 H +ATOM 2164 HW2 SOL 197 10.960 11.370 13.370 1.00 0.00 H +ATOM 2165 OW SOL 198 16.970 51.240 42.670 1.00 0.00 O +ATOM 2166 HW1 SOL 198 17.050 50.470 42.120 1.00 0.00 H +ATOM 2167 HW2 SOL 198 17.530 51.900 42.250 1.00 0.00 H +ATOM 2168 OW SOL 199 9.320 11.600 12.850 1.00 0.00 O +ATOM 2169 HW1 SOL 199 8.690 11.380 12.150 1.00 0.00 H +ATOM 2170 HW2 SOL 199 9.100 10.990 13.550 1.00 0.00 H +ATOM 2171 OW SOL 200 47.650 54.420 18.560 1.00 0.00 O +ATOM 2172 HW1 SOL 200 47.480 53.480 18.420 1.00 0.00 H +ATOM 2173 HW2 SOL 200 47.810 54.490 19.500 1.00 0.00 H +ATOM 2174 OW SOL 201 40.380 5.160 22.090 1.00 0.00 O +ATOM 2175 HW1 SOL 201 41.160 4.710 21.750 1.00 0.00 H +ATOM 2176 HW2 SOL 201 39.650 4.570 21.890 1.00 0.00 H +ATOM 2177 OW SOL 202 32.340 4.830 44.350 1.00 0.00 O +ATOM 2178 HW1 SOL 202 32.540 3.930 44.090 1.00 0.00 H +ATOM 2179 HW2 SOL 202 32.630 4.890 45.260 1.00 0.00 H +ATOM 2180 OW SOL 203 38.070 14.620 8.200 1.00 0.00 O +ATOM 2181 HW1 SOL 203 38.390 13.750 8.450 1.00 0.00 H +ATOM 2182 HW2 SOL 203 37.460 14.860 8.890 1.00 0.00 H +ATOM 2183 OW SOL 204 19.500 11.240 49.500 1.00 0.00 O +ATOM 2184 HW1 SOL 204 20.090 11.220 50.250 1.00 0.00 H +ATOM 2185 HW2 SOL 204 20.090 11.200 48.740 1.00 0.00 H +ATOM 2186 OW SOL 205 3.680 20.700 40.790 1.00 0.00 O +ATOM 2187 HW1 SOL 205 3.790 20.800 39.840 1.00 0.00 H +ATOM 2188 HW2 SOL 205 2.900 21.210 41.000 1.00 0.00 H +ATOM 2189 OW SOL 206 8.930 38.830 11.920 1.00 0.00 O +ATOM 2190 HW1 SOL 206 8.030 38.740 12.240 1.00 0.00 H +ATOM 2191 HW2 SOL 206 8.960 39.700 11.520 1.00 0.00 H +ATOM 2192 OW SOL 207 60.350 37.730 33.320 1.00 0.00 O +ATOM 2193 HW1 SOL 207 61.280 37.520 33.430 1.00 0.00 H +ATOM 2194 HW2 SOL 207 60.350 38.640 33.010 1.00 0.00 H +ATOM 2195 OW SOL 208 52.990 0.240 12.120 1.00 0.00 O +ATOM 2196 HW1 SOL 208 53.870 0.060 12.460 1.00 0.00 H +ATOM 2197 HW2 SOL 208 53.060 0.040 11.180 1.00 0.00 H +ATOM 2198 OW SOL 209 37.260 10.670 37.330 1.00 0.00 O +ATOM 2199 HW1 SOL 209 36.550 10.770 37.970 1.00 0.00 H +ATOM 2200 HW2 SOL 209 37.790 9.960 37.680 1.00 0.00 H +ATOM 2201 OW SOL 210 37.770 6.800 2.270 1.00 0.00 O +ATOM 2202 HW1 SOL 210 38.680 7.080 2.280 1.00 0.00 H +ATOM 2203 HW2 SOL 210 37.270 7.610 2.150 1.00 0.00 H +ATOM 2204 OW SOL 211 3.520 58.800 53.350 1.00 0.00 O +ATOM 2205 HW1 SOL 211 4.430 58.840 53.070 1.00 0.00 H +ATOM 2206 HW2 SOL 211 3.570 58.630 54.290 1.00 0.00 H +ATOM 2207 OW SOL 212 14.690 43.270 17.610 1.00 0.00 O +ATOM 2208 HW1 SOL 212 15.120 42.550 17.150 1.00 0.00 H +ATOM 2209 HW2 SOL 212 15.330 43.980 17.600 1.00 0.00 H +ATOM 2210 OW SOL 213 19.100 57.970 -0.040 1.00 0.00 O +ATOM 2211 HW1 SOL 213 19.770 57.980 0.640 1.00 0.00 H +ATOM 2212 HW2 SOL 213 18.270 57.970 0.440 1.00 0.00 H +ATOM 2213 OW SOL 214 31.800 25.120 23.090 1.00 0.00 O +ATOM 2214 HW1 SOL 214 31.020 24.850 22.610 1.00 0.00 H +ATOM 2215 HW2 SOL 214 31.990 24.390 23.680 1.00 0.00 H +ATOM 2216 OW SOL 215 52.980 7.960 21.840 1.00 0.00 O +ATOM 2217 HW1 SOL 215 53.460 7.150 21.990 1.00 0.00 H +ATOM 2218 HW2 SOL 215 52.290 7.720 21.220 1.00 0.00 H +ATOM 2219 OW SOL 216 47.580 60.760 29.950 1.00 0.00 O +ATOM 2220 HW1 SOL 216 47.380 60.540 30.870 1.00 0.00 H +ATOM 2221 HW2 SOL 216 47.460 61.700 29.900 1.00 0.00 H +ATOM 2222 OW SOL 217 13.880 17.430 7.590 1.00 0.00 O +ATOM 2223 HW1 SOL 217 13.240 17.960 8.070 1.00 0.00 H +ATOM 2224 HW2 SOL 217 13.640 16.520 7.800 1.00 0.00 H +ATOM 2225 OW SOL 218 50.160 47.200 17.150 1.00 0.00 O +ATOM 2226 HW1 SOL 218 50.320 48.150 17.130 1.00 0.00 H +ATOM 2227 HW2 SOL 218 49.970 47.010 18.070 1.00 0.00 H +ATOM 2228 OW SOL 219 51.520 2.620 0.640 1.00 0.00 O +ATOM 2229 HW1 SOL 219 51.420 1.940 1.300 1.00 0.00 H +ATOM 2230 HW2 SOL 219 51.670 2.150 -0.180 1.00 0.00 H +ATOM 2231 OW SOL 220 49.140 53.230 24.660 1.00 0.00 O +ATOM 2232 HW1 SOL 220 48.990 53.810 23.910 1.00 0.00 H +ATOM 2233 HW2 SOL 220 49.820 52.620 24.360 1.00 0.00 H +ATOM 2234 OW SOL 221 6.840 56.550 49.500 1.00 0.00 O +ATOM 2235 HW1 SOL 221 7.270 55.940 50.100 1.00 0.00 H +ATOM 2236 HW2 SOL 221 7.230 56.370 48.640 1.00 0.00 H +ATOM 2237 OW SOL 222 33.010 42.840 9.700 1.00 0.00 O +ATOM 2238 HW1 SOL 222 32.750 42.480 10.540 1.00 0.00 H +ATOM 2239 HW2 SOL 222 33.500 43.630 9.910 1.00 0.00 H +ATOM 2240 OW SOL 223 63.930 46.580 52.060 1.00 0.00 O +ATOM 2241 HW1 SOL 223 64.020 45.990 51.310 1.00 0.00 H +ATOM 2242 HW2 SOL 223 64.810 46.640 52.430 1.00 0.00 H +ATOM 2243 OW SOL 224 32.000 28.800 42.200 1.00 0.00 O +ATOM 2244 HW1 SOL 224 31.130 29.180 42.100 1.00 0.00 H +ATOM 2245 HW2 SOL 224 32.590 29.550 42.240 1.00 0.00 H +ATOM 2246 OW SOL 225 30.190 17.550 9.600 1.00 0.00 O +ATOM 2247 HW1 SOL 225 30.930 17.070 9.990 1.00 0.00 H +ATOM 2248 HW2 SOL 225 30.350 17.520 8.660 1.00 0.00 H +ATOM 2249 OW SOL 226 35.620 52.260 0.880 1.00 0.00 O +ATOM 2250 HW1 SOL 226 34.820 52.060 1.370 1.00 0.00 H +ATOM 2251 HW2 SOL 226 35.440 53.080 0.430 1.00 0.00 H +ATOM 2252 OW SOL 227 35.890 26.610 53.210 1.00 0.00 O +ATOM 2253 HW1 SOL 227 35.680 25.710 53.450 1.00 0.00 H +ATOM 2254 HW2 SOL 227 35.260 26.830 52.520 1.00 0.00 H +ATOM 2255 OW SOL 228 10.710 35.870 24.080 1.00 0.00 O +ATOM 2256 HW1 SOL 228 10.070 35.840 23.380 1.00 0.00 H +ATOM 2257 HW2 SOL 228 11.510 36.210 23.660 1.00 0.00 H +ATOM 2258 OW SOL 229 63.920 33.060 41.160 1.00 0.00 O +ATOM 2259 HW1 SOL 229 63.620 33.970 41.200 1.00 0.00 H +ATOM 2260 HW2 SOL 229 63.360 32.650 40.500 1.00 0.00 H +ATOM 2261 OW SOL 230 23.290 56.270 41.160 1.00 0.00 O +ATOM 2262 HW1 SOL 230 22.670 56.530 40.490 1.00 0.00 H +ATOM 2263 HW2 SOL 230 24.000 56.910 41.090 1.00 0.00 H +ATOM 2264 OW SOL 231 50.950 52.460 47.790 1.00 0.00 O +ATOM 2265 HW1 SOL 231 51.530 51.700 47.730 1.00 0.00 H +ATOM 2266 HW2 SOL 231 50.560 52.400 48.660 1.00 0.00 H +ATOM 2267 OW SOL 232 60.900 8.630 49.220 1.00 0.00 O +ATOM 2268 HW1 SOL 232 60.250 9.330 49.310 1.00 0.00 H +ATOM 2269 HW2 SOL 232 60.740 8.050 49.970 1.00 0.00 H +ATOM 2270 OW SOL 233 6.120 28.700 53.180 1.00 0.00 O +ATOM 2271 HW1 SOL 233 6.680 29.480 53.170 1.00 0.00 H +ATOM 2272 HW2 SOL 233 6.130 28.400 52.270 1.00 0.00 H +ATOM 2273 OW SOL 234 58.710 55.800 9.350 1.00 0.00 O +ATOM 2274 HW1 SOL 234 57.810 55.540 9.170 1.00 0.00 H +ATOM 2275 HW2 SOL 234 58.700 56.070 10.270 1.00 0.00 H +ATOM 2276 OW SOL 235 46.470 10.480 46.250 1.00 0.00 O +ATOM 2277 HW1 SOL 235 46.020 10.320 45.420 1.00 0.00 H +ATOM 2278 HW2 SOL 235 46.400 9.650 46.730 1.00 0.00 H +ATOM 2279 OW SOL 236 6.970 59.340 1.660 1.00 0.00 O +ATOM 2280 HW1 SOL 236 6.990 59.320 0.700 1.00 0.00 H +ATOM 2281 HW2 SOL 236 6.570 60.180 1.870 1.00 0.00 H +ATOM 2282 OW SOL 237 8.200 58.120 41.520 1.00 0.00 O +ATOM 2283 HW1 SOL 237 8.700 57.370 41.200 1.00 0.00 H +ATOM 2284 HW2 SOL 237 8.000 58.630 40.730 1.00 0.00 H +ATOM 2285 OW SOL 238 43.970 26.660 11.570 1.00 0.00 O +ATOM 2286 HW1 SOL 238 43.960 25.780 11.950 1.00 0.00 H +ATOM 2287 HW2 SOL 238 44.520 27.170 12.170 1.00 0.00 H +ATOM 2288 OW SOL 239 32.870 18.380 36.780 1.00 0.00 O +ATOM 2289 HW1 SOL 239 32.390 17.740 37.310 1.00 0.00 H +ATOM 2290 HW2 SOL 239 33.790 18.150 36.910 1.00 0.00 H +ATOM 2291 OW SOL 240 53.900 21.790 22.180 1.00 0.00 O +ATOM 2292 HW1 SOL 240 54.460 21.260 21.620 1.00 0.00 H +ATOM 2293 HW2 SOL 240 54.490 22.430 22.580 1.00 0.00 H +ATOM 2294 OW SOL 241 47.850 46.300 44.280 1.00 0.00 O +ATOM 2295 HW1 SOL 241 47.580 47.190 44.510 1.00 0.00 H +ATOM 2296 HW2 SOL 241 47.230 45.730 44.730 1.00 0.00 H +ATOM 2297 OW SOL 242 37.430 15.170 46.160 1.00 0.00 O +ATOM 2298 HW1 SOL 242 37.280 14.340 46.620 1.00 0.00 H +ATOM 2299 HW2 SOL 242 38.060 14.950 45.470 1.00 0.00 H +ATOM 2300 OW SOL 243 50.850 42.920 4.090 1.00 0.00 O +ATOM 2301 HW1 SOL 243 50.410 42.190 3.660 1.00 0.00 H +ATOM 2302 HW2 SOL 243 51.500 42.510 4.650 1.00 0.00 H +ATOM 2303 OW SOL 244 28.570 45.440 48.050 1.00 0.00 O +ATOM 2304 HW1 SOL 244 27.760 44.990 47.800 1.00 0.00 H +ATOM 2305 HW2 SOL 244 29.180 44.730 48.270 1.00 0.00 H +ATOM 2306 OW SOL 245 46.820 42.260 35.320 1.00 0.00 O +ATOM 2307 HW1 SOL 245 47.350 42.560 36.060 1.00 0.00 H +ATOM 2308 HW2 SOL 245 47.360 42.430 34.550 1.00 0.00 H +ATOM 2309 OW SOL 246 61.380 53.410 49.070 1.00 0.00 O +ATOM 2310 HW1 SOL 246 61.510 53.880 49.890 1.00 0.00 H +ATOM 2311 HW2 SOL 246 60.740 52.730 49.280 1.00 0.00 H +ATOM 2312 OW SOL 247 8.800 24.910 11.990 1.00 0.00 O +ATOM 2313 HW1 SOL 247 9.490 25.260 12.550 1.00 0.00 H +ATOM 2314 HW2 SOL 247 8.110 25.580 12.010 1.00 0.00 H +ATOM 2315 OW SOL 248 40.570 44.150 9.800 1.00 0.00 O +ATOM 2316 HW1 SOL 248 41.030 44.980 9.910 1.00 0.00 H +ATOM 2317 HW2 SOL 248 39.760 44.390 9.350 1.00 0.00 H +ATOM 2318 OW SOL 249 12.680 61.340 42.360 1.00 0.00 O +ATOM 2319 HW1 SOL 249 12.860 60.850 41.550 1.00 0.00 H +ATOM 2320 HW2 SOL 249 12.660 60.670 43.040 1.00 0.00 H +ATOM 2321 OW SOL 250 62.800 13.700 39.530 1.00 0.00 O +ATOM 2322 HW1 SOL 250 62.920 14.200 38.720 1.00 0.00 H +ATOM 2323 HW2 SOL 250 63.450 13.000 39.480 1.00 0.00 H +ATOM 2324 OW SOL 251 20.740 25.980 2.910 1.00 0.00 O +ATOM 2325 HW1 SOL 251 19.990 26.320 3.400 1.00 0.00 H +ATOM 2326 HW2 SOL 251 21.420 26.640 3.030 1.00 0.00 H +ATOM 2327 OW SOL 252 39.860 33.950 2.820 1.00 0.00 O +ATOM 2328 HW1 SOL 252 39.410 33.810 3.660 1.00 0.00 H +ATOM 2329 HW2 SOL 252 39.310 34.560 2.340 1.00 0.00 H +ATOM 2330 OW SOL 253 55.970 56.140 1.580 1.00 0.00 O +ATOM 2331 HW1 SOL 253 55.530 56.900 1.970 1.00 0.00 H +ATOM 2332 HW2 SOL 253 55.720 56.170 0.660 1.00 0.00 H +ATOM 2333 OW SOL 254 17.740 37.580 9.690 1.00 0.00 O +ATOM 2334 HW1 SOL 254 17.860 36.840 9.100 1.00 0.00 H +ATOM 2335 HW2 SOL 254 17.250 38.230 9.190 1.00 0.00 H +ATOM 2336 OW SOL 255 13.100 42.880 42.840 1.00 0.00 O +ATOM 2337 HW1 SOL 255 13.300 43.480 43.550 1.00 0.00 H +ATOM 2338 HW2 SOL 255 12.550 43.390 42.240 1.00 0.00 H +ATOM 2339 OW SOL 256 10.190 15.390 3.140 1.00 0.00 O +ATOM 2340 HW1 SOL 256 10.880 15.480 2.480 1.00 0.00 H +ATOM 2341 HW2 SOL 256 10.620 14.970 3.880 1.00 0.00 H +ATOM 2342 OW SOL 257 15.040 37.470 2.560 1.00 0.00 O +ATOM 2343 HW1 SOL 257 14.990 38.400 2.380 1.00 0.00 H +ATOM 2344 HW2 SOL 257 14.140 37.220 2.790 1.00 0.00 H +ATOM 2345 OW SOL 258 60.620 0.230 38.220 1.00 0.00 O +ATOM 2346 HW1 SOL 258 60.650 0.670 37.370 1.00 0.00 H +ATOM 2347 HW2 SOL 258 61.350 0.600 38.720 1.00 0.00 H +ATOM 2348 OW SOL 259 46.670 29.310 23.810 1.00 0.00 O +ATOM 2349 HW1 SOL 259 46.060 28.920 23.180 1.00 0.00 H +ATOM 2350 HW2 SOL 259 46.960 30.130 23.400 1.00 0.00 H +ATOM 2351 OW SOL 260 29.740 5.680 42.210 1.00 0.00 O +ATOM 2352 HW1 SOL 260 29.820 5.010 41.520 1.00 0.00 H +ATOM 2353 HW2 SOL 260 30.100 5.250 42.990 1.00 0.00 H +ATOM 2354 OW SOL 261 55.930 44.990 18.390 1.00 0.00 O +ATOM 2355 HW1 SOL 261 55.300 45.670 18.170 1.00 0.00 H +ATOM 2356 HW2 SOL 261 55.700 44.730 19.280 1.00 0.00 H +ATOM 2357 OW SOL 262 5.810 45.020 50.310 1.00 0.00 O +ATOM 2358 HW1 SOL 262 6.420 45.110 49.570 1.00 0.00 H +ATOM 2359 HW2 SOL 262 6.360 44.700 51.030 1.00 0.00 H +ATOM 2360 OW SOL 263 34.960 29.900 8.370 1.00 0.00 O +ATOM 2361 HW1 SOL 263 34.910 29.890 7.420 1.00 0.00 H +ATOM 2362 HW2 SOL 263 34.450 30.670 8.640 1.00 0.00 H +ATOM 2363 OW SOL 264 3.700 55.400 24.870 1.00 0.00 O +ATOM 2364 HW1 SOL 264 3.750 55.910 25.680 1.00 0.00 H +ATOM 2365 HW2 SOL 264 4.130 55.950 24.220 1.00 0.00 H +ATOM 2366 OW SOL 265 14.980 28.480 33.630 1.00 0.00 O +ATOM 2367 HW1 SOL 265 15.710 28.840 34.140 1.00 0.00 H +ATOM 2368 HW2 SOL 265 14.780 27.650 34.050 1.00 0.00 H +ATOM 2369 OW SOL 266 8.560 0.940 42.880 1.00 0.00 O +ATOM 2370 HW1 SOL 266 8.450 1.310 43.760 1.00 0.00 H +ATOM 2371 HW2 SOL 266 9.500 0.770 42.810 1.00 0.00 H +ATOM 2372 OW SOL 267 30.890 38.410 15.740 1.00 0.00 O +ATOM 2373 HW1 SOL 267 30.870 38.350 16.700 1.00 0.00 H +ATOM 2374 HW2 SOL 267 31.300 37.600 15.460 1.00 0.00 H +ATOM 2375 OW SOL 268 29.060 2.380 18.120 1.00 0.00 O +ATOM 2376 HW1 SOL 268 28.750 3.270 18.250 1.00 0.00 H +ATOM 2377 HW2 SOL 268 29.780 2.280 18.730 1.00 0.00 H +ATOM 2378 OW SOL 269 63.760 16.440 41.210 1.00 0.00 O +ATOM 2379 HW1 SOL 269 62.860 16.550 40.920 1.00 0.00 H +ATOM 2380 HW2 SOL 269 63.860 15.500 41.350 1.00 0.00 H +ATOM 2381 OW SOL 270 49.300 5.400 43.240 1.00 0.00 O +ATOM 2382 HW1 SOL 270 48.570 4.900 43.600 1.00 0.00 H +ATOM 2383 HW2 SOL 270 49.960 5.400 43.930 1.00 0.00 H +ATOM 2384 OW SOL 271 18.090 9.450 4.990 1.00 0.00 O +ATOM 2385 HW1 SOL 271 17.820 8.580 4.710 1.00 0.00 H +ATOM 2386 HW2 SOL 271 18.800 9.290 5.620 1.00 0.00 H +ATOM 2387 OW SOL 272 48.630 3.100 30.710 1.00 0.00 O +ATOM 2388 HW1 SOL 272 48.780 2.400 31.350 1.00 0.00 H +ATOM 2389 HW2 SOL 272 48.250 3.810 31.220 1.00 0.00 H +ATOM 2390 OW SOL 273 37.180 55.640 33.880 1.00 0.00 O +ATOM 2391 HW1 SOL 273 37.850 55.070 34.250 1.00 0.00 H +ATOM 2392 HW2 SOL 273 37.150 56.390 34.480 1.00 0.00 H +ATOM 2393 OW SOL 274 28.520 33.590 50.350 1.00 0.00 O +ATOM 2394 HW1 SOL 274 28.900 34.450 50.570 1.00 0.00 H +ATOM 2395 HW2 SOL 274 27.730 33.790 49.860 1.00 0.00 H +ATOM 2396 OW SOL 275 49.070 54.160 6.310 1.00 0.00 O +ATOM 2397 HW1 SOL 275 50.000 53.940 6.330 1.00 0.00 H +ATOM 2398 HW2 SOL 275 48.630 53.310 6.350 1.00 0.00 H +ATOM 2399 OW SOL 276 65.140 7.650 30.060 1.00 0.00 O +ATOM 2400 HW1 SOL 276 64.340 7.700 30.590 1.00 0.00 H +ATOM 2401 HW2 SOL 276 65.070 8.400 29.460 1.00 0.00 H +ATOM 2402 OW SOL 277 5.370 54.210 13.450 1.00 0.00 O +ATOM 2403 HW1 SOL 277 4.750 54.940 13.540 1.00 0.00 H +ATOM 2404 HW2 SOL 277 5.100 53.580 14.110 1.00 0.00 H +ATOM 2405 OW SOL 278 14.410 35.740 36.730 1.00 0.00 O +ATOM 2406 HW1 SOL 278 14.070 35.250 35.980 1.00 0.00 H +ATOM 2407 HW2 SOL 278 14.360 36.660 36.460 1.00 0.00 H +ATOM 2408 OW SOL 279 12.760 18.210 2.970 1.00 0.00 O +ATOM 2409 HW1 SOL 279 12.740 17.290 2.730 1.00 0.00 H +ATOM 2410 HW2 SOL 279 13.430 18.270 3.650 1.00 0.00 H +ATOM 2411 OW SOL 280 57.280 16.290 35.260 1.00 0.00 O +ATOM 2412 HW1 SOL 280 57.240 16.790 34.440 1.00 0.00 H +ATOM 2413 HW2 SOL 280 56.420 16.430 35.660 1.00 0.00 H +ATOM 2414 OW SOL 281 57.110 37.240 2.160 1.00 0.00 O +ATOM 2415 HW1 SOL 281 58.020 37.130 2.440 1.00 0.00 H +ATOM 2416 HW2 SOL 281 56.600 36.930 2.910 1.00 0.00 H +ATOM 2417 OW SOL 282 51.100 37.070 25.230 1.00 0.00 O +ATOM 2418 HW1 SOL 282 51.450 36.180 25.270 1.00 0.00 H +ATOM 2419 HW2 SOL 282 50.500 37.130 25.970 1.00 0.00 H +ATOM 2420 OW SOL 283 33.580 59.310 14.800 1.00 0.00 O +ATOM 2421 HW1 SOL 283 34.210 58.900 14.200 1.00 0.00 H +ATOM 2422 HW2 SOL 283 33.150 59.990 14.270 1.00 0.00 H +ATOM 2423 OW SOL 284 9.340 21.480 18.090 1.00 0.00 O +ATOM 2424 HW1 SOL 284 8.580 20.900 18.170 1.00 0.00 H +ATOM 2425 HW2 SOL 284 9.640 21.600 18.990 1.00 0.00 H +ATOM 2426 OW SOL 285 53.090 6.830 40.080 1.00 0.00 O +ATOM 2427 HW1 SOL 285 53.150 7.680 39.640 1.00 0.00 H +ATOM 2428 HW2 SOL 285 52.160 6.610 40.040 1.00 0.00 H +ATOM 2429 OW SOL 286 11.490 1.770 46.940 1.00 0.00 O +ATOM 2430 HW1 SOL 286 11.710 2.460 47.570 1.00 0.00 H +ATOM 2431 HW2 SOL 286 12.030 1.960 46.170 1.00 0.00 H +ATOM 2432 OW SOL 287 16.080 47.050 12.820 1.00 0.00 O +ATOM 2433 HW1 SOL 287 15.250 46.920 12.360 1.00 0.00 H +ATOM 2434 HW2 SOL 287 15.960 46.630 13.670 1.00 0.00 H +ATOM 2435 OW SOL 288 63.390 4.620 25.780 1.00 0.00 O +ATOM 2436 HW1 SOL 288 63.640 3.930 25.170 1.00 0.00 H +ATOM 2437 HW2 SOL 288 64.210 5.020 26.040 1.00 0.00 H +ATOM 2438 OW SOL 289 60.020 1.460 40.860 1.00 0.00 O +ATOM 2439 HW1 SOL 289 59.490 2.240 40.700 1.00 0.00 H +ATOM 2440 HW2 SOL 289 59.670 0.800 40.260 1.00 0.00 H +ATOM 2441 OW SOL 290 22.390 3.810 3.140 1.00 0.00 O +ATOM 2442 HW1 SOL 290 22.630 3.410 2.310 1.00 0.00 H +ATOM 2443 HW2 SOL 290 23.030 4.510 3.270 1.00 0.00 H +ATOM 2444 OW SOL 291 62.990 28.580 42.680 1.00 0.00 O +ATOM 2445 HW1 SOL 291 63.700 28.000 42.400 1.00 0.00 H +ATOM 2446 HW2 SOL 291 63.090 28.640 43.630 1.00 0.00 H +ATOM 2447 OW SOL 292 60.150 23.410 20.860 1.00 0.00 O +ATOM 2448 HW1 SOL 292 61.050 23.710 20.950 1.00 0.00 H +ATOM 2449 HW2 SOL 292 60.160 22.850 20.090 1.00 0.00 H +ATOM 2450 OW SOL 293 44.090 36.280 44.540 1.00 0.00 O +ATOM 2451 HW1 SOL 293 43.610 35.990 43.770 1.00 0.00 H +ATOM 2452 HW2 SOL 293 43.420 36.480 45.190 1.00 0.00 H +ATOM 2453 OW SOL 294 60.740 38.990 17.740 1.00 0.00 O +ATOM 2454 HW1 SOL 294 61.340 38.840 17.010 1.00 0.00 H +ATOM 2455 HW2 SOL 294 61.310 39.270 18.460 1.00 0.00 H +ATOM 2456 OW SOL 295 12.650 49.020 35.990 1.00 0.00 O +ATOM 2457 HW1 SOL 295 12.400 49.610 36.700 1.00 0.00 H +ATOM 2458 HW2 SOL 295 13.430 48.560 36.320 1.00 0.00 H +ATOM 2459 OW SOL 296 38.350 29.070 3.420 1.00 0.00 O +ATOM 2460 HW1 SOL 296 37.980 28.190 3.320 1.00 0.00 H +ATOM 2461 HW2 SOL 296 38.900 29.010 4.210 1.00 0.00 H +ATOM 2462 OW SOL 297 45.670 15.740 11.540 1.00 0.00 O +ATOM 2463 HW1 SOL 297 45.930 15.290 10.730 1.00 0.00 H +ATOM 2464 HW2 SOL 297 46.500 15.910 11.990 1.00 0.00 H +ATOM 2465 OW SOL 298 19.320 1.930 24.890 1.00 0.00 O +ATOM 2466 HW1 SOL 298 19.580 2.210 25.770 1.00 0.00 H +ATOM 2467 HW2 SOL 298 18.370 1.880 24.930 1.00 0.00 H +ATOM 2468 OW SOL 299 62.860 56.980 42.650 1.00 0.00 O +ATOM 2469 HW1 SOL 299 62.570 57.130 41.750 1.00 0.00 H +ATOM 2470 HW2 SOL 299 63.010 57.850 43.010 1.00 0.00 H +ATOM 2471 OW SOL 300 30.670 61.120 1.890 1.00 0.00 O +ATOM 2472 HW1 SOL 300 30.680 61.960 1.440 1.00 0.00 H +ATOM 2473 HW2 SOL 300 30.030 60.590 1.410 1.00 0.00 H +ATOM 2474 OW SOL 301 28.530 18.090 52.500 1.00 0.00 O +ATOM 2475 HW1 SOL 301 28.070 17.540 51.860 1.00 0.00 H +ATOM 2476 HW2 SOL 301 27.830 18.450 53.050 1.00 0.00 H +ATOM 2477 OW SOL 302 38.340 4.830 52.770 1.00 0.00 O +ATOM 2478 HW1 SOL 302 39.070 4.210 52.870 1.00 0.00 H +ATOM 2479 HW2 SOL 302 38.200 5.190 53.640 1.00 0.00 H +ATOM 2480 OW SOL 303 3.810 20.800 37.990 1.00 0.00 O +ATOM 2481 HW1 SOL 303 3.430 20.670 37.120 1.00 0.00 H +ATOM 2482 HW2 SOL 303 4.320 21.610 37.910 1.00 0.00 H +ATOM 2483 OW SOL 304 6.210 18.600 4.580 1.00 0.00 O +ATOM 2484 HW1 SOL 304 6.890 18.230 5.150 1.00 0.00 H +ATOM 2485 HW2 SOL 304 5.510 17.950 4.600 1.00 0.00 H +ATOM 2486 OW SOL 305 14.910 28.340 48.120 1.00 0.00 O +ATOM 2487 HW1 SOL 305 15.730 28.080 48.550 1.00 0.00 H +ATOM 2488 HW2 SOL 305 15.200 28.900 47.390 1.00 0.00 H +ATOM 2489 OW SOL 306 57.760 53.450 10.860 1.00 0.00 O +ATOM 2490 HW1 SOL 306 58.420 53.940 10.370 1.00 0.00 H +ATOM 2491 HW2 SOL 306 58.040 52.540 10.800 1.00 0.00 H +ATOM 2492 OW SOL 307 39.540 54.370 31.460 1.00 0.00 O +ATOM 2493 HW1 SOL 307 39.720 55.020 32.140 1.00 0.00 H +ATOM 2494 HW2 SOL 307 39.390 54.880 30.670 1.00 0.00 H +ATOM 2495 OW SOL 308 15.360 36.420 12.190 1.00 0.00 O +ATOM 2496 HW1 SOL 308 15.350 36.120 13.100 1.00 0.00 H +ATOM 2497 HW2 SOL 308 16.080 35.930 11.790 1.00 0.00 H +ATOM 2498 OW SOL 309 34.280 14.250 9.700 1.00 0.00 O +ATOM 2499 HW1 SOL 309 34.160 13.410 10.150 1.00 0.00 H +ATOM 2500 HW2 SOL 309 34.190 14.030 8.770 1.00 0.00 H +ATOM 2501 OW SOL 310 38.900 40.500 13.280 1.00 0.00 O +ATOM 2502 HW1 SOL 310 39.350 41.100 12.680 1.00 0.00 H +ATOM 2503 HW2 SOL 310 39.520 40.390 14.000 1.00 0.00 H +ATOM 2504 OW SOL 311 1.340 53.960 19.280 1.00 0.00 O +ATOM 2505 HW1 SOL 311 0.540 54.350 19.630 1.00 0.00 H +ATOM 2506 HW2 SOL 311 1.900 53.820 20.040 1.00 0.00 H +ATOM 2507 OW SOL 312 63.170 31.670 34.880 1.00 0.00 O +ATOM 2508 HW1 SOL 312 62.970 32.360 34.250 1.00 0.00 H +ATOM 2509 HW2 SOL 312 62.310 31.330 35.140 1.00 0.00 H +ATOM 2510 OW SOL 313 47.940 20.000 42.900 1.00 0.00 O +ATOM 2511 HW1 SOL 313 47.040 19.870 43.200 1.00 0.00 H +ATOM 2512 HW2 SOL 313 47.880 20.730 42.280 1.00 0.00 H +ATOM 2513 OW SOL 314 28.010 19.430 12.460 1.00 0.00 O +ATOM 2514 HW1 SOL 314 28.200 18.610 12.910 1.00 0.00 H +ATOM 2515 HW2 SOL 314 28.040 20.100 13.140 1.00 0.00 H +ATOM 2516 OW SOL 315 62.880 5.670 5.400 1.00 0.00 O +ATOM 2517 HW1 SOL 315 62.850 6.470 4.880 1.00 0.00 H +ATOM 2518 HW2 SOL 315 62.280 5.070 4.950 1.00 0.00 H +ATOM 2519 OW SOL 316 7.030 48.410 52.900 1.00 0.00 O +ATOM 2520 HW1 SOL 316 7.890 47.990 52.970 1.00 0.00 H +ATOM 2521 HW2 SOL 316 7.220 49.280 52.540 1.00 0.00 H +ATOM 2522 OW SOL 317 57.300 18.810 21.700 1.00 0.00 O +ATOM 2523 HW1 SOL 317 57.100 18.920 22.630 1.00 0.00 H +ATOM 2524 HW2 SOL 317 56.520 19.120 21.250 1.00 0.00 H +ATOM 2525 OW SOL 318 63.470 35.120 38.430 1.00 0.00 O +ATOM 2526 HW1 SOL 318 63.110 35.340 39.290 1.00 0.00 H +ATOM 2527 HW2 SOL 318 63.110 34.260 38.220 1.00 0.00 H +ATOM 2528 OW SOL 319 11.680 14.860 53.380 1.00 0.00 O +ATOM 2529 HW1 SOL 319 11.230 15.300 52.660 1.00 0.00 H +ATOM 2530 HW2 SOL 319 11.460 13.930 53.260 1.00 0.00 H +ATOM 2531 OW SOL 320 24.950 23.750 22.580 1.00 0.00 O +ATOM 2532 HW1 SOL 320 25.390 23.930 23.410 1.00 0.00 H +ATOM 2533 HW2 SOL 320 24.570 22.880 22.690 1.00 0.00 H +ATOM 2534 OW SOL 321 43.250 38.040 7.530 1.00 0.00 O +ATOM 2535 HW1 SOL 321 42.780 38.760 7.110 1.00 0.00 H +ATOM 2536 HW2 SOL 321 44.110 38.400 7.750 1.00 0.00 H +ATOM 2537 OW SOL 322 51.920 36.790 13.120 1.00 0.00 O +ATOM 2538 HW1 SOL 322 51.070 37.190 12.910 1.00 0.00 H +ATOM 2539 HW2 SOL 322 51.730 35.860 13.200 1.00 0.00 H +ATOM 2540 OW SOL 323 15.240 20.370 26.970 1.00 0.00 O +ATOM 2541 HW1 SOL 323 15.070 19.930 27.800 1.00 0.00 H +ATOM 2542 HW2 SOL 323 14.380 20.620 26.640 1.00 0.00 H +ATOM 2543 OW SOL 324 7.560 21.460 49.830 1.00 0.00 O +ATOM 2544 HW1 SOL 324 8.430 21.860 49.920 1.00 0.00 H +ATOM 2545 HW2 SOL 324 7.160 21.930 49.100 1.00 0.00 H +ATOM 2546 OW SOL 325 56.590 21.760 46.010 1.00 0.00 O +ATOM 2547 HW1 SOL 325 57.000 21.340 45.250 1.00 0.00 H +ATOM 2548 HW2 SOL 325 57.310 21.900 46.630 1.00 0.00 H +ATOM 2549 OW SOL 326 59.820 6.080 9.070 1.00 0.00 O +ATOM 2550 HW1 SOL 326 59.680 6.790 9.690 1.00 0.00 H +ATOM 2551 HW2 SOL 326 60.660 6.280 8.650 1.00 0.00 H +ATOM 2552 OW SOL 327 34.230 43.350 48.000 1.00 0.00 O +ATOM 2553 HW1 SOL 327 34.620 43.540 48.850 1.00 0.00 H +ATOM 2554 HW2 SOL 327 33.730 44.140 47.780 1.00 0.00 H +ATOM 2555 OW SOL 328 17.120 33.810 5.400 1.00 0.00 O +ATOM 2556 HW1 SOL 328 17.890 33.990 4.860 1.00 0.00 H +ATOM 2557 HW2 SOL 328 17.430 33.210 6.080 1.00 0.00 H +ATOM 2558 OW SOL 329 40.010 12.720 45.710 1.00 0.00 O +ATOM 2559 HW1 SOL 329 40.600 12.800 44.950 1.00 0.00 H +ATOM 2560 HW2 SOL 329 39.190 12.390 45.340 1.00 0.00 H +ATOM 2561 OW SOL 330 1.320 44.750 3.630 1.00 0.00 O +ATOM 2562 HW1 SOL 330 1.110 45.670 3.770 1.00 0.00 H +ATOM 2563 HW2 SOL 330 1.370 44.370 4.510 1.00 0.00 H +ATOM 2564 OW SOL 331 52.550 52.170 43.250 1.00 0.00 O +ATOM 2565 HW1 SOL 331 52.990 51.550 42.670 1.00 0.00 H +ATOM 2566 HW2 SOL 331 52.200 52.840 42.650 1.00 0.00 H +ATOM 2567 OW SOL 332 41.660 28.820 51.510 1.00 0.00 O +ATOM 2568 HW1 SOL 332 42.270 28.310 50.980 1.00 0.00 H +ATOM 2569 HW2 SOL 332 41.440 28.240 52.240 1.00 0.00 H +ATOM 2570 OW SOL 333 40.160 7.980 43.090 1.00 0.00 O +ATOM 2571 HW1 SOL 333 39.290 8.270 43.370 1.00 0.00 H +ATOM 2572 HW2 SOL 333 40.370 7.250 43.680 1.00 0.00 H +ATOM 2573 OW SOL 334 62.730 45.640 2.810 1.00 0.00 O +ATOM 2574 HW1 SOL 334 61.810 45.840 2.670 1.00 0.00 H +ATOM 2575 HW2 SOL 334 62.730 44.860 3.360 1.00 0.00 H +ATOM 2576 OW SOL 335 45.330 7.640 9.330 1.00 0.00 O +ATOM 2577 HW1 SOL 335 45.140 8.290 8.650 1.00 0.00 H +ATOM 2578 HW2 SOL 335 45.620 8.160 10.080 1.00 0.00 H +ATOM 2579 OW SOL 336 62.680 17.000 18.640 1.00 0.00 O +ATOM 2580 HW1 SOL 336 61.790 17.280 18.860 1.00 0.00 H +ATOM 2581 HW2 SOL 336 62.980 16.540 19.420 1.00 0.00 H +ATOM 2582 OW SOL 337 3.260 15.720 36.350 1.00 0.00 O +ATOM 2583 HW1 SOL 337 2.460 15.210 36.270 1.00 0.00 H +ATOM 2584 HW2 SOL 337 3.180 16.400 35.680 1.00 0.00 H +ATOM 2585 OW SOL 338 10.900 24.350 39.690 1.00 0.00 O +ATOM 2586 HW1 SOL 338 10.260 24.880 40.170 1.00 0.00 H +ATOM 2587 HW2 SOL 338 10.740 24.540 38.770 1.00 0.00 H +ATOM 2588 OW SOL 339 8.510 57.790 16.240 1.00 0.00 O +ATOM 2589 HW1 SOL 339 7.870 58.410 15.880 1.00 0.00 H +ATOM 2590 HW2 SOL 339 8.580 58.020 17.170 1.00 0.00 H +ATOM 2591 OW SOL 340 4.420 24.730 36.020 1.00 0.00 O +ATOM 2592 HW1 SOL 340 5.090 25.350 35.740 1.00 0.00 H +ATOM 2593 HW2 SOL 340 3.730 25.280 36.400 1.00 0.00 H +ATOM 2594 OW SOL 341 24.530 61.480 1.060 1.00 0.00 O +ATOM 2595 HW1 SOL 341 24.690 61.190 0.160 1.00 0.00 H +ATOM 2596 HW2 SOL 341 25.350 61.890 1.320 1.00 0.00 H +ATOM 2597 OW SOL 342 36.160 0.260 39.470 1.00 0.00 O +ATOM 2598 HW1 SOL 342 36.140 1.020 40.040 1.00 0.00 H +ATOM 2599 HW2 SOL 342 36.960 0.360 38.950 1.00 0.00 H +ATOM 2600 OW SOL 343 6.330 32.250 31.440 1.00 0.00 O +ATOM 2601 HW1 SOL 343 5.450 32.570 31.210 1.00 0.00 H +ATOM 2602 HW2 SOL 343 6.300 32.130 32.380 1.00 0.00 H +ATOM 2603 OW SOL 344 58.660 25.450 21.920 1.00 0.00 O +ATOM 2604 HW1 SOL 344 59.600 25.360 22.030 1.00 0.00 H +ATOM 2605 HW2 SOL 344 58.510 25.300 20.990 1.00 0.00 H +ATOM 2606 OW SOL 345 19.690 50.370 34.320 1.00 0.00 O +ATOM 2607 HW1 SOL 345 19.080 51.090 34.120 1.00 0.00 H +ATOM 2608 HW2 SOL 345 20.430 50.520 33.730 1.00 0.00 H +ATOM 2609 OW SOL 346 26.790 34.900 9.750 1.00 0.00 O +ATOM 2610 HW1 SOL 346 27.300 34.520 10.470 1.00 0.00 H +ATOM 2611 HW2 SOL 346 27.370 35.550 9.370 1.00 0.00 H +ATOM 2612 OW SOL 347 14.180 61.250 46.690 1.00 0.00 O +ATOM 2613 HW1 SOL 347 14.340 60.770 45.880 1.00 0.00 H +ATOM 2614 HW2 SOL 347 14.910 61.860 46.760 1.00 0.00 H +ATOM 2615 OW SOL 348 63.840 2.120 50.640 1.00 0.00 O +ATOM 2616 HW1 SOL 348 64.270 2.400 51.440 1.00 0.00 H +ATOM 2617 HW2 SOL 348 64.450 1.480 50.260 1.00 0.00 H +ATOM 2618 OW SOL 349 49.590 49.400 37.300 1.00 0.00 O +ATOM 2619 HW1 SOL 349 50.160 49.490 38.060 1.00 0.00 H +ATOM 2620 HW2 SOL 349 49.030 50.170 37.320 1.00 0.00 H +ATOM 2621 OW SOL 350 63.600 47.000 40.590 1.00 0.00 O +ATOM 2622 HW1 SOL 350 62.720 46.760 40.870 1.00 0.00 H +ATOM 2623 HW2 SOL 350 63.500 47.870 40.210 1.00 0.00 H +ATOM 2624 OW SOL 351 37.400 55.560 14.590 1.00 0.00 O +ATOM 2625 HW1 SOL 351 37.730 54.700 14.300 1.00 0.00 H +ATOM 2626 HW2 SOL 351 37.230 55.450 15.520 1.00 0.00 H +ATOM 2627 OW SOL 352 46.990 31.840 36.430 1.00 0.00 O +ATOM 2628 HW1 SOL 352 46.560 31.870 35.570 1.00 0.00 H +ATOM 2629 HW2 SOL 352 47.660 32.530 36.380 1.00 0.00 H +ATOM 2630 OW SOL 353 46.040 40.780 5.730 1.00 0.00 O +ATOM 2631 HW1 SOL 353 46.080 41.130 4.840 1.00 0.00 H +ATOM 2632 HW2 SOL 353 46.920 40.450 5.890 1.00 0.00 H +ATOM 2633 OW SOL 354 22.960 17.490 16.620 1.00 0.00 O +ATOM 2634 HW1 SOL 354 23.300 17.450 17.510 1.00 0.00 H +ATOM 2635 HW2 SOL 354 23.620 17.980 16.130 1.00 0.00 H +ATOM 2636 OW SOL 355 34.430 57.430 35.940 1.00 0.00 O +ATOM 2637 HW1 SOL 355 35.340 57.480 36.220 1.00 0.00 H +ATOM 2638 HW2 SOL 355 34.470 57.420 34.990 1.00 0.00 H +ATOM 2639 OW SOL 356 53.120 54.840 22.940 1.00 0.00 O +ATOM 2640 HW1 SOL 356 53.160 55.720 22.580 1.00 0.00 H +ATOM 2641 HW2 SOL 356 53.620 54.300 22.320 1.00 0.00 H +ATOM 2642 OW SOL 357 0.600 35.210 38.190 1.00 0.00 O +ATOM 2643 HW1 SOL 357 0.620 36.060 37.750 1.00 0.00 H +ATOM 2644 HW2 SOL 357 -0.330 35.070 38.370 1.00 0.00 H +ATOM 2645 OW SOL 358 59.010 42.130 6.630 1.00 0.00 O +ATOM 2646 HW1 SOL 358 59.910 42.440 6.750 1.00 0.00 H +ATOM 2647 HW2 SOL 358 59.090 41.430 5.970 1.00 0.00 H +ATOM 2648 OW SOL 359 3.470 25.570 51.840 1.00 0.00 O +ATOM 2649 HW1 SOL 359 4.410 25.620 51.990 1.00 0.00 H +ATOM 2650 HW2 SOL 359 3.240 26.440 51.490 1.00 0.00 H +ATOM 2651 OW SOL 360 59.940 5.140 50.060 1.00 0.00 O +ATOM 2652 HW1 SOL 360 59.850 5.280 49.110 1.00 0.00 H +ATOM 2653 HW2 SOL 360 59.050 5.150 50.390 1.00 0.00 H +ATOM 2654 OW SOL 361 7.300 20.620 53.580 1.00 0.00 O +ATOM 2655 HW1 SOL 361 7.170 20.180 52.730 1.00 0.00 H +ATOM 2656 HW2 SOL 361 7.250 19.920 54.220 1.00 0.00 H +ATOM 2657 OW SOL 362 63.760 35.130 1.970 1.00 0.00 O +ATOM 2658 HW1 SOL 362 63.740 34.170 1.940 1.00 0.00 H +ATOM 2659 HW2 SOL 362 63.980 35.390 1.080 1.00 0.00 H +ATOM 2660 OW SOL 363 11.450 30.840 34.990 1.00 0.00 O +ATOM 2661 HW1 SOL 363 11.610 31.100 34.080 1.00 0.00 H +ATOM 2662 HW2 SOL 363 11.200 31.650 35.440 1.00 0.00 H +ATOM 2663 OW SOL 364 55.530 36.760 49.000 1.00 0.00 O +ATOM 2664 HW1 SOL 364 54.800 36.190 49.220 1.00 0.00 H +ATOM 2665 HW2 SOL 364 55.650 37.310 49.770 1.00 0.00 H +ATOM 2666 OW SOL 365 51.860 32.840 30.950 1.00 0.00 O +ATOM 2667 HW1 SOL 365 51.740 33.770 31.100 1.00 0.00 H +ATOM 2668 HW2 SOL 365 52.200 32.500 31.780 1.00 0.00 H +ATOM 2669 OW SOL 366 60.780 3.580 15.020 1.00 0.00 O +ATOM 2670 HW1 SOL 366 61.610 3.170 15.250 1.00 0.00 H +ATOM 2671 HW2 SOL 366 60.660 3.390 14.100 1.00 0.00 H +ATOM 2672 OW SOL 367 1.430 8.430 20.430 1.00 0.00 O +ATOM 2673 HW1 SOL 367 1.440 8.600 19.490 1.00 0.00 H +ATOM 2674 HW2 SOL 367 2.270 8.770 20.750 1.00 0.00 H +ATOM 2675 OW SOL 368 42.120 10.360 9.090 1.00 0.00 O +ATOM 2676 HW1 SOL 368 42.120 10.810 8.250 1.00 0.00 H +ATOM 2677 HW2 SOL 368 42.430 9.480 8.900 1.00 0.00 H +ATOM 2678 OW SOL 369 55.840 54.440 7.320 1.00 0.00 O +ATOM 2679 HW1 SOL 369 55.070 53.970 7.630 1.00 0.00 H +ATOM 2680 HW2 SOL 369 55.620 55.370 7.440 1.00 0.00 H +ATOM 2681 OW SOL 370 18.480 5.970 19.260 1.00 0.00 O +ATOM 2682 HW1 SOL 370 18.410 6.890 19.520 1.00 0.00 H +ATOM 2683 HW2 SOL 370 18.570 5.500 20.090 1.00 0.00 H +ATOM 2684 OW SOL 371 55.520 7.100 8.040 1.00 0.00 O +ATOM 2685 HW1 SOL 371 55.850 6.280 7.670 1.00 0.00 H +ATOM 2686 HW2 SOL 371 54.590 7.110 7.790 1.00 0.00 H +ATOM 2687 OW SOL 372 36.740 56.440 40.550 1.00 0.00 O +ATOM 2688 HW1 SOL 372 37.300 56.160 39.830 1.00 0.00 H +ATOM 2689 HW2 SOL 372 37.070 55.950 41.310 1.00 0.00 H +ATOM 2690 OW SOL 373 13.290 24.790 49.130 1.00 0.00 O +ATOM 2691 HW1 SOL 373 12.800 23.970 49.100 1.00 0.00 H +ATOM 2692 HW2 SOL 373 13.900 24.680 49.860 1.00 0.00 H +ATOM 2693 OW SOL 374 38.350 4.100 6.890 1.00 0.00 O +ATOM 2694 HW1 SOL 374 37.460 3.880 6.640 1.00 0.00 H +ATOM 2695 HW2 SOL 374 38.700 3.300 7.290 1.00 0.00 H +ATOM 2696 OW SOL 375 6.940 6.470 19.150 1.00 0.00 O +ATOM 2697 HW1 SOL 375 7.860 6.420 19.420 1.00 0.00 H +ATOM 2698 HW2 SOL 375 6.590 7.210 19.650 1.00 0.00 H +ATOM 2699 OW SOL 376 0.910 35.880 2.490 1.00 0.00 O +ATOM 2700 HW1 SOL 376 1.380 35.270 1.920 1.00 0.00 H +ATOM 2701 HW2 SOL 376 -0.010 35.630 2.400 1.00 0.00 H +ATOM 2702 OW SOL 377 62.160 18.610 35.360 1.00 0.00 O +ATOM 2703 HW1 SOL 377 61.610 17.980 35.830 1.00 0.00 H +ATOM 2704 HW2 SOL 377 61.730 19.450 35.490 1.00 0.00 H +ATOM 2705 OW SOL 378 42.820 30.030 1.450 1.00 0.00 O +ATOM 2706 HW1 SOL 378 43.430 30.330 0.760 1.00 0.00 H +ATOM 2707 HW2 SOL 378 42.290 29.360 1.020 1.00 0.00 H +ATOM 2708 OW SOL 379 47.360 16.400 51.770 1.00 0.00 O +ATOM 2709 HW1 SOL 379 46.610 16.660 51.240 1.00 0.00 H +ATOM 2710 HW2 SOL 379 48.040 17.040 51.550 1.00 0.00 H +ATOM 2711 OW SOL 380 34.950 9.720 48.360 1.00 0.00 O +ATOM 2712 HW1 SOL 380 35.620 9.920 49.020 1.00 0.00 H +ATOM 2713 HW2 SOL 380 34.600 8.870 48.610 1.00 0.00 H +ATOM 2714 OW SOL 381 47.740 23.700 31.500 1.00 0.00 O +ATOM 2715 HW1 SOL 381 47.770 24.300 30.760 1.00 0.00 H +ATOM 2716 HW2 SOL 381 46.890 23.870 31.910 1.00 0.00 H +ATOM 2717 OW SOL 382 17.770 19.940 11.980 1.00 0.00 O +ATOM 2718 HW1 SOL 382 18.030 19.330 11.290 1.00 0.00 H +ATOM 2719 HW2 SOL 382 17.430 20.700 11.520 1.00 0.00 H +ATOM 2720 OW SOL 383 22.100 2.150 8.060 1.00 0.00 O +ATOM 2721 HW1 SOL 383 22.830 2.700 8.350 1.00 0.00 H +ATOM 2722 HW2 SOL 383 21.760 2.590 7.280 1.00 0.00 H +ATOM 2723 OW SOL 384 3.550 34.130 10.010 1.00 0.00 O +ATOM 2724 HW1 SOL 384 3.000 33.470 10.420 1.00 0.00 H +ATOM 2725 HW2 SOL 384 3.280 34.950 10.410 1.00 0.00 H +ATOM 2726 OW SOL 385 49.420 24.670 3.660 1.00 0.00 O +ATOM 2727 HW1 SOL 385 49.240 24.630 4.600 1.00 0.00 H +ATOM 2728 HW2 SOL 385 49.110 23.840 3.320 1.00 0.00 H +ATOM 2729 OW SOL 386 42.680 56.830 53.280 1.00 0.00 O +ATOM 2730 HW1 SOL 386 43.490 57.010 53.750 1.00 0.00 H +ATOM 2731 HW2 SOL 386 42.380 57.680 52.960 1.00 0.00 H +ATOM 2732 OW SOL 387 49.250 42.670 40.330 1.00 0.00 O +ATOM 2733 HW1 SOL 387 49.270 43.430 39.750 1.00 0.00 H +ATOM 2734 HW2 SOL 387 49.830 42.030 39.930 1.00 0.00 H +ATOM 2735 OW SOL 388 43.550 42.550 19.500 1.00 0.00 O +ATOM 2736 HW1 SOL 388 43.830 41.660 19.730 1.00 0.00 H +ATOM 2737 HW2 SOL 388 44.250 43.110 19.840 1.00 0.00 H +ATOM 2738 OW SOL 389 55.270 19.460 30.220 1.00 0.00 O +ATOM 2739 HW1 SOL 389 54.560 19.890 29.740 1.00 0.00 H +ATOM 2740 HW2 SOL 389 54.820 18.860 30.820 1.00 0.00 H +ATOM 2741 OW SOL 390 63.260 40.020 34.980 1.00 0.00 O +ATOM 2742 HW1 SOL 390 63.330 39.170 34.550 1.00 0.00 H +ATOM 2743 HW2 SOL 390 64.030 40.500 34.670 1.00 0.00 H +ATOM 2744 OW SOL 391 47.280 12.980 45.480 1.00 0.00 O +ATOM 2745 HW1 SOL 391 47.150 12.150 45.930 1.00 0.00 H +ATOM 2746 HW2 SOL 391 46.700 12.950 44.730 1.00 0.00 H +ATOM 2747 OW SOL 392 23.310 18.630 28.400 1.00 0.00 O +ATOM 2748 HW1 SOL 392 23.240 19.550 28.160 1.00 0.00 H +ATOM 2749 HW2 SOL 392 24.030 18.300 27.860 1.00 0.00 H +ATOM 2750 OW SOL 393 11.670 41.370 29.370 1.00 0.00 O +ATOM 2751 HW1 SOL 393 11.070 41.560 30.100 1.00 0.00 H +ATOM 2752 HW2 SOL 393 11.530 40.440 29.190 1.00 0.00 H +ATOM 2753 OW SOL 394 5.310 40.220 17.820 1.00 0.00 O +ATOM 2754 HW1 SOL 394 5.810 39.410 17.940 1.00 0.00 H +ATOM 2755 HW2 SOL 394 5.870 40.910 18.160 1.00 0.00 H +ATOM 2756 OW SOL 395 48.780 30.720 11.740 1.00 0.00 O +ATOM 2757 HW1 SOL 395 48.410 29.840 11.680 1.00 0.00 H +ATOM 2758 HW2 SOL 395 48.190 31.270 11.220 1.00 0.00 H +ATOM 2759 OW SOL 396 56.380 33.470 2.410 1.00 0.00 O +ATOM 2760 HW1 SOL 396 57.230 33.090 2.190 1.00 0.00 H +ATOM 2761 HW2 SOL 396 55.860 33.360 1.610 1.00 0.00 H +ATOM 2762 OW SOL 397 45.590 58.680 28.470 1.00 0.00 O +ATOM 2763 HW1 SOL 397 46.260 59.220 28.040 1.00 0.00 H +ATOM 2764 HW2 SOL 397 46.080 58.140 29.090 1.00 0.00 H +ATOM 2765 OW SOL 398 14.620 1.310 18.260 1.00 0.00 O +ATOM 2766 HW1 SOL 398 14.470 2.240 18.080 1.00 0.00 H +ATOM 2767 HW2 SOL 398 15.330 1.300 18.900 1.00 0.00 H +ATOM 2768 OW SOL 399 53.540 51.590 30.760 1.00 0.00 O +ATOM 2769 HW1 SOL 399 52.950 52.350 30.820 1.00 0.00 H +ATOM 2770 HW2 SOL 399 52.950 50.840 30.710 1.00 0.00 H +ATOM 2771 OW SOL 400 21.870 60.520 18.360 1.00 0.00 O +ATOM 2772 HW1 SOL 400 21.510 59.870 17.750 1.00 0.00 H +ATOM 2773 HW2 SOL 400 21.710 60.150 19.220 1.00 0.00 H +ATOM 2774 OW SOL 401 50.230 48.730 25.400 1.00 0.00 O +ATOM 2775 HW1 SOL 401 50.400 47.820 25.660 1.00 0.00 H +ATOM 2776 HW2 SOL 401 51.000 48.980 24.900 1.00 0.00 H +ATOM 2777 OW SOL 402 50.580 22.390 52.710 1.00 0.00 O +ATOM 2778 HW1 SOL 402 50.850 23.190 52.260 1.00 0.00 H +ATOM 2779 HW2 SOL 402 50.980 21.690 52.210 1.00 0.00 H +ATOM 2780 OW SOL 403 54.720 57.890 26.260 1.00 0.00 O +ATOM 2781 HW1 SOL 403 54.800 56.960 26.070 1.00 0.00 H +ATOM 2782 HW2 SOL 403 54.090 57.950 26.970 1.00 0.00 H +ATOM 2783 OW SOL 404 0.350 50.960 24.720 1.00 0.00 O +ATOM 2784 HW1 SOL 404 0.050 51.860 24.610 1.00 0.00 H +ATOM 2785 HW2 SOL 404 0.600 50.900 25.640 1.00 0.00 H +ATOM 2786 OW SOL 405 55.570 2.080 41.470 1.00 0.00 O +ATOM 2787 HW1 SOL 405 55.850 1.210 41.750 1.00 0.00 H +ATOM 2788 HW2 SOL 405 54.630 2.080 41.600 1.00 0.00 H +ATOM 2789 OW SOL 406 13.710 39.250 53.110 1.00 0.00 O +ATOM 2790 HW1 SOL 406 14.410 39.780 52.730 1.00 0.00 H +ATOM 2791 HW2 SOL 406 13.500 39.690 53.940 1.00 0.00 H +ATOM 2792 OW SOL 407 27.030 33.500 53.290 1.00 0.00 O +ATOM 2793 HW1 SOL 407 27.980 33.510 53.200 1.00 0.00 H +ATOM 2794 HW2 SOL 407 26.840 34.140 53.970 1.00 0.00 H +ATOM 2795 OW SOL 408 45.140 38.920 46.860 1.00 0.00 O +ATOM 2796 HW1 SOL 408 45.190 38.840 45.910 1.00 0.00 H +ATOM 2797 HW2 SOL 408 44.210 38.830 47.060 1.00 0.00 H +ATOM 2798 OW SOL 409 27.990 2.660 49.890 1.00 0.00 O +ATOM 2799 HW1 SOL 409 28.440 3.460 50.150 1.00 0.00 H +ATOM 2800 HW2 SOL 409 28.280 2.000 50.520 1.00 0.00 H +ATOM 2801 OW SOL 410 17.070 48.690 51.800 1.00 0.00 O +ATOM 2802 HW1 SOL 410 17.920 48.500 51.400 1.00 0.00 H +ATOM 2803 HW2 SOL 410 16.890 49.600 51.570 1.00 0.00 H +ATOM 2804 OW SOL 411 0.660 22.330 22.760 1.00 0.00 O +ATOM 2805 HW1 SOL 411 -0.150 21.850 22.930 1.00 0.00 H +ATOM 2806 HW2 SOL 411 0.570 23.140 23.270 1.00 0.00 H +ATOM 2807 OW SOL 412 11.890 32.420 40.610 1.00 0.00 O +ATOM 2808 HW1 SOL 412 11.300 33.180 40.610 1.00 0.00 H +ATOM 2809 HW2 SOL 412 12.390 32.510 39.800 1.00 0.00 H +ATOM 2810 OW SOL 413 10.920 56.520 17.220 1.00 0.00 O +ATOM 2811 HW1 SOL 413 10.080 56.890 16.940 1.00 0.00 H +ATOM 2812 HW2 SOL 413 10.670 55.840 17.860 1.00 0.00 H +ATOM 2813 OW SOL 414 24.080 49.580 45.900 1.00 0.00 O +ATOM 2814 HW1 SOL 414 23.480 48.930 45.530 1.00 0.00 H +ATOM 2815 HW2 SOL 414 24.500 49.130 46.630 1.00 0.00 H +ATOM 2816 OW SOL 415 55.410 50.050 33.320 1.00 0.00 O +ATOM 2817 HW1 SOL 415 55.650 49.180 33.640 1.00 0.00 H +ATOM 2818 HW2 SOL 415 54.540 49.930 32.930 1.00 0.00 H +ATOM 2819 OW SOL 416 4.700 41.080 37.920 1.00 0.00 O +ATOM 2820 HW1 SOL 416 4.870 41.710 37.220 1.00 0.00 H +ATOM 2821 HW2 SOL 416 5.560 40.740 38.150 1.00 0.00 H +ATOM 2822 OW SOL 417 48.180 15.510 40.760 1.00 0.00 O +ATOM 2823 HW1 SOL 417 48.540 16.190 41.320 1.00 0.00 H +ATOM 2824 HW2 SOL 417 48.950 15.040 40.430 1.00 0.00 H +ATOM 2825 OW SOL 418 49.960 8.630 24.210 1.00 0.00 O +ATOM 2826 HW1 SOL 418 49.310 8.920 24.850 1.00 0.00 H +ATOM 2827 HW2 SOL 418 50.750 9.130 24.420 1.00 0.00 H +ATOM 2828 OW SOL 419 56.700 59.600 19.220 1.00 0.00 O +ATOM 2829 HW1 SOL 419 57.260 59.870 19.950 1.00 0.00 H +ATOM 2830 HW2 SOL 419 57.120 58.820 18.860 1.00 0.00 H +ATOM 2831 OW SOL 420 36.280 0.330 8.870 1.00 0.00 O +ATOM 2832 HW1 SOL 420 36.500 1.240 9.070 1.00 0.00 H +ATOM 2833 HW2 SOL 420 37.110 -0.090 8.660 1.00 0.00 H +ATOM 2834 OW SOL 421 48.070 44.290 50.340 1.00 0.00 O +ATOM 2835 HW1 SOL 421 48.250 43.490 49.840 1.00 0.00 H +ATOM 2836 HW2 SOL 421 48.070 44.010 51.250 1.00 0.00 H +ATOM 2837 OW SOL 422 22.610 45.050 41.350 1.00 0.00 O +ATOM 2838 HW1 SOL 422 22.300 45.950 41.230 1.00 0.00 H +ATOM 2839 HW2 SOL 422 22.700 44.960 42.300 1.00 0.00 H +ATOM 2840 OW SOL 423 5.220 21.240 4.440 1.00 0.00 O +ATOM 2841 HW1 SOL 423 5.680 20.410 4.570 1.00 0.00 H +ATOM 2842 HW2 SOL 423 4.430 21.000 3.960 1.00 0.00 H +ATOM 2843 OW SOL 424 19.060 29.460 47.760 1.00 0.00 O +ATOM 2844 HW1 SOL 424 18.690 29.730 48.600 1.00 0.00 H +ATOM 2845 HW2 SOL 424 19.920 29.090 47.980 1.00 0.00 H +ATOM 2846 OW SOL 425 6.890 55.660 8.360 1.00 0.00 O +ATOM 2847 HW1 SOL 425 6.820 56.610 8.400 1.00 0.00 H +ATOM 2848 HW2 SOL 425 7.830 55.490 8.360 1.00 0.00 H +ATOM 2849 OW SOL 426 36.260 26.580 48.570 1.00 0.00 O +ATOM 2850 HW1 SOL 426 36.040 25.650 48.490 1.00 0.00 H +ATOM 2851 HW2 SOL 426 37.210 26.580 48.700 1.00 0.00 H +ATOM 2852 OW SOL 427 64.990 34.050 22.360 1.00 0.00 O +ATOM 2853 HW1 SOL 427 64.120 34.270 22.690 1.00 0.00 H +ATOM 2854 HW2 SOL 427 65.590 34.330 23.060 1.00 0.00 H +ATOM 2855 OW SOL 428 60.410 60.290 39.110 1.00 0.00 O +ATOM 2856 HW1 SOL 428 60.780 59.520 38.660 1.00 0.00 H +ATOM 2857 HW2 SOL 428 60.330 60.020 40.020 1.00 0.00 H +ATOM 2858 OW SOL 429 44.840 55.930 19.730 1.00 0.00 O +ATOM 2859 HW1 SOL 429 44.370 56.760 19.660 1.00 0.00 H +ATOM 2860 HW2 SOL 429 45.740 56.140 19.490 1.00 0.00 H +ATOM 2861 OW SOL 430 45.170 17.000 27.070 1.00 0.00 O +ATOM 2862 HW1 SOL 430 45.200 16.950 28.030 1.00 0.00 H +ATOM 2863 HW2 SOL 430 44.390 16.510 26.830 1.00 0.00 H +ATOM 2864 OW SOL 431 64.760 19.330 36.060 1.00 0.00 O +ATOM 2865 HW1 SOL 431 64.790 18.490 36.520 1.00 0.00 H +ATOM 2866 HW2 SOL 431 63.880 19.370 35.700 1.00 0.00 H +ATOM 2867 OW SOL 432 48.350 53.680 32.790 1.00 0.00 O +ATOM 2868 HW1 SOL 432 47.690 53.550 32.110 1.00 0.00 H +ATOM 2869 HW2 SOL 432 49.060 54.160 32.350 1.00 0.00 H +ATOM 2870 OW SOL 433 31.680 21.270 10.700 1.00 0.00 O +ATOM 2871 HW1 SOL 433 30.890 21.110 10.200 1.00 0.00 H +ATOM 2872 HW2 SOL 433 31.490 22.060 11.220 1.00 0.00 H +ATOM 2873 OW SOL 434 0.155 17.290 27.360 1.00 0.00 O +ATOM 2874 HW1 SOL 434 -0.365 16.870 28.050 1.00 0.00 H +ATOM 2875 HW2 SOL 434 -0.015 16.770 26.580 1.00 0.00 H +ATOM 2876 OW SOL 435 54.100 29.290 23.990 1.00 0.00 O +ATOM 2877 HW1 SOL 435 55.010 29.140 23.730 1.00 0.00 H +ATOM 2878 HW2 SOL 435 53.730 29.830 23.290 1.00 0.00 H +ATOM 2879 OW SOL 436 49.250 12.270 4.080 1.00 0.00 O +ATOM 2880 HW1 SOL 436 49.500 12.630 3.230 1.00 0.00 H +ATOM 2881 HW2 SOL 436 49.250 11.330 3.960 1.00 0.00 H +ATOM 2882 OW SOL 437 41.100 54.220 28.790 1.00 0.00 O +ATOM 2883 HW1 SOL 437 41.180 53.960 29.710 1.00 0.00 H +ATOM 2884 HW2 SOL 437 41.510 53.510 28.300 1.00 0.00 H +ATOM 2885 OW SOL 438 38.400 36.320 43.030 1.00 0.00 O +ATOM 2886 HW1 SOL 438 38.320 35.580 42.420 1.00 0.00 H +ATOM 2887 HW2 SOL 438 38.980 36.930 42.580 1.00 0.00 H +ATOM 2888 OW SOL 439 45.360 14.050 25.990 1.00 0.00 O +ATOM 2889 HW1 SOL 439 44.620 13.500 25.740 1.00 0.00 H +ATOM 2890 HW2 SOL 439 45.000 14.930 26.020 1.00 0.00 H +ATOM 2891 OW SOL 440 47.140 47.990 37.240 1.00 0.00 O +ATOM 2892 HW1 SOL 440 46.430 48.620 37.350 1.00 0.00 H +ATOM 2893 HW2 SOL 440 47.920 48.450 37.540 1.00 0.00 H +ATOM 2894 OW SOL 441 12.170 13.150 21.480 1.00 0.00 O +ATOM 2895 HW1 SOL 441 11.230 13.240 21.660 1.00 0.00 H +ATOM 2896 HW2 SOL 441 12.240 12.340 20.990 1.00 0.00 H +ATOM 2897 OW SOL 442 20.490 17.390 28.440 1.00 0.00 O +ATOM 2898 HW1 SOL 442 21.340 17.780 28.630 1.00 0.00 H +ATOM 2899 HW2 SOL 442 19.860 17.930 28.920 1.00 0.00 H +ATOM 2900 OW SOL 443 11.610 38.800 49.180 1.00 0.00 O +ATOM 2901 HW1 SOL 443 12.020 38.020 49.560 1.00 0.00 H +ATOM 2902 HW2 SOL 443 12.260 39.490 49.290 1.00 0.00 H +ATOM 2903 OW SOL 444 19.560 19.450 32.560 1.00 0.00 O +ATOM 2904 HW1 SOL 444 20.110 18.690 32.340 1.00 0.00 H +ATOM 2905 HW2 SOL 444 20.180 20.160 32.710 1.00 0.00 H +ATOM 2906 OW SOL 445 4.760 49.930 53.450 1.00 0.00 O +ATOM 2907 HW1 SOL 445 5.580 50.230 53.060 1.00 0.00 H +ATOM 2908 HW2 SOL 445 4.420 49.290 52.830 1.00 0.00 H +ATOM 2909 OW SOL 446 33.610 1.160 30.050 1.00 0.00 O +ATOM 2910 HW1 SOL 446 33.950 0.290 30.260 1.00 0.00 H +ATOM 2911 HW2 SOL 446 34.370 1.640 29.730 1.00 0.00 H +ATOM 2912 OW SOL 447 52.730 48.560 45.010 1.00 0.00 O +ATOM 2913 HW1 SOL 447 53.170 48.490 45.860 1.00 0.00 H +ATOM 2914 HW2 SOL 447 51.830 48.280 45.180 1.00 0.00 H +ATOM 2915 OW SOL 448 40.950 1.230 50.950 1.00 0.00 O +ATOM 2916 HW1 SOL 448 41.200 0.430 51.400 1.00 0.00 H +ATOM 2917 HW2 SOL 448 41.760 1.560 50.560 1.00 0.00 H +ATOM 2918 OW SOL 449 31.580 30.120 49.620 1.00 0.00 O +ATOM 2919 HW1 SOL 449 30.960 29.400 49.490 1.00 0.00 H +ATOM 2920 HW2 SOL 449 31.550 30.290 50.560 1.00 0.00 H +ATOM 2921 OW SOL 450 4.150 6.030 8.360 1.00 0.00 O +ATOM 2922 HW1 SOL 450 4.040 6.040 9.310 1.00 0.00 H +ATOM 2923 HW2 SOL 450 3.450 6.600 8.030 1.00 0.00 H +ATOM 2924 OW SOL 451 47.210 26.530 47.910 1.00 0.00 O +ATOM 2925 HW1 SOL 451 47.850 25.820 48.010 1.00 0.00 H +ATOM 2926 HW2 SOL 451 46.740 26.310 47.110 1.00 0.00 H +ATOM 2927 OW SOL 452 5.350 3.350 28.270 1.00 0.00 O +ATOM 2928 HW1 SOL 452 5.870 3.720 27.550 1.00 0.00 H +ATOM 2929 HW2 SOL 452 5.120 2.470 27.970 1.00 0.00 H +ATOM 2930 OW SOL 453 23.430 41.660 10.700 1.00 0.00 O +ATOM 2931 HW1 SOL 453 22.550 41.360 10.920 1.00 0.00 H +ATOM 2932 HW2 SOL 453 23.350 42.610 10.650 1.00 0.00 H +ATOM 2933 OW SOL 454 54.690 13.180 26.390 1.00 0.00 O +ATOM 2934 HW1 SOL 454 55.210 12.910 25.630 1.00 0.00 H +ATOM 2935 HW2 SOL 454 54.260 12.370 26.680 1.00 0.00 H +ATOM 2936 OW SOL 455 16.630 12.620 9.980 1.00 0.00 O +ATOM 2937 HW1 SOL 455 16.940 12.640 10.890 1.00 0.00 H +ATOM 2938 HW2 SOL 455 17.320 13.050 9.480 1.00 0.00 H +ATOM 2939 OW SOL 456 15.670 0.200 52.020 1.00 0.00 O +ATOM 2940 HW1 SOL 456 15.380 1.090 52.220 1.00 0.00 H +ATOM 2941 HW2 SOL 456 15.060 -0.110 51.340 1.00 0.00 H +ATOM 2942 OW SOL 457 40.750 14.190 3.010 1.00 0.00 O +ATOM 2943 HW1 SOL 457 40.850 13.610 3.770 1.00 0.00 H +ATOM 2944 HW2 SOL 457 40.460 15.020 3.380 1.00 0.00 H +ATOM 2945 OW SOL 458 11.770 37.560 35.880 1.00 0.00 O +ATOM 2946 HW1 SOL 458 12.640 37.870 35.660 1.00 0.00 H +ATOM 2947 HW2 SOL 458 11.240 38.360 35.930 1.00 0.00 H +ATOM 2948 OW SOL 459 13.010 36.420 39.130 1.00 0.00 O +ATOM 2949 HW1 SOL 459 13.240 37.220 39.590 1.00 0.00 H +ATOM 2950 HW2 SOL 459 13.650 36.370 38.410 1.00 0.00 H +ATOM 2951 OW SOL 460 22.470 24.350 36.470 1.00 0.00 O +ATOM 2952 HW1 SOL 460 23.390 24.450 36.710 1.00 0.00 H +ATOM 2953 HW2 SOL 460 22.470 24.230 35.520 1.00 0.00 H +ATOM 2954 OW SOL 461 31.190 18.050 2.630 1.00 0.00 O +ATOM 2955 HW1 SOL 461 31.390 18.160 3.560 1.00 0.00 H +ATOM 2956 HW2 SOL 461 31.810 17.380 2.330 1.00 0.00 H +ATOM 2957 OW SOL 462 28.500 45.460 42.960 1.00 0.00 O +ATOM 2958 HW1 SOL 462 28.720 45.370 43.880 1.00 0.00 H +ATOM 2959 HW2 SOL 462 27.560 45.240 42.920 1.00 0.00 H +ATOM 2960 OW SOL 463 57.150 46.840 4.390 1.00 0.00 O +ATOM 2961 HW1 SOL 463 56.290 46.980 4.000 1.00 0.00 H +ATOM 2962 HW2 SOL 463 57.120 45.960 4.750 1.00 0.00 H +ATOM 2963 OW SOL 464 16.030 52.980 48.310 1.00 0.00 O +ATOM 2964 HW1 SOL 464 15.670 53.240 49.160 1.00 0.00 H +ATOM 2965 HW2 SOL 464 15.290 53.080 47.700 1.00 0.00 H +ATOM 2966 OW SOL 465 58.380 10.710 6.500 1.00 0.00 O +ATOM 2967 HW1 SOL 465 59.190 10.770 5.990 1.00 0.00 H +ATOM 2968 HW2 SOL 465 58.440 9.870 6.950 1.00 0.00 H +ATOM 2969 OW SOL 466 31.240 32.990 45.550 1.00 0.00 O +ATOM 2970 HW1 SOL 466 31.640 32.850 46.410 1.00 0.00 H +ATOM 2971 HW2 SOL 466 31.970 32.930 44.930 1.00 0.00 H +ATOM 2972 OW SOL 467 51.760 3.160 4.530 1.00 0.00 O +ATOM 2973 HW1 SOL 467 51.800 2.270 4.180 1.00 0.00 H +ATOM 2974 HW2 SOL 467 50.890 3.470 4.290 1.00 0.00 H +ATOM 2975 OW SOL 468 30.480 15.230 15.130 1.00 0.00 O +ATOM 2976 HW1 SOL 468 30.010 14.400 15.230 1.00 0.00 H +ATOM 2977 HW2 SOL 468 31.370 15.050 15.430 1.00 0.00 H +ATOM 2978 OW SOL 469 65.150 8.920 7.950 1.00 0.00 O +ATOM 2979 HW1 SOL 469 65.040 9.700 7.400 1.00 0.00 H +ATOM 2980 HW2 SOL 469 65.620 9.240 8.720 1.00 0.00 H +ATOM 2981 OW SOL 470 42.070 22.490 19.660 1.00 0.00 O +ATOM 2982 HW1 SOL 470 42.590 23.140 20.130 1.00 0.00 H +ATOM 2983 HW2 SOL 470 41.480 23.000 19.110 1.00 0.00 H +ATOM 2984 OW SOL 471 42.500 7.650 24.190 1.00 0.00 O +ATOM 2985 HW1 SOL 471 41.920 8.310 23.810 1.00 0.00 H +ATOM 2986 HW2 SOL 471 42.690 7.990 25.070 1.00 0.00 H +ATOM 2987 OW SOL 472 16.140 57.980 7.250 1.00 0.00 O +ATOM 2988 HW1 SOL 472 16.660 58.770 7.140 1.00 0.00 H +ATOM 2989 HW2 SOL 472 15.580 57.950 6.480 1.00 0.00 H +ATOM 2990 OW SOL 473 47.810 40.140 15.030 1.00 0.00 O +ATOM 2991 HW1 SOL 473 47.090 39.520 14.880 1.00 0.00 H +ATOM 2992 HW2 SOL 473 48.270 39.780 15.790 1.00 0.00 H +ATOM 2993 OW SOL 474 51.200 38.290 4.350 1.00 0.00 O +ATOM 2994 HW1 SOL 474 51.930 37.800 4.710 1.00 0.00 H +ATOM 2995 HW2 SOL 474 51.020 37.870 3.500 1.00 0.00 H +ATOM 2996 OW SOL 475 57.100 41.700 24.600 1.00 0.00 O +ATOM 2997 HW1 SOL 475 56.950 42.590 24.300 1.00 0.00 H +ATOM 2998 HW2 SOL 475 57.980 41.480 24.280 1.00 0.00 H +ATOM 2999 OW SOL 476 5.320 46.940 4.820 1.00 0.00 O +ATOM 3000 HW1 SOL 476 5.580 46.900 3.900 1.00 0.00 H +ATOM 3001 HW2 SOL 476 5.800 47.680 5.170 1.00 0.00 H +ATOM 3002 OW SOL 477 62.720 31.480 23.520 1.00 0.00 O +ATOM 3003 HW1 SOL 477 63.230 31.900 24.210 1.00 0.00 H +ATOM 3004 HW2 SOL 477 61.810 31.740 23.710 1.00 0.00 H +ATOM 3005 OW SOL 478 30.680 60.030 34.500 1.00 0.00 O +ATOM 3006 HW1 SOL 478 29.930 60.420 34.050 1.00 0.00 H +ATOM 3007 HW2 SOL 478 30.290 59.440 35.150 1.00 0.00 H +ATOM 3008 OW SOL 479 17.190 53.650 40.440 1.00 0.00 O +ATOM 3009 HW1 SOL 479 17.090 54.600 40.430 1.00 0.00 H +ATOM 3010 HW2 SOL 479 16.320 53.310 40.240 1.00 0.00 H +ATOM 3011 OW SOL 480 10.840 52.900 9.720 1.00 0.00 O +ATOM 3012 HW1 SOL 480 11.740 53.120 9.970 1.00 0.00 H +ATOM 3013 HW2 SOL 480 10.840 51.940 9.680 1.00 0.00 H +ATOM 3014 OW SOL 481 41.890 58.040 27.200 1.00 0.00 O +ATOM 3015 HW1 SOL 481 42.300 57.240 26.860 1.00 0.00 H +ATOM 3016 HW2 SOL 481 41.780 57.870 28.130 1.00 0.00 H +ATOM 3017 OW SOL 482 44.180 30.330 44.350 1.00 0.00 O +ATOM 3018 HW1 SOL 482 43.290 29.970 44.420 1.00 0.00 H +ATOM 3019 HW2 SOL 482 44.740 29.560 44.240 1.00 0.00 H +ATOM 3020 OW SOL 483 32.650 57.370 4.670 1.00 0.00 O +ATOM 3021 HW1 SOL 483 32.830 56.430 4.760 1.00 0.00 H +ATOM 3022 HW2 SOL 483 31.710 57.450 4.850 1.00 0.00 H +ATOM 3023 OW SOL 484 12.090 5.160 36.610 1.00 0.00 O +ATOM 3024 HW1 SOL 484 12.880 5.510 36.210 1.00 0.00 H +ATOM 3025 HW2 SOL 484 11.400 5.790 36.390 1.00 0.00 H +ATOM 3026 OW SOL 485 46.300 45.510 18.350 1.00 0.00 O +ATOM 3027 HW1 SOL 485 45.790 45.980 19.010 1.00 0.00 H +ATOM 3028 HW2 SOL 485 45.880 45.740 17.520 1.00 0.00 H +ATOM 3029 OW SOL 486 39.210 2.650 19.420 1.00 0.00 O +ATOM 3030 HW1 SOL 486 38.640 1.890 19.570 1.00 0.00 H +ATOM 3031 HW2 SOL 486 38.900 3.300 20.050 1.00 0.00 H +ATOM 3032 OW SOL 487 18.470 48.500 48.180 1.00 0.00 O +ATOM 3033 HW1 SOL 487 18.880 48.780 49.000 1.00 0.00 H +ATOM 3034 HW2 SOL 487 17.540 48.680 48.300 1.00 0.00 H +ATOM 3035 OW SOL 488 33.610 27.020 17.850 1.00 0.00 O +ATOM 3036 HW1 SOL 488 33.670 26.310 17.200 1.00 0.00 H +ATOM 3037 HW2 SOL 488 33.100 27.700 17.410 1.00 0.00 H +ATOM 3038 OW SOL 489 21.940 21.570 32.250 1.00 0.00 O +ATOM 3039 HW1 SOL 489 22.660 21.650 32.880 1.00 0.00 H +ATOM 3040 HW2 SOL 489 22.360 21.430 31.410 1.00 0.00 H +ATOM 3041 OW SOL 490 60.400 60.150 50.420 1.00 0.00 O +ATOM 3042 HW1 SOL 490 59.710 59.530 50.190 1.00 0.00 H +ATOM 3043 HW2 SOL 490 60.980 59.650 51.000 1.00 0.00 H +ATOM 3044 OW SOL 491 4.870 35.600 37.610 1.00 0.00 O +ATOM 3045 HW1 SOL 491 5.660 35.210 37.240 1.00 0.00 H +ATOM 3046 HW2 SOL 491 5.170 36.430 37.980 1.00 0.00 H +ATOM 3047 OW SOL 492 2.750 52.800 17.040 1.00 0.00 O +ATOM 3048 HW1 SOL 492 2.580 52.830 17.980 1.00 0.00 H +ATOM 3049 HW2 SOL 492 3.390 53.500 16.890 1.00 0.00 H +ATOM 3050 OW SOL 493 8.560 57.030 25.850 1.00 0.00 O +ATOM 3051 HW1 SOL 493 8.850 57.940 25.830 1.00 0.00 H +ATOM 3052 HW2 SOL 493 7.990 56.970 26.620 1.00 0.00 H +ATOM 3053 OW SOL 494 34.710 24.090 50.520 1.00 0.00 O +ATOM 3054 HW1 SOL 494 34.400 24.900 50.120 1.00 0.00 H +ATOM 3055 HW2 SOL 494 35.650 24.230 50.630 1.00 0.00 H +ATOM 3056 OW SOL 495 44.310 1.650 43.520 1.00 0.00 O +ATOM 3057 HW1 SOL 495 45.060 1.870 44.070 1.00 0.00 H +ATOM 3058 HW2 SOL 495 43.540 1.870 44.050 1.00 0.00 H +ATOM 3059 OW SOL 496 0.280 49.240 4.740 1.00 0.00 O +ATOM 3060 HW1 SOL 496 -0.520 48.780 4.470 1.00 0.00 H +ATOM 3061 HW2 SOL 496 0.990 48.700 4.390 1.00 0.00 H +ATOM 3062 OW SOL 497 10.870 13.470 8.960 1.00 0.00 O +ATOM 3063 HW1 SOL 497 11.010 13.390 9.910 1.00 0.00 H +ATOM 3064 HW2 SOL 497 10.910 12.570 8.640 1.00 0.00 H +ATOM 3065 OW SOL 498 6.630 56.340 28.800 1.00 0.00 O +ATOM 3066 HW1 SOL 498 6.480 56.920 29.550 1.00 0.00 H +ATOM 3067 HW2 SOL 498 6.800 56.930 28.070 1.00 0.00 H +ATOM 3068 OW SOL 499 39.860 20.030 52.900 1.00 0.00 O +ATOM 3069 HW1 SOL 499 39.190 19.390 53.140 1.00 0.00 H +ATOM 3070 HW2 SOL 499 39.780 20.120 51.950 1.00 0.00 H +ATOM 3071 OW SOL 500 46.800 40.200 1.010 1.00 0.00 O +ATOM 3072 HW1 SOL 500 47.060 40.630 0.200 1.00 0.00 H +ATOM 3073 HW2 SOL 500 47.310 39.390 1.030 1.00 0.00 H +ATOM 3074 OW SOL 501 1.070 24.920 12.350 1.00 0.00 O +ATOM 3075 HW1 SOL 501 1.900 24.630 11.970 1.00 0.00 H +ATOM 3076 HW2 SOL 501 0.430 24.810 11.650 1.00 0.00 H +ATOM 3077 OW SOL 502 51.550 34.550 51.590 1.00 0.00 O +ATOM 3078 HW1 SOL 502 50.980 34.940 50.930 1.00 0.00 H +ATOM 3079 HW2 SOL 502 51.630 33.630 51.330 1.00 0.00 H +ATOM 3080 OW SOL 503 8.520 30.420 45.800 1.00 0.00 O +ATOM 3081 HW1 SOL 503 9.170 30.080 46.410 1.00 0.00 H +ATOM 3082 HW2 SOL 503 8.990 30.540 44.980 1.00 0.00 H +ATOM 3083 OW SOL 504 57.970 15.650 7.580 1.00 0.00 O +ATOM 3084 HW1 SOL 504 57.340 15.660 8.310 1.00 0.00 H +ATOM 3085 HW2 SOL 504 58.370 14.780 7.630 1.00 0.00 H +ATOM 3086 OW SOL 505 60.380 7.780 35.530 1.00 0.00 O +ATOM 3087 HW1 SOL 505 60.970 7.410 34.870 1.00 0.00 H +ATOM 3088 HW2 SOL 505 60.740 8.640 35.730 1.00 0.00 H +ATOM 3089 OW SOL 506 21.550 9.370 24.630 1.00 0.00 O +ATOM 3090 HW1 SOL 506 21.850 10.210 24.280 1.00 0.00 H +ATOM 3091 HW2 SOL 506 22.360 8.930 24.900 1.00 0.00 H +ATOM 3092 OW SOL 507 8.090 27.000 5.420 1.00 0.00 O +ATOM 3093 HW1 SOL 507 7.990 26.590 4.560 1.00 0.00 H +ATOM 3094 HW2 SOL 507 9.030 27.090 5.540 1.00 0.00 H +ATOM 3095 OW SOL 508 53.750 13.500 43.050 1.00 0.00 O +ATOM 3096 HW1 SOL 508 54.200 12.700 43.310 1.00 0.00 H +ATOM 3097 HW2 SOL 508 52.900 13.200 42.710 1.00 0.00 H +ATOM 3098 OW SOL 509 51.050 17.450 21.650 1.00 0.00 O +ATOM 3099 HW1 SOL 509 50.810 17.540 20.730 1.00 0.00 H +ATOM 3100 HW2 SOL 509 51.400 18.300 21.900 1.00 0.00 H +ATOM 3101 OW SOL 510 5.770 56.960 18.520 1.00 0.00 O +ATOM 3102 HW1 SOL 510 6.300 56.560 19.210 1.00 0.00 H +ATOM 3103 HW2 SOL 510 5.760 57.900 18.730 1.00 0.00 H +ATOM 3104 OW SOL 511 65.090 51.280 47.120 1.00 0.00 O +ATOM 3105 HW1 SOL 511 65.060 50.460 46.610 1.00 0.00 H +ATOM 3106 HW2 SOL 511 66.020 51.450 47.260 1.00 0.00 H +ATOM 3107 OW SOL 512 61.660 28.900 52.390 1.00 0.00 O +ATOM 3108 HW1 SOL 512 61.160 28.630 53.160 1.00 0.00 H +ATOM 3109 HW2 SOL 512 61.780 29.840 52.500 1.00 0.00 H +ATOM 3110 OW SOL 513 57.110 2.270 44.270 1.00 0.00 O +ATOM 3111 HW1 SOL 513 57.850 1.690 44.090 1.00 0.00 H +ATOM 3112 HW2 SOL 513 57.400 2.800 45.010 1.00 0.00 H +ATOM 3113 OW SOL 514 13.490 20.050 43.820 1.00 0.00 O +ATOM 3114 HW1 SOL 514 12.740 19.620 43.410 1.00 0.00 H +ATOM 3115 HW2 SOL 514 13.640 20.830 43.300 1.00 0.00 H +ATOM 3116 OW SOL 515 13.490 33.390 37.900 1.00 0.00 O +ATOM 3117 HW1 SOL 515 12.600 33.190 37.610 1.00 0.00 H +ATOM 3118 HW2 SOL 515 13.670 34.260 37.530 1.00 0.00 H +ATOM 3119 OW SOL 516 63.110 43.260 37.830 1.00 0.00 O +ATOM 3120 HW1 SOL 516 62.910 44.110 37.440 1.00 0.00 H +ATOM 3121 HW2 SOL 516 62.560 43.230 38.610 1.00 0.00 H +ATOM 3122 OW SOL 517 45.270 18.400 41.110 1.00 0.00 O +ATOM 3123 HW1 SOL 517 45.590 18.880 40.340 1.00 0.00 H +ATOM 3124 HW2 SOL 517 45.200 19.070 41.790 1.00 0.00 H +ATOM 3125 OW SOL 518 20.310 14.800 47.150 1.00 0.00 O +ATOM 3126 HW1 SOL 518 19.940 14.020 46.720 1.00 0.00 H +ATOM 3127 HW2 SOL 518 20.900 14.450 47.820 1.00 0.00 H +ATOM 3128 OW SOL 519 64.000 36.220 48.470 1.00 0.00 O +ATOM 3129 HW1 SOL 519 64.610 35.910 47.790 1.00 0.00 H +ATOM 3130 HW2 SOL 519 63.370 36.760 47.990 1.00 0.00 H +ATOM 3131 OW SOL 520 51.390 59.380 24.510 1.00 0.00 O +ATOM 3132 HW1 SOL 520 50.590 59.610 24.040 1.00 0.00 H +ATOM 3133 HW2 SOL 520 51.100 59.160 25.390 1.00 0.00 H +ATOM 3134 OW SOL 521 17.870 11.600 6.620 1.00 0.00 O +ATOM 3135 HW1 SOL 521 18.560 12.170 6.280 1.00 0.00 H +ATOM 3136 HW2 SOL 521 17.770 10.920 5.960 1.00 0.00 H +ATOM 3137 OW SOL 522 21.050 7.060 13.520 1.00 0.00 O +ATOM 3138 HW1 SOL 522 20.610 6.400 14.050 1.00 0.00 H +ATOM 3139 HW2 SOL 522 20.900 6.780 12.620 1.00 0.00 H +ATOM 3140 OW SOL 523 34.500 19.380 48.490 1.00 0.00 O +ATOM 3141 HW1 SOL 523 34.630 19.260 49.430 1.00 0.00 H +ATOM 3142 HW2 SOL 523 33.780 18.790 48.270 1.00 0.00 H +ATOM 3143 OW SOL 524 36.060 26.220 20.330 1.00 0.00 O +ATOM 3144 HW1 SOL 524 35.640 25.540 20.860 1.00 0.00 H +ATOM 3145 HW2 SOL 524 35.360 26.550 19.770 1.00 0.00 H +ATOM 3146 OW SOL 525 20.090 50.910 9.350 1.00 0.00 O +ATOM 3147 HW1 SOL 525 20.360 51.790 9.080 1.00 0.00 H +ATOM 3148 HW2 SOL 525 19.640 50.550 8.590 1.00 0.00 H +ATOM 3149 OW SOL 526 54.290 36.290 34.010 1.00 0.00 O +ATOM 3150 HW1 SOL 526 53.440 35.850 34.050 1.00 0.00 H +ATOM 3151 HW2 SOL 526 54.570 36.360 34.920 1.00 0.00 H +ATOM 3152 OW SOL 527 40.790 43.810 49.890 1.00 0.00 O +ATOM 3153 HW1 SOL 527 39.970 43.620 49.430 1.00 0.00 H +ATOM 3154 HW2 SOL 527 41.460 43.740 49.210 1.00 0.00 H +ATOM 3155 OW SOL 528 40.750 1.160 4.710 1.00 0.00 O +ATOM 3156 HW1 SOL 528 41.660 1.430 4.780 1.00 0.00 H +ATOM 3157 HW2 SOL 528 40.310 1.600 5.440 1.00 0.00 H +ATOM 3158 OW SOL 529 44.110 52.970 38.620 1.00 0.00 O +ATOM 3159 HW1 SOL 529 44.100 53.900 38.840 1.00 0.00 H +ATOM 3160 HW2 SOL 529 44.260 52.520 39.450 1.00 0.00 H +ATOM 3161 OW SOL 530 52.430 15.720 4.050 1.00 0.00 O +ATOM 3162 HW1 SOL 530 52.440 16.660 4.220 1.00 0.00 H +ATOM 3163 HW2 SOL 530 52.620 15.320 4.900 1.00 0.00 H +ATOM 3164 OW SOL 531 50.730 52.840 39.230 1.00 0.00 O +ATOM 3165 HW1 SOL 531 51.610 52.490 39.080 1.00 0.00 H +ATOM 3166 HW2 SOL 531 50.750 53.180 40.120 1.00 0.00 H +ATOM 3167 OW SOL 532 51.080 43.490 47.230 1.00 0.00 O +ATOM 3168 HW1 SOL 532 50.240 43.180 46.910 1.00 0.00 H +ATOM 3169 HW2 SOL 532 51.120 44.400 46.970 1.00 0.00 H +ATOM 3170 OW SOL 533 11.030 37.970 6.290 1.00 0.00 O +ATOM 3171 HW1 SOL 533 11.160 38.800 5.830 1.00 0.00 H +ATOM 3172 HW2 SOL 533 10.950 38.230 7.210 1.00 0.00 H +ATOM 3173 OW SOL 534 39.890 42.640 11.920 1.00 0.00 O +ATOM 3174 HW1 SOL 534 40.190 43.150 11.170 1.00 0.00 H +ATOM 3175 HW2 SOL 534 40.500 42.860 12.620 1.00 0.00 H +ATOM 3176 OW SOL 535 44.640 24.630 -0.020 1.00 0.00 O +ATOM 3177 HW1 SOL 535 43.840 24.130 0.090 1.00 0.00 H +ATOM 3178 HW2 SOL 535 44.810 25.000 0.850 1.00 0.00 H +ATOM 3179 OW SOL 536 16.830 1.250 26.080 1.00 0.00 O +ATOM 3180 HW1 SOL 536 16.580 0.980 25.200 1.00 0.00 H +ATOM 3181 HW2 SOL 536 17.460 0.590 26.370 1.00 0.00 H +ATOM 3182 OW SOL 537 0.370 15.920 24.630 1.00 0.00 O +ATOM 3183 HW1 SOL 537 -0.500 16.220 24.380 1.00 0.00 H +ATOM 3184 HW2 SOL 537 0.530 15.170 24.050 1.00 0.00 H +ATOM 3185 OW SOL 538 56.550 51.230 9.050 1.00 0.00 O +ATOM 3186 HW1 SOL 538 56.050 52.030 9.230 1.00 0.00 H +ATOM 3187 HW2 SOL 538 56.070 50.810 8.340 1.00 0.00 H +ATOM 3188 OW SOL 539 38.350 0.830 43.870 1.00 0.00 O +ATOM 3189 HW1 SOL 539 39.130 0.500 44.310 1.00 0.00 H +ATOM 3190 HW2 SOL 539 38.290 1.740 44.140 1.00 0.00 H +ATOM 3191 OW SOL 540 51.250 9.940 3.030 1.00 0.00 O +ATOM 3192 HW1 SOL 540 51.740 10.480 2.400 1.00 0.00 H +ATOM 3193 HW2 SOL 540 51.900 9.340 3.380 1.00 0.00 H +ATOM 3194 OW SOL 541 39.170 31.850 13.670 1.00 0.00 O +ATOM 3195 HW1 SOL 541 40.030 31.900 13.260 1.00 0.00 H +ATOM 3196 HW2 SOL 541 39.250 32.350 14.480 1.00 0.00 H +ATOM 3197 OW SOL 542 40.760 55.030 46.840 1.00 0.00 O +ATOM 3198 HW1 SOL 542 40.420 55.660 47.480 1.00 0.00 H +ATOM 3199 HW2 SOL 542 41.510 55.480 46.440 1.00 0.00 H +ATOM 3200 OW SOL 543 30.480 61.820 30.400 1.00 0.00 O +ATOM 3201 HW1 SOL 543 29.600 61.470 30.230 1.00 0.00 H +ATOM 3202 HW2 SOL 543 30.490 61.980 31.350 1.00 0.00 H +ATOM 3203 OW SOL 544 44.230 22.260 7.830 1.00 0.00 O +ATOM 3204 HW1 SOL 544 44.140 21.600 8.510 1.00 0.00 H +ATOM 3205 HW2 SOL 544 43.380 22.270 7.390 1.00 0.00 H +ATOM 3206 OW SOL 545 60.340 3.790 43.210 1.00 0.00 O +ATOM 3207 HW1 SOL 545 60.920 3.550 42.500 1.00 0.00 H +ATOM 3208 HW2 SOL 545 59.470 3.790 42.820 1.00 0.00 H +ATOM 3209 OW SOL 546 54.460 3.610 12.120 1.00 0.00 O +ATOM 3210 HW1 SOL 546 53.550 3.370 11.950 1.00 0.00 H +ATOM 3211 HW2 SOL 546 54.930 3.360 11.330 1.00 0.00 H +ATOM 3212 OW SOL 547 56.840 48.890 50.000 1.00 0.00 O +ATOM 3213 HW1 SOL 547 56.980 48.550 49.110 1.00 0.00 H +ATOM 3214 HW2 SOL 547 57.130 48.180 50.580 1.00 0.00 H +ATOM 3215 OW SOL 548 55.270 23.630 34.850 1.00 0.00 O +ATOM 3216 HW1 SOL 548 56.100 23.630 35.320 1.00 0.00 H +ATOM 3217 HW2 SOL 548 55.350 24.350 34.220 1.00 0.00 H +ATOM 3218 OW SOL 549 61.080 17.550 45.460 1.00 0.00 O +ATOM 3219 HW1 SOL 549 60.260 17.090 45.640 1.00 0.00 H +ATOM 3220 HW2 SOL 549 61.000 17.830 44.550 1.00 0.00 H +ATOM 3221 OW SOL 550 11.910 14.450 16.660 1.00 0.00 O +ATOM 3222 HW1 SOL 550 12.280 13.640 17.010 1.00 0.00 H +ATOM 3223 HW2 SOL 550 11.340 14.780 17.350 1.00 0.00 H +ATOM 3224 OW SOL 551 61.430 45.120 28.170 1.00 0.00 O +ATOM 3225 HW1 SOL 551 62.230 44.590 28.150 1.00 0.00 H +ATOM 3226 HW2 SOL 551 61.510 45.690 27.410 1.00 0.00 H +ATOM 3227 OW SOL 552 2.860 28.250 51.030 1.00 0.00 O +ATOM 3228 HW1 SOL 552 2.770 29.180 50.820 1.00 0.00 H +ATOM 3229 HW2 SOL 552 2.180 27.830 50.500 1.00 0.00 H +ATOM 3230 OW SOL 553 44.760 26.370 46.380 1.00 0.00 O +ATOM 3231 HW1 SOL 553 44.730 26.070 45.470 1.00 0.00 H +ATOM 3232 HW2 SOL 553 44.290 27.200 46.370 1.00 0.00 H +ATOM 3233 OW SOL 554 12.730 56.640 2.570 1.00 0.00 O +ATOM 3234 HW1 SOL 554 13.350 56.890 1.890 1.00 0.00 H +ATOM 3235 HW2 SOL 554 13.130 55.900 3.010 1.00 0.00 H +ATOM 3236 OW SOL 555 14.370 38.090 35.470 1.00 0.00 O +ATOM 3237 HW1 SOL 555 14.730 38.180 34.590 1.00 0.00 H +ATOM 3238 HW2 SOL 555 14.500 38.950 35.870 1.00 0.00 H +ATOM 3239 OW SOL 556 24.500 28.120 9.130 1.00 0.00 O +ATOM 3240 HW1 SOL 556 24.420 27.170 9.030 1.00 0.00 H +ATOM 3241 HW2 SOL 556 24.030 28.490 8.390 1.00 0.00 H +ATOM 3242 OW SOL 557 6.960 0.010 49.270 1.00 0.00 O +ATOM 3243 HW1 SOL 557 6.640 0.870 49.000 1.00 0.00 H +ATOM 3244 HW2 SOL 557 6.460 -0.620 48.740 1.00 0.00 H +ATOM 3245 OW SOL 558 12.330 33.880 21.360 1.00 0.00 O +ATOM 3246 HW1 SOL 558 12.410 34.690 20.840 1.00 0.00 H +ATOM 3247 HW2 SOL 558 13.230 33.660 21.590 1.00 0.00 H +ATOM 3248 OW SOL 559 32.650 61.400 28.830 1.00 0.00 O +ATOM 3249 HW1 SOL 559 32.000 61.660 29.480 1.00 0.00 H +ATOM 3250 HW2 SOL 559 32.200 61.510 27.990 1.00 0.00 H +ATOM 3251 OW SOL 560 59.230 9.770 30.000 1.00 0.00 O +ATOM 3252 HW1 SOL 560 59.360 10.630 29.610 1.00 0.00 H +ATOM 3253 HW2 SOL 560 59.820 9.200 29.510 1.00 0.00 H +ATOM 3254 OW SOL 561 65.380 43.600 53.130 1.00 0.00 O +ATOM 3255 HW1 SOL 561 64.480 43.920 53.230 1.00 0.00 H +ATOM 3256 HW2 SOL 561 65.790 44.210 52.520 1.00 0.00 H +ATOM 3257 OW SOL 562 54.000 11.830 9.200 1.00 0.00 O +ATOM 3258 HW1 SOL 562 53.290 12.460 9.140 1.00 0.00 H +ATOM 3259 HW2 SOL 562 54.180 11.760 10.130 1.00 0.00 H +ATOM 3260 OW SOL 563 24.080 37.620 10.830 1.00 0.00 O +ATOM 3261 HW1 SOL 563 23.150 37.390 10.940 1.00 0.00 H +ATOM 3262 HW2 SOL 563 24.110 38.070 9.990 1.00 0.00 H +ATOM 3263 OW SOL 564 50.250 11.980 50.920 1.00 0.00 O +ATOM 3264 HW1 SOL 564 50.090 12.900 50.720 1.00 0.00 H +ATOM 3265 HW2 SOL 564 49.500 11.520 50.540 1.00 0.00 H +ATOM 3266 OW SOL 565 3.860 44.750 33.710 1.00 0.00 O +ATOM 3267 HW1 SOL 565 3.420 45.500 33.300 1.00 0.00 H +ATOM 3268 HW2 SOL 565 3.380 44.610 34.530 1.00 0.00 H +ATOM 3269 OW SOL 566 61.900 51.860 3.830 1.00 0.00 O +ATOM 3270 HW1 SOL 566 62.430 52.160 4.570 1.00 0.00 H +ATOM 3271 HW2 SOL 566 62.340 52.230 3.060 1.00 0.00 H +ATOM 3272 OW SOL 567 6.290 45.720 34.290 1.00 0.00 O +ATOM 3273 HW1 SOL 567 6.870 44.990 34.080 1.00 0.00 H +ATOM 3274 HW2 SOL 567 5.410 45.400 34.090 1.00 0.00 H +ATOM 3275 OW SOL 568 57.980 1.670 4.220 1.00 0.00 O +ATOM 3276 HW1 SOL 568 58.500 2.130 4.880 1.00 0.00 H +ATOM 3277 HW2 SOL 568 57.320 2.310 3.950 1.00 0.00 H +ATOM 3278 OW SOL 569 26.950 57.030 10.330 1.00 0.00 O +ATOM 3279 HW1 SOL 569 26.360 57.050 11.090 1.00 0.00 H +ATOM 3280 HW2 SOL 569 26.450 57.440 9.630 1.00 0.00 H +ATOM 3281 OW SOL 570 15.680 47.360 2.890 1.00 0.00 O +ATOM 3282 HW1 SOL 570 15.210 47.260 3.710 1.00 0.00 H +ATOM 3283 HW2 SOL 570 15.040 47.720 2.280 1.00 0.00 H +ATOM 3284 OW SOL 571 58.000 38.270 40.740 1.00 0.00 O +ATOM 3285 HW1 SOL 571 58.530 38.300 41.530 1.00 0.00 H +ATOM 3286 HW2 SOL 571 58.630 38.390 40.020 1.00 0.00 H +ATOM 3287 OW SOL 572 44.830 11.710 14.190 1.00 0.00 O +ATOM 3288 HW1 SOL 572 45.480 12.380 13.980 1.00 0.00 H +ATOM 3289 HW2 SOL 572 45.120 11.340 15.020 1.00 0.00 H +ATOM 3290 OW SOL 573 15.280 14.060 18.820 1.00 0.00 O +ATOM 3291 HW1 SOL 573 14.760 14.710 19.290 1.00 0.00 H +ATOM 3292 HW2 SOL 573 15.190 14.290 17.900 1.00 0.00 H +ATOM 3293 OW SOL 574 28.650 14.510 29.670 1.00 0.00 O +ATOM 3294 HW1 SOL 574 28.010 15.110 29.290 1.00 0.00 H +ATOM 3295 HW2 SOL 574 28.120 13.890 30.190 1.00 0.00 H +ATOM 3296 OW SOL 575 28.470 25.390 24.480 1.00 0.00 O +ATOM 3297 HW1 SOL 575 28.230 25.080 23.610 1.00 0.00 H +ATOM 3298 HW2 SOL 575 28.630 24.600 24.990 1.00 0.00 H +ATOM 3299 OW SOL 576 27.710 50.910 42.000 1.00 0.00 O +ATOM 3300 HW1 SOL 576 27.020 51.070 42.640 1.00 0.00 H +ATOM 3301 HW2 SOL 576 27.810 49.950 41.980 1.00 0.00 H +ATOM 3302 OW SOL 577 35.130 16.360 49.250 1.00 0.00 O +ATOM 3303 HW1 SOL 577 34.440 16.310 49.900 1.00 0.00 H +ATOM 3304 HW2 SOL 577 35.600 17.170 49.460 1.00 0.00 H +ATOM 3305 OW SOL 578 16.660 18.090 52.590 1.00 0.00 O +ATOM 3306 HW1 SOL 578 16.280 17.320 52.170 1.00 0.00 H +ATOM 3307 HW2 SOL 578 15.920 18.690 52.690 1.00 0.00 H +ATOM 3308 OW SOL 579 61.060 14.900 28.230 1.00 0.00 O +ATOM 3309 HW1 SOL 579 60.410 15.390 27.730 1.00 0.00 H +ATOM 3310 HW2 SOL 579 60.630 14.740 29.080 1.00 0.00 H +ATOM 3311 OW SOL 580 13.640 8.450 50.170 1.00 0.00 O +ATOM 3312 HW1 SOL 580 14.350 7.870 50.430 1.00 0.00 H +ATOM 3313 HW2 SOL 580 13.700 9.190 50.770 1.00 0.00 H +ATOM 3314 OW SOL 581 45.020 21.390 12.560 1.00 0.00 O +ATOM 3315 HW1 SOL 581 44.390 21.510 11.850 1.00 0.00 H +ATOM 3316 HW2 SOL 581 45.260 22.280 12.820 1.00 0.00 H +ATOM 3317 OW SOL 582 19.980 23.370 6.140 1.00 0.00 O +ATOM 3318 HW1 SOL 582 19.570 24.230 6.270 1.00 0.00 H +ATOM 3319 HW2 SOL 582 20.630 23.320 6.850 1.00 0.00 H +ATOM 3320 OW SOL 583 25.100 14.720 51.140 1.00 0.00 O +ATOM 3321 HW1 SOL 583 24.650 14.010 50.690 1.00 0.00 H +ATOM 3322 HW2 SOL 583 24.420 15.120 51.680 1.00 0.00 H +ATOM 3323 OW SOL 584 58.600 41.850 42.140 1.00 0.00 O +ATOM 3324 HW1 SOL 584 58.620 42.270 43.000 1.00 0.00 H +ATOM 3325 HW2 SOL 584 59.270 42.310 41.630 1.00 0.00 H +ATOM 3326 OW SOL 585 58.280 5.550 20.100 1.00 0.00 O +ATOM 3327 HW1 SOL 585 59.090 5.450 19.590 1.00 0.00 H +ATOM 3328 HW2 SOL 585 58.210 6.500 20.250 1.00 0.00 H +ATOM 3329 OW SOL 586 3.660 25.110 23.140 1.00 0.00 O +ATOM 3330 HW1 SOL 586 3.950 25.420 22.280 1.00 0.00 H +ATOM 3331 HW2 SOL 586 2.720 25.300 23.160 1.00 0.00 H +ATOM 3332 OW SOL 587 31.460 20.740 37.540 1.00 0.00 O +ATOM 3333 HW1 SOL 587 30.840 20.740 38.270 1.00 0.00 H +ATOM 3334 HW2 SOL 587 31.690 19.820 37.420 1.00 0.00 H +ATOM 3335 OW SOL 588 6.500 46.940 17.260 1.00 0.00 O +ATOM 3336 HW1 SOL 588 7.020 47.690 16.960 1.00 0.00 H +ATOM 3337 HW2 SOL 588 5.890 46.770 16.540 1.00 0.00 H +ATOM 3338 OW SOL 589 36.140 4.070 12.150 1.00 0.00 O +ATOM 3339 HW1 SOL 589 35.410 4.380 12.690 1.00 0.00 H +ATOM 3340 HW2 SOL 589 36.920 4.290 12.660 1.00 0.00 H +ATOM 3341 OW SOL 590 50.860 17.190 36.000 1.00 0.00 O +ATOM 3342 HW1 SOL 590 50.520 18.050 35.790 1.00 0.00 H +ATOM 3343 HW2 SOL 590 51.230 16.860 35.180 1.00 0.00 H +ATOM 3344 OW SOL 591 43.850 26.840 16.130 1.00 0.00 O +ATOM 3345 HW1 SOL 591 43.190 26.150 16.170 1.00 0.00 H +ATOM 3346 HW2 SOL 591 43.380 27.650 16.340 1.00 0.00 H +ATOM 3347 OW SOL 592 9.390 1.740 37.170 1.00 0.00 O +ATOM 3348 HW1 SOL 592 10.190 1.680 37.690 1.00 0.00 H +ATOM 3349 HW2 SOL 592 8.710 2.020 37.780 1.00 0.00 H +ATOM 3350 OW SOL 593 56.440 57.680 15.600 1.00 0.00 O +ATOM 3351 HW1 SOL 593 56.510 56.870 16.110 1.00 0.00 H +ATOM 3352 HW2 SOL 593 56.060 58.310 16.210 1.00 0.00 H +ATOM 3353 OW SOL 594 65.410 39.870 21.550 1.00 0.00 O +ATOM 3354 HW1 SOL 594 64.910 40.680 21.680 1.00 0.00 H +ATOM 3355 HW2 SOL 594 65.520 39.800 20.600 1.00 0.00 H +ATOM 3356 OW SOL 595 33.690 4.230 7.960 1.00 0.00 O +ATOM 3357 HW1 SOL 595 33.820 4.770 8.740 1.00 0.00 H +ATOM 3358 HW2 SOL 595 33.140 3.510 8.260 1.00 0.00 H +ATOM 3359 OW SOL 596 20.150 16.240 38.730 1.00 0.00 O +ATOM 3360 HW1 SOL 596 20.390 16.380 39.640 1.00 0.00 H +ATOM 3361 HW2 SOL 596 19.800 15.350 38.700 1.00 0.00 H +ATOM 3362 OW SOL 597 37.180 2.340 49.080 1.00 0.00 O +ATOM 3363 HW1 SOL 597 37.200 2.130 48.150 1.00 0.00 H +ATOM 3364 HW2 SOL 597 36.960 1.510 49.520 1.00 0.00 H +ATOM 3365 OW SOL 598 17.650 21.300 28.580 1.00 0.00 O +ATOM 3366 HW1 SOL 598 17.760 22.020 29.210 1.00 0.00 H +ATOM 3367 HW2 SOL 598 16.740 21.380 28.290 1.00 0.00 H +ATOM 3368 OW SOL 599 10.440 19.470 51.740 1.00 0.00 O +ATOM 3369 HW1 SOL 599 10.710 20.220 51.200 1.00 0.00 H +ATOM 3370 HW2 SOL 599 10.010 19.870 52.500 1.00 0.00 H +ATOM 3371 OW SOL 600 53.230 60.120 50.380 1.00 0.00 O +ATOM 3372 HW1 SOL 600 52.650 60.000 51.130 1.00 0.00 H +ATOM 3373 HW2 SOL 600 52.910 60.920 49.960 1.00 0.00 H +ATOM 3374 OW SOL 601 61.660 4.250 32.590 1.00 0.00 O +ATOM 3375 HW1 SOL 601 60.880 3.930 33.040 1.00 0.00 H +ATOM 3376 HW2 SOL 601 61.680 5.190 32.790 1.00 0.00 H +ATOM 3377 OW SOL 602 37.530 1.480 23.590 1.00 0.00 O +ATOM 3378 HW1 SOL 602 36.610 1.290 23.410 1.00 0.00 H +ATOM 3379 HW2 SOL 602 38.010 0.740 23.200 1.00 0.00 H +ATOM 3380 OW SOL 603 62.770 27.020 9.090 1.00 0.00 O +ATOM 3381 HW1 SOL 603 63.460 27.200 9.730 1.00 0.00 H +ATOM 3382 HW2 SOL 603 62.140 26.480 9.560 1.00 0.00 H +ATOM 3383 OW SOL 604 60.520 20.550 32.850 1.00 0.00 O +ATOM 3384 HW1 SOL 604 61.090 21.320 32.860 1.00 0.00 H +ATOM 3385 HW2 SOL 604 59.640 20.900 32.980 1.00 0.00 H +ATOM 3386 OW SOL 605 56.510 6.740 1.480 1.00 0.00 O +ATOM 3387 HW1 SOL 605 55.990 6.260 2.120 1.00 0.00 H +ATOM 3388 HW2 SOL 605 55.930 6.840 0.720 1.00 0.00 H +ATOM 3389 OW SOL 606 52.090 5.780 52.840 1.00 0.00 O +ATOM 3390 HW1 SOL 606 51.390 5.660 52.210 1.00 0.00 H +ATOM 3391 HW2 SOL 606 52.390 6.680 52.690 1.00 0.00 H +ATOM 3392 OW SOL 607 21.050 29.120 18.860 1.00 0.00 O +ATOM 3393 HW1 SOL 607 21.120 28.650 18.030 1.00 0.00 H +ATOM 3394 HW2 SOL 607 21.950 29.240 19.150 1.00 0.00 H +ATOM 3395 OW SOL 608 57.300 31.620 23.560 1.00 0.00 O +ATOM 3396 HW1 SOL 608 56.820 32.000 22.830 1.00 0.00 H +ATOM 3397 HW2 SOL 608 57.180 30.680 23.470 1.00 0.00 H +ATOM 3398 OW SOL 609 1.100 55.450 11.930 1.00 0.00 O +ATOM 3399 HW1 SOL 609 1.250 54.830 11.220 1.00 0.00 H +ATOM 3400 HW2 SOL 609 0.530 56.120 11.560 1.00 0.00 H +ATOM 3401 OW SOL 610 23.820 35.970 43.120 1.00 0.00 O +ATOM 3402 HW1 SOL 610 23.290 35.620 42.400 1.00 0.00 H +ATOM 3403 HW2 SOL 610 24.510 35.310 43.250 1.00 0.00 H +ATOM 3404 OW SOL 611 62.500 51.950 34.870 1.00 0.00 O +ATOM 3405 HW1 SOL 611 63.000 51.580 35.590 1.00 0.00 H +ATOM 3406 HW2 SOL 611 61.870 51.260 34.640 1.00 0.00 H +ATOM 3407 OW SOL 612 41.770 28.280 18.060 1.00 0.00 O +ATOM 3408 HW1 SOL 612 40.890 27.920 18.120 1.00 0.00 H +ATOM 3409 HW2 SOL 612 41.800 28.710 17.200 1.00 0.00 H +ATOM 3410 OW SOL 613 4.820 47.620 19.550 1.00 0.00 O +ATOM 3411 HW1 SOL 613 5.090 47.000 20.230 1.00 0.00 H +ATOM 3412 HW2 SOL 613 5.140 47.230 18.730 1.00 0.00 H +ATOM 3413 OW SOL 614 18.200 24.780 26.670 1.00 0.00 O +ATOM 3414 HW1 SOL 614 18.280 24.480 27.570 1.00 0.00 H +ATOM 3415 HW2 SOL 614 17.640 24.130 26.250 1.00 0.00 H +ATOM 3416 OW SOL 615 46.160 19.050 1.720 1.00 0.00 O +ATOM 3417 HW1 SOL 615 46.900 19.040 2.330 1.00 0.00 H +ATOM 3418 HW2 SOL 615 46.180 18.190 1.300 1.00 0.00 H +ATOM 3419 OW SOL 616 4.650 18.650 35.120 1.00 0.00 O +ATOM 3420 HW1 SOL 616 4.840 18.750 34.190 1.00 0.00 H +ATOM 3421 HW2 SOL 616 3.710 18.480 35.160 1.00 0.00 H +ATOM 3422 OW SOL 617 21.020 58.960 41.560 1.00 0.00 O +ATOM 3423 HW1 SOL 617 21.880 59.150 41.950 1.00 0.00 H +ATOM 3424 HW2 SOL 617 21.160 58.170 41.040 1.00 0.00 H +ATOM 3425 OW SOL 618 23.990 52.280 42.970 1.00 0.00 O +ATOM 3426 HW1 SOL 618 23.670 53.170 42.820 1.00 0.00 H +ATOM 3427 HW2 SOL 618 23.990 51.880 42.100 1.00 0.00 H +ATOM 3428 OW SOL 619 41.390 50.040 9.290 1.00 0.00 O +ATOM 3429 HW1 SOL 619 40.640 49.760 8.780 1.00 0.00 H +ATOM 3430 HW2 SOL 619 41.010 50.400 10.100 1.00 0.00 H +ATOM 3431 OW SOL 620 14.850 9.580 16.770 1.00 0.00 O +ATOM 3432 HW1 SOL 620 14.380 8.800 17.060 1.00 0.00 H +ATOM 3433 HW2 SOL 620 14.550 9.730 15.870 1.00 0.00 H +ATOM 3434 OW SOL 621 7.450 45.930 7.070 1.00 0.00 O +ATOM 3435 HW1 SOL 621 7.670 46.310 7.920 1.00 0.00 H +ATOM 3436 HW2 SOL 621 7.260 46.690 6.510 1.00 0.00 H +ATOM 3437 OW SOL 622 18.730 24.970 1.080 1.00 0.00 O +ATOM 3438 HW1 SOL 622 18.490 25.670 0.470 1.00 0.00 H +ATOM 3439 HW2 SOL 622 19.530 25.280 1.500 1.00 0.00 H +ATOM 3440 OW SOL 623 8.330 14.620 51.340 1.00 0.00 O +ATOM 3441 HW1 SOL 623 9.200 14.600 50.940 1.00 0.00 H +ATOM 3442 HW2 SOL 623 7.870 13.870 50.960 1.00 0.00 H +ATOM 3443 OW SOL 624 12.890 30.520 42.080 1.00 0.00 O +ATOM 3444 HW1 SOL 624 12.590 29.820 41.510 1.00 0.00 H +ATOM 3445 HW2 SOL 624 12.540 31.320 41.690 1.00 0.00 H +ATOM 3446 OW SOL 625 25.400 11.160 36.420 1.00 0.00 O +ATOM 3447 HW1 SOL 625 26.080 11.100 35.750 1.00 0.00 H +ATOM 3448 HW2 SOL 625 25.050 10.270 36.490 1.00 0.00 H +ATOM 3449 OW SOL 626 58.300 27.500 35.120 1.00 0.00 O +ATOM 3450 HW1 SOL 626 58.840 26.850 35.560 1.00 0.00 H +ATOM 3451 HW2 SOL 626 57.920 28.020 35.830 1.00 0.00 H +ATOM 3452 OW SOL 627 17.650 13.490 24.360 1.00 0.00 O +ATOM 3453 HW1 SOL 627 17.430 13.300 25.270 1.00 0.00 H +ATOM 3454 HW2 SOL 627 17.110 14.260 24.140 1.00 0.00 H +ATOM 3455 OW SOL 628 0.850 46.250 52.990 1.00 0.00 O +ATOM 3456 HW1 SOL 628 1.430 46.590 52.300 1.00 0.00 H +ATOM 3457 HW2 SOL 628 1.380 46.290 53.790 1.00 0.00 H +ATOM 3458 OW SOL 629 63.440 17.460 46.910 1.00 0.00 O +ATOM 3459 HW1 SOL 629 63.770 16.870 46.230 1.00 0.00 H +ATOM 3460 HW2 SOL 629 62.570 17.720 46.590 1.00 0.00 H +ATOM 3461 OW SOL 630 29.050 14.220 7.050 1.00 0.00 O +ATOM 3462 HW1 SOL 630 29.490 15.040 7.270 1.00 0.00 H +ATOM 3463 HW2 SOL 630 28.220 14.500 6.660 1.00 0.00 H +ATOM 3464 OW SOL 631 23.370 0.360 23.950 1.00 0.00 O +ATOM 3465 HW1 SOL 631 23.220 -0.520 24.310 1.00 0.00 H +ATOM 3466 HW2 SOL 631 23.570 0.210 23.030 1.00 0.00 H +ATOM 3467 OW SOL 632 46.890 17.620 23.390 1.00 0.00 O +ATOM 3468 HW1 SOL 632 47.000 16.760 23.810 1.00 0.00 H +ATOM 3469 HW2 SOL 632 46.100 17.520 22.850 1.00 0.00 H +ATOM 3470 OW SOL 633 45.380 59.570 16.390 1.00 0.00 O +ATOM 3471 HW1 SOL 633 44.730 59.160 15.810 1.00 0.00 H +ATOM 3472 HW2 SOL 633 46.180 59.070 16.250 1.00 0.00 H +ATOM 3473 OW SOL 634 25.910 45.020 42.470 1.00 0.00 O +ATOM 3474 HW1 SOL 634 25.110 45.150 41.960 1.00 0.00 H +ATOM 3475 HW2 SOL 634 25.600 44.850 43.360 1.00 0.00 H +ATOM 3476 OW SOL 635 21.560 49.300 12.530 1.00 0.00 O +ATOM 3477 HW1 SOL 635 20.740 49.230 12.040 1.00 0.00 H +ATOM 3478 HW2 SOL 635 21.860 50.190 12.380 1.00 0.00 H +ATOM 3479 OW SOL 636 12.500 10.870 5.520 1.00 0.00 O +ATOM 3480 HW1 SOL 636 12.480 10.210 4.820 1.00 0.00 H +ATOM 3481 HW2 SOL 636 13.260 11.410 5.310 1.00 0.00 H +ATOM 3482 OW SOL 637 3.080 47.180 33.150 1.00 0.00 O +ATOM 3483 HW1 SOL 637 3.660 47.780 32.690 1.00 0.00 H +ATOM 3484 HW2 SOL 637 3.130 47.460 34.070 1.00 0.00 H +ATOM 3485 OW SOL 638 31.150 53.270 46.830 1.00 0.00 O +ATOM 3486 HW1 SOL 638 30.600 52.590 46.460 1.00 0.00 H +ATOM 3487 HW2 SOL 638 31.180 53.950 46.160 1.00 0.00 H +ATOM 3488 OW SOL 639 31.550 47.180 6.040 1.00 0.00 O +ATOM 3489 HW1 SOL 639 31.250 46.420 6.550 1.00 0.00 H +ATOM 3490 HW2 SOL 639 31.530 46.890 5.130 1.00 0.00 H +ATOM 3491 OW SOL 640 47.190 28.370 49.930 1.00 0.00 O +ATOM 3492 HW1 SOL 640 46.600 29.060 49.650 1.00 0.00 H +ATOM 3493 HW2 SOL 640 47.140 27.700 49.250 1.00 0.00 H +ATOM 3494 OW SOL 641 29.620 42.540 42.110 1.00 0.00 O +ATOM 3495 HW1 SOL 641 29.360 43.360 41.690 1.00 0.00 H +ATOM 3496 HW2 SOL 641 30.530 42.690 42.370 1.00 0.00 H +ATOM 3497 OW SOL 642 55.580 55.130 16.860 1.00 0.00 O +ATOM 3498 HW1 SOL 642 55.280 55.040 15.960 1.00 0.00 H +ATOM 3499 HW2 SOL 642 54.810 55.400 17.350 1.00 0.00 H +ATOM 3500 OW SOL 643 64.650 38.940 10.130 1.00 0.00 O +ATOM 3501 HW1 SOL 643 64.110 39.020 10.910 1.00 0.00 H +ATOM 3502 HW2 SOL 643 64.210 38.300 9.590 1.00 0.00 H +ATOM 3503 OW SOL 644 18.840 16.390 49.280 1.00 0.00 O +ATOM 3504 HW1 SOL 644 18.960 15.900 48.470 1.00 0.00 H +ATOM 3505 HW2 SOL 644 19.650 16.900 49.370 1.00 0.00 H +ATOM 3506 OW SOL 645 19.770 16.000 12.790 1.00 0.00 O +ATOM 3507 HW1 SOL 645 18.850 15.880 13.000 1.00 0.00 H +ATOM 3508 HW2 SOL 645 19.890 15.550 11.950 1.00 0.00 H +ATOM 3509 OW SOL 646 3.760 12.070 20.640 1.00 0.00 O +ATOM 3510 HW1 SOL 646 3.510 11.260 21.070 1.00 0.00 H +ATOM 3511 HW2 SOL 646 3.860 12.700 21.350 1.00 0.00 H +ATOM 3512 OW SOL 647 38.970 45.160 43.430 1.00 0.00 O +ATOM 3513 HW1 SOL 647 38.770 45.870 42.820 1.00 0.00 H +ATOM 3514 HW2 SOL 647 39.920 45.110 43.430 1.00 0.00 H +ATOM 3515 OW SOL 648 8.010 23.210 52.790 1.00 0.00 O +ATOM 3516 HW1 SOL 648 8.650 23.210 52.080 1.00 0.00 H +ATOM 3517 HW2 SOL 648 7.930 22.280 53.030 1.00 0.00 H +ATOM 3518 OW SOL 649 4.460 52.810 36.930 1.00 0.00 O +ATOM 3519 HW1 SOL 649 4.620 53.360 37.690 1.00 0.00 H +ATOM 3520 HW2 SOL 649 5.050 53.150 36.250 1.00 0.00 H +ATOM 3521 OW SOL 650 50.720 3.430 34.210 1.00 0.00 O +ATOM 3522 HW1 SOL 650 51.140 3.440 35.080 1.00 0.00 H +ATOM 3523 HW2 SOL 650 49.780 3.470 34.390 1.00 0.00 H +ATOM 3524 OW SOL 651 32.360 37.130 53.220 1.00 0.00 O +ATOM 3525 HW1 SOL 651 32.100 37.330 52.320 1.00 0.00 H +ATOM 3526 HW2 SOL 651 31.570 36.770 53.630 1.00 0.00 H +ATOM 3527 OW SOL 652 45.670 60.610 10.930 1.00 0.00 O +ATOM 3528 HW1 SOL 652 46.490 60.770 11.380 1.00 0.00 H +ATOM 3529 HW2 SOL 652 45.890 60.000 10.230 1.00 0.00 H +ATOM 3530 OW SOL 653 27.490 56.120 52.510 1.00 0.00 O +ATOM 3531 HW1 SOL 653 26.970 55.960 51.730 1.00 0.00 H +ATOM 3532 HW2 SOL 653 27.530 57.070 52.590 1.00 0.00 H +ATOM 3533 OW SOL 654 7.600 3.140 17.210 1.00 0.00 O +ATOM 3534 HW1 SOL 654 8.120 2.740 16.510 1.00 0.00 H +ATOM 3535 HW2 SOL 654 8.240 3.600 17.760 1.00 0.00 H +ATOM 3536 OW SOL 655 40.620 5.620 18.380 1.00 0.00 O +ATOM 3537 HW1 SOL 655 40.670 5.520 17.430 1.00 0.00 H +ATOM 3538 HW2 SOL 655 41.200 4.940 18.720 1.00 0.00 H +ATOM 3539 OW SOL 656 54.130 23.140 47.080 1.00 0.00 O +ATOM 3540 HW1 SOL 656 54.830 22.560 46.780 1.00 0.00 H +ATOM 3541 HW2 SOL 656 53.330 22.750 46.730 1.00 0.00 H +ATOM 3542 OW SOL 657 6.890 7.490 27.500 1.00 0.00 O +ATOM 3543 HW1 SOL 657 6.280 7.050 28.100 1.00 0.00 H +ATOM 3544 HW2 SOL 657 7.010 6.880 26.780 1.00 0.00 H +ATOM 3545 OW SOL 658 51.360 57.700 43.390 1.00 0.00 O +ATOM 3546 HW1 SOL 658 50.910 58.530 43.200 1.00 0.00 H +ATOM 3547 HW2 SOL 658 52.080 57.950 43.970 1.00 0.00 H +ATOM 3548 OW SOL 659 25.090 44.180 13.870 1.00 0.00 O +ATOM 3549 HW1 SOL 659 25.220 43.230 13.750 1.00 0.00 H +ATOM 3550 HW2 SOL 659 24.340 44.240 14.460 1.00 0.00 H +ATOM 3551 OW SOL 660 29.990 3.530 26.000 1.00 0.00 O +ATOM 3552 HW1 SOL 660 30.230 2.620 25.790 1.00 0.00 H +ATOM 3553 HW2 SOL 660 29.180 3.460 26.500 1.00 0.00 H +ATOM 3554 OW SOL 661 3.450 19.760 25.450 1.00 0.00 O +ATOM 3555 HW1 SOL 661 4.060 19.240 24.940 1.00 0.00 H +ATOM 3556 HW2 SOL 661 2.630 19.270 25.420 1.00 0.00 H +ATOM 3557 OW SOL 662 62.880 30.130 16.580 1.00 0.00 O +ATOM 3558 HW1 SOL 662 63.450 30.850 16.300 1.00 0.00 H +ATOM 3559 HW2 SOL 662 63.480 29.410 16.750 1.00 0.00 H +ATOM 3560 OW SOL 663 13.700 60.990 51.960 1.00 0.00 O +ATOM 3561 HW1 SOL 663 13.160 61.750 51.750 1.00 0.00 H +ATOM 3562 HW2 SOL 663 13.910 60.590 51.120 1.00 0.00 H +ATOM 3563 OW SOL 664 45.050 22.650 52.550 1.00 0.00 O +ATOM 3564 HW1 SOL 664 45.300 22.970 51.690 1.00 0.00 H +ATOM 3565 HW2 SOL 664 45.850 22.710 53.080 1.00 0.00 H +ATOM 3566 OW SOL 665 56.950 10.200 23.960 1.00 0.00 O +ATOM 3567 HW1 SOL 665 56.960 10.240 24.910 1.00 0.00 H +ATOM 3568 HW2 SOL 665 56.110 10.600 23.710 1.00 0.00 H +ATOM 3569 OW SOL 666 43.080 41.690 50.460 1.00 0.00 O +ATOM 3570 HW1 SOL 666 42.580 41.220 49.800 1.00 0.00 H +ATOM 3571 HW2 SOL 666 43.760 42.150 49.960 1.00 0.00 H +ATOM 3572 OW SOL 667 19.430 38.270 11.700 1.00 0.00 O +ATOM 3573 HW1 SOL 667 18.800 38.540 12.370 1.00 0.00 H +ATOM 3574 HW2 SOL 667 18.880 38.040 10.950 1.00 0.00 H +ATOM 3575 OW SOL 668 45.710 24.220 33.400 1.00 0.00 O +ATOM 3576 HW1 SOL 668 45.540 25.160 33.430 1.00 0.00 H +ATOM 3577 HW2 SOL 668 44.900 23.830 33.070 1.00 0.00 H +ATOM 3578 OW SOL 669 59.570 39.720 13.880 1.00 0.00 O +ATOM 3579 HW1 SOL 669 59.500 39.250 14.710 1.00 0.00 H +ATOM 3580 HW2 SOL 669 59.350 40.630 14.090 1.00 0.00 H +ATOM 3581 OW SOL 670 51.600 42.330 53.070 1.00 0.00 O +ATOM 3582 HW1 SOL 670 51.950 41.440 52.980 1.00 0.00 H +ATOM 3583 HW2 SOL 670 52.220 42.880 52.590 1.00 0.00 H +ATOM 3584 OW SOL 671 50.390 30.610 24.450 1.00 0.00 O +ATOM 3585 HW1 SOL 671 50.150 29.920 25.060 1.00 0.00 H +ATOM 3586 HW2 SOL 671 50.760 30.150 23.700 1.00 0.00 H +ATOM 3587 OW SOL 672 5.900 37.160 34.630 1.00 0.00 O +ATOM 3588 HW1 SOL 672 6.270 37.670 35.360 1.00 0.00 H +ATOM 3589 HW2 SOL 672 6.590 37.160 33.970 1.00 0.00 H +ATOM 3590 OW SOL 673 3.410 56.240 12.980 1.00 0.00 O +ATOM 3591 HW1 SOL 673 2.460 56.110 12.910 1.00 0.00 H +ATOM 3592 HW2 SOL 673 3.520 56.800 13.750 1.00 0.00 H +ATOM 3593 OW SOL 674 58.050 49.090 6.040 1.00 0.00 O +ATOM 3594 HW1 SOL 674 58.020 48.350 5.430 1.00 0.00 H +ATOM 3595 HW2 SOL 674 57.740 48.730 6.870 1.00 0.00 H +ATOM 3596 OW SOL 675 26.360 38.870 12.340 1.00 0.00 O +ATOM 3597 HW1 SOL 675 27.310 38.830 12.330 1.00 0.00 H +ATOM 3598 HW2 SOL 675 26.090 38.390 11.550 1.00 0.00 H +ATOM 3599 OW SOL 676 58.990 49.260 37.690 1.00 0.00 O +ATOM 3600 HW1 SOL 676 58.380 49.530 38.370 1.00 0.00 H +ATOM 3601 HW2 SOL 676 58.430 48.900 37.000 1.00 0.00 H +ATOM 3602 OW SOL 677 18.220 23.710 46.350 1.00 0.00 O +ATOM 3603 HW1 SOL 677 18.650 22.860 46.390 1.00 0.00 H +ATOM 3604 HW2 SOL 677 17.300 23.530 46.530 1.00 0.00 H +ATOM 3605 OW SOL 678 64.710 11.300 42.370 1.00 0.00 O +ATOM 3606 HW1 SOL 678 63.810 11.080 42.620 1.00 0.00 H +ATOM 3607 HW2 SOL 678 65.100 10.470 42.130 1.00 0.00 H +ATOM 3608 OW SOL 679 59.050 43.190 53.230 1.00 0.00 O +ATOM 3609 HW1 SOL 679 58.390 43.820 52.950 1.00 0.00 H +ATOM 3610 HW2 SOL 679 59.830 43.430 52.730 1.00 0.00 H +ATOM 3611 OW SOL 680 58.980 0.120 29.770 1.00 0.00 O +ATOM 3612 HW1 SOL 680 59.160 1.060 29.890 1.00 0.00 H +ATOM 3613 HW2 SOL 680 58.720 -0.180 30.640 1.00 0.00 H +ATOM 3614 OW SOL 681 43.570 58.860 11.810 1.00 0.00 O +ATOM 3615 HW1 SOL 681 44.420 59.280 11.690 1.00 0.00 H +ATOM 3616 HW2 SOL 681 43.000 59.280 11.170 1.00 0.00 H +ATOM 3617 OW SOL 682 11.750 13.740 32.610 1.00 0.00 O +ATOM 3618 HW1 SOL 682 11.770 13.010 31.990 1.00 0.00 H +ATOM 3619 HW2 SOL 682 11.970 13.340 33.450 1.00 0.00 H +ATOM 3620 OW SOL 683 45.490 21.560 0.630 1.00 0.00 O +ATOM 3621 HW1 SOL 683 45.760 22.100 1.370 1.00 0.00 H +ATOM 3622 HW2 SOL 683 45.850 20.690 0.840 1.00 0.00 H +ATOM 3623 OW SOL 684 39.750 39.630 44.750 1.00 0.00 O +ATOM 3624 HW1 SOL 684 39.160 39.720 45.500 1.00 0.00 H +ATOM 3625 HW2 SOL 684 40.100 40.510 44.620 1.00 0.00 H +ATOM 3626 OW SOL 685 41.680 34.330 22.680 1.00 0.00 O +ATOM 3627 HW1 SOL 685 42.360 34.510 22.030 1.00 0.00 H +ATOM 3628 HW2 SOL 685 41.470 33.400 22.560 1.00 0.00 H +ATOM 3629 OW SOL 686 50.870 7.210 30.550 1.00 0.00 O +ATOM 3630 HW1 SOL 686 50.350 7.930 30.210 1.00 0.00 H +ATOM 3631 HW2 SOL 686 51.280 7.570 31.340 1.00 0.00 H +ATOM 3632 OW SOL 687 55.360 25.450 32.720 1.00 0.00 O +ATOM 3633 HW1 SOL 687 55.300 26.390 32.550 1.00 0.00 H +ATOM 3634 HW2 SOL 687 54.630 25.070 32.220 1.00 0.00 H +ATOM 3635 OW SOL 688 43.100 1.060 21.140 1.00 0.00 O +ATOM 3636 HW1 SOL 688 42.810 1.580 21.890 1.00 0.00 H +ATOM 3637 HW2 SOL 688 44.050 1.180 21.120 1.00 0.00 H +ATOM 3638 OW SOL 689 30.100 26.480 15.750 1.00 0.00 O +ATOM 3639 HW1 SOL 689 29.480 26.540 15.030 1.00 0.00 H +ATOM 3640 HW2 SOL 689 30.210 27.380 16.050 1.00 0.00 H +ATOM 3641 OW SOL 690 52.350 43.370 40.510 1.00 0.00 O +ATOM 3642 HW1 SOL 690 52.980 43.220 41.210 1.00 0.00 H +ATOM 3643 HW2 SOL 690 51.760 42.620 40.550 1.00 0.00 H +ATOM 3644 OW SOL 691 43.820 5.480 12.120 1.00 0.00 O +ATOM 3645 HW1 SOL 691 43.810 5.750 11.200 1.00 0.00 H +ATOM 3646 HW2 SOL 691 44.620 4.970 12.220 1.00 0.00 H +ATOM 3647 OW SOL 692 24.650 10.300 25.870 1.00 0.00 O +ATOM 3648 HW1 SOL 692 24.110 10.930 25.410 1.00 0.00 H +ATOM 3649 HW2 SOL 692 24.050 9.870 26.480 1.00 0.00 H +ATOM 3650 OW SOL 693 60.640 30.270 30.100 1.00 0.00 O +ATOM 3651 HW1 SOL 693 59.830 29.920 30.480 1.00 0.00 H +ATOM 3652 HW2 SOL 693 61.200 30.440 30.850 1.00 0.00 H +ATOM 3653 OW SOL 694 7.990 11.850 32.970 1.00 0.00 O +ATOM 3654 HW1 SOL 694 8.030 12.640 33.510 1.00 0.00 H +ATOM 3655 HW2 SOL 694 8.350 11.160 33.530 1.00 0.00 H +ATOM 3656 OW SOL 695 31.470 26.010 50.580 1.00 0.00 O +ATOM 3657 HW1 SOL 695 31.590 25.580 51.430 1.00 0.00 H +ATOM 3658 HW2 SOL 695 32.130 26.710 50.570 1.00 0.00 H +ATOM 3659 OW SOL 696 30.580 8.240 34.190 1.00 0.00 O +ATOM 3660 HW1 SOL 696 30.690 7.320 33.920 1.00 0.00 H +ATOM 3661 HW2 SOL 696 30.200 8.670 33.420 1.00 0.00 H +ATOM 3662 OW SOL 697 46.570 36.940 21.790 1.00 0.00 O +ATOM 3663 HW1 SOL 697 46.320 37.140 22.690 1.00 0.00 H +ATOM 3664 HW2 SOL 697 46.760 37.790 21.400 1.00 0.00 H +ATOM 3665 OW SOL 698 35.160 22.070 48.430 1.00 0.00 O +ATOM 3666 HW1 SOL 698 34.400 22.380 48.930 1.00 0.00 H +ATOM 3667 HW2 SOL 698 35.130 21.110 48.520 1.00 0.00 H +ATOM 3668 OW SOL 699 4.110 0.610 52.860 1.00 0.00 O +ATOM 3669 HW1 SOL 699 4.740 0.030 52.430 1.00 0.00 H +ATOM 3670 HW2 SOL 699 3.430 0.020 53.200 1.00 0.00 H +ATOM 3671 OW SOL 700 24.010 27.130 44.340 1.00 0.00 O +ATOM 3672 HW1 SOL 700 23.160 27.020 43.910 1.00 0.00 H +ATOM 3673 HW2 SOL 700 24.650 27.040 43.640 1.00 0.00 H +ATOM 3674 OW SOL 701 22.240 14.390 49.310 1.00 0.00 O +ATOM 3675 HW1 SOL 701 21.920 14.400 50.210 1.00 0.00 H +ATOM 3676 HW2 SOL 701 23.070 13.910 49.360 1.00 0.00 H +ATOM 3677 OW SOL 702 17.880 26.160 41.190 1.00 0.00 O +ATOM 3678 HW1 SOL 702 17.390 26.450 40.420 1.00 0.00 H +ATOM 3679 HW2 SOL 702 18.130 25.260 40.990 1.00 0.00 H +ATOM 3680 OW SOL 703 50.120 2.890 41.910 1.00 0.00 O +ATOM 3681 HW1 SOL 703 49.450 2.400 42.380 1.00 0.00 H +ATOM 3682 HW2 SOL 703 50.040 3.790 42.250 1.00 0.00 H +ATOM 3683 OW SOL 704 20.270 53.910 4.820 1.00 0.00 O +ATOM 3684 HW1 SOL 704 20.140 53.280 4.120 1.00 0.00 H +ATOM 3685 HW2 SOL 704 21.030 54.430 4.530 1.00 0.00 H +ATOM 3686 OW SOL 705 22.080 6.460 4.950 1.00 0.00 O +ATOM 3687 HW1 SOL 705 21.540 6.540 4.170 1.00 0.00 H +ATOM 3688 HW2 SOL 705 22.760 7.120 4.840 1.00 0.00 H +ATOM 3689 OW SOL 706 43.250 46.130 51.920 1.00 0.00 O +ATOM 3690 HW1 SOL 706 44.190 46.260 51.750 1.00 0.00 H +ATOM 3691 HW2 SOL 706 43.050 46.740 52.630 1.00 0.00 H +ATOM 3692 OW SOL 707 12.780 60.660 2.830 1.00 0.00 O +ATOM 3693 HW1 SOL 707 12.720 61.610 2.880 1.00 0.00 H +ATOM 3694 HW2 SOL 707 13.620 60.490 2.390 1.00 0.00 H +ATOM 3695 OW SOL 708 24.550 35.570 19.190 1.00 0.00 O +ATOM 3696 HW1 SOL 708 25.360 35.130 19.450 1.00 0.00 H +ATOM 3697 HW2 SOL 708 24.280 36.060 19.960 1.00 0.00 H +ATOM 3698 OW SOL 709 42.670 10.600 27.020 1.00 0.00 O +ATOM 3699 HW1 SOL 709 42.980 10.670 27.930 1.00 0.00 H +ATOM 3700 HW2 SOL 709 42.330 9.710 26.960 1.00 0.00 H +ATOM 3701 OW SOL 710 33.970 43.440 44.600 1.00 0.00 O +ATOM 3702 HW1 SOL 710 33.040 43.230 44.520 1.00 0.00 H +ATOM 3703 HW2 SOL 710 34.330 42.720 45.120 1.00 0.00 H +ATOM 3704 OW SOL 711 20.020 6.680 34.930 1.00 0.00 O +ATOM 3705 HW1 SOL 711 19.340 6.720 34.270 1.00 0.00 H +ATOM 3706 HW2 SOL 711 20.700 6.130 34.540 1.00 0.00 H +ATOM 3707 OW SOL 712 14.240 46.440 27.490 1.00 0.00 O +ATOM 3708 HW1 SOL 712 13.990 47.350 27.680 1.00 0.00 H +ATOM 3709 HW2 SOL 712 14.040 45.960 28.290 1.00 0.00 H +ATOM 3710 OW SOL 713 15.430 54.030 7.870 1.00 0.00 O +ATOM 3711 HW1 SOL 713 15.240 53.320 7.260 1.00 0.00 H +ATOM 3712 HW2 SOL 713 14.570 54.410 8.060 1.00 0.00 H +ATOM 3713 OW SOL 714 3.090 32.430 19.670 1.00 0.00 O +ATOM 3714 HW1 SOL 714 2.570 33.200 19.450 1.00 0.00 H +ATOM 3715 HW2 SOL 714 3.920 32.770 19.980 1.00 0.00 H +ATOM 3716 OW SOL 715 8.700 36.440 37.980 1.00 0.00 O +ATOM 3717 HW1 SOL 715 9.540 36.130 37.660 1.00 0.00 H +ATOM 3718 HW2 SOL 715 8.880 36.790 38.850 1.00 0.00 H +ATOM 3719 OW SOL 716 6.210 14.000 25.590 1.00 0.00 O +ATOM 3720 HW1 SOL 716 6.170 13.260 26.200 1.00 0.00 H +ATOM 3721 HW2 SOL 716 5.820 14.730 26.080 1.00 0.00 H +ATOM 3722 OW SOL 717 6.200 10.840 21.840 1.00 0.00 O +ATOM 3723 HW1 SOL 717 6.060 11.270 22.690 1.00 0.00 H +ATOM 3724 HW2 SOL 717 5.550 11.250 21.270 1.00 0.00 H +ATOM 3725 OW SOL 718 25.760 26.580 42.500 1.00 0.00 O +ATOM 3726 HW1 SOL 718 26.650 26.740 42.210 1.00 0.00 H +ATOM 3727 HW2 SOL 718 25.280 26.350 41.700 1.00 0.00 H +ATOM 3728 OW SOL 719 38.220 54.450 20.020 1.00 0.00 O +ATOM 3729 HW1 SOL 719 39.110 54.170 20.250 1.00 0.00 H +ATOM 3730 HW2 SOL 719 37.800 53.650 19.690 1.00 0.00 H +ATOM 3731 OW SOL 720 64.470 46.700 24.500 1.00 0.00 O +ATOM 3732 HW1 SOL 720 64.450 46.610 23.550 1.00 0.00 H +ATOM 3733 HW2 SOL 720 63.580 46.970 24.730 1.00 0.00 H +ATOM 3734 OW SOL 721 9.640 39.400 23.080 1.00 0.00 O +ATOM 3735 HW1 SOL 721 9.910 40.290 22.860 1.00 0.00 H +ATOM 3736 HW2 SOL 721 9.580 38.950 22.230 1.00 0.00 H +ATOM 3737 OW SOL 722 23.370 28.410 6.130 1.00 0.00 O +ATOM 3738 HW1 SOL 722 23.680 28.180 5.250 1.00 0.00 H +ATOM 3739 HW2 SOL 722 23.990 29.070 6.430 1.00 0.00 H +ATOM 3740 OW SOL 723 3.290 3.040 8.710 1.00 0.00 O +ATOM 3741 HW1 SOL 723 3.680 3.460 9.470 1.00 0.00 H +ATOM 3742 HW2 SOL 723 2.890 3.770 8.220 1.00 0.00 H +ATOM 3743 OW SOL 724 0.400 47.350 33.380 1.00 0.00 O +ATOM 3744 HW1 SOL 724 0.190 48.190 33.780 1.00 0.00 H +ATOM 3745 HW2 SOL 724 1.350 47.380 33.240 1.00 0.00 H +ATOM 3746 OW SOL 725 65.515 32.680 0.320 1.00 0.00 O +ATOM 3747 HW1 SOL 725 66.305 33.100 -0.010 1.00 0.00 H +ATOM 3748 HW2 SOL 725 65.605 31.760 0.040 1.00 0.00 H +ATOM 3749 OW SOL 726 0.910 46.750 40.500 1.00 0.00 O +ATOM 3750 HW1 SOL 726 0.870 45.970 39.950 1.00 0.00 H +ATOM 3751 HW2 SOL 726 0.040 46.800 40.900 1.00 0.00 H +ATOM 3752 OW SOL 727 63.710 27.480 17.970 1.00 0.00 O +ATOM 3753 HW1 SOL 727 62.810 27.460 17.650 1.00 0.00 H +ATOM 3754 HW2 SOL 727 63.640 27.860 18.850 1.00 0.00 H +ATOM 3755 OW SOL 728 27.590 51.130 51.160 1.00 0.00 O +ATOM 3756 HW1 SOL 728 27.400 51.650 50.370 1.00 0.00 H +ATOM 3757 HW2 SOL 728 27.310 51.700 51.880 1.00 0.00 H +ATOM 3758 OW SOL 729 20.150 13.080 33.760 1.00 0.00 O +ATOM 3759 HW1 SOL 729 19.970 13.930 34.160 1.00 0.00 H +ATOM 3760 HW2 SOL 729 19.550 12.480 34.190 1.00 0.00 H +ATOM 3761 OW SOL 730 34.770 37.230 40.410 1.00 0.00 O +ATOM 3762 HW1 SOL 730 34.060 36.920 40.970 1.00 0.00 H +ATOM 3763 HW2 SOL 730 35.440 37.540 41.020 1.00 0.00 H +ATOM 3764 OW SOL 731 6.410 52.480 25.180 1.00 0.00 O +ATOM 3765 HW1 SOL 731 6.510 53.330 25.610 1.00 0.00 H +ATOM 3766 HW2 SOL 731 7.290 52.270 24.860 1.00 0.00 H +ATOM 3767 OW SOL 732 46.440 2.050 3.940 1.00 0.00 O +ATOM 3768 HW1 SOL 732 46.660 1.270 3.430 1.00 0.00 H +ATOM 3769 HW2 SOL 732 46.500 2.770 3.310 1.00 0.00 H +ATOM 3770 OW SOL 733 56.970 44.990 39.840 1.00 0.00 O +ATOM 3771 HW1 SOL 733 56.160 45.250 40.270 1.00 0.00 H +ATOM 3772 HW2 SOL 733 57.270 45.780 39.380 1.00 0.00 H +ATOM 3773 OW SOL 734 52.980 44.040 6.520 1.00 0.00 O +ATOM 3774 HW1 SOL 734 52.690 44.760 5.960 1.00 0.00 H +ATOM 3775 HW2 SOL 734 52.500 44.160 7.340 1.00 0.00 H +ATOM 3776 OW SOL 735 34.860 5.920 43.190 1.00 0.00 O +ATOM 3777 HW1 SOL 735 33.990 5.510 43.180 1.00 0.00 H +ATOM 3778 HW2 SOL 735 34.740 6.740 43.660 1.00 0.00 H +ATOM 3779 OW SOL 736 61.050 46.770 18.740 1.00 0.00 O +ATOM 3780 HW1 SOL 736 60.100 46.780 18.800 1.00 0.00 H +ATOM 3781 HW2 SOL 736 61.340 46.410 19.580 1.00 0.00 H +ATOM 3782 OW SOL 737 52.760 45.100 1.560 1.00 0.00 O +ATOM 3783 HW1 SOL 737 53.500 45.700 1.550 1.00 0.00 H +ATOM 3784 HW2 SOL 737 53.130 44.240 1.390 1.00 0.00 H +ATOM 3785 OW SOL 738 10.160 42.620 25.920 1.00 0.00 O +ATOM 3786 HW1 SOL 738 10.100 41.720 26.230 1.00 0.00 H +ATOM 3787 HW2 SOL 738 10.140 42.550 24.970 1.00 0.00 H +ATOM 3788 OW SOL 739 7.510 41.650 32.170 1.00 0.00 O +ATOM 3789 HW1 SOL 739 7.620 40.840 31.660 1.00 0.00 H +ATOM 3790 HW2 SOL 739 6.590 41.870 32.080 1.00 0.00 H +ATOM 3791 OW SOL 740 3.170 17.570 23.030 1.00 0.00 O +ATOM 3792 HW1 SOL 740 3.210 17.430 22.090 1.00 0.00 H +ATOM 3793 HW2 SOL 740 2.270 17.840 23.200 1.00 0.00 H +ATOM 3794 OW SOL 741 49.620 1.230 10.790 1.00 0.00 O +ATOM 3795 HW1 SOL 741 48.990 1.550 10.140 1.00 0.00 H +ATOM 3796 HW2 SOL 741 49.690 0.290 10.610 1.00 0.00 H +ATOM 3797 OW SOL 742 2.630 21.830 12.410 1.00 0.00 O +ATOM 3798 HW1 SOL 742 2.980 21.400 13.190 1.00 0.00 H +ATOM 3799 HW2 SOL 742 1.910 21.260 12.130 1.00 0.00 H +ATOM 3800 OW SOL 743 17.060 1.640 19.540 1.00 0.00 O +ATOM 3801 HW1 SOL 743 17.610 0.880 19.710 1.00 0.00 H +ATOM 3802 HW2 SOL 743 17.350 2.290 20.180 1.00 0.00 H +ATOM 3803 OW SOL 744 62.430 1.450 11.700 1.00 0.00 O +ATOM 3804 HW1 SOL 744 62.930 1.700 10.920 1.00 0.00 H +ATOM 3805 HW2 SOL 744 63.090 1.300 12.370 1.00 0.00 H +ATOM 3806 OW SOL 745 60.960 12.240 26.270 1.00 0.00 O +ATOM 3807 HW1 SOL 745 61.280 13.140 26.260 1.00 0.00 H +ATOM 3808 HW2 SOL 745 60.070 12.300 25.920 1.00 0.00 H +ATOM 3809 OW SOL 746 9.090 41.580 47.020 1.00 0.00 O +ATOM 3810 HW1 SOL 746 8.140 41.630 46.990 1.00 0.00 H +ATOM 3811 HW2 SOL 746 9.380 42.460 46.770 1.00 0.00 H +ATOM 3812 OW SOL 747 11.900 57.090 41.890 1.00 0.00 O +ATOM 3813 HW1 SOL 747 11.110 56.550 41.770 1.00 0.00 H +ATOM 3814 HW2 SOL 747 12.630 56.470 41.790 1.00 0.00 H +ATOM 3815 OW SOL 748 30.300 14.510 44.470 1.00 0.00 O +ATOM 3816 HW1 SOL 748 31.250 14.430 44.550 1.00 0.00 H +ATOM 3817 HW2 SOL 748 30.040 15.060 45.210 1.00 0.00 H +ATOM 3818 OW SOL 749 57.240 41.560 8.770 1.00 0.00 O +ATOM 3819 HW1 SOL 749 56.420 41.610 8.290 1.00 0.00 H +ATOM 3820 HW2 SOL 749 57.920 41.670 8.100 1.00 0.00 H +ATOM 3821 OW SOL 750 27.210 17.670 30.880 1.00 0.00 O +ATOM 3822 HW1 SOL 750 28.160 17.730 31.030 1.00 0.00 H +ATOM 3823 HW2 SOL 750 26.990 18.480 30.420 1.00 0.00 H +ATOM 3824 OW SOL 751 2.580 9.100 26.730 1.00 0.00 O +ATOM 3825 HW1 SOL 751 2.130 8.260 26.840 1.00 0.00 H +ATOM 3826 HW2 SOL 751 1.970 9.630 26.210 1.00 0.00 H +ATOM 3827 OW SOL 752 56.020 20.590 32.670 1.00 0.00 O +ATOM 3828 HW1 SOL 752 55.830 20.430 31.750 1.00 0.00 H +ATOM 3829 HW2 SOL 752 56.790 21.160 32.660 1.00 0.00 H +ATOM 3830 OW SOL 753 61.480 43.200 6.810 1.00 0.00 O +ATOM 3831 HW1 SOL 753 62.160 43.280 6.140 1.00 0.00 H +ATOM 3832 HW2 SOL 753 61.220 44.100 7.000 1.00 0.00 H +ATOM 3833 OW SOL 754 0.090 26.190 42.030 1.00 0.00 O +ATOM 3834 HW1 SOL 754 0.340 25.510 42.650 1.00 0.00 H +ATOM 3835 HW2 SOL 754 0.570 26.970 42.310 1.00 0.00 H +ATOM 3836 OW SOL 755 24.530 43.070 3.250 1.00 0.00 O +ATOM 3837 HW1 SOL 755 25.420 43.430 3.270 1.00 0.00 H +ATOM 3838 HW2 SOL 755 24.030 43.710 2.730 1.00 0.00 H +ATOM 3839 OW SOL 756 10.560 13.070 4.980 1.00 0.00 O +ATOM 3840 HW1 SOL 756 10.020 12.750 4.260 1.00 0.00 H +ATOM 3841 HW2 SOL 756 11.080 12.310 5.240 1.00 0.00 H +ATOM 3842 OW SOL 757 62.490 61.760 37.900 1.00 0.00 O +ATOM 3843 HW1 SOL 757 62.500 61.920 36.960 1.00 0.00 H +ATOM 3844 HW2 SOL 757 61.600 61.480 38.090 1.00 0.00 H +ATOM 3845 OW SOL 758 7.490 43.330 8.170 1.00 0.00 O +ATOM 3846 HW1 SOL 758 7.510 43.720 9.050 1.00 0.00 H +ATOM 3847 HW2 SOL 758 7.370 44.070 7.580 1.00 0.00 H +ATOM 3848 OW SOL 759 60.560 52.870 9.790 1.00 0.00 O +ATOM 3849 HW1 SOL 759 60.330 53.610 9.230 1.00 0.00 H +ATOM 3850 HW2 SOL 759 61.380 52.540 9.430 1.00 0.00 H +ATOM 3851 OW SOL 760 5.300 39.790 26.590 1.00 0.00 O +ATOM 3852 HW1 SOL 760 6.190 39.750 26.260 1.00 0.00 H +ATOM 3853 HW2 SOL 760 4.850 40.390 25.990 1.00 0.00 H +ATOM 3854 OW SOL 761 11.370 57.360 32.600 1.00 0.00 O +ATOM 3855 HW1 SOL 761 11.790 57.660 31.800 1.00 0.00 H +ATOM 3856 HW2 SOL 761 10.440 57.300 32.380 1.00 0.00 H +ATOM 3857 OW SOL 762 60.140 27.200 33.290 1.00 0.00 O +ATOM 3858 HW1 SOL 762 59.950 27.500 32.410 1.00 0.00 H +ATOM 3859 HW2 SOL 762 59.420 27.540 33.830 1.00 0.00 H +ATOM 3860 OW SOL 763 15.030 43.130 9.760 1.00 0.00 O +ATOM 3861 HW1 SOL 763 15.010 44.060 9.990 1.00 0.00 H +ATOM 3862 HW2 SOL 763 15.290 42.680 10.560 1.00 0.00 H +ATOM 3863 OW SOL 764 1.910 42.470 2.110 1.00 0.00 O +ATOM 3864 HW1 SOL 764 1.630 41.660 2.540 1.00 0.00 H +ATOM 3865 HW2 SOL 764 1.630 43.170 2.710 1.00 0.00 H +ATOM 3866 OW SOL 765 54.900 40.470 36.200 1.00 0.00 O +ATOM 3867 HW1 SOL 765 55.440 40.870 36.890 1.00 0.00 H +ATOM 3868 HW2 SOL 765 55.390 39.700 35.920 1.00 0.00 H +ATOM 3869 OW SOL 766 14.800 55.440 49.710 1.00 0.00 O +ATOM 3870 HW1 SOL 766 15.210 55.120 50.520 1.00 0.00 H +ATOM 3871 HW2 SOL 766 13.860 55.460 49.920 1.00 0.00 H +ATOM 3872 OW SOL 767 20.010 50.660 42.070 1.00 0.00 O +ATOM 3873 HW1 SOL 767 19.600 49.840 42.370 1.00 0.00 H +ATOM 3874 HW2 SOL 767 20.580 50.920 42.800 1.00 0.00 H +ATOM 3875 OW SOL 768 51.450 49.830 16.920 1.00 0.00 O +ATOM 3876 HW1 SOL 768 52.230 50.380 16.950 1.00 0.00 H +ATOM 3877 HW2 SOL 768 51.230 49.780 15.990 1.00 0.00 H +ATOM 3878 OW SOL 769 6.900 34.710 43.690 1.00 0.00 O +ATOM 3879 HW1 SOL 769 6.930 34.960 44.620 1.00 0.00 H +ATOM 3880 HW2 SOL 769 6.040 34.310 43.580 1.00 0.00 H +ATOM 3881 OW SOL 770 22.050 34.770 41.400 1.00 0.00 O +ATOM 3882 HW1 SOL 770 22.190 33.850 41.170 1.00 0.00 H +ATOM 3883 HW2 SOL 770 21.370 34.740 42.080 1.00 0.00 H +ATOM 3884 OW SOL 771 29.160 5.480 53.400 1.00 0.00 O +ATOM 3885 HW1 SOL 771 29.560 5.100 52.620 1.00 0.00 H +ATOM 3886 HW2 SOL 771 29.900 5.730 53.950 1.00 0.00 H +ATOM 3887 OW SOL 772 25.950 0.710 33.820 1.00 0.00 O +ATOM 3888 HW1 SOL 772 26.710 0.980 33.320 1.00 0.00 H +ATOM 3889 HW2 SOL 772 25.310 0.450 33.160 1.00 0.00 H +ATOM 3890 OW SOL 773 64.710 8.170 21.990 1.00 0.00 O +ATOM 3891 HW1 SOL 773 65.140 8.710 22.660 1.00 0.00 H +ATOM 3892 HW2 SOL 773 65.270 8.250 21.220 1.00 0.00 H +ATOM 3893 OW SOL 774 46.290 1.940 27.550 1.00 0.00 O +ATOM 3894 HW1 SOL 774 45.690 2.300 26.890 1.00 0.00 H +ATOM 3895 HW2 SOL 774 45.980 1.040 27.680 1.00 0.00 H +ATOM 3896 OW SOL 775 24.000 50.870 49.830 1.00 0.00 O +ATOM 3897 HW1 SOL 775 23.540 50.410 50.530 1.00 0.00 H +ATOM 3898 HW2 SOL 775 24.700 50.270 49.560 1.00 0.00 H +ATOM 3899 OW SOL 776 19.800 1.830 30.860 1.00 0.00 O +ATOM 3900 HW1 SOL 776 19.040 1.980 31.420 1.00 0.00 H +ATOM 3901 HW2 SOL 776 19.440 1.460 30.050 1.00 0.00 H +ATOM 3902 OW SOL 777 45.390 31.750 46.320 1.00 0.00 O +ATOM 3903 HW1 SOL 777 45.100 31.310 45.520 1.00 0.00 H +ATOM 3904 HW2 SOL 777 46.110 32.310 46.040 1.00 0.00 H +ATOM 3905 OW SOL 778 4.520 7.910 4.400 1.00 0.00 O +ATOM 3906 HW1 SOL 778 3.760 8.470 4.580 1.00 0.00 H +ATOM 3907 HW2 SOL 778 5.110 8.470 3.900 1.00 0.00 H +ATOM 3908 OW SOL 779 1.880 31.210 49.870 1.00 0.00 O +ATOM 3909 HW1 SOL 779 1.620 30.480 49.310 1.00 0.00 H +ATOM 3910 HW2 SOL 779 1.170 31.300 50.510 1.00 0.00 H +ATOM 3911 OW SOL 780 0.890 24.030 39.450 1.00 0.00 O +ATOM 3912 HW1 SOL 780 1.340 23.630 38.710 1.00 0.00 H +ATOM 3913 HW2 SOL 780 0.200 24.560 39.060 1.00 0.00 H +ATOM 3914 OW SOL 781 11.800 52.980 41.180 1.00 0.00 O +ATOM 3915 HW1 SOL 781 12.390 52.370 41.620 1.00 0.00 H +ATOM 3916 HW2 SOL 781 12.320 53.360 40.480 1.00 0.00 H +ATOM 3917 OW SOL 782 18.870 9.440 46.780 1.00 0.00 O +ATOM 3918 HW1 SOL 782 18.380 9.650 45.980 1.00 0.00 H +ATOM 3919 HW2 SOL 782 19.620 10.030 46.770 1.00 0.00 H +ATOM 3920 OW SOL 783 15.660 42.670 14.480 1.00 0.00 O +ATOM 3921 HW1 SOL 783 16.190 42.780 13.700 1.00 0.00 H +ATOM 3922 HW2 SOL 783 15.110 41.910 14.300 1.00 0.00 H +ATOM 3923 OW SOL 784 16.800 6.600 33.960 1.00 0.00 O +ATOM 3924 HW1 SOL 784 16.880 7.550 34.050 1.00 0.00 H +ATOM 3925 HW2 SOL 784 16.710 6.450 33.020 1.00 0.00 H +ATOM 3926 OW SOL 785 62.610 35.420 40.980 1.00 0.00 O +ATOM 3927 HW1 SOL 785 61.660 35.460 40.860 1.00 0.00 H +ATOM 3928 HW2 SOL 785 62.800 36.130 41.600 1.00 0.00 H +ATOM 3929 OW SOL 786 34.120 9.670 25.030 1.00 0.00 O +ATOM 3930 HW1 SOL 786 34.040 9.400 25.950 1.00 0.00 H +ATOM 3931 HW2 SOL 786 33.590 10.470 24.970 1.00 0.00 H +ATOM 3932 OW SOL 787 3.900 59.520 9.670 1.00 0.00 O +ATOM 3933 HW1 SOL 787 4.820 59.790 9.680 1.00 0.00 H +ATOM 3934 HW2 SOL 787 3.430 60.280 10.000 1.00 0.00 H +ATOM 3935 OW SOL 788 39.960 9.940 1.790 1.00 0.00 O +ATOM 3936 HW1 SOL 788 39.840 9.630 0.890 1.00 0.00 H +ATOM 3937 HW2 SOL 788 39.290 10.610 1.910 1.00 0.00 H +ATOM 3938 OW SOL 789 42.380 13.210 51.970 1.00 0.00 O +ATOM 3939 HW1 SOL 789 42.790 13.370 51.120 1.00 0.00 H +ATOM 3940 HW2 SOL 789 42.750 13.890 52.540 1.00 0.00 H +ATOM 3941 OW SOL 790 1.550 60.260 18.200 1.00 0.00 O +ATOM 3942 HW1 SOL 790 1.790 59.670 18.920 1.00 0.00 H +ATOM 3943 HW2 SOL 790 0.700 59.940 17.900 1.00 0.00 H +ATOM 3944 OW SOL 791 7.540 37.690 32.200 1.00 0.00 O +ATOM 3945 HW1 SOL 791 7.920 38.450 31.760 1.00 0.00 H +ATOM 3946 HW2 SOL 791 6.820 37.420 31.630 1.00 0.00 H +ATOM 3947 OW SOL 792 41.770 18.060 37.070 1.00 0.00 O +ATOM 3948 HW1 SOL 792 42.100 17.590 36.310 1.00 0.00 H +ATOM 3949 HW2 SOL 792 41.780 18.980 36.810 1.00 0.00 H +ATOM 3950 OW SOL 793 23.020 59.210 37.060 1.00 0.00 O +ATOM 3951 HW1 SOL 793 22.960 58.820 36.190 1.00 0.00 H +ATOM 3952 HW2 SOL 793 23.870 59.640 37.070 1.00 0.00 H +ATOM 3953 OW SOL 794 29.890 19.110 16.230 1.00 0.00 O +ATOM 3954 HW1 SOL 794 30.630 18.500 16.120 1.00 0.00 H +ATOM 3955 HW2 SOL 794 30.190 19.730 16.890 1.00 0.00 H +ATOM 3956 OW SOL 795 29.580 58.650 39.320 1.00 0.00 O +ATOM 3957 HW1 SOL 795 29.280 59.440 39.770 1.00 0.00 H +ATOM 3958 HW2 SOL 795 29.160 57.930 39.790 1.00 0.00 H +ATOM 3959 OW SOL 796 42.500 28.360 46.270 1.00 0.00 O +ATOM 3960 HW1 SOL 796 41.910 29.050 45.970 1.00 0.00 H +ATOM 3961 HW2 SOL 796 41.940 27.590 46.350 1.00 0.00 H +ATOM 3962 OW SOL 797 6.010 7.190 0.560 1.00 0.00 O +ATOM 3963 HW1 SOL 797 5.610 6.450 0.100 1.00 0.00 H +ATOM 3964 HW2 SOL 797 6.940 6.970 0.610 1.00 0.00 H +ATOM 3965 OW SOL 798 27.500 30.860 49.080 1.00 0.00 O +ATOM 3966 HW1 SOL 798 26.620 30.650 49.410 1.00 0.00 H +ATOM 3967 HW2 SOL 798 27.690 31.720 49.460 1.00 0.00 H +ATOM 3968 OW SOL 799 5.650 50.130 20.470 1.00 0.00 O +ATOM 3969 HW1 SOL 799 5.480 49.280 20.080 1.00 0.00 H +ATOM 3970 HW2 SOL 799 4.990 50.210 21.160 1.00 0.00 H +ATOM 3971 OW SOL 800 13.950 5.440 11.370 1.00 0.00 O +ATOM 3972 HW1 SOL 800 13.820 6.390 11.390 1.00 0.00 H +ATOM 3973 HW2 SOL 800 14.630 5.270 12.020 1.00 0.00 H +ATOM 3974 OW SOL 801 39.230 34.030 47.240 1.00 0.00 O +ATOM 3975 HW1 SOL 801 39.520 33.320 47.810 1.00 0.00 H +ATOM 3976 HW2 SOL 801 39.940 34.130 46.600 1.00 0.00 H +ATOM 3977 OW SOL 802 14.370 55.500 27.160 1.00 0.00 O +ATOM 3978 HW1 SOL 802 14.150 55.760 28.060 1.00 0.00 H +ATOM 3979 HW2 SOL 802 13.800 54.750 26.990 1.00 0.00 H +ATOM 3980 OW SOL 803 57.530 33.620 39.000 1.00 0.00 O +ATOM 3981 HW1 SOL 803 57.120 33.210 39.760 1.00 0.00 H +ATOM 3982 HW2 SOL 803 56.980 34.390 38.820 1.00 0.00 H +ATOM 3983 OW SOL 804 55.960 3.760 35.760 1.00 0.00 O +ATOM 3984 HW1 SOL 804 56.690 4.250 35.380 1.00 0.00 H +ATOM 3985 HW2 SOL 804 56.330 3.340 36.540 1.00 0.00 H +ATOM 3986 OW SOL 805 57.760 8.070 27.440 1.00 0.00 O +ATOM 3987 HW1 SOL 805 57.650 7.650 26.590 1.00 0.00 H +ATOM 3988 HW2 SOL 805 57.430 7.430 28.070 1.00 0.00 H +ATOM 3989 OW SOL 806 58.660 21.040 47.880 1.00 0.00 O +ATOM 3990 HW1 SOL 806 59.110 21.130 48.730 1.00 0.00 H +ATOM 3991 HW2 SOL 806 58.490 20.100 47.800 1.00 0.00 H +ATOM 3992 OW SOL 807 40.500 6.990 3.360 1.00 0.00 O +ATOM 3993 HW1 SOL 807 40.580 6.210 3.910 1.00 0.00 H +ATOM 3994 HW2 SOL 807 40.620 7.720 3.960 1.00 0.00 H +ATOM 3995 OW SOL 808 8.050 17.730 34.880 1.00 0.00 O +ATOM 3996 HW1 SOL 808 7.900 17.220 34.090 1.00 0.00 H +ATOM 3997 HW2 SOL 808 8.020 18.640 34.590 1.00 0.00 H +ATOM 3998 OW SOL 809 17.460 23.420 42.840 1.00 0.00 O +ATOM 3999 HW1 SOL 809 17.860 24.280 42.950 1.00 0.00 H +ATOM 4000 HW2 SOL 809 17.910 23.040 42.090 1.00 0.00 H +ATOM 4001 OW SOL 810 7.210 3.790 34.470 1.00 0.00 O +ATOM 4002 HW1 SOL 810 7.440 2.890 34.700 1.00 0.00 H +ATOM 4003 HW2 SOL 810 7.670 4.330 35.110 1.00 0.00 H +ATOM 4004 OW SOL 811 38.150 42.860 48.860 1.00 0.00 O +ATOM 4005 HW1 SOL 811 38.150 42.850 47.900 1.00 0.00 H +ATOM 4006 HW2 SOL 811 37.260 43.110 49.090 1.00 0.00 H +ATOM 4007 OW SOL 812 11.120 47.040 42.220 1.00 0.00 O +ATOM 4008 HW1 SOL 812 11.570 47.090 43.070 1.00 0.00 H +ATOM 4009 HW2 SOL 812 11.470 46.250 41.810 1.00 0.00 H +ATOM 4010 OW SOL 813 23.490 37.370 17.400 1.00 0.00 O +ATOM 4011 HW1 SOL 813 23.720 37.290 16.480 1.00 0.00 H +ATOM 4012 HW2 SOL 813 24.090 36.770 17.850 1.00 0.00 H +ATOM 4013 OW SOL 814 54.570 9.490 46.580 1.00 0.00 O +ATOM 4014 HW1 SOL 814 54.160 8.860 45.990 1.00 0.00 H +ATOM 4015 HW2 SOL 814 55.320 9.010 46.950 1.00 0.00 H +ATOM 4016 OW SOL 815 59.410 45.200 15.860 1.00 0.00 O +ATOM 4017 HW1 SOL 815 60.100 45.860 15.780 1.00 0.00 H +ATOM 4018 HW2 SOL 815 58.660 45.670 16.200 1.00 0.00 H +ATOM 4019 OW SOL 816 40.870 60.100 37.400 1.00 0.00 O +ATOM 4020 HW1 SOL 816 41.710 59.630 37.330 1.00 0.00 H +ATOM 4021 HW2 SOL 816 40.230 59.410 37.540 1.00 0.00 H +ATOM 4022 OW SOL 817 8.650 22.460 10.960 1.00 0.00 O +ATOM 4023 HW1 SOL 817 8.700 23.390 11.180 1.00 0.00 H +ATOM 4024 HW2 SOL 817 8.000 22.420 10.260 1.00 0.00 H +ATOM 4025 OW SOL 818 22.940 46.670 4.080 1.00 0.00 O +ATOM 4026 HW1 SOL 818 22.740 47.580 3.870 1.00 0.00 H +ATOM 4027 HW2 SOL 818 22.090 46.250 4.190 1.00 0.00 H +ATOM 4028 OW SOL 819 24.860 49.640 5.110 1.00 0.00 O +ATOM 4029 HW1 SOL 819 25.660 49.980 5.500 1.00 0.00 H +ATOM 4030 HW2 SOL 819 24.580 48.940 5.700 1.00 0.00 H +ATOM 4031 OW SOL 820 24.420 5.460 3.590 1.00 0.00 O +ATOM 4032 HW1 SOL 820 24.500 6.410 3.460 1.00 0.00 H +ATOM 4033 HW2 SOL 820 24.580 5.090 2.720 1.00 0.00 H +ATOM 4034 OW SOL 821 59.660 24.850 34.930 1.00 0.00 O +ATOM 4035 HW1 SOL 821 60.580 24.720 35.150 1.00 0.00 H +ATOM 4036 HW2 SOL 821 59.670 25.050 33.990 1.00 0.00 H +ATOM 4037 OW SOL 822 13.900 26.250 30.270 1.00 0.00 O +ATOM 4038 HW1 SOL 822 13.530 26.990 29.790 1.00 0.00 H +ATOM 4039 HW2 SOL 822 14.850 26.400 30.250 1.00 0.00 H +ATOM 4040 OW SOL 823 36.630 7.220 40.820 1.00 0.00 O +ATOM 4041 HW1 SOL 823 36.420 6.330 40.560 1.00 0.00 H +ATOM 4042 HW2 SOL 823 36.090 7.380 41.600 1.00 0.00 H +ATOM 4043 OW SOL 824 17.810 56.370 35.580 1.00 0.00 O +ATOM 4044 HW1 SOL 824 18.340 56.990 36.090 1.00 0.00 H +ATOM 4045 HW2 SOL 824 18.150 56.450 34.690 1.00 0.00 H +ATOM 4046 OW SOL 825 36.440 39.130 50.540 1.00 0.00 O +ATOM 4047 HW1 SOL 825 35.580 39.510 50.690 1.00 0.00 H +ATOM 4048 HW2 SOL 825 36.390 38.740 49.670 1.00 0.00 H +ATOM 4049 OW SOL 826 50.980 20.350 11.130 1.00 0.00 O +ATOM 4050 HW1 SOL 826 51.070 20.160 12.060 1.00 0.00 H +ATOM 4051 HW2 SOL 826 50.040 20.350 10.970 1.00 0.00 H +ATOM 4052 OW SOL 827 58.350 12.270 29.460 1.00 0.00 O +ATOM 4053 HW1 SOL 827 58.340 12.990 30.090 1.00 0.00 H +ATOM 4054 HW2 SOL 827 58.210 12.690 28.610 1.00 0.00 H +ATOM 4055 OW SOL 828 46.740 51.470 17.790 1.00 0.00 O +ATOM 4056 HW1 SOL 828 46.960 51.720 16.890 1.00 0.00 H +ATOM 4057 HW2 SOL 828 47.470 50.930 18.080 1.00 0.00 H +ATOM 4058 OW SOL 829 0.540 60.200 30.980 1.00 0.00 O +ATOM 4059 HW1 SOL 829 1.470 60.070 31.150 1.00 0.00 H +ATOM 4060 HW2 SOL 829 0.500 60.460 30.060 1.00 0.00 H +ATOM 4061 OW SOL 830 58.320 3.200 46.970 1.00 0.00 O +ATOM 4062 HW1 SOL 830 58.860 3.900 47.330 1.00 0.00 H +ATOM 4063 HW2 SOL 830 58.950 2.570 46.610 1.00 0.00 H +ATOM 4064 OW SOL 831 37.480 14.160 40.520 1.00 0.00 O +ATOM 4065 HW1 SOL 831 36.800 14.160 41.190 1.00 0.00 H +ATOM 4066 HW2 SOL 831 37.730 15.080 40.430 1.00 0.00 H +ATOM 4067 OW SOL 832 65.460 6.470 5.970 1.00 0.00 O +ATOM 4068 HW1 SOL 832 64.620 6.010 5.930 1.00 0.00 H +ATOM 4069 HW2 SOL 832 65.230 7.380 6.160 1.00 0.00 H +ATOM 4070 OW SOL 833 4.630 16.730 47.770 1.00 0.00 O +ATOM 4071 HW1 SOL 833 5.170 17.410 48.180 1.00 0.00 H +ATOM 4072 HW2 SOL 833 3.730 17.010 47.940 1.00 0.00 H +ATOM 4073 OW SOL 834 3.830 30.350 52.870 1.00 0.00 O +ATOM 4074 HW1 SOL 834 4.780 30.340 52.980 1.00 0.00 H +ATOM 4075 HW2 SOL 834 3.630 29.500 52.470 1.00 0.00 H +ATOM 4076 OW SOL 835 4.030 59.930 17.150 1.00 0.00 O +ATOM 4077 HW1 SOL 835 4.270 60.740 17.600 1.00 0.00 H +ATOM 4078 HW2 SOL 835 3.140 59.740 17.460 1.00 0.00 H +ATOM 4079 OW SOL 836 15.730 46.050 38.940 1.00 0.00 O +ATOM 4080 HW1 SOL 836 16.480 45.460 38.840 1.00 0.00 H +ATOM 4081 HW2 SOL 836 16.120 46.910 39.090 1.00 0.00 H +ATOM 4082 OW SOL 837 31.650 21.150 21.400 1.00 0.00 O +ATOM 4083 HW1 SOL 837 32.590 20.950 21.460 1.00 0.00 H +ATOM 4084 HW2 SOL 837 31.280 20.810 22.220 1.00 0.00 H +ATOM 4085 OW SOL 838 47.870 16.820 26.430 1.00 0.00 O +ATOM 4086 HW1 SOL 838 48.090 16.120 25.820 1.00 0.00 H +ATOM 4087 HW2 SOL 838 46.930 16.720 26.580 1.00 0.00 H +ATOM 4088 OW SOL 839 3.870 28.510 37.930 1.00 0.00 O +ATOM 4089 HW1 SOL 839 3.770 29.160 37.240 1.00 0.00 H +ATOM 4090 HW2 SOL 839 4.740 28.130 37.770 1.00 0.00 H +ATOM 4091 OW SOL 840 26.330 15.660 38.010 1.00 0.00 O +ATOM 4092 HW1 SOL 840 26.620 15.680 37.110 1.00 0.00 H +ATOM 4093 HW2 SOL 840 25.370 15.640 37.950 1.00 0.00 H +ATOM 4094 OW SOL 841 54.190 54.370 52.860 1.00 0.00 O +ATOM 4095 HW1 SOL 841 53.350 54.220 53.280 1.00 0.00 H +ATOM 4096 HW2 SOL 841 54.190 55.300 52.640 1.00 0.00 H +ATOM 4097 OW SOL 842 50.640 43.490 29.610 1.00 0.00 O +ATOM 4098 HW1 SOL 842 51.320 43.200 30.220 1.00 0.00 H +ATOM 4099 HW2 SOL 842 49.930 43.800 30.170 1.00 0.00 H +ATOM 4100 OW SOL 843 55.710 14.440 17.830 1.00 0.00 O +ATOM 4101 HW1 SOL 843 55.200 14.520 17.010 1.00 0.00 H +ATOM 4102 HW2 SOL 843 55.160 13.890 18.390 1.00 0.00 H +ATOM 4103 OW SOL 844 11.290 37.000 46.850 1.00 0.00 O +ATOM 4104 HW1 SOL 844 10.840 37.820 46.650 1.00 0.00 H +ATOM 4105 HW2 SOL 844 11.690 37.140 47.710 1.00 0.00 H +ATOM 4106 OW SOL 845 40.510 28.240 0.600 1.00 0.00 O +ATOM 4107 HW1 SOL 845 39.960 28.000 1.340 1.00 0.00 H +ATOM 4108 HW2 SOL 845 40.230 29.130 0.370 1.00 0.00 H +ATOM 4109 OW SOL 846 62.450 6.710 33.630 1.00 0.00 O +ATOM 4110 HW1 SOL 846 62.630 7.380 32.970 1.00 0.00 H +ATOM 4111 HW2 SOL 846 63.270 6.640 34.120 1.00 0.00 H +ATOM 4112 OW SOL 847 21.030 57.050 39.690 1.00 0.00 O +ATOM 4113 HW1 SOL 847 20.170 56.680 39.480 1.00 0.00 H +ATOM 4114 HW2 SOL 847 21.600 56.750 38.990 1.00 0.00 H +ATOM 4115 OW SOL 848 22.700 12.820 16.970 1.00 0.00 O +ATOM 4116 HW1 SOL 848 23.360 12.350 16.460 1.00 0.00 H +ATOM 4117 HW2 SOL 848 22.690 13.700 16.600 1.00 0.00 H +ATOM 4118 OW SOL 849 40.380 52.470 14.790 1.00 0.00 O +ATOM 4119 HW1 SOL 849 40.610 52.980 14.010 1.00 0.00 H +ATOM 4120 HW2 SOL 849 41.230 52.200 15.150 1.00 0.00 H +ATOM 4121 OW SOL 850 49.500 40.900 2.710 1.00 0.00 O +ATOM 4122 HW1 SOL 850 49.470 41.470 1.940 1.00 0.00 H +ATOM 4123 HW2 SOL 850 49.340 40.020 2.360 1.00 0.00 H +ATOM 4124 OW SOL 851 55.350 53.070 31.750 1.00 0.00 O +ATOM 4125 HW1 SOL 851 54.940 53.200 32.600 1.00 0.00 H +ATOM 4126 HW2 SOL 851 54.800 52.410 31.320 1.00 0.00 H +ATOM 4127 OW SOL 852 64.870 22.450 33.070 1.00 0.00 O +ATOM 4128 HW1 SOL 852 64.460 22.440 33.940 1.00 0.00 H +ATOM 4129 HW2 SOL 852 65.760 22.130 33.210 1.00 0.00 H +ATOM 4130 OW SOL 853 56.140 42.250 40.840 1.00 0.00 O +ATOM 4131 HW1 SOL 853 57.010 42.040 41.170 1.00 0.00 H +ATOM 4132 HW2 SOL 853 56.230 43.110 40.430 1.00 0.00 H +ATOM 4133 OW SOL 854 48.440 21.180 18.260 1.00 0.00 O +ATOM 4134 HW1 SOL 854 48.040 20.590 18.890 1.00 0.00 H +ATOM 4135 HW2 SOL 854 49.260 21.460 18.670 1.00 0.00 H +ATOM 4136 OW SOL 855 40.550 38.260 42.400 1.00 0.00 O +ATOM 4137 HW1 SOL 855 40.410 38.790 43.190 1.00 0.00 H +ATOM 4138 HW2 SOL 855 40.820 38.890 41.740 1.00 0.00 H +ATOM 4139 OW SOL 856 12.250 28.610 32.120 1.00 0.00 O +ATOM 4140 HW1 SOL 856 11.860 29.460 31.940 1.00 0.00 H +ATOM 4141 HW2 SOL 856 13.150 28.810 32.390 1.00 0.00 H +ATOM 4142 OW SOL 857 55.800 34.770 20.920 1.00 0.00 O +ATOM 4143 HW1 SOL 857 56.300 34.700 20.100 1.00 0.00 H +ATOM 4144 HW2 SOL 857 55.760 35.700 21.110 1.00 0.00 H +ATOM 4145 OW SOL 858 13.240 51.870 52.120 1.00 0.00 O +ATOM 4146 HW1 SOL 858 12.390 51.560 51.800 1.00 0.00 H +ATOM 4147 HW2 SOL 858 13.250 51.630 53.050 1.00 0.00 H +ATOM 4148 OW SOL 859 44.610 56.720 26.640 1.00 0.00 O +ATOM 4149 HW1 SOL 859 45.100 57.070 27.390 1.00 0.00 H +ATOM 4150 HW2 SOL 859 45.230 56.770 25.910 1.00 0.00 H +ATOM 4151 OW SOL 860 61.130 54.560 36.250 1.00 0.00 O +ATOM 4152 HW1 SOL 860 60.370 54.000 36.090 1.00 0.00 H +ATOM 4153 HW2 SOL 860 61.880 53.970 36.160 1.00 0.00 H +ATOM 4154 OW SOL 861 41.250 22.830 7.270 1.00 0.00 O +ATOM 4155 HW1 SOL 861 41.890 23.400 6.840 1.00 0.00 H +ATOM 4156 HW2 SOL 861 41.000 23.310 8.060 1.00 0.00 H +ATOM 4157 OW SOL 862 25.490 46.420 4.480 1.00 0.00 O +ATOM 4158 HW1 SOL 862 24.590 46.660 4.250 1.00 0.00 H +ATOM 4159 HW2 SOL 862 25.940 46.390 3.640 1.00 0.00 H +ATOM 4160 OW SOL 863 59.970 32.050 23.600 1.00 0.00 O +ATOM 4161 HW1 SOL 863 60.010 33.000 23.450 1.00 0.00 H +ATOM 4162 HW2 SOL 863 59.040 31.850 23.610 1.00 0.00 H +ATOM 4163 OW SOL 864 5.220 15.690 45.000 1.00 0.00 O +ATOM 4164 HW1 SOL 864 5.430 16.190 45.790 1.00 0.00 H +ATOM 4165 HW2 SOL 864 5.510 16.250 44.270 1.00 0.00 H +ATOM 4166 OW SOL 865 14.230 2.780 53.210 1.00 0.00 O +ATOM 4167 HW1 SOL 865 13.420 2.550 52.770 1.00 0.00 H +ATOM 4168 HW2 SOL 865 14.080 3.670 53.530 1.00 0.00 H +ATOM 4169 OW SOL 866 16.520 1.090 23.370 1.00 0.00 O +ATOM 4170 HW1 SOL 866 15.600 0.970 23.140 1.00 0.00 H +ATOM 4171 HW2 SOL 866 16.680 2.020 23.270 1.00 0.00 H +ATOM 4172 OW SOL 867 4.700 48.110 47.490 1.00 0.00 O +ATOM 4173 HW1 SOL 867 5.510 48.580 47.660 1.00 0.00 H +ATOM 4174 HW2 SOL 867 4.000 48.730 47.700 1.00 0.00 H +ATOM 4175 OW SOL 868 57.640 47.050 0.700 1.00 0.00 O +ATOM 4176 HW1 SOL 868 56.860 46.650 0.310 1.00 0.00 H +ATOM 4177 HW2 SOL 868 57.770 46.570 1.520 1.00 0.00 H +ATOM 4178 OW SOL 869 51.230 34.400 13.990 1.00 0.00 O +ATOM 4179 HW1 SOL 869 50.770 34.540 14.820 1.00 0.00 H +ATOM 4180 HW2 SOL 869 50.790 33.650 13.600 1.00 0.00 H +ATOM 4181 OW SOL 870 6.280 43.970 25.260 1.00 0.00 O +ATOM 4182 HW1 SOL 870 5.510 44.350 25.670 1.00 0.00 H +ATOM 4183 HW2 SOL 870 6.800 44.730 24.980 1.00 0.00 H +ATOM 4184 OW SOL 871 65.360 53.400 16.770 1.00 0.00 O +ATOM 4185 HW1 SOL 871 64.620 53.970 16.540 1.00 0.00 H +ATOM 4186 HW2 SOL 871 65.730 53.780 17.560 1.00 0.00 H +ATOM 4187 OW SOL 872 59.890 35.760 17.850 1.00 0.00 O +ATOM 4188 HW1 SOL 872 60.570 36.190 17.340 1.00 0.00 H +ATOM 4189 HW2 SOL 872 60.150 34.840 17.870 1.00 0.00 H +ATOM 4190 OW SOL 873 1.910 21.540 33.180 1.00 0.00 O +ATOM 4191 HW1 SOL 873 2.770 21.590 33.590 1.00 0.00 H +ATOM 4192 HW2 SOL 873 2.070 21.170 32.310 1.00 0.00 H +ATOM 4193 OW SOL 874 55.490 6.280 41.610 1.00 0.00 O +ATOM 4194 HW1 SOL 874 54.670 6.290 41.120 1.00 0.00 H +ATOM 4195 HW2 SOL 874 56.080 6.840 41.100 1.00 0.00 H +ATOM 4196 OW SOL 875 38.060 6.240 37.150 1.00 0.00 O +ATOM 4197 HW1 SOL 875 38.000 5.910 36.260 1.00 0.00 H +ATOM 4198 HW2 SOL 875 37.220 6.680 37.290 1.00 0.00 H +ATOM 4199 OW SOL 876 25.260 4.320 21.600 1.00 0.00 O +ATOM 4200 HW1 SOL 876 24.360 3.990 21.540 1.00 0.00 H +ATOM 4201 HW2 SOL 876 25.700 3.950 20.830 1.00 0.00 H +ATOM 4202 OW SOL 877 35.730 56.140 2.560 1.00 0.00 O +ATOM 4203 HW1 SOL 877 35.820 55.410 3.180 1.00 0.00 H +ATOM 4204 HW2 SOL 877 36.560 56.620 2.650 1.00 0.00 H +ATOM 4205 OW SOL 878 12.280 47.430 38.900 1.00 0.00 O +ATOM 4206 HW1 SOL 878 11.410 47.220 38.550 1.00 0.00 H +ATOM 4207 HW2 SOL 878 12.890 47.130 38.220 1.00 0.00 H +ATOM 4208 OW SOL 879 64.280 18.650 3.400 1.00 0.00 O +ATOM 4209 HW1 SOL 879 65.090 18.430 3.870 1.00 0.00 H +ATOM 4210 HW2 SOL 879 64.400 19.570 3.150 1.00 0.00 H +ATOM 4211 OW SOL 880 59.450 5.320 16.540 1.00 0.00 O +ATOM 4212 HW1 SOL 880 60.040 5.470 17.280 1.00 0.00 H +ATOM 4213 HW2 SOL 880 59.930 4.710 15.970 1.00 0.00 H +ATOM 4214 OW SOL 881 53.430 10.570 27.250 1.00 0.00 O +ATOM 4215 HW1 SOL 881 53.760 10.430 28.140 1.00 0.00 H +ATOM 4216 HW2 SOL 881 53.230 9.690 26.930 1.00 0.00 H +ATOM 4217 OW SOL 882 16.110 45.150 47.160 1.00 0.00 O +ATOM 4218 HW1 SOL 882 17.050 45.260 46.990 1.00 0.00 H +ATOM 4219 HW2 SOL 882 15.850 45.960 47.590 1.00 0.00 H +ATOM 4220 OW SOL 883 27.120 37.630 8.470 1.00 0.00 O +ATOM 4221 HW1 SOL 883 27.330 36.860 7.930 1.00 0.00 H +ATOM 4222 HW2 SOL 883 26.270 37.920 8.150 1.00 0.00 H +ATOM 4223 OW SOL 884 56.620 0.420 48.810 1.00 0.00 O +ATOM 4224 HW1 SOL 884 55.780 -0.040 48.730 1.00 0.00 H +ATOM 4225 HW2 SOL 884 57.170 0.040 48.120 1.00 0.00 H +ATOM 4226 OW SOL 885 6.930 10.590 5.160 1.00 0.00 O +ATOM 4227 HW1 SOL 885 7.280 10.350 4.300 1.00 0.00 H +ATOM 4228 HW2 SOL 885 6.490 11.430 5.010 1.00 0.00 H +ATOM 4229 OW SOL 886 37.520 52.960 12.760 1.00 0.00 O +ATOM 4230 HW1 SOL 886 37.340 52.020 12.660 1.00 0.00 H +ATOM 4231 HW2 SOL 886 38.070 53.170 12.000 1.00 0.00 H +ATOM 4232 OW SOL 887 18.280 30.010 27.510 1.00 0.00 O +ATOM 4233 HW1 SOL 887 17.980 29.250 27.010 1.00 0.00 H +ATOM 4234 HW2 SOL 887 19.140 29.740 27.850 1.00 0.00 H +ATOM 4235 OW SOL 888 3.670 46.540 10.680 1.00 0.00 O +ATOM 4236 HW1 SOL 888 2.920 46.280 11.220 1.00 0.00 H +ATOM 4237 HW2 SOL 888 4.130 45.720 10.510 1.00 0.00 H +ATOM 4238 OW SOL 889 27.870 7.650 40.380 1.00 0.00 O +ATOM 4239 HW1 SOL 889 28.450 8.410 40.360 1.00 0.00 H +ATOM 4240 HW2 SOL 889 28.030 7.240 41.230 1.00 0.00 H +ATOM 4241 OW SOL 890 60.080 0.250 11.580 1.00 0.00 O +ATOM 4242 HW1 SOL 890 60.070 -0.520 11.010 1.00 0.00 H +ATOM 4243 HW2 SOL 890 60.980 0.580 11.520 1.00 0.00 H +ATOM 4244 OW SOL 891 42.700 47.590 36.850 1.00 0.00 O +ATOM 4245 HW1 SOL 891 41.840 47.190 36.740 1.00 0.00 H +ATOM 4246 HW2 SOL 891 43.160 47.030 37.470 1.00 0.00 H +ATOM 4247 OW SOL 892 50.470 14.730 2.310 1.00 0.00 O +ATOM 4248 HW1 SOL 892 50.620 15.440 1.670 1.00 0.00 H +ATOM 4249 HW2 SOL 892 51.070 14.920 3.020 1.00 0.00 H +ATOM 4250 OW SOL 893 15.280 43.660 51.740 1.00 0.00 O +ATOM 4251 HW1 SOL 893 15.760 44.480 51.820 1.00 0.00 H +ATOM 4252 HW2 SOL 893 15.290 43.460 50.800 1.00 0.00 H +ATOM 4253 OW SOL 894 23.220 32.250 40.660 1.00 0.00 O +ATOM 4254 HW1 SOL 894 23.880 32.660 40.100 1.00 0.00 H +ATOM 4255 HW2 SOL 894 23.000 31.430 40.220 1.00 0.00 H +ATOM 4256 OW SOL 895 63.000 56.180 12.840 1.00 0.00 O +ATOM 4257 HW1 SOL 895 62.120 56.510 12.640 1.00 0.00 H +ATOM 4258 HW2 SOL 895 63.540 56.460 12.100 1.00 0.00 H +ATOM 4259 OW SOL 896 5.400 21.560 25.740 1.00 0.00 O +ATOM 4260 HW1 SOL 896 5.440 22.100 24.950 1.00 0.00 H +ATOM 4261 HW2 SOL 896 4.620 21.020 25.610 1.00 0.00 H +ATOM 4262 OW SOL 897 14.880 10.750 1.690 1.00 0.00 O +ATOM 4263 HW1 SOL 897 14.540 11.260 2.430 1.00 0.00 H +ATOM 4264 HW2 SOL 897 14.940 11.380 0.970 1.00 0.00 H +ATOM 4265 OW SOL 898 4.560 31.060 14.100 1.00 0.00 O +ATOM 4266 HW1 SOL 898 4.380 31.300 15.010 1.00 0.00 H +ATOM 4267 HW2 SOL 898 4.800 30.140 14.130 1.00 0.00 H +ATOM 4268 OW SOL 899 20.000 21.210 37.020 1.00 0.00 O +ATOM 4269 HW1 SOL 899 19.270 21.350 36.430 1.00 0.00 H +ATOM 4270 HW2 SOL 899 20.510 20.500 36.620 1.00 0.00 H +ATOM 4271 OW SOL 900 5.800 50.620 45.550 1.00 0.00 O +ATOM 4272 HW1 SOL 900 6.570 50.260 45.970 1.00 0.00 H +ATOM 4273 HW2 SOL 900 6.130 51.300 44.970 1.00 0.00 H +ATOM 4274 OW SOL 901 59.070 26.900 37.800 1.00 0.00 O +ATOM 4275 HW1 SOL 901 59.270 26.000 38.090 1.00 0.00 H +ATOM 4276 HW2 SOL 901 59.930 27.310 37.710 1.00 0.00 H +ATOM 4277 OW SOL 902 28.000 23.520 1.090 1.00 0.00 O +ATOM 4278 HW1 SOL 902 28.330 22.910 1.750 1.00 0.00 H +ATOM 4279 HW2 SOL 902 28.110 23.050 0.260 1.00 0.00 H +ATOM 4280 OW SOL 903 63.310 43.540 4.660 1.00 0.00 O +ATOM 4281 HW1 SOL 903 63.710 42.720 4.360 1.00 0.00 H +ATOM 4282 HW2 SOL 903 63.810 43.780 5.440 1.00 0.00 H +ATOM 4283 OW SOL 904 13.080 51.640 34.200 1.00 0.00 O +ATOM 4284 HW1 SOL 904 12.840 52.540 34.000 1.00 0.00 H +ATOM 4285 HW2 SOL 904 13.350 51.660 35.120 1.00 0.00 H +ATOM 4286 OW SOL 905 5.650 45.810 14.860 1.00 0.00 O +ATOM 4287 HW1 SOL 905 6.110 46.500 14.390 1.00 0.00 H +ATOM 4288 HW2 SOL 905 4.840 45.680 14.360 1.00 0.00 H +ATOM 4289 OW SOL 906 53.220 43.350 31.400 1.00 0.00 O +ATOM 4290 HW1 SOL 906 53.420 42.420 31.450 1.00 0.00 H +ATOM 4291 HW2 SOL 906 54.010 43.750 31.040 1.00 0.00 H +ATOM 4292 OW SOL 907 44.170 52.700 0.110 1.00 0.00 O +ATOM 4293 HW1 SOL 907 45.070 52.840 -0.190 1.00 0.00 H +ATOM 4294 HW2 SOL 907 44.140 53.110 0.970 1.00 0.00 H +ATOM 4295 OW SOL 908 25.060 9.040 16.960 1.00 0.00 O +ATOM 4296 HW1 SOL 908 25.010 9.940 16.650 1.00 0.00 H +ATOM 4297 HW2 SOL 908 24.690 8.520 16.250 1.00 0.00 H +ATOM 4298 OW SOL 909 24.420 42.410 16.500 1.00 0.00 O +ATOM 4299 HW1 SOL 909 24.510 42.930 17.300 1.00 0.00 H +ATOM 4300 HW2 SOL 909 23.790 42.900 15.970 1.00 0.00 H +ATOM 4301 OW SOL 910 46.910 26.770 24.870 1.00 0.00 O +ATOM 4302 HW1 SOL 910 47.780 26.460 24.600 1.00 0.00 H +ATOM 4303 HW2 SOL 910 46.860 27.670 24.560 1.00 0.00 H +ATOM 4304 OW SOL 911 48.700 22.180 38.970 1.00 0.00 O +ATOM 4305 HW1 SOL 911 49.310 22.760 38.500 1.00 0.00 H +ATOM 4306 HW2 SOL 911 49.140 21.330 38.990 1.00 0.00 H +ATOM 4307 OW SOL 912 38.240 33.610 11.070 1.00 0.00 O +ATOM 4308 HW1 SOL 912 38.380 32.750 11.470 1.00 0.00 H +ATOM 4309 HW2 SOL 912 37.500 33.470 10.470 1.00 0.00 H +ATOM 4310 OW SOL 913 40.040 55.130 6.380 1.00 0.00 O +ATOM 4311 HW1 SOL 913 40.330 54.240 6.190 1.00 0.00 H +ATOM 4312 HW2 SOL 913 40.470 55.670 5.720 1.00 0.00 H +ATOM 4313 OW SOL 914 45.620 27.570 13.740 1.00 0.00 O +ATOM 4314 HW1 SOL 914 46.330 27.090 14.180 1.00 0.00 H +ATOM 4315 HW2 SOL 914 44.840 27.370 14.250 1.00 0.00 H +ATOM 4316 OW SOL 915 2.880 7.690 11.140 1.00 0.00 O +ATOM 4317 HW1 SOL 915 3.290 6.840 11.320 1.00 0.00 H +ATOM 4318 HW2 SOL 915 3.620 8.280 11.000 1.00 0.00 H +ATOM 4319 OW SOL 916 23.250 32.880 19.520 1.00 0.00 O +ATOM 4320 HW1 SOL 916 23.170 33.810 19.350 1.00 0.00 H +ATOM 4321 HW2 SOL 916 23.210 32.470 18.650 1.00 0.00 H +ATOM 4322 OW SOL 917 13.110 8.420 38.190 1.00 0.00 O +ATOM 4323 HW1 SOL 917 13.810 7.780 38.320 1.00 0.00 H +ATOM 4324 HW2 SOL 917 12.870 8.700 39.080 1.00 0.00 H +ATOM 4325 OW SOL 918 58.000 47.660 15.820 1.00 0.00 O +ATOM 4326 HW1 SOL 918 57.620 48.110 16.570 1.00 0.00 H +ATOM 4327 HW2 SOL 918 57.300 47.630 15.170 1.00 0.00 H +ATOM 4328 OW SOL 919 9.650 33.020 21.050 1.00 0.00 O +ATOM 4329 HW1 SOL 919 10.520 33.420 20.990 1.00 0.00 H +ATOM 4330 HW2 SOL 919 9.700 32.260 20.460 1.00 0.00 H +ATOM 4331 OW SOL 920 1.980 25.880 14.700 1.00 0.00 O +ATOM 4332 HW1 SOL 920 1.200 25.580 15.160 1.00 0.00 H +ATOM 4333 HW2 SOL 920 1.850 25.610 13.790 1.00 0.00 H +ATOM 4334 OW SOL 921 16.340 26.200 34.780 1.00 0.00 O +ATOM 4335 HW1 SOL 921 17.150 26.060 34.280 1.00 0.00 H +ATOM 4336 HW2 SOL 921 16.420 25.610 35.530 1.00 0.00 H +ATOM 4337 OW SOL 922 3.090 60.800 28.520 1.00 0.00 O +ATOM 4338 HW1 SOL 922 2.160 60.880 28.270 1.00 0.00 H +ATOM 4339 HW2 SOL 922 3.120 61.140 29.410 1.00 0.00 H +ATOM 4340 OW SOL 923 49.680 46.850 40.200 1.00 0.00 O +ATOM 4341 HW1 SOL 923 48.780 46.850 40.530 1.00 0.00 H +ATOM 4342 HW2 SOL 923 49.600 46.490 39.320 1.00 0.00 H +ATOM 4343 OW SOL 924 50.520 7.830 1.610 1.00 0.00 O +ATOM 4344 HW1 SOL 924 50.560 8.640 2.110 1.00 0.00 H +ATOM 4345 HW2 SOL 924 49.600 7.590 1.610 1.00 0.00 H +ATOM 4346 OW SOL 925 2.790 30.450 41.060 1.00 0.00 O +ATOM 4347 HW1 SOL 925 2.940 31.340 41.360 1.00 0.00 H +ATOM 4348 HW2 SOL 925 2.990 30.470 40.120 1.00 0.00 H +ATOM 4349 OW SOL 926 38.050 27.980 51.340 1.00 0.00 O +ATOM 4350 HW1 SOL 926 37.510 27.480 51.950 1.00 0.00 H +ATOM 4351 HW2 SOL 926 38.570 28.550 51.890 1.00 0.00 H +ATOM 4352 OW SOL 927 11.700 15.480 26.320 1.00 0.00 O +ATOM 4353 HW1 SOL 927 12.250 14.880 25.810 1.00 0.00 H +ATOM 4354 HW2 SOL 927 11.010 15.750 25.710 1.00 0.00 H +ATOM 4355 OW SOL 928 42.140 19.530 44.850 1.00 0.00 O +ATOM 4356 HW1 SOL 928 42.410 20.270 44.300 1.00 0.00 H +ATOM 4357 HW2 SOL 928 42.310 18.760 44.300 1.00 0.00 H +ATOM 4358 OW SOL 929 40.650 24.370 9.280 1.00 0.00 O +ATOM 4359 HW1 SOL 929 41.080 25.190 9.500 1.00 0.00 H +ATOM 4360 HW2 SOL 929 40.490 23.940 10.120 1.00 0.00 H +ATOM 4361 OW SOL 930 63.530 52.250 53.390 1.00 0.00 O +ATOM 4362 HW1 SOL 930 63.710 52.730 52.580 1.00 0.00 H +ATOM 4363 HW2 SOL 930 63.650 51.330 53.150 1.00 0.00 H +ATOM 4364 OW SOL 931 4.850 3.820 1.800 1.00 0.00 O +ATOM 4365 HW1 SOL 931 4.860 4.140 0.900 1.00 0.00 H +ATOM 4366 HW2 SOL 931 4.520 4.560 2.310 1.00 0.00 H +ATOM 4367 OW SOL 932 59.240 27.490 44.000 1.00 0.00 O +ATOM 4368 HW1 SOL 932 59.260 28.450 43.920 1.00 0.00 H +ATOM 4369 HW2 SOL 932 59.300 27.340 44.950 1.00 0.00 H +ATOM 4370 OW SOL 933 25.570 13.140 10.410 1.00 0.00 O +ATOM 4371 HW1 SOL 933 25.490 13.890 11.000 1.00 0.00 H +ATOM 4372 HW2 SOL 933 25.180 13.440 9.590 1.00 0.00 H +ATOM 4373 OW SOL 934 51.540 51.700 3.940 1.00 0.00 O +ATOM 4374 HW1 SOL 934 51.870 52.290 3.260 1.00 0.00 H +ATOM 4375 HW2 SOL 934 50.840 51.210 3.510 1.00 0.00 H +ATOM 4376 OW SOL 935 38.490 53.820 -0.020 1.00 0.00 O +ATOM 4377 HW1 SOL 935 38.780 54.260 0.790 1.00 0.00 H +ATOM 4378 HW2 SOL 935 38.820 52.930 0.070 1.00 0.00 H +ATOM 4379 OW SOL 936 41.040 3.620 34.630 1.00 0.00 O +ATOM 4380 HW1 SOL 936 41.480 2.840 34.980 1.00 0.00 H +ATOM 4381 HW2 SOL 936 40.140 3.340 34.470 1.00 0.00 H +ATOM 4382 OW SOL 937 10.970 24.210 19.620 1.00 0.00 O +ATOM 4383 HW1 SOL 937 10.990 23.410 20.140 1.00 0.00 H +ATOM 4384 HW2 SOL 937 10.040 24.430 19.540 1.00 0.00 H +ATOM 4385 OW SOL 938 52.240 60.890 2.680 1.00 0.00 O +ATOM 4386 HW1 SOL 938 52.840 60.660 1.970 1.00 0.00 H +ATOM 4387 HW2 SOL 938 51.400 61.010 2.250 1.00 0.00 H +ATOM 4388 OW SOL 939 35.020 59.670 52.340 1.00 0.00 O +ATOM 4389 HW1 SOL 939 34.710 60.530 52.630 1.00 0.00 H +ATOM 4390 HW2 SOL 939 35.530 59.850 51.550 1.00 0.00 H +ATOM 4391 OW SOL 940 57.220 16.170 19.620 1.00 0.00 O +ATOM 4392 HW1 SOL 940 56.810 16.050 18.770 1.00 0.00 H +ATOM 4393 HW2 SOL 940 57.620 15.320 19.800 1.00 0.00 H +ATOM 4394 OW SOL 941 62.180 7.970 46.550 1.00 0.00 O +ATOM 4395 HW1 SOL 941 63.110 8.090 46.740 1.00 0.00 H +ATOM 4396 HW2 SOL 941 61.740 8.270 47.350 1.00 0.00 H +ATOM 4397 OW SOL 942 3.370 53.020 41.760 1.00 0.00 O +ATOM 4398 HW1 SOL 942 3.500 53.660 42.460 1.00 0.00 H +ATOM 4399 HW2 SOL 942 3.890 52.260 42.030 1.00 0.00 H +ATOM 4400 OW SOL 943 24.250 7.950 32.790 1.00 0.00 O +ATOM 4401 HW1 SOL 943 23.880 7.900 33.670 1.00 0.00 H +ATOM 4402 HW2 SOL 943 24.420 7.050 32.540 1.00 0.00 H +ATOM 4403 OW SOL 944 54.740 15.290 47.060 1.00 0.00 O +ATOM 4404 HW1 SOL 944 53.960 14.740 47.020 1.00 0.00 H +ATOM 4405 HW2 SOL 944 54.690 15.700 47.930 1.00 0.00 H +ATOM 4406 OW SOL 945 10.930 18.380 42.440 1.00 0.00 O +ATOM 4407 HW1 SOL 945 11.100 17.460 42.260 1.00 0.00 H +ATOM 4408 HW2 SOL 945 11.330 18.850 41.710 1.00 0.00 H +ATOM 4409 OW SOL 946 49.340 10.490 45.620 1.00 0.00 O +ATOM 4410 HW1 SOL 946 49.510 10.690 44.690 1.00 0.00 H +ATOM 4411 HW2 SOL 946 48.400 10.640 45.720 1.00 0.00 H +ATOM 4412 OW SOL 947 9.000 18.470 37.650 1.00 0.00 O +ATOM 4413 HW1 SOL 947 8.870 17.950 36.860 1.00 0.00 H +ATOM 4414 HW2 SOL 947 8.110 18.680 37.940 1.00 0.00 H +ATOM 4415 OW SOL 948 62.550 38.370 1.490 1.00 0.00 O +ATOM 4416 HW1 SOL 948 63.410 38.190 1.110 1.00 0.00 H +ATOM 4417 HW2 SOL 948 62.000 38.610 0.750 1.00 0.00 H +ATOM 4418 OW SOL 949 54.060 32.170 13.890 1.00 0.00 O +ATOM 4419 HW1 SOL 949 54.650 32.620 13.290 1.00 0.00 H +ATOM 4420 HW2 SOL 949 53.300 32.750 13.950 1.00 0.00 H +ATOM 4421 OW SOL 950 17.300 48.160 39.760 1.00 0.00 O +ATOM 4422 HW1 SOL 950 18.110 47.690 39.550 1.00 0.00 H +ATOM 4423 HW2 SOL 950 17.380 48.360 40.700 1.00 0.00 H +ATOM 4424 OW SOL 951 38.280 9.470 8.770 1.00 0.00 O +ATOM 4425 HW1 SOL 951 37.360 9.660 8.930 1.00 0.00 H +ATOM 4426 HW2 SOL 951 38.750 9.950 9.450 1.00 0.00 H +ATOM 4427 OW SOL 952 18.090 34.030 10.620 1.00 0.00 O +ATOM 4428 HW1 SOL 952 18.880 34.400 10.210 1.00 0.00 H +ATOM 4429 HW2 SOL 952 18.350 33.860 11.520 1.00 0.00 H +ATOM 4430 OW SOL 953 8.720 41.500 11.750 1.00 0.00 O +ATOM 4431 HW1 SOL 953 9.290 42.120 11.300 1.00 0.00 H +ATOM 4432 HW2 SOL 953 7.840 41.790 11.540 1.00 0.00 H +ATOM 4433 OW SOL 954 42.300 60.280 6.040 1.00 0.00 O +ATOM 4434 HW1 SOL 954 42.710 60.810 6.730 1.00 0.00 H +ATOM 4435 HW2 SOL 954 41.450 60.690 5.890 1.00 0.00 H +ATOM 4436 OW SOL 955 23.470 17.950 8.550 1.00 0.00 O +ATOM 4437 HW1 SOL 955 22.710 17.640 9.040 1.00 0.00 H +ATOM 4438 HW2 SOL 955 23.100 18.280 7.730 1.00 0.00 H +ATOM 4439 OW SOL 956 48.920 20.430 49.270 1.00 0.00 O +ATOM 4440 HW1 SOL 956 49.130 20.230 48.360 1.00 0.00 H +ATOM 4441 HW2 SOL 956 49.630 20.990 49.570 1.00 0.00 H +ATOM 4442 OW SOL 957 56.980 60.520 30.800 1.00 0.00 O +ATOM 4443 HW1 SOL 957 56.760 59.600 30.630 1.00 0.00 H +ATOM 4444 HW2 SOL 957 57.940 60.520 30.860 1.00 0.00 H +ATOM 4445 OW SOL 958 58.770 55.930 31.710 1.00 0.00 O +ATOM 4446 HW1 SOL 958 59.680 56.120 31.490 1.00 0.00 H +ATOM 4447 HW2 SOL 958 58.550 55.160 31.180 1.00 0.00 H +ATOM 4448 OW SOL 959 62.000 20.930 26.890 1.00 0.00 O +ATOM 4449 HW1 SOL 959 62.490 20.160 27.160 1.00 0.00 H +ATOM 4450 HW2 SOL 959 62.660 21.620 26.830 1.00 0.00 H +ATOM 4451 OW SOL 960 42.680 31.580 41.880 1.00 0.00 O +ATOM 4452 HW1 SOL 960 42.250 31.240 41.090 1.00 0.00 H +ATOM 4453 HW2 SOL 960 42.710 30.830 42.470 1.00 0.00 H +ATOM 4454 OW SOL 961 51.110 21.940 13.620 1.00 0.00 O +ATOM 4455 HW1 SOL 961 50.190 21.770 13.830 1.00 0.00 H +ATOM 4456 HW2 SOL 961 51.180 22.890 13.610 1.00 0.00 H +ATOM 4457 OW SOL 962 4.710 53.840 39.440 1.00 0.00 O +ATOM 4458 HW1 SOL 962 4.310 53.380 40.180 1.00 0.00 H +ATOM 4459 HW2 SOL 962 4.460 54.750 39.560 1.00 0.00 H +ATOM 4460 OW SOL 963 12.940 16.510 32.750 1.00 0.00 O +ATOM 4461 HW1 SOL 963 13.860 16.790 32.790 1.00 0.00 H +ATOM 4462 HW2 SOL 963 12.610 16.680 33.630 1.00 0.00 H +ATOM 4463 OW SOL 964 63.280 20.930 23.300 1.00 0.00 O +ATOM 4464 HW1 SOL 964 63.530 20.300 22.630 1.00 0.00 H +ATOM 4465 HW2 SOL 964 63.130 20.400 24.080 1.00 0.00 H +ATOM 4466 OW SOL 965 47.910 55.040 9.960 1.00 0.00 O +ATOM 4467 HW1 SOL 965 46.980 54.810 9.960 1.00 0.00 H +ATOM 4468 HW2 SOL 965 48.090 55.290 9.060 1.00 0.00 H +ATOM 4469 OW SOL 966 32.810 61.770 42.270 1.00 0.00 O +ATOM 4470 HW1 SOL 966 32.640 61.520 41.360 1.00 0.00 H +ATOM 4471 HW2 SOL 966 32.870 60.940 42.740 1.00 0.00 H +ATOM 4472 OW SOL 967 27.200 16.270 40.350 1.00 0.00 O +ATOM 4473 HW1 SOL 967 26.310 16.220 40.700 1.00 0.00 H +ATOM 4474 HW2 SOL 967 27.100 16.130 39.410 1.00 0.00 H +ATOM 4475 OW SOL 968 9.780 58.200 9.050 1.00 0.00 O +ATOM 4476 HW1 SOL 968 8.930 58.470 8.720 1.00 0.00 H +ATOM 4477 HW2 SOL 968 9.980 57.380 8.590 1.00 0.00 H +ATOM 4478 OW SOL 969 7.730 23.480 35.850 1.00 0.00 O +ATOM 4479 HW1 SOL 969 7.710 24.060 36.610 1.00 0.00 H +ATOM 4480 HW2 SOL 969 7.800 22.600 36.220 1.00 0.00 H +ATOM 4481 OW SOL 970 43.290 21.610 50.290 1.00 0.00 O +ATOM 4482 HW1 SOL 970 44.230 21.620 50.450 1.00 0.00 H +ATOM 4483 HW2 SOL 970 43.210 21.600 49.330 1.00 0.00 H +ATOM 4484 OW SOL 971 20.712 51.009 0.085 1.00 0.00 O +ATOM 4485 HW1 SOL 971 19.922 51.319 -0.355 1.00 0.00 H +ATOM 4486 HW2 SOL 971 21.262 50.669 -0.615 1.00 0.00 H +ATOM 4487 OW SOL 972 46.910 30.760 51.600 1.00 0.00 O +ATOM 4488 HW1 SOL 972 46.390 31.020 50.840 1.00 0.00 H +ATOM 4489 HW2 SOL 972 47.130 29.840 51.440 1.00 0.00 H +ATOM 4490 OW SOL 973 38.740 16.900 34.980 1.00 0.00 O +ATOM 4491 HW1 SOL 973 38.940 16.290 35.680 1.00 0.00 H +ATOM 4492 HW2 SOL 973 39.310 16.630 34.260 1.00 0.00 H +ATOM 4493 OW SOL 974 34.680 11.290 14.440 1.00 0.00 O +ATOM 4494 HW1 SOL 974 34.630 11.930 13.730 1.00 0.00 H +ATOM 4495 HW2 SOL 974 34.990 10.490 14.020 1.00 0.00 H +ATOM 4496 OW SOL 975 44.500 17.660 22.140 1.00 0.00 O +ATOM 4497 HW1 SOL 975 43.670 17.700 22.610 1.00 0.00 H +ATOM 4498 HW2 SOL 975 44.260 17.830 21.220 1.00 0.00 H +ATOM 4499 OW SOL 976 11.180 41.020 35.860 1.00 0.00 O +ATOM 4500 HW1 SOL 976 11.140 41.780 35.270 1.00 0.00 H +ATOM 4501 HW2 SOL 976 11.620 41.350 36.640 1.00 0.00 H +ATOM 4502 OW SOL 977 36.280 49.120 42.630 1.00 0.00 O +ATOM 4503 HW1 SOL 977 36.880 48.380 42.700 1.00 0.00 H +ATOM 4504 HW2 SOL 977 35.940 49.230 43.520 1.00 0.00 H +ATOM 4505 OW SOL 978 9.270 37.750 15.750 1.00 0.00 O +ATOM 4506 HW1 SOL 978 9.280 38.700 15.610 1.00 0.00 H +ATOM 4507 HW2 SOL 978 8.420 37.570 16.160 1.00 0.00 H +ATOM 4508 OW SOL 979 44.990 36.220 27.830 1.00 0.00 O +ATOM 4509 HW1 SOL 979 44.070 36.450 27.870 1.00 0.00 H +ATOM 4510 HW2 SOL 979 45.420 36.830 28.430 1.00 0.00 H +ATOM 4511 OW SOL 980 50.760 41.400 11.200 1.00 0.00 O +ATOM 4512 HW1 SOL 980 51.360 42.080 11.510 1.00 0.00 H +ATOM 4513 HW2 SOL 980 50.080 41.870 10.730 1.00 0.00 H +ATOM 4514 OW SOL 981 42.230 1.370 13.240 1.00 0.00 O +ATOM 4515 HW1 SOL 981 42.790 1.920 13.790 1.00 0.00 H +ATOM 4516 HW2 SOL 981 41.940 0.670 13.820 1.00 0.00 H +ATOM 4517 OW SOL 982 25.690 14.420 12.670 1.00 0.00 O +ATOM 4518 HW1 SOL 982 25.750 15.050 13.390 1.00 0.00 H +ATOM 4519 HW2 SOL 982 26.470 13.880 12.750 1.00 0.00 H +ATOM 4520 OW SOL 983 5.960 54.560 2.080 1.00 0.00 O +ATOM 4521 HW1 SOL 983 5.140 55.050 2.090 1.00 0.00 H +ATOM 4522 HW2 SOL 983 5.740 53.750 1.610 1.00 0.00 H +ATOM 4523 OW SOL 984 1.220 51.050 41.040 1.00 0.00 O +ATOM 4524 HW1 SOL 984 1.120 50.400 41.730 1.00 0.00 H +ATOM 4525 HW2 SOL 984 1.620 51.810 41.470 1.00 0.00 H +ATOM 4526 OW SOL 985 4.150 15.540 52.530 1.00 0.00 O +ATOM 4527 HW1 SOL 985 3.670 15.620 53.360 1.00 0.00 H +ATOM 4528 HW2 SOL 985 5.070 15.430 52.790 1.00 0.00 H +ATOM 4529 OW SOL 986 58.140 40.250 44.820 1.00 0.00 O +ATOM 4530 HW1 SOL 986 58.270 39.360 44.490 1.00 0.00 H +ATOM 4531 HW2 SOL 986 57.290 40.510 44.490 1.00 0.00 H +ATOM 4532 OW SOL 987 1.310 46.980 8.040 1.00 0.00 O +ATOM 4533 HW1 SOL 987 1.980 46.290 7.990 1.00 0.00 H +ATOM 4534 HW2 SOL 987 1.560 47.500 8.800 1.00 0.00 H +ATOM 4535 OW SOL 988 38.170 14.860 26.300 1.00 0.00 O +ATOM 4536 HW1 SOL 988 37.250 14.700 26.520 1.00 0.00 H +ATOM 4537 HW2 SOL 988 38.530 15.280 27.080 1.00 0.00 H +ATOM 4538 OW SOL 989 60.560 39.900 47.050 1.00 0.00 O +ATOM 4539 HW1 SOL 989 61.200 40.360 46.500 1.00 0.00 H +ATOM 4540 HW2 SOL 989 59.780 39.820 46.500 1.00 0.00 H +ATOM 4541 OW SOL 990 20.350 42.030 48.920 1.00 0.00 O +ATOM 4542 HW1 SOL 990 20.530 42.930 49.210 1.00 0.00 H +ATOM 4543 HW2 SOL 990 20.700 41.990 48.030 1.00 0.00 H +ATOM 4544 OW SOL 991 6.560 18.970 12.380 1.00 0.00 O +ATOM 4545 HW1 SOL 991 6.700 19.440 13.200 1.00 0.00 H +ATOM 4546 HW2 SOL 991 7.230 19.310 11.790 1.00 0.00 H +ATOM 4547 OW SOL 992 9.590 7.680 28.790 1.00 0.00 O +ATOM 4548 HW1 SOL 992 8.690 7.480 28.530 1.00 0.00 H +ATOM 4549 HW2 SOL 992 10.070 6.870 28.630 1.00 0.00 H +ATOM 4550 OW SOL 993 53.910 52.080 21.430 1.00 0.00 O +ATOM 4551 HW1 SOL 993 54.380 51.460 20.870 1.00 0.00 H +ATOM 4552 HW2 SOL 993 53.020 52.080 21.090 1.00 0.00 H +ATOM 4553 OW SOL 994 33.810 14.140 6.990 1.00 0.00 O +ATOM 4554 HW1 SOL 994 34.280 14.840 6.530 1.00 0.00 H +ATOM 4555 HW2 SOL 994 33.840 13.390 6.390 1.00 0.00 H +ATOM 4556 OW SOL 995 48.861 0.328 49.230 1.00 0.00 O +ATOM 4557 HW1 SOL 995 48.491 -0.532 49.040 1.00 0.00 H +ATOM 4558 HW2 SOL 995 49.761 0.148 49.480 1.00 0.00 H +ATOM 4559 OW SOL 996 10.260 46.000 50.170 1.00 0.00 O +ATOM 4560 HW1 SOL 996 11.010 45.530 49.810 1.00 0.00 H +ATOM 4561 HW2 SOL 996 10.620 46.460 50.930 1.00 0.00 H +ATOM 4562 OW SOL 997 47.440 10.970 1.700 1.00 0.00 O +ATOM 4563 HW1 SOL 997 47.550 10.110 2.120 1.00 0.00 H +ATOM 4564 HW2 SOL 997 48.080 10.970 0.990 1.00 0.00 H +ATOM 4565 OW SOL 998 47.380 57.170 21.640 1.00 0.00 O +ATOM 4566 HW1 SOL 998 47.990 57.890 21.820 1.00 0.00 H +ATOM 4567 HW2 SOL 998 46.750 57.540 21.020 1.00 0.00 H +ATOM 4568 OW SOL 999 39.520 57.780 22.620 1.00 0.00 O +ATOM 4569 HW1 SOL 999 40.220 57.160 22.400 1.00 0.00 H +ATOM 4570 HW2 SOL 999 39.640 57.960 23.550 1.00 0.00 H +ATOM 4571 OW SOL 1000 7.720 31.660 27.390 1.00 0.00 O +ATOM 4572 HW1 SOL 1000 7.540 30.770 27.080 1.00 0.00 H +ATOM 4573 HW2 SOL 1000 7.470 32.230 26.660 1.00 0.00 H +ATOM 4574 OW SOL 1001 26.360 52.020 39.470 1.00 0.00 O +ATOM 4575 HW1 SOL 1001 26.780 51.470 40.130 1.00 0.00 H +ATOM 4576 HW2 SOL 1001 26.900 51.900 38.690 1.00 0.00 H +ATOM 4577 OW SOL 1002 32.220 31.610 23.060 1.00 0.00 O +ATOM 4578 HW1 SOL 1002 32.470 31.060 23.810 1.00 0.00 H +ATOM 4579 HW2 SOL 1002 33.020 31.690 22.550 1.00 0.00 H +ATOM 4580 OW SOL 1003 45.160 4.610 52.310 1.00 0.00 O +ATOM 4581 HW1 SOL 1003 45.620 5.330 52.740 1.00 0.00 H +ATOM 4582 HW2 SOL 1003 44.980 3.990 53.020 1.00 0.00 H +ATOM 4583 OW SOL 1004 23.430 51.890 26.280 1.00 0.00 O +ATOM 4584 HW1 SOL 1004 24.130 51.230 26.360 1.00 0.00 H +ATOM 4585 HW2 SOL 1004 22.660 51.390 26.030 1.00 0.00 H +ATOM 4586 OW SOL 1005 32.630 19.710 0.900 1.00 0.00 O +ATOM 4587 HW1 SOL 1005 31.860 19.310 1.310 1.00 0.00 H +ATOM 4588 HW2 SOL 1005 33.290 19.710 1.590 1.00 0.00 H +ATOM 4589 OW SOL 1006 18.330 48.050 9.430 1.00 0.00 O +ATOM 4590 HW1 SOL 1006 17.930 47.350 9.940 1.00 0.00 H +ATOM 4591 HW2 SOL 1006 19.220 48.120 9.780 1.00 0.00 H +ATOM 4592 OW SOL 1007 26.540 21.690 48.630 1.00 0.00 O +ATOM 4593 HW1 SOL 1007 26.790 22.430 48.070 1.00 0.00 H +ATOM 4594 HW2 SOL 1007 27.250 21.630 49.270 1.00 0.00 H +ATOM 4595 OW SOL 1008 14.610 21.020 8.660 1.00 0.00 O +ATOM 4596 HW1 SOL 1008 13.880 20.500 8.990 1.00 0.00 H +ATOM 4597 HW2 SOL 1008 14.250 21.490 7.910 1.00 0.00 H +ATOM 4598 OW SOL 1009 32.820 1.920 47.040 1.00 0.00 O +ATOM 4599 HW1 SOL 1009 33.480 2.020 47.720 1.00 0.00 H +ATOM 4600 HW2 SOL 1009 32.040 1.600 47.500 1.00 0.00 H +ATOM 4601 OW SOL 1010 29.168 9.001 53.465 1.00 0.00 O +ATOM 4602 HW1 SOL 1010 28.758 8.781 54.295 1.00 0.00 H +ATOM 4603 HW2 SOL 1010 30.108 8.971 53.645 1.00 0.00 H +ATOM 4604 OW SOL 1011 8.250 17.530 9.090 1.00 0.00 O +ATOM 4605 HW1 SOL 1011 8.850 17.510 8.340 1.00 0.00 H +ATOM 4606 HW2 SOL 1011 7.600 16.870 8.880 1.00 0.00 H +ATOM 4607 OW SOL 1012 36.570 32.220 44.210 1.00 0.00 O +ATOM 4608 HW1 SOL 1012 36.580 32.590 43.330 1.00 0.00 H +ATOM 4609 HW2 SOL 1012 36.360 32.960 44.780 1.00 0.00 H +ATOM 4610 OW SOL 1013 20.510 42.260 3.550 1.00 0.00 O +ATOM 4611 HW1 SOL 1013 20.340 43.100 3.110 1.00 0.00 H +ATOM 4612 HW2 SOL 1013 21.460 42.170 3.530 1.00 0.00 H +ATOM 4613 OW SOL 1014 32.970 6.540 1.220 1.00 0.00 O +ATOM 4614 HW1 SOL 1014 32.610 7.150 1.870 1.00 0.00 H +ATOM 4615 HW2 SOL 1014 33.730 6.150 1.650 1.00 0.00 H +ATOM 4616 OW SOL 1015 2.790 7.270 1.690 1.00 0.00 O +ATOM 4617 HW1 SOL 1015 2.140 7.120 2.380 1.00 0.00 H +ATOM 4618 HW2 SOL 1015 2.630 6.570 1.050 1.00 0.00 H +ATOM 4619 OW SOL 1016 2.310 38.210 19.080 1.00 0.00 O +ATOM 4620 HW1 SOL 1016 1.370 38.140 19.250 1.00 0.00 H +ATOM 4621 HW2 SOL 1016 2.450 39.120 18.830 1.00 0.00 H +ATOM 4622 OW SOL 1017 1.510 61.320 35.220 1.00 0.00 O +ATOM 4623 HW1 SOL 1017 1.410 60.380 35.360 1.00 0.00 H +ATOM 4624 HW2 SOL 1017 0.660 61.600 34.880 1.00 0.00 H +ATOM 4625 OW SOL 1018 13.810 21.820 2.640 1.00 0.00 O +ATOM 4626 HW1 SOL 1018 14.460 21.930 3.330 1.00 0.00 H +ATOM 4627 HW2 SOL 1018 14.070 22.450 1.960 1.00 0.00 H +ATOM 4628 OW SOL 1019 17.320 35.820 23.090 1.00 0.00 O +ATOM 4629 HW1 SOL 1019 18.240 36.070 23.030 1.00 0.00 H +ATOM 4630 HW2 SOL 1019 16.890 36.350 22.420 1.00 0.00 H +ATOM 4631 OW SOL 1020 51.450 34.840 0.410 1.00 0.00 O +ATOM 4632 HW1 SOL 1020 50.530 34.750 0.180 1.00 0.00 H +ATOM 4633 HW2 SOL 1020 51.910 34.370 -0.290 1.00 0.00 H +ATOM 4634 OW SOL 1021 0.840 56.670 52.480 1.00 0.00 O +ATOM 4635 HW1 SOL 1021 0.840 55.810 52.900 1.00 0.00 H +ATOM 4636 HW2 SOL 1021 1.760 56.890 52.380 1.00 0.00 H +ATOM 4637 OW SOL 1022 21.530 20.610 42.640 1.00 0.00 O +ATOM 4638 HW1 SOL 1022 21.570 20.780 41.690 1.00 0.00 H +ATOM 4639 HW2 SOL 1022 21.910 21.390 43.030 1.00 0.00 H +ATOM 4640 OW SOL 1023 8.930 54.220 29.710 1.00 0.00 O +ATOM 4641 HW1 SOL 1023 8.110 53.980 29.280 1.00 0.00 H +ATOM 4642 HW2 SOL 1023 9.580 53.640 29.320 1.00 0.00 H +ATOM 4643 OW SOL 1024 0.970 58.610 49.010 1.00 0.00 O +ATOM 4644 HW1 SOL 1024 1.510 59.330 48.700 1.00 0.00 H +ATOM 4645 HW2 SOL 1024 0.750 58.840 49.920 1.00 0.00 H +ATOM 4646 OW SOL 1025 21.070 47.220 41.110 1.00 0.00 O +ATOM 4647 HW1 SOL 1025 20.460 47.680 41.680 1.00 0.00 H +ATOM 4648 HW2 SOL 1025 20.890 47.550 40.240 1.00 0.00 H +ATOM 4649 OW SOL 1026 61.780 61.460 41.620 1.00 0.00 O +ATOM 4650 HW1 SOL 1026 62.240 60.950 42.280 1.00 0.00 H +ATOM 4651 HW2 SOL 1026 61.070 61.900 42.100 1.00 0.00 H +ATOM 4652 OW SOL 1027 13.290 2.240 15.380 1.00 0.00 O +ATOM 4653 HW1 SOL 1027 13.510 1.320 15.560 1.00 0.00 H +ATOM 4654 HW2 SOL 1027 12.550 2.190 14.780 1.00 0.00 H +ATOM 4655 OW SOL 1028 15.420 55.310 36.110 1.00 0.00 O +ATOM 4656 HW1 SOL 1028 16.220 55.660 35.730 1.00 0.00 H +ATOM 4657 HW2 SOL 1028 14.720 55.590 35.510 1.00 0.00 H +ATOM 4658 OW SOL 1029 62.950 61.160 20.730 1.00 0.00 O +ATOM 4659 HW1 SOL 1029 63.340 60.280 20.710 1.00 0.00 H +ATOM 4660 HW2 SOL 1029 63.690 61.750 20.890 1.00 0.00 H +ATOM 4661 OW SOL 1030 17.200 50.320 26.180 1.00 0.00 O +ATOM 4662 HW1 SOL 1030 17.440 50.710 25.340 1.00 0.00 H +ATOM 4663 HW2 SOL 1030 17.510 49.420 26.120 1.00 0.00 H +ATOM 4664 OW SOL 1031 38.710 22.910 0.860 1.00 0.00 O +ATOM 4665 HW1 SOL 1031 38.480 23.170 1.750 1.00 0.00 H +ATOM 4666 HW2 SOL 1031 39.500 22.370 0.960 1.00 0.00 H +ATOM 4667 OW SOL 1032 1.680 32.650 14.870 1.00 0.00 O +ATOM 4668 HW1 SOL 1032 2.490 32.180 15.070 1.00 0.00 H +ATOM 4669 HW2 SOL 1032 1.460 32.370 13.980 1.00 0.00 H +ATOM 4670 OW SOL 1033 64.470 41.170 3.930 1.00 0.00 O +ATOM 4671 HW1 SOL 1033 64.000 40.340 4.020 1.00 0.00 H +ATOM 4672 HW2 SOL 1033 65.380 40.960 4.160 1.00 0.00 H +ATOM 4673 OW SOL 1034 42.940 21.440 25.750 1.00 0.00 O +ATOM 4674 HW1 SOL 1034 43.470 22.080 26.230 1.00 0.00 H +ATOM 4675 HW2 SOL 1034 43.500 21.160 25.020 1.00 0.00 H +ATOM 4676 OW SOL 1035 28.570 61.300 52.120 1.00 0.00 O +ATOM 4677 HW1 SOL 1035 29.440 61.630 52.320 1.00 0.00 H +ATOM 4678 HW2 SOL 1035 28.440 61.500 51.200 1.00 0.00 H +ATOM 4679 OW SOL 1036 4.530 29.520 5.410 1.00 0.00 O +ATOM 4680 HW1 SOL 1036 5.340 29.290 5.880 1.00 0.00 H +ATOM 4681 HW2 SOL 1036 4.700 29.270 4.500 1.00 0.00 H +ATOM 4682 OW SOL 1037 51.200 43.700 21.290 1.00 0.00 O +ATOM 4683 HW1 SOL 1037 50.540 43.020 21.370 1.00 0.00 H +ATOM 4684 HW2 SOL 1037 51.920 43.280 20.810 1.00 0.00 H +ATOM 4685 OW SOL 1038 42.160 7.980 18.240 1.00 0.00 O +ATOM 4686 HW1 SOL 1038 41.680 7.150 18.350 1.00 0.00 H +ATOM 4687 HW2 SOL 1038 41.740 8.580 18.860 1.00 0.00 H +ATOM 4688 OW SOL 1039 54.240 35.470 27.530 1.00 0.00 O +ATOM 4689 HW1 SOL 1039 54.720 35.330 28.350 1.00 0.00 H +ATOM 4690 HW2 SOL 1039 53.330 35.260 27.750 1.00 0.00 H +ATOM 4691 OW SOL 1040 29.380 21.120 19.690 1.00 0.00 O +ATOM 4692 HW1 SOL 1040 29.310 21.430 20.600 1.00 0.00 H +ATOM 4693 HW2 SOL 1040 30.280 20.810 19.620 1.00 0.00 H +ATOM 4694 OW SOL 1041 47.570 49.670 13.570 1.00 0.00 O +ATOM 4695 HW1 SOL 1041 47.280 49.840 12.670 1.00 0.00 H +ATOM 4696 HW2 SOL 1041 47.360 48.750 13.720 1.00 0.00 H +ATOM 4697 OW SOL 1042 37.250 24.340 50.980 1.00 0.00 O +ATOM 4698 HW1 SOL 1042 38.010 24.550 51.530 1.00 0.00 H +ATOM 4699 HW2 SOL 1042 37.540 23.590 50.460 1.00 0.00 H +ATOM 4700 OW SOL 1043 51.030 12.850 40.530 1.00 0.00 O +ATOM 4701 HW1 SOL 1043 51.040 13.800 40.660 1.00 0.00 H +ATOM 4702 HW2 SOL 1043 51.050 12.740 39.580 1.00 0.00 H +ATOM 4703 OW SOL 1044 16.720 9.650 41.480 1.00 0.00 O +ATOM 4704 HW1 SOL 1044 15.940 9.260 41.080 1.00 0.00 H +ATOM 4705 HW2 SOL 1044 17.440 9.370 40.910 1.00 0.00 H +ATOM 4706 OW SOL 1045 49.190 33.660 15.860 1.00 0.00 O +ATOM 4707 HW1 SOL 1045 48.590 33.490 16.590 1.00 0.00 H +ATOM 4708 HW2 SOL 1045 48.810 33.200 15.120 1.00 0.00 H +ATOM 4709 OW SOL 1046 23.620 42.800 5.910 1.00 0.00 O +ATOM 4710 HW1 SOL 1046 24.190 43.530 6.130 1.00 0.00 H +ATOM 4711 HW2 SOL 1046 23.750 42.660 4.980 1.00 0.00 H +ATOM 4712 OW SOL 1047 0.030 35.140 34.710 1.00 0.00 O +ATOM 4713 HW1 SOL 1047 0.350 34.260 34.510 1.00 0.00 H +ATOM 4714 HW2 SOL 1047 0.570 35.720 34.180 1.00 0.00 H +ATOM 4715 OW SOL 1048 7.100 5.520 11.460 1.00 0.00 O +ATOM 4716 HW1 SOL 1048 7.910 5.830 11.060 1.00 0.00 H +ATOM 4717 HW2 SOL 1048 7.370 4.800 12.020 1.00 0.00 H +ATOM 4718 OW SOL 1049 15.480 3.120 10.830 1.00 0.00 O +ATOM 4719 HW1 SOL 1049 14.920 3.890 10.720 1.00 0.00 H +ATOM 4720 HW2 SOL 1049 14.920 2.490 11.290 1.00 0.00 H +ATOM 4721 OW SOL 1050 57.410 56.750 22.150 1.00 0.00 O +ATOM 4722 HW1 SOL 1050 57.530 57.680 22.350 1.00 0.00 H +ATOM 4723 HW2 SOL 1050 57.490 56.700 21.200 1.00 0.00 H +ATOM 4724 OW SOL 1051 59.340 43.950 37.510 1.00 0.00 O +ATOM 4725 HW1 SOL 1051 60.230 44.080 37.840 1.00 0.00 H +ATOM 4726 HW2 SOL 1051 59.450 43.740 36.590 1.00 0.00 H +ATOM 4727 OW SOL 1052 18.970 6.760 6.930 1.00 0.00 O +ATOM 4728 HW1 SOL 1052 18.210 6.190 6.820 1.00 0.00 H +ATOM 4729 HW2 SOL 1052 18.660 7.460 7.500 1.00 0.00 H +ATOM 4730 OW SOL 1053 51.740 28.550 11.730 1.00 0.00 O +ATOM 4731 HW1 SOL 1053 52.030 29.350 11.290 1.00 0.00 H +ATOM 4732 HW2 SOL 1053 50.790 28.580 11.680 1.00 0.00 H +ATOM 4733 OW SOL 1054 50.220 7.550 46.610 1.00 0.00 O +ATOM 4734 HW1 SOL 1054 51.130 7.360 46.430 1.00 0.00 H +ATOM 4735 HW2 SOL 1054 50.110 8.470 46.370 1.00 0.00 H +ATOM 4736 OW SOL 1055 32.200 9.130 40.940 1.00 0.00 O +ATOM 4737 HW1 SOL 1055 31.240 9.130 41.030 1.00 0.00 H +ATOM 4738 HW2 SOL 1055 32.520 9.020 41.830 1.00 0.00 H +ATOM 4739 OW SOL 1056 0.300 51.860 51.300 1.00 0.00 O +ATOM 4740 HW1 SOL 1056 0.730 51.700 52.140 1.00 0.00 H +ATOM 4741 HW2 SOL 1056 0.720 52.640 50.940 1.00 0.00 H +ATOM 4742 OW SOL 1057 45.750 2.150 33.870 1.00 0.00 O +ATOM 4743 HW1 SOL 1057 45.750 1.420 34.490 1.00 0.00 H +ATOM 4744 HW2 SOL 1057 45.060 2.730 34.190 1.00 0.00 H +ATOM 4745 OW SOL 1058 20.040 17.090 15.500 1.00 0.00 O +ATOM 4746 HW1 SOL 1058 19.710 16.660 14.710 1.00 0.00 H +ATOM 4747 HW2 SOL 1058 20.550 17.830 15.170 1.00 0.00 H +ATOM 4748 OW SOL 1059 2.140 40.540 22.790 1.00 0.00 O +ATOM 4749 HW1 SOL 1059 2.060 41.420 22.420 1.00 0.00 H +ATOM 4750 HW2 SOL 1059 1.530 40.010 22.280 1.00 0.00 H +ATOM 4751 OW SOL 1060 60.570 53.260 33.340 1.00 0.00 O +ATOM 4752 HW1 SOL 1060 59.850 53.070 33.950 1.00 0.00 H +ATOM 4753 HW2 SOL 1060 61.350 52.910 33.770 1.00 0.00 H +ATOM 4754 OW SOL 1061 54.840 37.500 26.020 1.00 0.00 O +ATOM 4755 HW1 SOL 1061 55.350 38.090 26.570 1.00 0.00 H +ATOM 4756 HW2 SOL 1061 54.650 36.750 26.580 1.00 0.00 H +ATOM 4757 OW SOL 1062 62.040 61.750 48.840 1.00 0.00 O +ATOM 4758 HW1 SOL 1062 61.700 61.140 49.490 1.00 0.00 H +ATOM 4759 HW2 SOL 1062 62.420 62.460 49.340 1.00 0.00 H +ATOM 4760 OW SOL 1063 53.530 14.920 1.420 1.00 0.00 O +ATOM 4761 HW1 SOL 1063 53.420 15.120 2.340 1.00 0.00 H +ATOM 4762 HW2 SOL 1063 52.820 14.310 1.220 1.00 0.00 H +ATOM 4763 OW SOL 1064 11.420 44.840 12.030 1.00 0.00 O +ATOM 4764 HW1 SOL 1064 12.290 44.640 12.390 1.00 0.00 H +ATOM 4765 HW2 SOL 1064 10.820 44.700 12.770 1.00 0.00 H +ATOM 4766 OW SOL 1065 35.280 54.460 10.680 1.00 0.00 O +ATOM 4767 HW1 SOL 1065 35.910 53.890 10.230 1.00 0.00 H +ATOM 4768 HW2 SOL 1065 35.020 53.960 11.460 1.00 0.00 H +ATOM 4769 OW SOL 1066 59.640 60.420 13.110 1.00 0.00 O +ATOM 4770 HW1 SOL 1066 58.730 60.720 13.160 1.00 0.00 H +ATOM 4771 HW2 SOL 1066 60.100 61.110 12.630 1.00 0.00 H +ATOM 4772 OW SOL 1067 14.870 4.390 41.550 1.00 0.00 O +ATOM 4773 HW1 SOL 1067 14.390 3.640 41.900 1.00 0.00 H +ATOM 4774 HW2 SOL 1067 15.790 4.170 41.680 1.00 0.00 H +ATOM 4775 OW SOL 1068 13.020 55.640 39.070 1.00 0.00 O +ATOM 4776 HW1 SOL 1068 13.520 56.420 38.840 1.00 0.00 H +ATOM 4777 HW2 SOL 1068 12.230 55.970 39.490 1.00 0.00 H +ATOM 4778 OW SOL 1069 18.800 9.800 24.910 1.00 0.00 O +ATOM 4779 HW1 SOL 1069 18.630 10.100 24.020 1.00 0.00 H +ATOM 4780 HW2 SOL 1069 19.700 9.500 24.900 1.00 0.00 H +ATOM 4781 OW SOL 1070 51.020 20.780 7.020 1.00 0.00 O +ATOM 4782 HW1 SOL 1070 51.050 20.580 6.080 1.00 0.00 H +ATOM 4783 HW2 SOL 1070 51.860 21.200 7.210 1.00 0.00 H +ATOM 4784 OW SOL 1071 10.590 29.610 39.930 1.00 0.00 O +ATOM 4785 HW1 SOL 1071 9.950 29.350 39.270 1.00 0.00 H +ATOM 4786 HW2 SOL 1071 11.430 29.290 39.580 1.00 0.00 H +ATOM 4787 OW SOL 1072 32.780 14.100 33.810 1.00 0.00 O +ATOM 4788 HW1 SOL 1072 32.320 14.870 33.460 1.00 0.00 H +ATOM 4789 HW2 SOL 1072 33.500 13.950 33.190 1.00 0.00 H +ATOM 4790 OW SOL 1073 57.470 59.300 38.880 1.00 0.00 O +ATOM 4791 HW1 SOL 1073 58.020 58.740 38.320 1.00 0.00 H +ATOM 4792 HW2 SOL 1073 57.950 60.120 38.950 1.00 0.00 H +ATOM 4793 OW SOL 1074 62.990 11.910 12.330 1.00 0.00 O +ATOM 4794 HW1 SOL 1074 63.930 11.770 12.430 1.00 0.00 H +ATOM 4795 HW2 SOL 1074 62.800 12.690 12.860 1.00 0.00 H +ATOM 4796 OW SOL 1075 48.340 32.050 20.390 1.00 0.00 O +ATOM 4797 HW1 SOL 1075 49.270 32.230 20.310 1.00 0.00 H +ATOM 4798 HW2 SOL 1075 48.180 32.020 21.340 1.00 0.00 H +ATOM 4799 OW SOL 1076 61.394 30.547 0.065 1.00 0.00 O +ATOM 4800 HW1 SOL 1076 60.734 30.517 -0.635 1.00 0.00 H +ATOM 4801 HW2 SOL 1076 61.244 31.397 0.485 1.00 0.00 H +ATOM 4802 OW SOL 1077 5.770 9.720 34.790 1.00 0.00 O +ATOM 4803 HW1 SOL 1077 6.550 10.130 35.160 1.00 0.00 H +ATOM 4804 HW2 SOL 1077 5.740 8.860 35.200 1.00 0.00 H +ATOM 4805 OW SOL 1078 21.410 60.180 46.850 1.00 0.00 O +ATOM 4806 HW1 SOL 1078 21.660 61.010 46.430 1.00 0.00 H +ATOM 4807 HW2 SOL 1078 20.460 60.180 46.830 1.00 0.00 H +ATOM 4808 OW SOL 1079 32.970 16.970 33.070 1.00 0.00 O +ATOM 4809 HW1 SOL 1079 33.870 17.050 33.380 1.00 0.00 H +ATOM 4810 HW2 SOL 1079 32.450 17.460 33.710 1.00 0.00 H +ATOM 4811 OW SOL 1080 53.850 18.020 19.260 1.00 0.00 O +ATOM 4812 HW1 SOL 1080 53.900 17.290 19.870 1.00 0.00 H +ATOM 4813 HW2 SOL 1080 53.770 17.610 18.400 1.00 0.00 H +ATOM 4814 OW SOL 1081 15.020 15.760 47.040 1.00 0.00 O +ATOM 4815 HW1 SOL 1081 15.860 15.430 46.730 1.00 0.00 H +ATOM 4816 HW2 SOL 1081 14.730 16.360 46.350 1.00 0.00 H +ATOM 4817 OW SOL 1082 18.120 17.800 20.070 1.00 0.00 O +ATOM 4818 HW1 SOL 1082 18.530 17.690 20.930 1.00 0.00 H +ATOM 4819 HW2 SOL 1082 17.300 17.300 20.130 1.00 0.00 H +ATOM 4820 OW SOL 1083 55.300 41.290 45.240 1.00 0.00 O +ATOM 4821 HW1 SOL 1083 55.290 40.360 45.480 1.00 0.00 H +ATOM 4822 HW2 SOL 1083 55.590 41.740 46.040 1.00 0.00 H +ATOM 4823 OW SOL 1084 62.610 52.910 29.290 1.00 0.00 O +ATOM 4824 HW1 SOL 1084 61.720 52.790 29.620 1.00 0.00 H +ATOM 4825 HW2 SOL 1084 63.120 53.190 30.050 1.00 0.00 H +ATOM 4826 OW SOL 1085 30.820 38.560 43.950 1.00 0.00 O +ATOM 4827 HW1 SOL 1085 29.940 38.900 44.060 1.00 0.00 H +ATOM 4828 HW2 SOL 1085 30.830 37.740 44.450 1.00 0.00 H +ATOM 4829 OW SOL 1086 59.560 45.970 48.000 1.00 0.00 O +ATOM 4830 HW1 SOL 1086 59.030 45.290 48.410 1.00 0.00 H +ATOM 4831 HW2 SOL 1086 60.300 45.500 47.610 1.00 0.00 H +ATOM 4832 OW SOL 1087 6.460 47.270 12.670 1.00 0.00 O +ATOM 4833 HW1 SOL 1087 6.640 48.200 12.530 1.00 0.00 H +ATOM 4834 HW2 SOL 1087 5.940 47.010 11.910 1.00 0.00 H +ATOM 4835 OW SOL 1088 21.100 26.410 50.400 1.00 0.00 O +ATOM 4836 HW1 SOL 1088 20.730 26.280 49.530 1.00 0.00 H +ATOM 4837 HW2 SOL 1088 21.980 26.040 50.350 1.00 0.00 H +ATOM 4838 OW SOL 1089 64.420 3.990 2.430 1.00 0.00 O +ATOM 4839 HW1 SOL 1089 63.510 4.020 2.740 1.00 0.00 H +ATOM 4840 HW2 SOL 1089 64.350 3.840 1.490 1.00 0.00 H +ATOM 4841 OW SOL 1090 47.430 28.490 11.830 1.00 0.00 O +ATOM 4842 HW1 SOL 1090 46.910 28.450 12.630 1.00 0.00 H +ATOM 4843 HW2 SOL 1090 47.010 27.870 11.230 1.00 0.00 H +ATOM 4844 OW SOL 1091 0.360 11.930 51.470 1.00 0.00 O +ATOM 4845 HW1 SOL 1091 -0.450 12.320 51.140 1.00 0.00 H +ATOM 4846 HW2 SOL 1091 0.100 11.490 52.270 1.00 0.00 H +ATOM 4847 OW SOL 1092 0.460 61.250 28.120 1.00 0.00 O +ATOM 4848 HW1 SOL 1092 -0.200 60.580 27.920 1.00 0.00 H +ATOM 4849 HW2 SOL 1092 -0.050 62.060 28.250 1.00 0.00 H +ATOM 4850 OW SOL 1093 37.850 39.650 46.870 1.00 0.00 O +ATOM 4851 HW1 SOL 1093 38.480 39.800 47.570 1.00 0.00 H +ATOM 4852 HW2 SOL 1093 37.140 39.140 47.270 1.00 0.00 H +ATOM 4853 OW SOL 1094 13.680 10.360 29.390 1.00 0.00 O +ATOM 4854 HW1 SOL 1094 14.610 10.130 29.330 1.00 0.00 H +ATOM 4855 HW2 SOL 1094 13.270 9.860 28.680 1.00 0.00 H +ATOM 4856 OW SOL 1095 54.510 52.690 40.890 1.00 0.00 O +ATOM 4857 HW1 SOL 1095 54.540 53.250 41.660 1.00 0.00 H +ATOM 4858 HW2 SOL 1095 54.470 53.290 40.150 1.00 0.00 H +ATOM 4859 OW SOL 1096 40.660 48.950 48.560 1.00 0.00 O +ATOM 4860 HW1 SOL 1096 40.080 49.240 49.270 1.00 0.00 H +ATOM 4861 HW2 SOL 1096 41.310 48.410 48.990 1.00 0.00 H +ATOM 4862 OW SOL 1097 25.540 41.480 48.980 1.00 0.00 O +ATOM 4863 HW1 SOL 1097 24.730 41.340 49.470 1.00 0.00 H +ATOM 4864 HW2 SOL 1097 25.680 40.660 48.500 1.00 0.00 H +ATOM 4865 OW SOL 1098 42.610 46.640 16.030 1.00 0.00 O +ATOM 4866 HW1 SOL 1098 42.420 46.830 15.110 1.00 0.00 H +ATOM 4867 HW2 SOL 1098 43.490 47.010 16.170 1.00 0.00 H +ATOM 4868 OW SOL 1099 17.050 35.470 33.090 1.00 0.00 O +ATOM 4869 HW1 SOL 1099 17.540 34.820 32.580 1.00 0.00 H +ATOM 4870 HW2 SOL 1099 16.900 35.050 33.940 1.00 0.00 H +ATOM 4871 OW SOL 1100 34.350 26.790 34.240 1.00 0.00 O +ATOM 4872 HW1 SOL 1100 33.540 26.320 34.480 1.00 0.00 H +ATOM 4873 HW2 SOL 1100 34.850 26.150 33.730 1.00 0.00 H +ATOM 4874 OW SOL 1101 47.480 28.990 43.000 1.00 0.00 O +ATOM 4875 HW1 SOL 1101 47.220 29.900 42.880 1.00 0.00 H +ATOM 4876 HW2 SOL 1101 46.710 28.560 43.370 1.00 0.00 H +ATOM 4877 OW SOL 1102 63.460 8.140 39.580 1.00 0.00 O +ATOM 4878 HW1 SOL 1102 62.610 8.330 39.970 1.00 0.00 H +ATOM 4879 HW2 SOL 1102 63.250 7.650 38.780 1.00 0.00 H +ATOM 4880 OW SOL 1103 9.650 27.340 9.090 1.00 0.00 O +ATOM 4881 HW1 SOL 1103 8.810 27.810 9.130 1.00 0.00 H +ATOM 4882 HW2 SOL 1103 9.410 26.420 9.230 1.00 0.00 H +ATOM 4883 OW SOL 1104 6.150 25.510 18.680 1.00 0.00 O +ATOM 4884 HW1 SOL 1104 5.780 24.680 18.370 1.00 0.00 H +ATOM 4885 HW2 SOL 1104 6.330 26.000 17.880 1.00 0.00 H +ATOM 4886 OW SOL 1105 3.180 39.110 31.520 1.00 0.00 O +ATOM 4887 HW1 SOL 1105 3.400 39.690 30.780 1.00 0.00 H +ATOM 4888 HW2 SOL 1105 3.190 39.680 32.280 1.00 0.00 H +ATOM 4889 OW SOL 1106 5.630 4.920 26.040 1.00 0.00 O +ATOM 4890 HW1 SOL 1106 4.680 4.960 26.080 1.00 0.00 H +ATOM 4891 HW2 SOL 1106 5.830 4.670 25.140 1.00 0.00 H +ATOM 4892 OW SOL 1107 18.740 44.660 47.400 1.00 0.00 O +ATOM 4893 HW1 SOL 1107 19.200 44.560 48.230 1.00 0.00 H +ATOM 4894 HW2 SOL 1107 19.310 45.220 46.880 1.00 0.00 H +ATOM 4895 OW SOL 1108 64.330 31.100 29.450 1.00 0.00 O +ATOM 4896 HW1 SOL 1108 64.400 30.330 30.030 1.00 0.00 H +ATOM 4897 HW2 SOL 1108 64.870 30.870 28.690 1.00 0.00 H +ATOM 4898 OW SOL 1109 53.750 47.250 35.080 1.00 0.00 O +ATOM 4899 HW1 SOL 1109 53.140 47.660 34.460 1.00 0.00 H +ATOM 4900 HW2 SOL 1109 53.370 46.390 35.250 1.00 0.00 H +ATOM 4901 OW SOL 1110 65.455 11.000 31.230 1.00 0.00 O +ATOM 4902 HW1 SOL 1110 65.505 11.050 30.280 1.00 0.00 H +ATOM 4903 HW2 SOL 1110 66.335 11.210 31.540 1.00 0.00 H +ATOM 4904 OW SOL 1111 21.620 17.240 24.380 1.00 0.00 O +ATOM 4905 HW1 SOL 1111 21.620 16.510 24.990 1.00 0.00 H +ATOM 4906 HW2 SOL 1111 21.240 17.970 24.880 1.00 0.00 H +ATOM 4907 OW SOL 1112 17.080 34.300 28.260 1.00 0.00 O +ATOM 4908 HW1 SOL 1112 16.510 34.460 29.010 1.00 0.00 H +ATOM 4909 HW2 SOL 1112 17.020 35.090 27.730 1.00 0.00 H +ATOM 4910 OW SOL 1113 15.450 15.680 24.850 1.00 0.00 O +ATOM 4911 HW1 SOL 1113 15.910 15.890 24.040 1.00 0.00 H +ATOM 4912 HW2 SOL 1113 14.540 15.910 24.690 1.00 0.00 H +ATOM 4913 OW SOL 1114 13.140 40.120 32.440 1.00 0.00 O +ATOM 4914 HW1 SOL 1114 13.460 39.410 31.880 1.00 0.00 H +ATOM 4915 HW2 SOL 1114 12.390 39.740 32.910 1.00 0.00 H +ATOM 4916 OW SOL 1115 23.200 31.570 3.510 1.00 0.00 O +ATOM 4917 HW1 SOL 1115 22.670 30.820 3.780 1.00 0.00 H +ATOM 4918 HW2 SOL 1115 24.100 31.250 3.500 1.00 0.00 H +ATOM 4919 OW SOL 1116 62.050 38.310 29.570 1.00 0.00 O +ATOM 4920 HW1 SOL 1116 62.060 37.580 28.960 1.00 0.00 H +ATOM 4921 HW2 SOL 1116 61.220 38.230 30.030 1.00 0.00 H +ATOM 4922 OW SOL 1117 36.040 60.060 34.520 1.00 0.00 O +ATOM 4923 HW1 SOL 1117 35.100 60.110 34.670 1.00 0.00 H +ATOM 4924 HW2 SOL 1117 36.200 60.630 33.770 1.00 0.00 H +ATOM 4925 OW SOL 1118 15.600 54.100 52.050 1.00 0.00 O +ATOM 4926 HW1 SOL 1118 16.050 54.040 52.890 1.00 0.00 H +ATOM 4927 HW2 SOL 1118 14.680 54.230 52.280 1.00 0.00 H +ATOM 4928 OW SOL 1119 32.850 11.830 52.950 1.00 0.00 O +ATOM 4929 HW1 SOL 1119 32.450 11.070 52.530 1.00 0.00 H +ATOM 4930 HW2 SOL 1119 33.410 12.220 52.270 1.00 0.00 H +ATOM 4931 OW SOL 1120 36.400 15.360 34.540 1.00 0.00 O +ATOM 4932 HW1 SOL 1120 37.280 15.730 34.620 1.00 0.00 H +ATOM 4933 HW2 SOL 1120 35.810 16.070 34.800 1.00 0.00 H +ATOM 4934 OW SOL 1121 48.650 49.560 18.240 1.00 0.00 O +ATOM 4935 HW1 SOL 1121 48.620 48.610 18.110 1.00 0.00 H +ATOM 4936 HW2 SOL 1121 49.580 49.770 18.320 1.00 0.00 H +ATOM 4937 OW SOL 1122 20.880 21.740 51.150 1.00 0.00 O +ATOM 4938 HW1 SOL 1122 20.880 22.070 52.050 1.00 0.00 H +ATOM 4939 HW2 SOL 1122 20.320 20.960 51.170 1.00 0.00 H +ATOM 4940 OW SOL 1123 55.960 28.830 50.530 1.00 0.00 O +ATOM 4941 HW1 SOL 1123 55.940 28.610 51.460 1.00 0.00 H +ATOM 4942 HW2 SOL 1123 56.590 28.210 50.150 1.00 0.00 H +ATOM 4943 OW SOL 1124 4.460 45.080 6.970 1.00 0.00 O +ATOM 4944 HW1 SOL 1124 4.340 45.670 6.220 1.00 0.00 H +ATOM 4945 HW2 SOL 1124 5.410 44.970 7.030 1.00 0.00 H +ATOM 4946 OW SOL 1125 33.290 32.400 15.570 1.00 0.00 O +ATOM 4947 HW1 SOL 1125 33.760 32.230 16.380 1.00 0.00 H +ATOM 4948 HW2 SOL 1125 33.940 32.790 14.990 1.00 0.00 H +ATOM 4949 OW SOL 1126 35.800 36.110 51.130 1.00 0.00 O +ATOM 4950 HW1 SOL 1126 34.870 36.270 51.340 1.00 0.00 H +ATOM 4951 HW2 SOL 1126 35.910 36.500 50.270 1.00 0.00 H +ATOM 4952 OW SOL 1127 13.390 12.400 47.500 1.00 0.00 O +ATOM 4953 HW1 SOL 1127 13.270 11.580 47.020 1.00 0.00 H +ATOM 4954 HW2 SOL 1127 12.560 12.860 47.410 1.00 0.00 H +ATOM 4955 OW SOL 1128 65.110 42.490 46.420 1.00 0.00 O +ATOM 4956 HW1 SOL 1128 65.160 42.150 47.310 1.00 0.00 H +ATOM 4957 HW2 SOL 1128 65.290 43.430 46.520 1.00 0.00 H +ATOM 4958 OW SOL 1129 62.270 9.970 35.870 1.00 0.00 O +ATOM 4959 HW1 SOL 1129 61.970 10.200 35.000 1.00 0.00 H +ATOM 4960 HW2 SOL 1129 62.770 10.740 36.160 1.00 0.00 H +ATOM 4961 OW SOL 1130 3.110 58.960 44.220 1.00 0.00 O +ATOM 4962 HW1 SOL 1130 3.860 58.660 44.740 1.00 0.00 H +ATOM 4963 HW2 SOL 1130 2.340 58.670 44.710 1.00 0.00 H +ATOM 4964 OW SOL 1131 43.560 21.410 38.810 1.00 0.00 O +ATOM 4965 HW1 SOL 1131 44.390 20.940 38.960 1.00 0.00 H +ATOM 4966 HW2 SOL 1131 43.350 21.250 37.890 1.00 0.00 H +ATOM 4967 OW SOL 1132 2.870 16.360 25.670 1.00 0.00 O +ATOM 4968 HW1 SOL 1132 1.940 16.190 25.580 1.00 0.00 H +ATOM 4969 HW2 SOL 1132 3.120 16.800 24.860 1.00 0.00 H +ATOM 4970 OW SOL 1133 33.630 1.340 39.010 1.00 0.00 O +ATOM 4971 HW1 SOL 1133 33.210 0.550 39.350 1.00 0.00 H +ATOM 4972 HW2 SOL 1133 34.560 1.200 39.150 1.00 0.00 H +ATOM 4973 OW SOL 1134 19.990 22.750 16.240 1.00 0.00 O +ATOM 4974 HW1 SOL 1134 19.410 22.460 15.530 1.00 0.00 H +ATOM 4975 HW2 SOL 1134 20.620 22.030 16.340 1.00 0.00 H +ATOM 4976 OW SOL 1135 14.960 0.120 7.020 1.00 0.00 O +ATOM 4977 HW1 SOL 1135 15.630 0.790 7.160 1.00 0.00 H +ATOM 4978 HW2 SOL 1135 14.810 0.130 6.070 1.00 0.00 H +ATOM 4979 OW SOL 1136 33.620 51.530 3.000 1.00 0.00 O +ATOM 4980 HW1 SOL 1136 34.130 51.820 3.750 1.00 0.00 H +ATOM 4981 HW2 SOL 1136 33.710 50.580 3.000 1.00 0.00 H +ATOM 4982 OW SOL 1137 18.110 9.290 27.340 1.00 0.00 O +ATOM 4983 HW1 SOL 1137 18.030 9.550 26.430 1.00 0.00 H +ATOM 4984 HW2 SOL 1137 18.570 8.450 27.310 1.00 0.00 H +ATOM 4985 OW SOL 1138 23.480 31.310 22.770 1.00 0.00 O +ATOM 4986 HW1 SOL 1138 23.140 30.770 23.480 1.00 0.00 H +ATOM 4987 HW2 SOL 1138 22.920 32.080 22.760 1.00 0.00 H +ATOM 4988 OW SOL 1139 28.970 36.350 49.940 1.00 0.00 O +ATOM 4989 HW1 SOL 1139 29.280 36.710 49.100 1.00 0.00 H +ATOM 4990 HW2 SOL 1139 28.110 36.760 50.070 1.00 0.00 H +ATOM 4991 OW SOL 1140 47.470 6.120 11.460 1.00 0.00 O +ATOM 4992 HW1 SOL 1140 47.880 5.770 10.680 1.00 0.00 H +ATOM 4993 HW2 SOL 1140 47.180 5.360 11.950 1.00 0.00 H +ATOM 4994 OW SOL 1141 7.780 40.250 20.460 1.00 0.00 O +ATOM 4995 HW1 SOL 1141 7.200 40.970 20.210 1.00 0.00 H +ATOM 4996 HW2 SOL 1141 8.440 40.230 19.770 1.00 0.00 H +ATOM 4997 OW SOL 1142 25.150 31.190 44.020 1.00 0.00 O +ATOM 4998 HW1 SOL 1142 24.400 31.740 44.230 1.00 0.00 H +ATOM 4999 HW2 SOL 1142 25.300 31.340 43.080 1.00 0.00 H +ATOM 5000 OW SOL 1143 48.950 35.530 34.080 1.00 0.00 O +ATOM 5001 HW1 SOL 1143 49.090 36.250 33.460 1.00 0.00 H +ATOM 5002 HW2 SOL 1143 48.090 35.710 34.470 1.00 0.00 H +ATOM 5003 OW SOL 1144 56.670 46.200 26.020 1.00 0.00 O +ATOM 5004 HW1 SOL 1144 57.270 45.460 25.890 1.00 0.00 H +ATOM 5005 HW2 SOL 1144 56.260 46.020 26.860 1.00 0.00 H +ATOM 5006 OW SOL 1145 25.260 26.240 53.090 1.00 0.00 O +ATOM 5007 HW1 SOL 1145 26.100 26.110 52.660 1.00 0.00 H +ATOM 5008 HW2 SOL 1145 24.610 26.130 52.400 1.00 0.00 H +ATOM 5009 OW SOL 1146 5.100 23.860 40.890 1.00 0.00 O +ATOM 5010 HW1 SOL 1146 5.790 24.000 41.530 1.00 0.00 H +ATOM 5011 HW2 SOL 1146 5.010 22.900 40.830 1.00 0.00 H +ATOM 5012 OW SOL 1147 9.950 8.820 5.390 1.00 0.00 O +ATOM 5013 HW1 SOL 1147 9.150 8.380 5.110 1.00 0.00 H +ATOM 5014 HW2 SOL 1147 10.250 9.290 4.610 1.00 0.00 H +ATOM 5015 OW SOL 1148 17.670 0.540 37.670 1.00 0.00 O +ATOM 5016 HW1 SOL 1148 16.830 0.120 37.850 1.00 0.00 H +ATOM 5017 HW2 SOL 1148 18.250 -0.180 37.420 1.00 0.00 H +ATOM 5018 OW SOL 1149 21.010 21.700 23.690 1.00 0.00 O +ATOM 5019 HW1 SOL 1149 21.280 21.200 22.910 1.00 0.00 H +ATOM 5020 HW2 SOL 1149 20.110 21.410 23.850 1.00 0.00 H +ATOM 5021 OW SOL 1150 42.400 18.040 24.500 1.00 0.00 O +ATOM 5022 HW1 SOL 1150 41.700 18.620 24.800 1.00 0.00 H +ATOM 5023 HW2 SOL 1150 43.200 18.550 24.620 1.00 0.00 H +ATOM 5024 OW SOL 1151 51.670 37.880 36.270 1.00 0.00 O +ATOM 5025 HW1 SOL 1151 51.570 36.940 36.360 1.00 0.00 H +ATOM 5026 HW2 SOL 1151 52.020 38.170 37.120 1.00 0.00 H +ATOM 5027 OW SOL 1152 6.740 32.820 5.490 1.00 0.00 O +ATOM 5028 HW1 SOL 1152 5.960 32.350 5.190 1.00 0.00 H +ATOM 5029 HW2 SOL 1152 6.630 32.880 6.440 1.00 0.00 H +ATOM 5030 OW SOL 1153 35.910 1.990 27.050 1.00 0.00 O +ATOM 5031 HW1 SOL 1153 36.060 1.080 26.800 1.00 0.00 H +ATOM 5032 HW2 SOL 1153 34.970 2.130 26.930 1.00 0.00 H +ATOM 5033 OW SOL 1154 19.420 33.010 3.750 1.00 0.00 O +ATOM 5034 HW1 SOL 1154 20.170 33.600 3.880 1.00 0.00 H +ATOM 5035 HW2 SOL 1154 19.810 32.170 3.530 1.00 0.00 H +ATOM 5036 OW SOL 1155 17.510 9.150 33.500 1.00 0.00 O +ATOM 5037 HW1 SOL 1155 18.260 9.190 32.910 1.00 0.00 H +ATOM 5038 HW2 SOL 1155 17.650 9.870 34.120 1.00 0.00 H +ATOM 5039 OW SOL 1156 28.090 40.390 8.010 1.00 0.00 O +ATOM 5040 HW1 SOL 1156 29.030 40.510 8.120 1.00 0.00 H +ATOM 5041 HW2 SOL 1156 27.940 39.470 8.240 1.00 0.00 H +ATOM 5042 OW SOL 1157 49.860 0.670 46.470 1.00 0.00 O +ATOM 5043 HW1 SOL 1157 50.020 0.820 47.400 1.00 0.00 H +ATOM 5044 HW2 SOL 1157 49.040 1.110 46.290 1.00 0.00 H +ATOM 5045 OW SOL 1158 27.120 20.640 44.970 1.00 0.00 O +ATOM 5046 HW1 SOL 1158 27.250 20.950 44.070 1.00 0.00 H +ATOM 5047 HW2 SOL 1158 26.180 20.450 45.030 1.00 0.00 H +ATOM 5048 OW SOL 1159 1.480 42.490 31.800 1.00 0.00 O +ATOM 5049 HW1 SOL 1159 1.990 42.170 32.540 1.00 0.00 H +ATOM 5050 HW2 SOL 1159 0.710 42.910 32.200 1.00 0.00 H +ATOM 5051 OW SOL 1160 49.080 8.660 17.010 1.00 0.00 O +ATOM 5052 HW1 SOL 1160 49.960 8.540 16.650 1.00 0.00 H +ATOM 5053 HW2 SOL 1160 48.580 9.090 16.310 1.00 0.00 H +ATOM 5054 OW SOL 1161 55.990 16.460 0.200 1.00 0.00 O +ATOM 5055 HW1 SOL 1161 56.390 15.680 0.590 1.00 0.00 H +ATOM 5056 HW2 SOL 1161 55.060 16.240 0.120 1.00 0.00 H +ATOM 5057 OW SOL 1162 36.010 1.130 6.130 1.00 0.00 O +ATOM 5058 HW1 SOL 1162 36.110 0.900 7.060 1.00 0.00 H +ATOM 5059 HW2 SOL 1162 36.380 0.380 5.670 1.00 0.00 H +ATOM 5060 OW SOL 1163 4.490 55.180 16.790 1.00 0.00 O +ATOM 5061 HW1 SOL 1163 4.250 55.700 16.020 1.00 0.00 H +ATOM 5062 HW2 SOL 1163 4.990 55.790 17.340 1.00 0.00 H +ATOM 5063 OW SOL 1164 20.240 25.160 19.210 1.00 0.00 O +ATOM 5064 HW1 SOL 1164 20.120 25.660 18.410 1.00 0.00 H +ATOM 5065 HW2 SOL 1164 19.580 25.490 19.810 1.00 0.00 H +ATOM 5066 OW SOL 1165 11.880 39.970 4.300 1.00 0.00 O +ATOM 5067 HW1 SOL 1165 12.180 40.680 4.870 1.00 0.00 H +ATOM 5068 HW2 SOL 1165 11.860 40.360 3.430 1.00 0.00 H +ATOM 5069 OW SOL 1166 12.590 26.190 34.050 1.00 0.00 O +ATOM 5070 HW1 SOL 1166 11.810 25.640 33.930 1.00 0.00 H +ATOM 5071 HW2 SOL 1166 12.540 26.820 33.340 1.00 0.00 H +ATOM 5072 OW SOL 1167 57.150 60.780 36.160 1.00 0.00 O +ATOM 5073 HW1 SOL 1167 57.980 60.790 35.690 1.00 0.00 H +ATOM 5074 HW2 SOL 1167 56.600 60.180 35.650 1.00 0.00 H +ATOM 5075 OW SOL 1168 18.450 23.680 40.270 1.00 0.00 O +ATOM 5076 HW1 SOL 1168 19.160 23.570 39.640 1.00 0.00 H +ATOM 5077 HW2 SOL 1168 17.660 23.470 39.780 1.00 0.00 H +ATOM 5078 OW SOL 1169 43.760 44.010 22.070 1.00 0.00 O +ATOM 5079 HW1 SOL 1169 43.710 43.100 22.360 1.00 0.00 H +ATOM 5080 HW2 SOL 1169 44.290 43.990 21.280 1.00 0.00 H +ATOM 5081 OW SOL 1170 35.360 53.960 4.100 1.00 0.00 O +ATOM 5082 HW1 SOL 1170 35.420 53.410 4.880 1.00 0.00 H +ATOM 5083 HW2 SOL 1170 34.420 54.070 3.960 1.00 0.00 H +ATOM 5084 OW SOL 1171 28.050 34.050 42.110 1.00 0.00 O +ATOM 5085 HW1 SOL 1171 27.720 33.770 41.260 1.00 0.00 H +ATOM 5086 HW2 SOL 1171 28.660 33.360 42.370 1.00 0.00 H +ATOM 5087 OW SOL 1172 41.130 6.720 45.260 1.00 0.00 O +ATOM 5088 HW1 SOL 1172 40.440 6.480 45.890 1.00 0.00 H +ATOM 5089 HW2 SOL 1172 41.560 7.470 45.660 1.00 0.00 H +ATOM 5090 OW SOL 1173 32.730 0.840 23.270 1.00 0.00 O +ATOM 5091 HW1 SOL 1173 32.480 -0.070 23.100 1.00 0.00 H +ATOM 5092 HW2 SOL 1173 32.020 1.190 23.810 1.00 0.00 H +ATOM 5093 OW SOL 1174 62.290 51.630 47.070 1.00 0.00 O +ATOM 5094 HW1 SOL 1174 62.070 52.160 47.840 1.00 0.00 H +ATOM 5095 HW2 SOL 1174 63.250 51.660 47.030 1.00 0.00 H +ATOM 5096 OW SOL 1175 55.320 32.070 36.720 1.00 0.00 O +ATOM 5097 HW1 SOL 1175 56.000 32.450 37.280 1.00 0.00 H +ATOM 5098 HW2 SOL 1175 54.500 32.470 37.030 1.00 0.00 H +ATOM 5099 OW SOL 1176 51.880 23.070 33.270 1.00 0.00 O +ATOM 5100 HW1 SOL 1176 52.210 23.690 32.620 1.00 0.00 H +ATOM 5101 HW2 SOL 1176 52.580 22.970 33.900 1.00 0.00 H +ATOM 5102 OW SOL 1177 2.240 13.100 37.840 1.00 0.00 O +ATOM 5103 HW1 SOL 1177 1.980 13.390 38.720 1.00 0.00 H +ATOM 5104 HW2 SOL 1177 1.710 12.320 37.670 1.00 0.00 H +ATOM 5105 OW SOL 1178 22.740 10.850 48.750 1.00 0.00 O +ATOM 5106 HW1 SOL 1178 23.100 11.460 49.380 1.00 0.00 H +ATOM 5107 HW2 SOL 1178 22.370 10.140 49.280 1.00 0.00 H +ATOM 5108 OW SOL 1179 27.120 6.210 28.590 1.00 0.00 O +ATOM 5109 HW1 SOL 1179 27.160 5.750 27.750 1.00 0.00 H +ATOM 5110 HW2 SOL 1179 26.940 5.530 29.230 1.00 0.00 H +ATOM 5111 OW SOL 1180 56.400 49.660 28.240 1.00 0.00 O +ATOM 5112 HW1 SOL 1180 56.930 49.600 27.450 1.00 0.00 H +ATOM 5113 HW2 SOL 1180 55.560 50.010 27.940 1.00 0.00 H +ATOM 5114 OW SOL 1181 7.250 58.830 12.360 1.00 0.00 O +ATOM 5115 HW1 SOL 1181 7.230 58.580 13.290 1.00 0.00 H +ATOM 5116 HW2 SOL 1181 7.000 58.030 11.900 1.00 0.00 H +ATOM 5117 OW SOL 1182 53.860 22.700 3.790 1.00 0.00 O +ATOM 5118 HW1 SOL 1182 53.300 23.370 3.390 1.00 0.00 H +ATOM 5119 HW2 SOL 1182 54.630 23.190 4.100 1.00 0.00 H +ATOM 5120 OW SOL 1183 63.160 58.360 2.810 1.00 0.00 O +ATOM 5121 HW1 SOL 1183 63.060 59.060 2.150 1.00 0.00 H +ATOM 5122 HW2 SOL 1183 63.250 58.830 3.640 1.00 0.00 H +ATOM 5123 OW SOL 1184 25.130 57.210 8.160 1.00 0.00 O +ATOM 5124 HW1 SOL 1184 24.530 57.530 8.830 1.00 0.00 H +ATOM 5125 HW2 SOL 1184 24.770 57.520 7.340 1.00 0.00 H +ATOM 5126 OW SOL 1185 24.310 33.860 4.550 1.00 0.00 O +ATOM 5127 HW1 SOL 1185 23.720 33.230 4.130 1.00 0.00 H +ATOM 5128 HW2 SOL 1185 23.810 34.680 4.560 1.00 0.00 H +ATOM 5129 OW SOL 1186 46.500 57.960 18.730 1.00 0.00 O +ATOM 5130 HW1 SOL 1186 47.100 58.700 18.800 1.00 0.00 H +ATOM 5131 HW2 SOL 1186 46.640 57.620 17.840 1.00 0.00 H +ATOM 5132 OW SOL 1187 56.730 44.500 52.300 1.00 0.00 O +ATOM 5133 HW1 SOL 1187 56.860 43.980 51.510 1.00 0.00 H +ATOM 5134 HW2 SOL 1187 56.020 45.100 52.080 1.00 0.00 H +ATOM 5135 OW SOL 1188 52.040 33.100 47.220 1.00 0.00 O +ATOM 5136 HW1 SOL 1188 52.300 33.840 46.670 1.00 0.00 H +ATOM 5137 HW2 SOL 1188 51.090 33.030 47.070 1.00 0.00 H +ATOM 5138 OW SOL 1189 45.260 40.140 49.170 1.00 0.00 O +ATOM 5139 HW1 SOL 1189 45.240 41.020 48.800 1.00 0.00 H +ATOM 5140 HW2 SOL 1189 45.570 39.580 48.460 1.00 0.00 H +ATOM 5141 OW SOL 1190 12.730 5.820 21.820 1.00 0.00 O +ATOM 5142 HW1 SOL 1190 13.070 4.960 22.060 1.00 0.00 H +ATOM 5143 HW2 SOL 1190 11.780 5.690 21.740 1.00 0.00 H +ATOM 5144 OW SOL 1191 57.930 10.350 47.330 1.00 0.00 O +ATOM 5145 HW1 SOL 1191 58.180 10.230 46.410 1.00 0.00 H +ATOM 5146 HW2 SOL 1191 57.620 9.490 47.610 1.00 0.00 H +ATOM 5147 OW SOL 1192 59.780 35.130 26.160 1.00 0.00 O +ATOM 5148 HW1 SOL 1192 59.190 34.810 25.470 1.00 0.00 H +ATOM 5149 HW2 SOL 1192 60.410 34.430 26.290 1.00 0.00 H +ATOM 5150 OW SOL 1193 23.250 59.050 48.530 1.00 0.00 O +ATOM 5151 HW1 SOL 1193 22.700 59.520 47.900 1.00 0.00 H +ATOM 5152 HW2 SOL 1193 23.800 58.490 47.990 1.00 0.00 H +ATOM 5153 OW SOL 1194 32.280 29.130 16.650 1.00 0.00 O +ATOM 5154 HW1 SOL 1194 32.760 29.370 15.850 1.00 0.00 H +ATOM 5155 HW2 SOL 1194 32.160 29.960 17.110 1.00 0.00 H +ATOM 5156 OW SOL 1195 40.450 10.320 16.400 1.00 0.00 O +ATOM 5157 HW1 SOL 1195 40.790 10.210 15.510 1.00 0.00 H +ATOM 5158 HW2 SOL 1195 41.230 10.380 16.950 1.00 0.00 H +ATOM 5159 OW SOL 1196 49.710 12.550 8.300 1.00 0.00 O +ATOM 5160 HW1 SOL 1196 49.100 12.300 7.610 1.00 0.00 H +ATOM 5161 HW2 SOL 1196 49.420 12.050 9.060 1.00 0.00 H +ATOM 5162 OW SOL 1197 13.440 16.820 23.190 1.00 0.00 O +ATOM 5163 HW1 SOL 1197 13.450 17.780 23.170 1.00 0.00 H +ATOM 5164 HW2 SOL 1197 12.730 16.570 22.600 1.00 0.00 H +ATOM 5165 OW SOL 1198 42.900 51.170 53.470 1.00 0.00 O +ATOM 5166 HW1 SOL 1198 43.490 50.880 52.770 1.00 0.00 H +ATOM 5167 HW2 SOL 1198 42.030 50.890 53.180 1.00 0.00 H +ATOM 5168 OW SOL 1199 32.630 27.080 38.550 1.00 0.00 O +ATOM 5169 HW1 SOL 1199 32.560 27.880 38.030 1.00 0.00 H +ATOM 5170 HW2 SOL 1199 31.760 26.950 38.930 1.00 0.00 H +ATOM 5171 OW SOL 1200 32.860 22.660 5.120 1.00 0.00 O +ATOM 5172 HW1 SOL 1200 32.890 23.140 5.950 1.00 0.00 H +ATOM 5173 HW2 SOL 1200 33.770 22.630 4.830 1.00 0.00 H +ATOM 5174 OW SOL 1201 31.820 39.640 41.380 1.00 0.00 O +ATOM 5175 HW1 SOL 1201 31.130 39.980 40.810 1.00 0.00 H +ATOM 5176 HW2 SOL 1201 31.350 39.160 42.060 1.00 0.00 H +ATOM 5177 OW SOL 1202 12.290 21.650 36.240 1.00 0.00 O +ATOM 5178 HW1 SOL 1202 11.850 21.390 35.430 1.00 0.00 H +ATOM 5179 HW2 SOL 1202 13.080 22.110 35.950 1.00 0.00 H +ATOM 5180 OW SOL 1203 46.740 37.680 29.360 1.00 0.00 O +ATOM 5181 HW1 SOL 1203 47.090 36.790 29.340 1.00 0.00 H +ATOM 5182 HW2 SOL 1203 47.190 38.130 28.640 1.00 0.00 H +ATOM 5183 OW SOL 1204 50.250 30.650 41.000 1.00 0.00 O +ATOM 5184 HW1 SOL 1204 51.090 31.110 41.070 1.00 0.00 H +ATOM 5185 HW2 SOL 1204 49.610 31.340 40.830 1.00 0.00 H +ATOM 5186 OW SOL 1205 31.120 19.920 47.930 1.00 0.00 O +ATOM 5187 HW1 SOL 1205 31.450 19.660 48.790 1.00 0.00 H +ATOM 5188 HW2 SOL 1205 30.340 19.370 47.800 1.00 0.00 H +ATOM 5189 OW SOL 1206 54.870 50.400 19.450 1.00 0.00 O +ATOM 5190 HW1 SOL 1206 54.390 50.700 18.680 1.00 0.00 H +ATOM 5191 HW2 SOL 1206 55.750 50.750 19.330 1.00 0.00 H +ATOM 5192 OW SOL 1207 39.920 59.180 41.560 1.00 0.00 O +ATOM 5193 HW1 SOL 1207 40.180 58.630 42.290 1.00 0.00 H +ATOM 5194 HW2 SOL 1207 40.360 58.800 40.800 1.00 0.00 H +ATOM 5195 OW SOL 1208 57.290 6.500 15.210 1.00 0.00 O +ATOM 5196 HW1 SOL 1208 57.640 6.600 14.330 1.00 0.00 H +ATOM 5197 HW2 SOL 1208 57.880 5.890 15.640 1.00 0.00 H +ATOM 5198 OW SOL 1209 52.510 55.850 5.500 1.00 0.00 O +ATOM 5199 HW1 SOL 1209 52.160 56.540 4.930 1.00 0.00 H +ATOM 5200 HW2 SOL 1209 52.820 56.320 6.280 1.00 0.00 H +ATOM 5201 OW SOL 1210 9.060 14.520 7.120 1.00 0.00 O +ATOM 5202 HW1 SOL 1210 9.730 14.770 7.760 1.00 0.00 H +ATOM 5203 HW2 SOL 1210 9.490 13.860 6.570 1.00 0.00 H +ATOM 5204 OW SOL 1211 31.500 12.610 13.330 1.00 0.00 O +ATOM 5205 HW1 SOL 1211 31.860 12.690 12.450 1.00 0.00 H +ATOM 5206 HW2 SOL 1211 30.810 13.270 13.380 1.00 0.00 H +ATOM 5207 OW SOL 1212 57.430 4.810 7.750 1.00 0.00 O +ATOM 5208 HW1 SOL 1212 58.120 5.020 8.380 1.00 0.00 H +ATOM 5209 HW2 SOL 1212 57.890 4.410 7.010 1.00 0.00 H +ATOM 5210 OW SOL 1213 52.160 28.400 42.850 1.00 0.00 O +ATOM 5211 HW1 SOL 1213 51.830 29.250 42.550 1.00 0.00 H +ATOM 5212 HW2 SOL 1213 51.420 27.800 42.740 1.00 0.00 H +ATOM 5213 OW SOL 1214 23.980 52.000 1.390 1.00 0.00 O +ATOM 5214 HW1 SOL 1214 24.750 52.320 0.920 1.00 0.00 H +ATOM 5215 HW2 SOL 1214 23.580 51.360 0.800 1.00 0.00 H +ATOM 5216 OW SOL 1215 58.020 60.950 44.190 1.00 0.00 O +ATOM 5217 HW1 SOL 1215 58.350 60.150 43.790 1.00 0.00 H +ATOM 5218 HW2 SOL 1215 58.760 61.560 44.140 1.00 0.00 H +ATOM 5219 OW SOL 1216 58.460 53.010 35.610 1.00 0.00 O +ATOM 5220 HW1 SOL 1216 58.260 52.460 34.850 1.00 0.00 H +ATOM 5221 HW2 SOL 1216 57.620 53.430 35.830 1.00 0.00 H +ATOM 5222 OW SOL 1217 46.920 0.190 31.240 1.00 0.00 O +ATOM 5223 HW1 SOL 1217 47.680 0.570 31.680 1.00 0.00 H +ATOM 5224 HW2 SOL 1217 46.910 -0.730 31.520 1.00 0.00 H +ATOM 5225 OW SOL 1218 29.970 48.540 7.800 1.00 0.00 O +ATOM 5226 HW1 SOL 1218 30.610 47.970 7.370 1.00 0.00 H +ATOM 5227 HW2 SOL 1218 29.390 47.940 8.270 1.00 0.00 H +ATOM 5228 OW SOL 1219 12.930 11.150 11.380 1.00 0.00 O +ATOM 5229 HW1 SOL 1219 12.640 11.010 12.270 1.00 0.00 H +ATOM 5230 HW2 SOL 1219 12.730 12.070 11.200 1.00 0.00 H +ATOM 5231 OW SOL 1220 11.680 43.010 7.920 1.00 0.00 O +ATOM 5232 HW1 SOL 1220 12.540 42.730 7.600 1.00 0.00 H +ATOM 5233 HW2 SOL 1220 11.060 42.590 7.330 1.00 0.00 H +ATOM 5234 OW SOL 1221 60.760 47.950 35.590 1.00 0.00 O +ATOM 5235 HW1 SOL 1221 60.100 47.740 36.250 1.00 0.00 H +ATOM 5236 HW2 SOL 1221 61.480 48.330 36.080 1.00 0.00 H +ATOM 5237 OW SOL 1222 10.330 51.330 35.130 1.00 0.00 O +ATOM 5238 HW1 SOL 1222 11.170 51.700 34.850 1.00 0.00 H +ATOM 5239 HW2 SOL 1222 10.340 51.400 36.090 1.00 0.00 H +ATOM 5240 OW SOL 1223 11.530 44.610 31.570 1.00 0.00 O +ATOM 5241 HW1 SOL 1223 12.020 43.800 31.450 1.00 0.00 H +ATOM 5242 HW2 SOL 1223 11.160 44.550 32.450 1.00 0.00 H +ATOM 5243 OW SOL 1224 15.010 6.180 38.330 1.00 0.00 O +ATOM 5244 HW1 SOL 1224 15.810 5.660 38.260 1.00 0.00 H +ATOM 5245 HW2 SOL 1224 14.620 6.140 37.460 1.00 0.00 H +ATOM 5246 OW SOL 1225 54.220 58.640 29.120 1.00 0.00 O +ATOM 5247 HW1 SOL 1225 53.640 57.890 29.240 1.00 0.00 H +ATOM 5248 HW2 SOL 1225 54.920 58.510 29.760 1.00 0.00 H +ATOM 5249 OW SOL 1226 19.300 23.270 49.410 1.00 0.00 O +ATOM 5250 HW1 SOL 1226 19.960 22.830 49.940 1.00 0.00 H +ATOM 5251 HW2 SOL 1226 19.320 22.800 48.570 1.00 0.00 H +ATOM 5252 OW SOL 1227 1.010 1.210 8.030 1.00 0.00 O +ATOM 5253 HW1 SOL 1227 1.790 1.670 8.330 1.00 0.00 H +ATOM 5254 HW2 SOL 1227 1.000 0.410 8.550 1.00 0.00 H +ATOM 5255 OW SOL 1228 12.750 42.780 26.820 1.00 0.00 O +ATOM 5256 HW1 SOL 1228 12.460 42.710 27.730 1.00 0.00 H +ATOM 5257 HW2 SOL 1228 11.990 42.530 26.300 1.00 0.00 H +ATOM 5258 OW SOL 1229 12.100 36.500 13.370 1.00 0.00 O +ATOM 5259 HW1 SOL 1229 11.190 36.230 13.500 1.00 0.00 H +ATOM 5260 HW2 SOL 1229 12.510 35.760 12.920 1.00 0.00 H +ATOM 5261 OW SOL 1230 39.260 26.890 17.560 1.00 0.00 O +ATOM 5262 HW1 SOL 1230 38.730 26.550 18.280 1.00 0.00 H +ATOM 5263 HW2 SOL 1230 39.080 26.310 16.830 1.00 0.00 H +ATOM 5264 OW SOL 1231 39.980 7.600 53.420 1.00 0.00 O +ATOM 5265 HW1 SOL 1231 39.270 7.520 52.780 1.00 0.00 H +ATOM 5266 HW2 SOL 1231 39.970 8.520 53.680 1.00 0.00 H +ATOM 5267 OW SOL 1232 47.450 2.230 47.680 1.00 0.00 O +ATOM 5268 HW1 SOL 1232 47.250 2.890 48.340 1.00 0.00 H +ATOM 5269 HW2 SOL 1232 47.830 1.500 48.170 1.00 0.00 H +ATOM 5270 OW SOL 1233 20.606 35.223 53.325 1.00 0.00 O +ATOM 5271 HW1 SOL 1233 21.426 34.763 53.485 1.00 0.00 H +ATOM 5272 HW2 SOL 1233 20.126 35.143 54.145 1.00 0.00 H +ATOM 5273 OW SOL 1234 32.370 25.570 36.000 1.00 0.00 O +ATOM 5274 HW1 SOL 1234 32.230 24.830 36.590 1.00 0.00 H +ATOM 5275 HW2 SOL 1234 31.740 26.230 36.290 1.00 0.00 H +ATOM 5276 OW SOL 1235 54.040 26.070 47.790 1.00 0.00 O +ATOM 5277 HW1 SOL 1235 54.080 25.140 47.550 1.00 0.00 H +ATOM 5278 HW2 SOL 1235 53.230 26.380 47.400 1.00 0.00 H +ATOM 5279 OW SOL 1236 12.400 0.510 53.060 1.00 0.00 O +ATOM 5280 HW1 SOL 1236 11.860 0.590 53.850 1.00 0.00 H +ATOM 5281 HW2 SOL 1236 11.830 0.760 52.340 1.00 0.00 H +ATOM 5282 OW SOL 1237 13.560 52.710 27.220 1.00 0.00 O +ATOM 5283 HW1 SOL 1237 14.420 52.410 27.490 1.00 0.00 H +ATOM 5284 HW2 SOL 1237 13.260 52.070 26.580 1.00 0.00 H +ATOM 5285 OW SOL 1238 0.910 35.800 30.670 1.00 0.00 O +ATOM 5286 HW1 SOL 1238 1.500 35.050 30.770 1.00 0.00 H +ATOM 5287 HW2 SOL 1238 0.660 35.780 29.740 1.00 0.00 H +ATOM 5288 OW SOL 1239 50.380 6.420 40.780 1.00 0.00 O +ATOM 5289 HW1 SOL 1239 50.200 7.170 41.350 1.00 0.00 H +ATOM 5290 HW2 SOL 1239 49.520 6.050 40.590 1.00 0.00 H +ATOM 5291 OW SOL 1240 35.970 2.920 40.360 1.00 0.00 O +ATOM 5292 HW1 SOL 1240 36.500 3.430 39.750 1.00 0.00 H +ATOM 5293 HW2 SOL 1240 35.280 3.510 40.630 1.00 0.00 H +ATOM 5294 OW SOL 1241 11.470 15.760 46.720 1.00 0.00 O +ATOM 5295 HW1 SOL 1241 11.360 14.920 46.270 1.00 0.00 H +ATOM 5296 HW2 SOL 1241 10.630 15.910 47.160 1.00 0.00 H +ATOM 5297 OW SOL 1242 43.160 52.510 15.720 1.00 0.00 O +ATOM 5298 HW1 SOL 1242 42.980 53.330 16.160 1.00 0.00 H +ATOM 5299 HW2 SOL 1242 43.720 52.030 16.320 1.00 0.00 H +ATOM 5300 OW SOL 1243 59.300 3.430 33.780 1.00 0.00 O +ATOM 5301 HW1 SOL 1243 58.520 3.990 33.690 1.00 0.00 H +ATOM 5302 HW2 SOL 1243 59.750 3.780 34.550 1.00 0.00 H +ATOM 5303 OW SOL 1244 57.140 58.350 5.600 1.00 0.00 O +ATOM 5304 HW1 SOL 1244 56.400 58.550 5.020 1.00 0.00 H +ATOM 5305 HW2 SOL 1244 57.400 57.460 5.360 1.00 0.00 H +ATOM 5306 OW SOL 1245 14.680 46.090 9.600 1.00 0.00 O +ATOM 5307 HW1 SOL 1245 15.620 46.250 9.670 1.00 0.00 H +ATOM 5308 HW2 SOL 1245 14.300 46.500 10.370 1.00 0.00 H +ATOM 5309 OW SOL 1246 37.570 8.780 43.430 1.00 0.00 O +ATOM 5310 HW1 SOL 1246 36.780 9.050 42.960 1.00 0.00 H +ATOM 5311 HW2 SOL 1246 37.270 8.580 44.320 1.00 0.00 H +ATOM 5312 OW SOL 1247 27.540 43.930 6.840 1.00 0.00 O +ATOM 5313 HW1 SOL 1247 28.180 43.600 7.470 1.00 0.00 H +ATOM 5314 HW2 SOL 1247 26.940 44.460 7.370 1.00 0.00 H +ATOM 5315 OW SOL 1248 29.790 24.390 42.290 1.00 0.00 O +ATOM 5316 HW1 SOL 1248 29.930 25.010 43.000 1.00 0.00 H +ATOM 5317 HW2 SOL 1248 29.830 24.930 41.500 1.00 0.00 H +ATOM 5318 OW SOL 1249 18.050 22.420 31.620 1.00 0.00 O +ATOM 5319 HW1 SOL 1249 17.370 23.010 31.940 1.00 0.00 H +ATOM 5320 HW2 SOL 1249 18.780 22.540 32.230 1.00 0.00 H +ATOM 5321 OW SOL 1250 15.950 28.840 15.470 1.00 0.00 O +ATOM 5322 HW1 SOL 1250 16.510 29.620 15.500 1.00 0.00 H +ATOM 5323 HW2 SOL 1250 15.410 28.970 14.690 1.00 0.00 H +ATOM 5324 OW SOL 1251 21.410 35.270 34.940 1.00 0.00 O +ATOM 5325 HW1 SOL 1251 21.690 34.860 35.760 1.00 0.00 H +ATOM 5326 HW2 SOL 1251 20.810 34.640 34.550 1.00 0.00 H +ATOM 5327 OW SOL 1252 50.780 5.010 18.930 1.00 0.00 O +ATOM 5328 HW1 SOL 1252 51.720 4.910 18.770 1.00 0.00 H +ATOM 5329 HW2 SOL 1252 50.720 5.740 19.540 1.00 0.00 H +ATOM 5330 OW SOL 1253 1.840 41.250 26.890 1.00 0.00 O +ATOM 5331 HW1 SOL 1253 2.770 41.200 26.700 1.00 0.00 H +ATOM 5332 HW2 SOL 1253 1.520 41.970 26.340 1.00 0.00 H +ATOM 5333 OW SOL 1254 28.700 37.850 10.800 1.00 0.00 O +ATOM 5334 HW1 SOL 1254 28.330 37.890 9.910 1.00 0.00 H +ATOM 5335 HW2 SOL 1254 28.660 36.920 11.020 1.00 0.00 H +ATOM 5336 OW SOL 1255 44.540 47.760 1.130 1.00 0.00 O +ATOM 5337 HW1 SOL 1255 44.380 48.410 0.450 1.00 0.00 H +ATOM 5338 HW2 SOL 1255 45.000 47.050 0.680 1.00 0.00 H +ATOM 5339 OW SOL 1256 16.790 37.710 4.690 1.00 0.00 O +ATOM 5340 HW1 SOL 1256 16.040 37.540 4.120 1.00 0.00 H +ATOM 5341 HW2 SOL 1256 17.520 37.850 4.090 1.00 0.00 H +ATOM 5342 OW SOL 1257 42.750 23.770 14.500 1.00 0.00 O +ATOM 5343 HW1 SOL 1257 42.740 22.810 14.550 1.00 0.00 H +ATOM 5344 HW2 SOL 1257 42.330 24.060 15.310 1.00 0.00 H +ATOM 5345 OW SOL 1258 35.420 1.820 43.400 1.00 0.00 O +ATOM 5346 HW1 SOL 1258 35.830 0.950 43.440 1.00 0.00 H +ATOM 5347 HW2 SOL 1258 35.530 2.090 42.480 1.00 0.00 H +ATOM 5348 OW SOL 1259 59.130 33.270 42.930 1.00 0.00 O +ATOM 5349 HW1 SOL 1259 58.580 32.490 42.820 1.00 0.00 H +ATOM 5350 HW2 SOL 1259 60.020 32.930 42.980 1.00 0.00 H +ATOM 5351 OW SOL 1260 10.240 48.650 2.450 1.00 0.00 O +ATOM 5352 HW1 SOL 1260 9.310 48.510 2.320 1.00 0.00 H +ATOM 5353 HW2 SOL 1260 10.310 49.530 2.800 1.00 0.00 H +ATOM 5354 OW SOL 1261 16.050 1.200 47.510 1.00 0.00 O +ATOM 5355 HW1 SOL 1261 15.530 0.450 47.230 1.00 0.00 H +ATOM 5356 HW2 SOL 1261 16.530 0.880 48.280 1.00 0.00 H +ATOM 5357 OW SOL 1262 39.550 2.510 53.090 1.00 0.00 O +ATOM 5358 HW1 SOL 1262 38.750 2.020 52.920 1.00 0.00 H +ATOM 5359 HW2 SOL 1262 40.200 2.140 52.480 1.00 0.00 H +ATOM 5360 OW SOL 1263 55.250 37.330 41.120 1.00 0.00 O +ATOM 5361 HW1 SOL 1263 56.190 37.330 41.260 1.00 0.00 H +ATOM 5362 HW2 SOL 1263 54.970 38.200 41.420 1.00 0.00 H +ATOM 5363 OW SOL 1264 22.020 13.720 41.880 1.00 0.00 O +ATOM 5364 HW1 SOL 1264 22.840 13.780 41.390 1.00 0.00 H +ATOM 5365 HW2 SOL 1264 22.250 13.240 42.670 1.00 0.00 H +ATOM 5366 OW SOL 1265 48.750 39.350 49.670 1.00 0.00 O +ATOM 5367 HW1 SOL 1265 49.580 38.860 49.640 1.00 0.00 H +ATOM 5368 HW2 SOL 1265 49.000 40.250 49.460 1.00 0.00 H +ATOM 5369 OW SOL 1266 44.300 46.390 19.950 1.00 0.00 O +ATOM 5370 HW1 SOL 1266 44.760 46.780 20.690 1.00 0.00 H +ATOM 5371 HW2 SOL 1266 43.380 46.640 20.080 1.00 0.00 H +ATOM 5372 OW SOL 1267 7.280 29.470 6.240 1.00 0.00 O +ATOM 5373 HW1 SOL 1267 7.850 30.170 5.930 1.00 0.00 H +ATOM 5374 HW2 SOL 1267 7.720 28.670 5.950 1.00 0.00 H +ATOM 5375 OW SOL 1268 59.670 13.770 19.260 1.00 0.00 O +ATOM 5376 HW1 SOL 1268 58.810 13.660 19.660 1.00 0.00 H +ATOM 5377 HW2 SOL 1268 59.530 13.630 18.330 1.00 0.00 H +ATOM 5378 OW SOL 1269 28.540 8.570 28.260 1.00 0.00 O +ATOM 5379 HW1 SOL 1269 28.100 9.200 27.680 1.00 0.00 H +ATOM 5380 HW2 SOL 1269 27.960 7.810 28.270 1.00 0.00 H +ATOM 5381 OW SOL 1270 8.350 22.100 40.050 1.00 0.00 O +ATOM 5382 HW1 SOL 1270 9.290 21.960 39.920 1.00 0.00 H +ATOM 5383 HW2 SOL 1270 8.030 21.250 40.360 1.00 0.00 H +ATOM 5384 OW SOL 1271 62.600 7.990 31.130 1.00 0.00 O +ATOM 5385 HW1 SOL 1271 62.090 7.710 30.370 1.00 0.00 H +ATOM 5386 HW2 SOL 1271 62.590 8.940 31.090 1.00 0.00 H +ATOM 5387 OW SOL 1272 36.200 25.710 31.630 1.00 0.00 O +ATOM 5388 HW1 SOL 1272 35.290 25.640 31.360 1.00 0.00 H +ATOM 5389 HW2 SOL 1272 36.680 25.830 30.810 1.00 0.00 H +ATOM 5390 OW SOL 1273 21.220 3.430 43.610 1.00 0.00 O +ATOM 5391 HW1 SOL 1273 21.900 3.820 44.160 1.00 0.00 H +ATOM 5392 HW2 SOL 1273 21.560 3.540 42.720 1.00 0.00 H +ATOM 5393 OW SOL 1274 54.620 30.050 53.070 1.00 0.00 O +ATOM 5394 HW1 SOL 1274 53.950 29.400 52.840 1.00 0.00 H +ATOM 5395 HW2 SOL 1274 54.350 30.840 52.590 1.00 0.00 H +ATOM 5396 OW SOL 1275 42.340 37.030 46.720 1.00 0.00 O +ATOM 5397 HW1 SOL 1275 41.780 37.330 47.440 1.00 0.00 H +ATOM 5398 HW2 SOL 1275 41.790 37.100 45.940 1.00 0.00 H +ATOM 5399 OW SOL 1276 2.420 41.760 11.700 1.00 0.00 O +ATOM 5400 HW1 SOL 1276 1.630 41.550 12.190 1.00 0.00 H +ATOM 5401 HW2 SOL 1276 2.120 42.310 10.980 1.00 0.00 H +ATOM 5402 OW SOL 1277 36.740 22.930 30.010 1.00 0.00 O +ATOM 5403 HW1 SOL 1277 37.210 23.660 29.610 1.00 0.00 H +ATOM 5404 HW2 SOL 1277 37.080 22.150 29.580 1.00 0.00 H +ATOM 5405 OW SOL 1278 60.840 40.710 36.180 1.00 0.00 O +ATOM 5406 HW1 SOL 1278 61.510 40.340 35.610 1.00 0.00 H +ATOM 5407 HW2 SOL 1278 60.630 41.550 35.790 1.00 0.00 H +ATOM 5408 OW SOL 1279 38.780 19.650 13.650 1.00 0.00 O +ATOM 5409 HW1 SOL 1279 38.270 20.360 13.270 1.00 0.00 H +ATOM 5410 HW2 SOL 1279 38.140 18.950 13.800 1.00 0.00 H +ATOM 5411 OW SOL 1280 7.190 59.510 27.330 1.00 0.00 O +ATOM 5412 HW1 SOL 1280 6.350 59.890 27.060 1.00 0.00 H +ATOM 5413 HW2 SOL 1280 7.840 60.190 27.140 1.00 0.00 H +ATOM 5414 OW SOL 1281 5.050 38.120 44.850 1.00 0.00 O +ATOM 5415 HW1 SOL 1281 4.190 37.890 45.190 1.00 0.00 H +ATOM 5416 HW2 SOL 1281 5.030 37.850 43.930 1.00 0.00 H +ATOM 5417 OW SOL 1282 25.420 4.310 12.450 1.00 0.00 O +ATOM 5418 HW1 SOL 1282 24.460 4.320 12.370 1.00 0.00 H +ATOM 5419 HW2 SOL 1282 25.710 3.840 11.670 1.00 0.00 H +ATOM 5420 OW SOL 1283 29.280 5.170 50.260 1.00 0.00 O +ATOM 5421 HW1 SOL 1283 29.780 5.620 49.580 1.00 0.00 H +ATOM 5422 HW2 SOL 1283 28.630 5.820 50.550 1.00 0.00 H +ATOM 5423 OW SOL 1284 19.310 55.390 53.610 1.00 0.00 O +ATOM 5424 HW1 SOL 1284 19.680 54.510 53.650 1.00 0.00 H +ATOM 5425 HW2 SOL 1284 18.540 55.300 53.040 1.00 0.00 H +ATOM 5426 OW SOL 1285 11.870 45.770 26.380 1.00 0.00 O +ATOM 5427 HW1 SOL 1285 12.550 45.130 26.620 1.00 0.00 H +ATOM 5428 HW2 SOL 1285 12.110 46.560 26.860 1.00 0.00 H +ATOM 5429 OW SOL 1286 9.880 25.510 26.960 1.00 0.00 O +ATOM 5430 HW1 SOL 1286 9.070 25.870 26.600 1.00 0.00 H +ATOM 5431 HW2 SOL 1286 10.550 26.160 26.740 1.00 0.00 H +ATOM 5432 OW SOL 1287 56.680 10.520 26.750 1.00 0.00 O +ATOM 5433 HW1 SOL 1287 55.730 10.450 26.830 1.00 0.00 H +ATOM 5434 HW2 SOL 1287 57.020 9.710 27.120 1.00 0.00 H +ATOM 5435 OW SOL 1288 65.220 25.900 19.800 1.00 0.00 O +ATOM 5436 HW1 SOL 1288 65.990 26.200 19.320 1.00 0.00 H +ATOM 5437 HW2 SOL 1288 64.500 25.980 19.180 1.00 0.00 H +ATOM 5438 OW SOL 1289 62.110 20.920 15.010 1.00 0.00 O +ATOM 5439 HW1 SOL 1289 61.570 21.700 15.110 1.00 0.00 H +ATOM 5440 HW2 SOL 1289 61.510 20.240 14.700 1.00 0.00 H +ATOM 5441 OW SOL 1290 35.230 44.670 9.700 1.00 0.00 O +ATOM 5442 HW1 SOL 1290 35.430 45.550 10.020 1.00 0.00 H +ATOM 5443 HW2 SOL 1290 35.510 44.680 8.790 1.00 0.00 H +ATOM 5444 OW SOL 1291 54.030 3.310 51.690 1.00 0.00 O +ATOM 5445 HW1 SOL 1291 54.000 4.190 51.310 1.00 0.00 H +ATOM 5446 HW2 SOL 1291 54.900 2.980 51.460 1.00 0.00 H +ATOM 5447 OW SOL 1292 7.300 30.030 21.220 1.00 0.00 O +ATOM 5448 HW1 SOL 1292 6.440 29.890 20.820 1.00 0.00 H +ATOM 5449 HW2 SOL 1292 7.300 30.960 21.450 1.00 0.00 H +ATOM 5450 OW SOL 1293 44.980 44.160 0.840 1.00 0.00 O +ATOM 5451 HW1 SOL 1293 44.310 43.490 0.980 1.00 0.00 H +ATOM 5452 HW2 SOL 1293 45.810 43.720 1.060 1.00 0.00 H +ATOM 5453 OW SOL 1294 47.530 39.820 12.190 1.00 0.00 O +ATOM 5454 HW1 SOL 1294 46.990 39.370 12.840 1.00 0.00 H +ATOM 5455 HW2 SOL 1294 46.930 40.450 11.790 1.00 0.00 H +ATOM 5456 OW SOL 1295 40.050 24.990 41.440 1.00 0.00 O +ATOM 5457 HW1 SOL 1295 40.020 25.940 41.400 1.00 0.00 H +ATOM 5458 HW2 SOL 1295 39.140 24.710 41.310 1.00 0.00 H +ATOM 5459 OW SOL 1296 11.360 28.090 35.850 1.00 0.00 O +ATOM 5460 HW1 SOL 1296 11.250 28.980 35.530 1.00 0.00 H +ATOM 5461 HW2 SOL 1296 11.970 27.680 35.240 1.00 0.00 H +ATOM 5462 OW SOL 1297 43.860 42.200 39.300 1.00 0.00 O +ATOM 5463 HW1 SOL 1297 43.860 42.520 40.200 1.00 0.00 H +ATOM 5464 HW2 SOL 1297 42.980 42.360 38.980 1.00 0.00 H +ATOM 5465 OW SOL 1298 29.700 16.370 49.740 1.00 0.00 O +ATOM 5466 HW1 SOL 1298 30.040 17.120 50.220 1.00 0.00 H +ATOM 5467 HW2 SOL 1298 28.820 16.240 50.100 1.00 0.00 H +ATOM 5468 OW SOL 1299 31.330 10.210 14.870 1.00 0.00 O +ATOM 5469 HW1 SOL 1299 31.580 11.030 14.450 1.00 0.00 H +ATOM 5470 HW2 SOL 1299 32.030 9.600 14.670 1.00 0.00 H +ATOM 5471 OW SOL 1300 1.270 53.380 14.570 1.00 0.00 O +ATOM 5472 HW1 SOL 1300 0.850 53.300 15.420 1.00 0.00 H +ATOM 5473 HW2 SOL 1300 2.200 53.250 14.750 1.00 0.00 H +ATOM 5474 OW SOL 1301 5.430 31.210 10.960 1.00 0.00 O +ATOM 5475 HW1 SOL 1301 4.500 31.400 10.820 1.00 0.00 H +ATOM 5476 HW2 SOL 1301 5.500 30.270 10.800 1.00 0.00 H +ATOM 5477 OW SOL 1302 30.880 28.130 46.330 1.00 0.00 O +ATOM 5478 HW1 SOL 1302 30.620 28.010 47.240 1.00 0.00 H +ATOM 5479 HW2 SOL 1302 30.340 28.860 46.030 1.00 0.00 H +ATOM 5480 OW SOL 1303 5.170 44.350 29.740 1.00 0.00 O +ATOM 5481 HW1 SOL 1303 6.050 44.640 29.990 1.00 0.00 H +ATOM 5482 HW2 SOL 1303 5.030 44.730 28.870 1.00 0.00 H +ATOM 5483 OW SOL 1304 37.470 11.300 20.830 1.00 0.00 O +ATOM 5484 HW1 SOL 1304 37.180 10.500 21.270 1.00 0.00 H +ATOM 5485 HW2 SOL 1304 38.250 11.560 21.320 1.00 0.00 H +ATOM 5486 OW SOL 1305 24.800 11.890 15.310 1.00 0.00 O +ATOM 5487 HW1 SOL 1305 23.950 11.650 14.930 1.00 0.00 H +ATOM 5488 HW2 SOL 1305 25.430 11.740 14.590 1.00 0.00 H +ATOM 5489 OW SOL 1306 42.220 43.830 52.660 1.00 0.00 O +ATOM 5490 HW1 SOL 1306 42.610 44.670 52.420 1.00 0.00 H +ATOM 5491 HW2 SOL 1306 41.980 43.440 51.820 1.00 0.00 H +ATOM 5492 OW SOL 1307 32.520 8.400 9.100 1.00 0.00 O +ATOM 5493 HW1 SOL 1307 31.700 7.940 9.280 1.00 0.00 H +ATOM 5494 HW2 SOL 1307 32.260 9.300 8.910 1.00 0.00 H +ATOM 5495 OW SOL 1308 27.490 27.470 8.540 1.00 0.00 O +ATOM 5496 HW1 SOL 1308 27.330 26.730 9.120 1.00 0.00 H +ATOM 5497 HW2 SOL 1308 27.530 27.090 7.660 1.00 0.00 H +ATOM 5498 OW SOL 1309 2.470 10.140 12.850 1.00 0.00 O +ATOM 5499 HW1 SOL 1309 2.340 9.590 13.630 1.00 0.00 H +ATOM 5500 HW2 SOL 1309 3.010 10.870 13.160 1.00 0.00 H +ATOM 5501 OW SOL 1310 1.690 4.780 52.960 1.00 0.00 O +ATOM 5502 HW1 SOL 1310 2.370 4.500 53.570 1.00 0.00 H +ATOM 5503 HW2 SOL 1310 2.130 5.380 52.360 1.00 0.00 H +ATOM 5504 OW SOL 1311 21.800 1.160 26.970 1.00 0.00 O +ATOM 5505 HW1 SOL 1311 20.990 1.650 27.080 1.00 0.00 H +ATOM 5506 HW2 SOL 1311 21.550 0.250 27.110 1.00 0.00 H +ATOM 5507 OW SOL 1312 19.450 17.750 22.660 1.00 0.00 O +ATOM 5508 HW1 SOL 1312 20.260 17.430 23.070 1.00 0.00 H +ATOM 5509 HW2 SOL 1312 19.430 18.680 22.860 1.00 0.00 H +ATOM 5510 OW SOL 1313 31.210 26.470 5.220 1.00 0.00 O +ATOM 5511 HW1 SOL 1313 30.640 26.260 4.490 1.00 0.00 H +ATOM 5512 HW2 SOL 1313 31.980 26.880 4.820 1.00 0.00 H +ATOM 5513 OW SOL 1314 15.770 23.790 28.820 1.00 0.00 O +ATOM 5514 HW1 SOL 1314 15.320 24.420 28.270 1.00 0.00 H +ATOM 5515 HW2 SOL 1314 15.070 23.220 29.160 1.00 0.00 H +ATOM 5516 OW SOL 1315 24.290 29.310 33.200 1.00 0.00 O +ATOM 5517 HW1 SOL 1315 24.450 28.510 32.710 1.00 0.00 H +ATOM 5518 HW2 SOL 1315 24.120 29.010 34.100 1.00 0.00 H +ATOM 5519 OW SOL 1316 21.270 25.320 30.090 1.00 0.00 O +ATOM 5520 HW1 SOL 1316 21.620 25.190 29.200 1.00 0.00 H +ATOM 5521 HW2 SOL 1316 22.040 25.240 30.660 1.00 0.00 H +ATOM 5522 OW SOL 1317 28.180 28.940 11.480 1.00 0.00 O +ATOM 5523 HW1 SOL 1317 29.070 28.970 11.120 1.00 0.00 H +ATOM 5524 HW2 SOL 1317 28.310 28.760 12.420 1.00 0.00 H +ATOM 5525 OW SOL 1318 3.970 29.460 23.950 1.00 0.00 O +ATOM 5526 HW1 SOL 1318 4.160 30.390 24.020 1.00 0.00 H +ATOM 5527 HW2 SOL 1318 3.210 29.410 23.380 1.00 0.00 H +ATOM 5528 OW SOL 1319 26.050 60.750 48.490 1.00 0.00 O +ATOM 5529 HW1 SOL 1319 25.800 59.860 48.760 1.00 0.00 H +ATOM 5530 HW2 SOL 1319 25.590 60.880 47.650 1.00 0.00 H +ATOM 5531 OW SOL 1320 51.840 10.400 34.030 1.00 0.00 O +ATOM 5532 HW1 SOL 1320 50.950 10.430 34.390 1.00 0.00 H +ATOM 5533 HW2 SOL 1320 52.190 11.270 34.200 1.00 0.00 H +ATOM 5534 OW SOL 1321 27.540 6.760 1.100 1.00 0.00 O +ATOM 5535 HW1 SOL 1321 28.390 7.180 1.240 1.00 0.00 H +ATOM 5536 HW2 SOL 1321 27.640 6.270 0.280 1.00 0.00 H +ATOM 5537 OW SOL 1322 52.710 38.850 23.000 1.00 0.00 O +ATOM 5538 HW1 SOL 1322 53.530 39.270 23.250 1.00 0.00 H +ATOM 5539 HW2 SOL 1322 52.700 38.030 23.500 1.00 0.00 H +ATOM 5540 OW SOL 1323 29.990 57.940 5.140 1.00 0.00 O +ATOM 5541 HW1 SOL 1323 29.650 57.050 5.250 1.00 0.00 H +ATOM 5542 HW2 SOL 1323 29.220 58.470 4.950 1.00 0.00 H +ATOM 5543 OW SOL 1324 62.070 33.360 26.610 1.00 0.00 O +ATOM 5544 HW1 SOL 1324 62.890 32.990 26.950 1.00 0.00 H +ATOM 5545 HW2 SOL 1324 61.400 32.730 26.890 1.00 0.00 H +ATOM 5546 OW SOL 1325 22.820 7.470 52.880 1.00 0.00 O +ATOM 5547 HW1 SOL 1325 23.220 6.790 52.330 1.00 0.00 H +ATOM 5548 HW2 SOL 1325 23.570 7.940 53.250 1.00 0.00 H +ATOM 5549 OW SOL 1326 28.180 11.270 47.430 1.00 0.00 O +ATOM 5550 HW1 SOL 1326 29.110 11.370 47.270 1.00 0.00 H +ATOM 5551 HW2 SOL 1326 27.920 12.090 47.860 1.00 0.00 H +ATOM 5552 OW SOL 1327 24.490 24.260 11.310 1.00 0.00 O +ATOM 5553 HW1 SOL 1327 24.380 24.810 12.090 1.00 0.00 H +ATOM 5554 HW2 SOL 1327 24.690 23.390 11.660 1.00 0.00 H +ATOM 5555 OW SOL 1328 57.590 7.470 40.140 1.00 0.00 O +ATOM 5556 HW1 SOL 1328 56.940 8.010 39.700 1.00 0.00 H +ATOM 5557 HW2 SOL 1328 58.430 7.790 39.800 1.00 0.00 H +ATOM 5558 OW SOL 1329 2.490 8.750 46.930 1.00 0.00 O +ATOM 5559 HW1 SOL 1329 2.410 8.950 47.860 1.00 0.00 H +ATOM 5560 HW2 SOL 1329 1.770 9.230 46.510 1.00 0.00 H +ATOM 5561 OW SOL 1330 64.190 2.930 19.560 1.00 0.00 O +ATOM 5562 HW1 SOL 1330 65.040 3.340 19.710 1.00 0.00 H +ATOM 5563 HW2 SOL 1330 64.320 2.390 18.770 1.00 0.00 H +ATOM 5564 OW SOL 1331 50.910 40.890 39.460 1.00 0.00 O +ATOM 5565 HW1 SOL 1331 51.070 39.950 39.360 1.00 0.00 H +ATOM 5566 HW2 SOL 1331 51.500 41.310 38.840 1.00 0.00 H +ATOM 5567 OW SOL 1332 45.590 17.440 34.560 1.00 0.00 O +ATOM 5568 HW1 SOL 1332 45.330 18.330 34.320 1.00 0.00 H +ATOM 5569 HW2 SOL 1332 45.300 17.340 35.470 1.00 0.00 H +ATOM 5570 OW SOL 1333 9.780 46.520 38.990 1.00 0.00 O +ATOM 5571 HW1 SOL 1333 9.460 45.820 39.560 1.00 0.00 H +ATOM 5572 HW2 SOL 1333 9.590 46.200 38.100 1.00 0.00 H +ATOM 5573 OW SOL 1334 6.520 44.590 38.220 1.00 0.00 O +ATOM 5574 HW1 SOL 1334 6.070 44.450 39.050 1.00 0.00 H +ATOM 5575 HW2 SOL 1334 6.390 45.520 38.030 1.00 0.00 H +ATOM 5576 OW SOL 1335 20.490 4.860 32.300 1.00 0.00 O +ATOM 5577 HW1 SOL 1335 21.090 5.450 31.840 1.00 0.00 H +ATOM 5578 HW2 SOL 1335 19.840 4.630 31.640 1.00 0.00 H +ATOM 5579 OW SOL 1336 0.970 32.250 12.210 1.00 0.00 O +ATOM 5580 HW1 SOL 1336 1.510 31.590 11.770 1.00 0.00 H +ATOM 5581 HW2 SOL 1336 0.370 32.560 11.530 1.00 0.00 H +ATOM 5582 OW SOL 1337 16.830 12.840 3.370 1.00 0.00 O +ATOM 5583 HW1 SOL 1337 16.990 13.780 3.290 1.00 0.00 H +ATOM 5584 HW2 SOL 1337 17.620 12.430 3.030 1.00 0.00 H +ATOM 5585 OW SOL 1338 58.370 58.660 49.740 1.00 0.00 O +ATOM 5586 HW1 SOL 1338 57.970 58.400 48.910 1.00 0.00 H +ATOM 5587 HW2 SOL 1338 57.680 58.520 50.390 1.00 0.00 H +ATOM 5588 OW SOL 1339 48.250 48.020 47.530 1.00 0.00 O +ATOM 5589 HW1 SOL 1339 47.890 47.260 47.980 1.00 0.00 H +ATOM 5590 HW2 SOL 1339 47.550 48.290 46.930 1.00 0.00 H +ATOM 5591 OW SOL 1340 52.490 24.840 26.670 1.00 0.00 O +ATOM 5592 HW1 SOL 1340 52.500 25.680 26.210 1.00 0.00 H +ATOM 5593 HW2 SOL 1340 52.180 24.210 26.010 1.00 0.00 H +ATOM 5594 OW SOL 1341 38.970 6.210 46.870 1.00 0.00 O +ATOM 5595 HW1 SOL 1341 38.720 5.870 47.730 1.00 0.00 H +ATOM 5596 HW2 SOL 1341 38.130 6.330 46.410 1.00 0.00 H +ATOM 5597 OW SOL 1342 14.170 42.010 34.390 1.00 0.00 O +ATOM 5598 HW1 SOL 1342 14.750 41.550 35.010 1.00 0.00 H +ATOM 5599 HW2 SOL 1342 13.880 41.330 33.790 1.00 0.00 H +ATOM 5600 OW SOL 1343 27.460 16.910 9.570 1.00 0.00 O +ATOM 5601 HW1 SOL 1343 28.400 16.990 9.730 1.00 0.00 H +ATOM 5602 HW2 SOL 1343 27.060 17.050 10.430 1.00 0.00 H +ATOM 5603 OW SOL 1344 29.900 18.200 31.570 1.00 0.00 O +ATOM 5604 HW1 SOL 1344 30.710 18.380 32.050 1.00 0.00 H +ATOM 5605 HW2 SOL 1344 29.970 18.760 30.790 1.00 0.00 H +ATOM 5606 OW SOL 1345 3.650 50.340 22.850 1.00 0.00 O +ATOM 5607 HW1 SOL 1345 2.880 50.060 23.340 1.00 0.00 H +ATOM 5608 HW2 SOL 1345 4.010 51.070 23.370 1.00 0.00 H +ATOM 5609 OW SOL 1346 62.470 18.290 16.220 1.00 0.00 O +ATOM 5610 HW1 SOL 1346 62.910 17.900 16.970 1.00 0.00 H +ATOM 5611 HW2 SOL 1346 62.560 19.240 16.360 1.00 0.00 H +ATOM 5612 OW SOL 1347 65.260 58.780 -0.010 1.00 0.00 O +ATOM 5613 HW1 SOL 1347 65.330 58.920 0.930 1.00 0.00 H +ATOM 5614 HW2 SOL 1347 64.550 58.140 -0.100 1.00 0.00 H +ATOM 5615 OW SOL 1348 63.880 1.950 33.920 1.00 0.00 O +ATOM 5616 HW1 SOL 1348 63.100 2.050 33.370 1.00 0.00 H +ATOM 5617 HW2 SOL 1348 64.330 2.790 33.850 1.00 0.00 H +ATOM 5618 OW SOL 1349 28.330 36.500 39.100 1.00 0.00 O +ATOM 5619 HW1 SOL 1349 28.400 37.100 38.360 1.00 0.00 H +ATOM 5620 HW2 SOL 1349 28.090 35.660 38.700 1.00 0.00 H +ATOM 5621 OW SOL 1350 38.670 49.420 44.770 1.00 0.00 O +ATOM 5622 HW1 SOL 1350 37.920 48.840 44.910 1.00 0.00 H +ATOM 5623 HW2 SOL 1350 39.420 48.830 44.750 1.00 0.00 H +ATOM 5624 OW SOL 1351 12.380 59.120 43.880 1.00 0.00 O +ATOM 5625 HW1 SOL 1351 11.970 58.680 43.130 1.00 0.00 H +ATOM 5626 HW2 SOL 1351 12.530 58.430 44.520 1.00 0.00 H +ATOM 5627 OW SOL 1352 23.270 1.980 51.230 1.00 0.00 O +ATOM 5628 HW1 SOL 1352 22.770 1.160 51.300 1.00 0.00 H +ATOM 5629 HW2 SOL 1352 24.110 1.720 50.850 1.00 0.00 H +ATOM 5630 OW SOL 1353 2.300 42.980 21.940 1.00 0.00 O +ATOM 5631 HW1 SOL 1353 2.320 43.340 21.050 1.00 0.00 H +ATOM 5632 HW2 SOL 1353 3.200 43.060 22.250 1.00 0.00 H +ATOM 5633 OW SOL 1354 34.260 38.780 6.790 1.00 0.00 O +ATOM 5634 HW1 SOL 1354 33.690 39.080 6.080 1.00 0.00 H +ATOM 5635 HW2 SOL 1354 34.340 39.530 7.370 1.00 0.00 H +ATOM 5636 OW SOL 1355 44.360 20.780 19.440 1.00 0.00 O +ATOM 5637 HW1 SOL 1355 44.390 21.180 18.570 1.00 0.00 H +ATOM 5638 HW2 SOL 1355 43.680 21.260 19.910 1.00 0.00 H +ATOM 5639 OW SOL 1356 54.040 54.370 3.790 1.00 0.00 O +ATOM 5640 HW1 SOL 1356 53.330 54.800 4.270 1.00 0.00 H +ATOM 5641 HW2 SOL 1356 54.800 54.940 3.920 1.00 0.00 H +ATOM 5642 OW SOL 1357 36.850 59.740 43.210 1.00 0.00 O +ATOM 5643 HW1 SOL 1357 37.710 59.630 43.610 1.00 0.00 H +ATOM 5644 HW2 SOL 1357 36.230 59.560 43.920 1.00 0.00 H +ATOM 5645 OW SOL 1358 7.650 44.500 45.960 1.00 0.00 O +ATOM 5646 HW1 SOL 1358 6.800 44.070 45.910 1.00 0.00 H +ATOM 5647 HW2 SOL 1358 7.650 44.930 46.820 1.00 0.00 H +ATOM 5648 OW SOL 1359 40.040 37.760 50.600 1.00 0.00 O +ATOM 5649 HW1 SOL 1359 40.040 38.670 50.320 1.00 0.00 H +ATOM 5650 HW2 SOL 1359 39.890 37.260 49.790 1.00 0.00 H +ATOM 5651 OW SOL 1360 40.610 10.000 19.940 1.00 0.00 O +ATOM 5652 HW1 SOL 1360 40.610 10.200 19.010 1.00 0.00 H +ATOM 5653 HW2 SOL 1360 40.180 10.750 20.350 1.00 0.00 H +ATOM 5654 OW SOL 1361 20.190 8.640 0.830 1.00 0.00 O +ATOM 5655 HW1 SOL 1361 20.430 8.080 1.570 1.00 0.00 H +ATOM 5656 HW2 SOL 1361 19.570 9.270 1.200 1.00 0.00 H +ATOM 5657 OW SOL 1362 50.160 32.080 52.410 1.00 0.00 O +ATOM 5658 HW1 SOL 1362 49.300 32.490 52.370 1.00 0.00 H +ATOM 5659 HW2 SOL 1362 50.060 31.270 51.910 1.00 0.00 H +ATOM 5660 OW SOL 1363 55.310 29.800 35.040 1.00 0.00 O +ATOM 5661 HW1 SOL 1363 56.230 29.650 35.270 1.00 0.00 H +ATOM 5662 HW2 SOL 1363 55.100 30.640 35.440 1.00 0.00 H +ATOM 5663 OW SOL 1364 7.950 17.020 40.130 1.00 0.00 O +ATOM 5664 HW1 SOL 1364 8.080 16.550 40.960 1.00 0.00 H +ATOM 5665 HW2 SOL 1364 7.000 17.170 40.090 1.00 0.00 H +ATOM 5666 OW SOL 1365 26.270 25.880 20.920 1.00 0.00 O +ATOM 5667 HW1 SOL 1365 25.950 25.180 21.490 1.00 0.00 H +ATOM 5668 HW2 SOL 1365 26.060 25.580 20.030 1.00 0.00 H +ATOM 5669 OW SOL 1366 29.440 20.200 39.490 1.00 0.00 O +ATOM 5670 HW1 SOL 1366 29.470 19.400 40.010 1.00 0.00 H +ATOM 5671 HW2 SOL 1366 28.620 20.620 39.740 1.00 0.00 H +ATOM 5672 OW SOL 1367 47.410 3.510 43.500 1.00 0.00 O +ATOM 5673 HW1 SOL 1367 47.060 2.980 44.220 1.00 0.00 H +ATOM 5674 HW2 SOL 1367 47.230 2.990 42.720 1.00 0.00 H +ATOM 5675 OW SOL 1368 5.960 58.970 50.720 1.00 0.00 O +ATOM 5676 HW1 SOL 1368 6.180 59.000 51.650 1.00 0.00 H +ATOM 5677 HW2 SOL 1368 6.210 58.090 50.450 1.00 0.00 H +ATOM 5678 OW SOL 1369 14.550 5.290 47.520 1.00 0.00 O +ATOM 5679 HW1 SOL 1369 14.260 4.920 48.350 1.00 0.00 H +ATOM 5680 HW2 SOL 1369 15.420 5.640 47.700 1.00 0.00 H +ATOM 5681 OW SOL 1370 42.390 13.470 8.660 1.00 0.00 O +ATOM 5682 HW1 SOL 1370 43.090 13.690 8.030 1.00 0.00 H +ATOM 5683 HW2 SOL 1370 42.830 13.470 9.510 1.00 0.00 H +ATOM 5684 OW SOL 1371 0.990 4.650 23.860 1.00 0.00 O +ATOM 5685 HW1 SOL 1371 0.530 5.440 24.170 1.00 0.00 H +ATOM 5686 HW2 SOL 1371 0.300 4.110 23.490 1.00 0.00 H +ATOM 5687 OW SOL 1372 25.270 11.790 46.730 1.00 0.00 O +ATOM 5688 HW1 SOL 1372 26.180 11.490 46.760 1.00 0.00 H +ATOM 5689 HW2 SOL 1372 24.940 11.450 45.900 1.00 0.00 H +ATOM 5690 OW SOL 1373 45.320 59.740 25.020 1.00 0.00 O +ATOM 5691 HW1 SOL 1373 45.110 59.570 25.940 1.00 0.00 H +ATOM 5692 HW2 SOL 1373 45.670 58.920 24.700 1.00 0.00 H +ATOM 5693 OW SOL 1374 49.000 8.680 51.750 1.00 0.00 O +ATOM 5694 HW1 SOL 1374 48.460 9.360 51.350 1.00 0.00 H +ATOM 5695 HW2 SOL 1374 49.080 8.000 51.090 1.00 0.00 H +ATOM 5696 OW SOL 1375 33.570 57.770 2.050 1.00 0.00 O +ATOM 5697 HW1 SOL 1375 33.170 57.770 2.920 1.00 0.00 H +ATOM 5698 HW2 SOL 1375 34.360 57.220 2.140 1.00 0.00 H +ATOM 5699 OW SOL 1376 20.920 20.920 10.470 1.00 0.00 O +ATOM 5700 HW1 SOL 1376 20.800 19.980 10.530 1.00 0.00 H +ATOM 5701 HW2 SOL 1376 21.070 21.200 11.380 1.00 0.00 H +ATOM 5702 OW SOL 1377 47.590 15.380 3.120 1.00 0.00 O +ATOM 5703 HW1 SOL 1377 47.440 14.440 3.250 1.00 0.00 H +ATOM 5704 HW2 SOL 1377 48.210 15.420 2.390 1.00 0.00 H +ATOM 5705 OW SOL 1378 14.180 18.790 15.660 1.00 0.00 O +ATOM 5706 HW1 SOL 1378 14.330 19.720 15.500 1.00 0.00 H +ATOM 5707 HW2 SOL 1378 14.690 18.340 14.980 1.00 0.00 H +ATOM 5708 OW SOL 1379 14.180 37.070 25.340 1.00 0.00 O +ATOM 5709 HW1 SOL 1379 13.680 36.370 25.740 1.00 0.00 H +ATOM 5710 HW2 SOL 1379 13.780 37.190 24.470 1.00 0.00 H +ATOM 5711 OW SOL 1380 59.780 27.010 46.640 1.00 0.00 O +ATOM 5712 HW1 SOL 1380 58.890 26.890 46.980 1.00 0.00 H +ATOM 5713 HW2 SOL 1380 60.310 26.370 47.120 1.00 0.00 H +ATOM 5714 OW SOL 1381 43.840 29.410 34.080 1.00 0.00 O +ATOM 5715 HW1 SOL 1381 44.690 29.790 34.320 1.00 0.00 H +ATOM 5716 HW2 SOL 1381 43.470 30.030 33.450 1.00 0.00 H +ATOM 5717 OW SOL 1382 2.030 38.840 12.580 1.00 0.00 O +ATOM 5718 HW1 SOL 1382 2.070 38.000 12.130 1.00 0.00 H +ATOM 5719 HW2 SOL 1382 2.830 39.290 12.320 1.00 0.00 H +ATOM 5720 OW SOL 1383 47.580 27.650 16.950 1.00 0.00 O +ATOM 5721 HW1 SOL 1383 46.670 27.470 17.190 1.00 0.00 H +ATOM 5722 HW2 SOL 1383 48.090 27.170 17.610 1.00 0.00 H +ATOM 5723 OW SOL 1384 12.520 34.230 2.870 1.00 0.00 O +ATOM 5724 HW1 SOL 1384 11.820 34.870 3.020 1.00 0.00 H +ATOM 5725 HW2 SOL 1384 13.030 34.250 3.680 1.00 0.00 H +ATOM 5726 OW SOL 1385 2.160 3.750 46.680 1.00 0.00 O +ATOM 5727 HW1 SOL 1385 1.710 4.490 47.080 1.00 0.00 H +ATOM 5728 HW2 SOL 1385 2.180 3.080 47.360 1.00 0.00 H +ATOM 5729 OW SOL 1386 51.890 5.450 14.400 1.00 0.00 O +ATOM 5730 HW1 SOL 1386 52.000 4.810 15.100 1.00 0.00 H +ATOM 5731 HW2 SOL 1386 50.950 5.500 14.270 1.00 0.00 H +ATOM 5732 OW SOL 1387 33.680 17.610 18.250 1.00 0.00 O +ATOM 5733 HW1 SOL 1387 33.540 18.340 17.660 1.00 0.00 H +ATOM 5734 HW2 SOL 1387 34.140 16.950 17.720 1.00 0.00 H +ATOM 5735 OW SOL 1388 51.130 36.490 16.970 1.00 0.00 O +ATOM 5736 HW1 SOL 1388 51.190 37.060 17.740 1.00 0.00 H +ATOM 5737 HW2 SOL 1388 50.190 36.370 16.840 1.00 0.00 H +ATOM 5738 OW SOL 1389 64.580 53.460 13.030 1.00 0.00 O +ATOM 5739 HW1 SOL 1389 65.480 53.590 13.320 1.00 0.00 H +ATOM 5740 HW2 SOL 1389 64.180 54.330 13.080 1.00 0.00 H +ATOM 5741 OW SOL 1390 4.180 41.550 24.760 1.00 0.00 O +ATOM 5742 HW1 SOL 1390 4.780 42.110 24.270 1.00 0.00 H +ATOM 5743 HW2 SOL 1390 3.350 41.600 24.270 1.00 0.00 H +ATOM 5744 OW SOL 1391 48.620 14.880 21.580 1.00 0.00 O +ATOM 5745 HW1 SOL 1391 49.580 14.840 21.560 1.00 0.00 H +ATOM 5746 HW2 SOL 1391 48.350 14.020 21.240 1.00 0.00 H +ATOM 5747 OW SOL 1392 1.670 20.290 45.410 1.00 0.00 O +ATOM 5748 HW1 SOL 1392 1.700 19.350 45.230 1.00 0.00 H +ATOM 5749 HW2 SOL 1392 1.070 20.630 44.740 1.00 0.00 H +ATOM 5750 OW SOL 1393 36.560 51.940 10.230 1.00 0.00 O +ATOM 5751 HW1 SOL 1393 36.810 51.030 10.360 1.00 0.00 H +ATOM 5752 HW2 SOL 1393 35.610 51.940 10.290 1.00 0.00 H +ATOM 5753 OW SOL 1394 29.040 26.020 21.520 1.00 0.00 O +ATOM 5754 HW1 SOL 1394 29.350 25.980 20.610 1.00 0.00 H +ATOM 5755 HW2 SOL 1394 28.090 26.070 21.440 1.00 0.00 H +ATOM 5756 OW SOL 1395 4.320 0.460 41.620 1.00 0.00 O +ATOM 5757 HW1 SOL 1395 4.690 1.240 42.040 1.00 0.00 H +ATOM 5758 HW2 SOL 1395 4.690 0.470 40.740 1.00 0.00 H +ATOM 5759 OW SOL 1396 27.950 7.330 11.860 1.00 0.00 O +ATOM 5760 HW1 SOL 1396 27.480 6.600 12.260 1.00 0.00 H +ATOM 5761 HW2 SOL 1396 28.250 7.850 12.610 1.00 0.00 H +ATOM 5762 OW SOL 1397 22.570 47.320 50.540 1.00 0.00 O +ATOM 5763 HW1 SOL 1397 22.230 48.200 50.750 1.00 0.00 H +ATOM 5764 HW2 SOL 1397 22.490 46.840 51.370 1.00 0.00 H +ATOM 5765 OW SOL 1398 12.750 16.940 48.790 1.00 0.00 O +ATOM 5766 HW1 SOL 1398 12.310 16.510 48.060 1.00 0.00 H +ATOM 5767 HW2 SOL 1398 13.380 16.290 49.110 1.00 0.00 H +ATOM 5768 OW SOL 1399 26.820 5.810 7.970 1.00 0.00 O +ATOM 5769 HW1 SOL 1399 27.640 6.030 7.550 1.00 0.00 H +ATOM 5770 HW2 SOL 1399 26.180 5.750 7.260 1.00 0.00 H +ATOM 5771 OW SOL 1400 32.280 4.740 38.980 1.00 0.00 O +ATOM 5772 HW1 SOL 1400 31.610 4.790 38.300 1.00 0.00 H +ATOM 5773 HW2 SOL 1400 31.980 4.040 39.570 1.00 0.00 H +ATOM 5774 OW SOL 1401 33.440 19.250 15.930 1.00 0.00 O +ATOM 5775 HW1 SOL 1401 34.110 19.930 15.930 1.00 0.00 H +ATOM 5776 HW2 SOL 1401 32.920 19.420 15.150 1.00 0.00 H +ATOM 5777 OW SOL 1402 19.990 14.670 10.530 1.00 0.00 O +ATOM 5778 HW1 SOL 1402 20.200 14.990 9.650 1.00 0.00 H +ATOM 5779 HW2 SOL 1402 20.050 13.720 10.460 1.00 0.00 H +ATOM 5780 OW SOL 1403 22.540 12.650 44.190 1.00 0.00 O +ATOM 5781 HW1 SOL 1403 22.940 11.810 43.990 1.00 0.00 H +ATOM 5782 HW2 SOL 1403 23.220 13.140 44.660 1.00 0.00 H +ATOM 5783 OW SOL 1404 1.520 20.790 47.970 1.00 0.00 O +ATOM 5784 HW1 SOL 1404 1.530 20.720 47.010 1.00 0.00 H +ATOM 5785 HW2 SOL 1404 0.660 20.430 48.220 1.00 0.00 H +ATOM 5786 OW SOL 1405 43.140 49.790 13.350 1.00 0.00 O +ATOM 5787 HW1 SOL 1405 42.870 50.570 13.840 1.00 0.00 H +ATOM 5788 HW2 SOL 1405 44.010 50.010 13.010 1.00 0.00 H +ATOM 5789 OW SOL 1406 20.650 10.320 28.140 1.00 0.00 O +ATOM 5790 HW1 SOL 1406 21.030 11.180 27.970 1.00 0.00 H +ATOM 5791 HW2 SOL 1406 19.710 10.450 28.040 1.00 0.00 H +ATOM 5792 OW SOL 1407 -0.010 3.830 45.020 1.00 0.00 O +ATOM 5793 HW1 SOL 1407 0.810 3.920 45.510 1.00 0.00 H +ATOM 5794 HW2 SOL 1407 -0.450 4.670 45.130 1.00 0.00 H +ATOM 5795 OW SOL 1408 15.650 43.960 4.550 1.00 0.00 O +ATOM 5796 HW1 SOL 1408 15.070 44.710 4.730 1.00 0.00 H +ATOM 5797 HW2 SOL 1408 16.270 44.290 3.900 1.00 0.00 H +ATOM 5798 OW SOL 1409 35.890 13.610 42.740 1.00 0.00 O +ATOM 5799 HW1 SOL 1409 35.250 14.320 42.790 1.00 0.00 H +ATOM 5800 HW2 SOL 1409 35.430 12.850 43.110 1.00 0.00 H +ATOM 5801 OW SOL 1410 0.540 14.340 35.880 1.00 0.00 O +ATOM 5802 HW1 SOL 1410 0.880 13.740 36.550 1.00 0.00 H +ATOM 5803 HW2 SOL 1410 0.530 13.820 35.080 1.00 0.00 H +ATOM 5804 OW SOL 1411 31.110 8.110 28.480 1.00 0.00 O +ATOM 5805 HW1 SOL 1411 30.190 8.310 28.650 1.00 0.00 H +ATOM 5806 HW2 SOL 1411 31.090 7.380 27.850 1.00 0.00 H +ATOM 5807 OW SOL 1412 64.430 28.050 45.280 1.00 0.00 O +ATOM 5808 HW1 SOL 1412 63.880 27.300 45.080 1.00 0.00 H +ATOM 5809 HW2 SOL 1412 65.310 27.680 45.370 1.00 0.00 H +ATOM 5810 OW SOL 1413 62.960 4.250 29.920 1.00 0.00 O +ATOM 5811 HW1 SOL 1413 63.470 3.440 29.990 1.00 0.00 H +ATOM 5812 HW2 SOL 1413 62.630 4.400 30.810 1.00 0.00 H +ATOM 5813 OW SOL 1414 10.130 22.260 31.550 1.00 0.00 O +ATOM 5814 HW1 SOL 1414 10.670 22.940 31.150 1.00 0.00 H +ATOM 5815 HW2 SOL 1414 9.680 21.850 30.810 1.00 0.00 H +ATOM 5816 OW SOL 1415 35.810 4.480 32.320 1.00 0.00 O +ATOM 5817 HW1 SOL 1415 35.040 4.620 32.870 1.00 0.00 H +ATOM 5818 HW2 SOL 1415 35.920 3.530 32.310 1.00 0.00 H +ATOM 5819 OW SOL 1416 0.640 26.340 22.620 1.00 0.00 O +ATOM 5820 HW1 SOL 1416 0.390 27.140 23.090 1.00 0.00 H +ATOM 5821 HW2 SOL 1416 0.090 26.340 21.840 1.00 0.00 H +ATOM 5822 OW SOL 1417 38.190 10.820 48.250 1.00 0.00 O +ATOM 5823 HW1 SOL 1417 38.480 11.710 48.450 1.00 0.00 H +ATOM 5824 HW2 SOL 1417 38.830 10.260 48.680 1.00 0.00 H +ATOM 5825 OW SOL 1418 58.650 8.580 22.930 1.00 0.00 O +ATOM 5826 HW1 SOL 1418 57.980 9.210 23.180 1.00 0.00 H +ATOM 5827 HW2 SOL 1418 59.460 9.090 22.880 1.00 0.00 H +ATOM 5828 OW SOL 1419 5.240 3.350 52.990 1.00 0.00 O +ATOM 5829 HW1 SOL 1419 5.120 2.400 52.960 1.00 0.00 H +ATOM 5830 HW2 SOL 1419 4.570 3.700 52.400 1.00 0.00 H +ATOM 5831 OW SOL 1420 50.210 56.730 14.730 1.00 0.00 O +ATOM 5832 HW1 SOL 1420 49.940 56.160 14.020 1.00 0.00 H +ATOM 5833 HW2 SOL 1420 49.740 56.410 15.500 1.00 0.00 H +ATOM 5834 OW SOL 1421 0.095 61.250 12.220 1.00 0.00 O +ATOM 5835 HW1 SOL 1421 -0.745 61.690 12.340 1.00 0.00 H +ATOM 5836 HW2 SOL 1421 0.485 61.230 13.100 1.00 0.00 H +ATOM 5837 OW SOL 1422 8.870 24.290 45.950 1.00 0.00 O +ATOM 5838 HW1 SOL 1422 9.160 24.850 45.230 1.00 0.00 H +ATOM 5839 HW2 SOL 1422 9.560 23.640 46.050 1.00 0.00 H +ATOM 5840 OW SOL 1423 5.910 6.890 51.980 1.00 0.00 O +ATOM 5841 HW1 SOL 1423 6.690 6.750 52.520 1.00 0.00 H +ATOM 5842 HW2 SOL 1423 5.590 7.760 52.230 1.00 0.00 H +ATOM 5843 OW SOL 1424 50.580 19.120 16.780 1.00 0.00 O +ATOM 5844 HW1 SOL 1424 49.630 19.210 16.730 1.00 0.00 H +ATOM 5845 HW2 SOL 1424 50.780 19.180 17.710 1.00 0.00 H +ATOM 5846 OW SOL 1425 41.350 40.350 4.700 1.00 0.00 O +ATOM 5847 HW1 SOL 1425 42.210 40.480 5.100 1.00 0.00 H +ATOM 5848 HW2 SOL 1425 40.870 39.810 5.330 1.00 0.00 H +ATOM 5849 OW SOL 1426 45.840 20.250 4.600 1.00 0.00 O +ATOM 5850 HW1 SOL 1426 46.420 20.980 4.810 1.00 0.00 H +ATOM 5851 HW2 SOL 1426 46.390 19.630 4.120 1.00 0.00 H +ATOM 5852 OW SOL 1427 17.280 22.540 25.100 1.00 0.00 O +ATOM 5853 HW1 SOL 1427 16.350 22.440 24.900 1.00 0.00 H +ATOM 5854 HW2 SOL 1427 17.620 21.650 25.090 1.00 0.00 H +ATOM 5855 OW SOL 1428 32.870 6.110 21.290 1.00 0.00 O +ATOM 5856 HW1 SOL 1428 33.110 6.960 20.930 1.00 0.00 H +ATOM 5857 HW2 SOL 1428 32.420 6.310 22.110 1.00 0.00 H +ATOM 5858 OW SOL 1429 58.810 47.200 43.470 1.00 0.00 O +ATOM 5859 HW1 SOL 1429 58.120 46.530 43.410 1.00 0.00 H +ATOM 5860 HW2 SOL 1429 58.730 47.550 44.350 1.00 0.00 H +ATOM 5861 OW SOL 1430 29.710 8.440 0.630 1.00 0.00 O +ATOM 5862 HW1 SOL 1430 28.950 9.020 0.710 1.00 0.00 H +ATOM 5863 HW2 SOL 1430 30.200 8.790 -0.110 1.00 0.00 H +ATOM 5864 OW SOL 1431 42.680 3.680 49.140 1.00 0.00 O +ATOM 5865 HW1 SOL 1431 43.130 2.860 48.920 1.00 0.00 H +ATOM 5866 HW2 SOL 1431 43.260 4.360 48.790 1.00 0.00 H +ATOM 5867 OW SOL 1432 40.810 57.580 10.050 1.00 0.00 O +ATOM 5868 HW1 SOL 1432 40.190 58.210 10.410 1.00 0.00 H +ATOM 5869 HW2 SOL 1432 41.180 58.020 9.280 1.00 0.00 H +ATOM 5870 OW SOL 1433 30.530 19.160 22.880 1.00 0.00 O +ATOM 5871 HW1 SOL 1433 31.210 18.770 22.330 1.00 0.00 H +ATOM 5872 HW2 SOL 1433 30.420 18.530 23.600 1.00 0.00 H +ATOM 5873 OW SOL 1434 59.970 17.600 6.720 1.00 0.00 O +ATOM 5874 HW1 SOL 1434 59.540 18.040 5.980 1.00 0.00 H +ATOM 5875 HW2 SOL 1434 59.500 16.770 6.810 1.00 0.00 H +ATOM 5876 OW SOL 1435 5.980 46.160 27.510 1.00 0.00 O +ATOM 5877 HW1 SOL 1435 6.410 46.860 27.990 1.00 0.00 H +ATOM 5878 HW2 SOL 1435 5.110 46.500 27.310 1.00 0.00 H +ATOM 5879 OW SOL 1436 52.640 22.680 39.380 1.00 0.00 O +ATOM 5880 HW1 SOL 1436 53.530 23.040 39.450 1.00 0.00 H +ATOM 5881 HW2 SOL 1436 52.070 23.430 39.550 1.00 0.00 H +ATOM 5882 OW SOL 1437 32.930 8.730 35.590 1.00 0.00 O +ATOM 5883 HW1 SOL 1437 32.030 8.620 35.290 1.00 0.00 H +ATOM 5884 HW2 SOL 1437 32.890 8.590 36.530 1.00 0.00 H +ATOM 5885 OW SOL 1438 45.630 61.640 21.230 1.00 0.00 O +ATOM 5886 HW1 SOL 1438 45.590 60.740 20.910 1.00 0.00 H +ATOM 5887 HW2 SOL 1438 45.510 62.180 20.450 1.00 0.00 H +ATOM 5888 OW SOL 1439 18.980 43.220 13.890 1.00 0.00 O +ATOM 5889 HW1 SOL 1439 19.160 43.780 14.640 1.00 0.00 H +ATOM 5890 HW2 SOL 1439 19.760 42.660 13.810 1.00 0.00 H +ATOM 5891 OW SOL 1440 31.500 23.850 11.980 1.00 0.00 O +ATOM 5892 HW1 SOL 1440 31.520 24.440 11.230 1.00 0.00 H +ATOM 5893 HW2 SOL 1440 30.570 23.750 12.180 1.00 0.00 H +ATOM 5894 OW SOL 1441 49.970 13.920 30.400 1.00 0.00 O +ATOM 5895 HW1 SOL 1441 50.790 13.740 30.860 1.00 0.00 H +ATOM 5896 HW2 SOL 1441 50.140 14.730 29.920 1.00 0.00 H +ATOM 5897 OW SOL 1442 15.640 0.790 42.350 1.00 0.00 O +ATOM 5898 HW1 SOL 1442 15.420 -0.100 42.620 1.00 0.00 H +ATOM 5899 HW2 SOL 1442 14.990 1.340 42.790 1.00 0.00 H +ATOM 5900 OW SOL 1443 8.780 5.220 36.460 1.00 0.00 O +ATOM 5901 HW1 SOL 1443 8.040 5.500 37.000 1.00 0.00 H +ATOM 5902 HW2 SOL 1443 9.380 4.790 37.080 1.00 0.00 H +ATOM 5903 OW SOL 1444 33.050 32.980 43.380 1.00 0.00 O +ATOM 5904 HW1 SOL 1444 32.940 33.120 42.440 1.00 0.00 H +ATOM 5905 HW2 SOL 1444 33.180 32.040 43.480 1.00 0.00 H +ATOM 5906 OW SOL 1445 58.530 3.620 27.160 1.00 0.00 O +ATOM 5907 HW1 SOL 1445 59.350 3.990 26.820 1.00 0.00 H +ATOM 5908 HW2 SOL 1445 58.060 4.360 27.530 1.00 0.00 H +ATOM 5909 OW SOL 1446 17.320 14.980 13.880 1.00 0.00 O +ATOM 5910 HW1 SOL 1446 17.390 14.260 13.250 1.00 0.00 H +ATOM 5911 HW2 SOL 1446 16.610 14.710 14.470 1.00 0.00 H +ATOM 5912 OW SOL 1447 35.920 48.190 2.170 1.00 0.00 O +ATOM 5913 HW1 SOL 1447 36.270 48.050 3.050 1.00 0.00 H +ATOM 5914 HW2 SOL 1447 36.520 48.830 1.780 1.00 0.00 H +ATOM 5915 OW SOL 1448 62.980 28.130 29.760 1.00 0.00 O +ATOM 5916 HW1 SOL 1448 62.180 28.630 29.930 1.00 0.00 H +ATOM 5917 HW2 SOL 1448 63.090 28.170 28.810 1.00 0.00 H +ATOM 5918 OW SOL 1449 17.790 5.930 10.030 1.00 0.00 O +ATOM 5919 HW1 SOL 1449 17.200 6.350 9.400 1.00 0.00 H +ATOM 5920 HW2 SOL 1449 17.930 6.590 10.700 1.00 0.00 H +ATOM 5921 OW SOL 1450 32.800 54.170 4.300 1.00 0.00 O +ATOM 5922 HW1 SOL 1450 32.380 54.200 3.440 1.00 0.00 H +ATOM 5923 HW2 SOL 1450 32.100 53.930 4.910 1.00 0.00 H +ATOM 5924 OW SOL 1451 8.000 9.380 44.420 1.00 0.00 O +ATOM 5925 HW1 SOL 1451 7.610 8.780 45.060 1.00 0.00 H +ATOM 5926 HW2 SOL 1451 7.370 9.410 43.700 1.00 0.00 H +ATOM 5927 OW SOL 1452 10.170 43.390 10.220 1.00 0.00 O +ATOM 5928 HW1 SOL 1452 10.710 43.190 9.460 1.00 0.00 H +ATOM 5929 HW2 SOL 1452 10.680 44.010 10.740 1.00 0.00 H +ATOM 5930 OW SOL 1453 62.650 14.640 32.580 1.00 0.00 O +ATOM 5931 HW1 SOL 1453 62.630 13.770 32.170 1.00 0.00 H +ATOM 5932 HW2 SOL 1453 62.480 14.470 33.510 1.00 0.00 H +ATOM 5933 OW SOL 1454 33.230 36.510 7.930 1.00 0.00 O +ATOM 5934 HW1 SOL 1454 33.600 37.380 7.790 1.00 0.00 H +ATOM 5935 HW2 SOL 1454 33.340 36.060 7.100 1.00 0.00 H +ATOM 5936 OW SOL 1455 21.880 29.080 51.000 1.00 0.00 O +ATOM 5937 HW1 SOL 1455 21.060 28.860 50.560 1.00 0.00 H +ATOM 5938 HW2 SOL 1455 21.840 28.610 51.840 1.00 0.00 H +ATOM 5939 OW SOL 1456 0.650 17.490 44.790 1.00 0.00 O +ATOM 5940 HW1 SOL 1456 1.440 16.960 44.900 1.00 0.00 H +ATOM 5941 HW2 SOL 1456 -0.040 16.850 44.600 1.00 0.00 H +ATOM 5942 OW SOL 1457 14.250 39.860 49.960 1.00 0.00 O +ATOM 5943 HW1 SOL 1457 14.470 39.460 50.800 1.00 0.00 H +ATOM 5944 HW2 SOL 1457 14.140 40.790 50.150 1.00 0.00 H +ATOM 5945 OW SOL 1458 13.270 60.620 24.330 1.00 0.00 O +ATOM 5946 HW1 SOL 1458 12.760 61.410 24.150 1.00 0.00 H +ATOM 5947 HW2 SOL 1458 12.770 59.910 23.930 1.00 0.00 H +ATOM 5948 OW SOL 1459 60.680 43.610 35.120 1.00 0.00 O +ATOM 5949 HW1 SOL 1459 60.050 43.510 34.410 1.00 0.00 H +ATOM 5950 HW2 SOL 1459 61.470 43.940 34.690 1.00 0.00 H +ATOM 5951 OW SOL 1460 28.160 39.940 47.010 1.00 0.00 O +ATOM 5952 HW1 SOL 1460 27.210 39.890 47.000 1.00 0.00 H +ATOM 5953 HW2 SOL 1460 28.420 39.380 47.750 1.00 0.00 H +ATOM 5954 OW SOL 1461 7.980 19.620 41.400 1.00 0.00 O +ATOM 5955 HW1 SOL 1461 8.110 18.670 41.390 1.00 0.00 H +ATOM 5956 HW2 SOL 1461 8.780 19.970 41.790 1.00 0.00 H +ATOM 5957 OW SOL 1462 33.840 13.960 2.600 1.00 0.00 O +ATOM 5958 HW1 SOL 1462 32.950 13.950 2.260 1.00 0.00 H +ATOM 5959 HW2 SOL 1462 34.030 14.890 2.730 1.00 0.00 H +ATOM 5960 OW SOL 1463 63.360 52.170 8.880 1.00 0.00 O +ATOM 5961 HW1 SOL 1463 63.910 52.510 9.580 1.00 0.00 H +ATOM 5962 HW2 SOL 1463 63.910 51.540 8.410 1.00 0.00 H +ATOM 5963 OW SOL 1464 33.120 60.820 9.790 1.00 0.00 O +ATOM 5964 HW1 SOL 1464 34.050 60.600 9.700 1.00 0.00 H +ATOM 5965 HW2 SOL 1464 32.670 59.970 9.730 1.00 0.00 H +ATOM 5966 OW SOL 1465 23.300 1.340 19.120 1.00 0.00 O +ATOM 5967 HW1 SOL 1465 22.510 1.680 18.710 1.00 0.00 H +ATOM 5968 HW2 SOL 1465 23.700 0.800 18.430 1.00 0.00 H +ATOM 5969 OW SOL 1466 2.940 41.070 16.880 1.00 0.00 O +ATOM 5970 HW1 SOL 1466 2.670 40.310 16.370 1.00 0.00 H +ATOM 5971 HW2 SOL 1466 3.760 40.810 17.300 1.00 0.00 H +ATOM 5972 OW SOL 1467 17.000 10.790 17.950 1.00 0.00 O +ATOM 5973 HW1 SOL 1467 16.120 10.460 17.800 1.00 0.00 H +ATOM 5974 HW2 SOL 1467 17.110 11.490 17.300 1.00 0.00 H +ATOM 5975 OW SOL 1468 61.220 17.050 40.570 1.00 0.00 O +ATOM 5976 HW1 SOL 1468 60.650 16.280 40.550 1.00 0.00 H +ATOM 5977 HW2 SOL 1468 61.220 17.380 39.670 1.00 0.00 H +ATOM 5978 OW SOL 1469 47.780 54.170 21.090 1.00 0.00 O +ATOM 5979 HW1 SOL 1469 47.360 54.960 21.440 1.00 0.00 H +ATOM 5980 HW2 SOL 1469 48.690 54.230 21.380 1.00 0.00 H +ATOM 5981 OW SOL 1470 17.550 55.720 7.390 1.00 0.00 O +ATOM 5982 HW1 SOL 1470 17.220 56.610 7.490 1.00 0.00 H +ATOM 5983 HW2 SOL 1470 16.820 55.160 7.630 1.00 0.00 H +ATOM 5984 OW SOL 1471 1.340 27.590 38.990 1.00 0.00 O +ATOM 5985 HW1 SOL 1471 2.110 28.130 38.800 1.00 0.00 H +ATOM 5986 HW2 SOL 1471 1.420 27.380 39.910 1.00 0.00 H +ATOM 5987 OW SOL 1472 31.770 35.790 15.240 1.00 0.00 O +ATOM 5988 HW1 SOL 1472 31.870 36.020 14.310 1.00 0.00 H +ATOM 5989 HW2 SOL 1472 31.310 34.960 15.230 1.00 0.00 H +ATOM 5990 OW SOL 1473 41.020 57.410 43.450 1.00 0.00 O +ATOM 5991 HW1 SOL 1473 41.960 57.270 43.310 1.00 0.00 H +ATOM 5992 HW2 SOL 1473 40.700 56.570 43.790 1.00 0.00 H +ATOM 5993 OW SOL 1474 45.170 40.710 10.920 1.00 0.00 O +ATOM 5994 HW1 SOL 1474 44.510 40.220 11.410 1.00 0.00 H +ATOM 5995 HW2 SOL 1474 44.760 41.560 10.750 1.00 0.00 H +ATOM 5996 OW SOL 1475 18.250 31.710 36.640 1.00 0.00 O +ATOM 5997 HW1 SOL 1475 17.550 31.310 37.160 1.00 0.00 H +ATOM 5998 HW2 SOL 1475 18.910 31.970 37.290 1.00 0.00 H +ATOM 5999 OW SOL 1476 35.630 26.610 12.950 1.00 0.00 O +ATOM 6000 HW1 SOL 1476 36.250 26.130 12.400 1.00 0.00 H +ATOM 6001 HW2 SOL 1476 35.320 27.320 12.390 1.00 0.00 H +ATOM 6002 OW SOL 1477 60.420 53.900 39.740 1.00 0.00 O +ATOM 6003 HW1 SOL 1477 60.500 53.540 38.860 1.00 0.00 H +ATOM 6004 HW2 SOL 1477 59.540 54.280 39.770 1.00 0.00 H +ATOM 6005 OW SOL 1478 10.260 28.750 42.440 1.00 0.00 O +ATOM 6006 HW1 SOL 1478 10.400 29.460 43.070 1.00 0.00 H +ATOM 6007 HW2 SOL 1478 10.240 29.190 41.590 1.00 0.00 H +ATOM 6008 OW SOL 1479 38.100 60.640 1.450 1.00 0.00 O +ATOM 6009 HW1 SOL 1479 38.340 61.550 1.310 1.00 0.00 H +ATOM 6010 HW2 SOL 1479 37.660 60.640 2.300 1.00 0.00 H +ATOM 6011 OW SOL 1480 61.760 18.610 38.140 1.00 0.00 O +ATOM 6012 HW1 SOL 1480 61.650 19.520 38.400 1.00 0.00 H +ATOM 6013 HW2 SOL 1480 60.960 18.400 37.650 1.00 0.00 H +ATOM 6014 OW SOL 1481 31.230 18.410 53.020 1.00 0.00 O +ATOM 6015 HW1 SOL 1481 30.360 18.010 53.050 1.00 0.00 H +ATOM 6016 HW2 SOL 1481 31.080 19.280 52.660 1.00 0.00 H +ATOM 6017 OW SOL 1482 44.990 43.060 48.610 1.00 0.00 O +ATOM 6018 HW1 SOL 1482 45.300 43.370 47.760 1.00 0.00 H +ATOM 6019 HW2 SOL 1482 45.710 43.250 49.210 1.00 0.00 H +ATOM 6020 OW SOL 1483 20.920 27.520 39.730 1.00 0.00 O +ATOM 6021 HW1 SOL 1483 21.270 27.490 38.840 1.00 0.00 H +ATOM 6022 HW2 SOL 1483 20.880 26.600 40.000 1.00 0.00 H +ATOM 6023 OW SOL 1484 42.920 32.610 47.990 1.00 0.00 O +ATOM 6024 HW1 SOL 1484 42.390 32.970 47.280 1.00 0.00 H +ATOM 6025 HW2 SOL 1484 43.750 32.370 47.560 1.00 0.00 H +ATOM 6026 OW SOL 1485 12.710 7.170 42.920 1.00 0.00 O +ATOM 6027 HW1 SOL 1485 13.230 6.880 43.670 1.00 0.00 H +ATOM 6028 HW2 SOL 1485 12.190 7.890 43.250 1.00 0.00 H +ATOM 6029 OW SOL 1486 16.750 59.540 35.710 1.00 0.00 O +ATOM 6030 HW1 SOL 1486 17.380 60.250 35.820 1.00 0.00 H +ATOM 6031 HW2 SOL 1486 16.810 59.320 34.780 1.00 0.00 H +ATOM 6032 OW SOL 1487 43.150 31.420 11.490 1.00 0.00 O +ATOM 6033 HW1 SOL 1487 42.500 31.620 10.820 1.00 0.00 H +ATOM 6034 HW2 SOL 1487 43.790 30.850 11.040 1.00 0.00 H +ATOM 6035 OW SOL 1488 33.050 57.470 51.060 1.00 0.00 O +ATOM 6036 HW1 SOL 1488 33.230 56.980 50.260 1.00 0.00 H +ATOM 6037 HW2 SOL 1488 33.860 57.970 51.230 1.00 0.00 H +ATOM 6038 OW SOL 1489 15.700 44.820 34.340 1.00 0.00 O +ATOM 6039 HW1 SOL 1489 14.990 45.450 34.210 1.00 0.00 H +ATOM 6040 HW2 SOL 1489 15.340 43.990 34.030 1.00 0.00 H +ATOM 6041 OW SOL 1490 22.260 54.160 10.950 1.00 0.00 O +ATOM 6042 HW1 SOL 1490 22.200 53.500 10.260 1.00 0.00 H +ATOM 6043 HW2 SOL 1490 22.410 54.980 10.480 1.00 0.00 H +ATOM 6044 OW SOL 1491 36.420 12.090 33.150 1.00 0.00 O +ATOM 6045 HW1 SOL 1491 35.730 12.050 33.810 1.00 0.00 H +ATOM 6046 HW2 SOL 1491 36.660 11.170 33.000 1.00 0.00 H +ATOM 6047 OW SOL 1492 41.670 54.430 43.520 1.00 0.00 O +ATOM 6048 HW1 SOL 1492 42.030 53.690 44.020 1.00 0.00 H +ATOM 6049 HW2 SOL 1492 40.970 54.040 42.990 1.00 0.00 H +ATOM 6050 OW SOL 1493 43.420 19.420 1.620 1.00 0.00 O +ATOM 6051 HW1 SOL 1493 43.180 19.010 2.450 1.00 0.00 H +ATOM 6052 HW2 SOL 1493 44.340 19.650 1.710 1.00 0.00 H +ATOM 6053 OW SOL 1494 63.460 12.990 22.410 1.00 0.00 O +ATOM 6054 HW1 SOL 1494 62.700 13.400 22.010 1.00 0.00 H +ATOM 6055 HW2 SOL 1494 63.110 12.250 22.920 1.00 0.00 H +ATOM 6056 OW SOL 1495 62.660 55.640 39.650 1.00 0.00 O +ATOM 6057 HW1 SOL 1495 61.780 55.240 39.680 1.00 0.00 H +ATOM 6058 HW2 SOL 1495 63.180 55.110 40.250 1.00 0.00 H +ATOM 6059 OW SOL 1496 42.600 33.730 53.440 1.00 0.00 O +ATOM 6060 HW1 SOL 1496 42.940 32.840 53.480 1.00 0.00 H +ATOM 6061 HW2 SOL 1496 43.000 34.100 52.650 1.00 0.00 H +ATOM 6062 OW SOL 1497 58.200 24.580 32.460 1.00 0.00 O +ATOM 6063 HW1 SOL 1497 58.420 24.620 31.520 1.00 0.00 H +ATOM 6064 HW2 SOL 1497 57.410 25.110 32.540 1.00 0.00 H +ATOM 6065 OW SOL 1498 29.330 8.870 36.500 1.00 0.00 O +ATOM 6066 HW1 SOL 1498 29.140 9.810 36.500 1.00 0.00 H +ATOM 6067 HW2 SOL 1498 29.840 8.740 35.700 1.00 0.00 H +ATOM 6068 OW SOL 1499 15.950 21.830 4.360 1.00 0.00 O +ATOM 6069 HW1 SOL 1499 16.210 21.510 5.220 1.00 0.00 H +ATOM 6070 HW2 SOL 1499 16.760 22.160 3.970 1.00 0.00 H +ATOM 6071 OW SOL 1500 8.730 26.860 39.120 1.00 0.00 O +ATOM 6072 HW1 SOL 1500 9.250 26.610 38.360 1.00 0.00 H +ATOM 6073 HW2 SOL 1500 8.010 27.390 38.760 1.00 0.00 H +ATOM 6074 OW SOL 1501 62.980 54.250 26.880 1.00 0.00 O +ATOM 6075 HW1 SOL 1501 62.370 53.800 26.300 1.00 0.00 H +ATOM 6076 HW2 SOL 1501 62.880 53.800 27.720 1.00 0.00 H +ATOM 6077 OW SOL 1502 16.560 17.270 28.890 1.00 0.00 O +ATOM 6078 HW1 SOL 1502 16.880 16.940 28.050 1.00 0.00 H +ATOM 6079 HW2 SOL 1502 17.290 17.770 29.240 1.00 0.00 H +ATOM 6080 OW SOL 1503 24.660 6.720 37.930 1.00 0.00 O +ATOM 6081 HW1 SOL 1503 25.600 6.900 37.900 1.00 0.00 H +ATOM 6082 HW2 SOL 1503 24.600 5.790 38.160 1.00 0.00 H +ATOM 6083 OW SOL 1504 26.050 13.170 20.200 1.00 0.00 O +ATOM 6084 HW1 SOL 1504 26.910 13.090 20.610 1.00 0.00 H +ATOM 6085 HW2 SOL 1504 25.590 12.370 20.460 1.00 0.00 H +ATOM 6086 OW SOL 1505 39.310 8.290 6.130 1.00 0.00 O +ATOM 6087 HW1 SOL 1505 38.870 8.820 5.460 1.00 0.00 H +ATOM 6088 HW2 SOL 1505 38.640 8.140 6.790 1.00 0.00 H +ATOM 6089 OW SOL 1506 64.790 8.430 47.700 1.00 0.00 O +ATOM 6090 HW1 SOL 1506 64.740 9.160 48.330 1.00 0.00 H +ATOM 6091 HW2 SOL 1506 65.340 8.770 46.990 1.00 0.00 H +ATOM 6092 OW SOL 1507 7.200 6.780 4.920 1.00 0.00 O +ATOM 6093 HW1 SOL 1507 6.330 6.820 4.540 1.00 0.00 H +ATOM 6094 HW2 SOL 1507 7.130 7.270 5.740 1.00 0.00 H +ATOM 6095 OW SOL 1508 18.810 52.250 52.190 1.00 0.00 O +ATOM 6096 HW1 SOL 1508 19.390 52.360 52.940 1.00 0.00 H +ATOM 6097 HW2 SOL 1508 19.370 52.410 51.430 1.00 0.00 H +ATOM 6098 OW SOL 1509 4.300 16.160 32.900 1.00 0.00 O +ATOM 6099 HW1 SOL 1509 4.460 15.510 33.580 1.00 0.00 H +ATOM 6100 HW2 SOL 1509 4.280 15.660 32.090 1.00 0.00 H +ATOM 6101 OW SOL 1510 16.580 16.320 38.790 1.00 0.00 O +ATOM 6102 HW1 SOL 1510 16.940 15.890 38.020 1.00 0.00 H +ATOM 6103 HW2 SOL 1510 17.240 16.970 39.030 1.00 0.00 H +ATOM 6104 OW SOL 1511 45.790 16.180 39.480 1.00 0.00 O +ATOM 6105 HW1 SOL 1511 45.540 16.940 40.020 1.00 0.00 H +ATOM 6106 HW2 SOL 1511 46.660 15.940 39.800 1.00 0.00 H +ATOM 6107 OW SOL 1512 54.790 20.300 2.950 1.00 0.00 O +ATOM 6108 HW1 SOL 1512 55.150 19.980 3.780 1.00 0.00 H +ATOM 6109 HW2 SOL 1512 54.460 21.170 3.160 1.00 0.00 H +ATOM 6110 OW SOL 1513 64.460 15.350 11.640 1.00 0.00 O +ATOM 6111 HW1 SOL 1513 64.470 14.920 12.490 1.00 0.00 H +ATOM 6112 HW2 SOL 1513 64.090 14.700 11.050 1.00 0.00 H +ATOM 6113 OW SOL 1514 55.960 54.210 35.920 1.00 0.00 O +ATOM 6114 HW1 SOL 1514 55.030 54.200 36.120 1.00 0.00 H +ATOM 6115 HW2 SOL 1514 56.010 54.520 35.010 1.00 0.00 H +ATOM 6116 OW SOL 1515 33.330 11.780 47.060 1.00 0.00 O +ATOM 6117 HW1 SOL 1515 32.600 11.830 47.670 1.00 0.00 H +ATOM 6118 HW2 SOL 1515 34.090 11.570 47.610 1.00 0.00 H +ATOM 6119 OW SOL 1516 23.700 11.670 5.690 1.00 0.00 O +ATOM 6120 HW1 SOL 1516 23.060 11.290 5.090 1.00 0.00 H +ATOM 6121 HW2 SOL 1516 23.700 12.600 5.490 1.00 0.00 H +ATOM 6122 OW SOL 1517 56.360 47.590 34.220 1.00 0.00 O +ATOM 6123 HW1 SOL 1517 55.700 47.010 34.600 1.00 0.00 H +ATOM 6124 HW2 SOL 1517 56.660 47.130 33.430 1.00 0.00 H +ATOM 6125 OW SOL 1518 40.190 57.410 48.100 1.00 0.00 O +ATOM 6126 HW1 SOL 1518 39.610 57.640 48.820 1.00 0.00 H +ATOM 6127 HW2 SOL 1518 39.980 58.030 47.400 1.00 0.00 H +ATOM 6128 OW SOL 1519 7.520 23.080 42.870 1.00 0.00 O +ATOM 6129 HW1 SOL 1519 7.740 23.040 41.940 1.00 0.00 H +ATOM 6130 HW2 SOL 1519 8.360 22.990 43.320 1.00 0.00 H +ATOM 6131 OW SOL 1520 11.290 15.990 11.100 1.00 0.00 O +ATOM 6132 HW1 SOL 1520 11.850 15.380 10.610 1.00 0.00 H +ATOM 6133 HW2 SOL 1520 11.850 16.320 11.800 1.00 0.00 H +ATOM 6134 OW SOL 1521 57.890 28.400 18.470 1.00 0.00 O +ATOM 6135 HW1 SOL 1521 57.040 28.810 18.310 1.00 0.00 H +ATOM 6136 HW2 SOL 1521 58.510 28.920 17.960 1.00 0.00 H +ATOM 6137 OW SOL 1522 36.960 56.650 10.280 1.00 0.00 O +ATOM 6138 HW1 SOL 1522 36.320 55.930 10.250 1.00 0.00 H +ATOM 6139 HW2 SOL 1522 37.770 56.260 9.960 1.00 0.00 H +ATOM 6140 OW SOL 1523 45.500 31.970 33.760 1.00 0.00 O +ATOM 6141 HW1 SOL 1523 45.160 31.860 32.880 1.00 0.00 H +ATOM 6142 HW2 SOL 1523 45.390 32.900 33.940 1.00 0.00 H +ATOM 6143 OW SOL 1524 20.230 50.120 25.150 1.00 0.00 O +ATOM 6144 HW1 SOL 1524 20.420 50.170 24.210 1.00 0.00 H +ATOM 6145 HW2 SOL 1524 21.020 49.760 25.540 1.00 0.00 H +ATOM 6146 OW SOL 1525 65.210 23.010 50.090 1.00 0.00 O +ATOM 6147 HW1 SOL 1525 66.090 23.110 50.470 1.00 0.00 H +ATOM 6148 HW2 SOL 1525 65.030 23.850 49.670 1.00 0.00 H +ATOM 6149 OW SOL 1526 23.170 57.740 10.070 1.00 0.00 O +ATOM 6150 HW1 SOL 1526 22.540 57.100 9.740 1.00 0.00 H +ATOM 6151 HW2 SOL 1526 23.350 57.460 10.970 1.00 0.00 H +ATOM 6152 OW SOL 1527 25.770 32.050 1.810 1.00 0.00 O +ATOM 6153 HW1 SOL 1527 25.900 31.430 2.540 1.00 0.00 H +ATOM 6154 HW2 SOL 1527 26.430 31.800 1.160 1.00 0.00 H +ATOM 6155 OW SOL 1528 26.650 37.820 44.510 1.00 0.00 O +ATOM 6156 HW1 SOL 1528 27.100 38.170 43.730 1.00 0.00 H +ATOM 6157 HW2 SOL 1528 27.350 37.430 45.030 1.00 0.00 H +ATOM 6158 OW SOL 1529 55.000 49.780 43.400 1.00 0.00 O +ATOM 6159 HW1 SOL 1529 54.430 49.310 44.020 1.00 0.00 H +ATOM 6160 HW2 SOL 1529 55.450 50.430 43.930 1.00 0.00 H +ATOM 6161 OW SOL 1530 16.280 30.190 8.790 1.00 0.00 O +ATOM 6162 HW1 SOL 1530 15.900 30.190 7.920 1.00 0.00 H +ATOM 6163 HW2 SOL 1530 16.870 30.940 8.800 1.00 0.00 H +ATOM 6164 OW SOL 1531 20.720 50.300 28.330 1.00 0.00 O +ATOM 6165 HW1 SOL 1531 21.250 49.700 28.860 1.00 0.00 H +ATOM 6166 HW2 SOL 1531 20.600 49.840 27.490 1.00 0.00 H +ATOM 6167 OW SOL 1532 22.720 49.480 9.440 1.00 0.00 O +ATOM 6168 HW1 SOL 1532 23.150 50.260 9.100 1.00 0.00 H +ATOM 6169 HW2 SOL 1532 21.840 49.790 9.680 1.00 0.00 H +ATOM 6170 OW SOL 1533 2.730 33.500 37.530 1.00 0.00 O +ATOM 6171 HW1 SOL 1533 1.930 33.890 37.870 1.00 0.00 H +ATOM 6172 HW2 SOL 1533 3.320 34.240 37.370 1.00 0.00 H +ATOM 6173 OW SOL 1534 3.420 14.530 30.480 1.00 0.00 O +ATOM 6174 HW1 SOL 1534 2.650 14.060 30.150 1.00 0.00 H +ATOM 6175 HW2 SOL 1534 3.560 15.240 29.850 1.00 0.00 H +ATOM 6176 OW SOL 1535 18.040 3.730 11.690 1.00 0.00 O +ATOM 6177 HW1 SOL 1535 18.190 4.230 10.890 1.00 0.00 H +ATOM 6178 HW2 SOL 1535 17.100 3.540 11.680 1.00 0.00 H +ATOM 6179 OW SOL 1536 25.480 4.530 5.840 1.00 0.00 O +ATOM 6180 HW1 SOL 1536 25.170 4.870 5.000 1.00 0.00 H +ATOM 6181 HW2 SOL 1536 25.920 3.710 5.620 1.00 0.00 H +ATOM 6182 OW SOL 1537 64.570 33.450 10.750 1.00 0.00 O +ATOM 6183 HW1 SOL 1537 64.770 34.380 10.880 1.00 0.00 H +ATOM 6184 HW2 SOL 1537 64.480 33.360 9.810 1.00 0.00 H +ATOM 6185 OW SOL 1538 44.210 6.720 5.100 1.00 0.00 O +ATOM 6186 HW1 SOL 1538 44.020 7.260 5.870 1.00 0.00 H +ATOM 6187 HW2 SOL 1538 43.810 5.870 5.300 1.00 0.00 H +ATOM 6188 OW SOL 1539 30.490 40.690 39.290 1.00 0.00 O +ATOM 6189 HW1 SOL 1539 30.500 41.540 39.740 1.00 0.00 H +ATOM 6190 HW2 SOL 1539 29.680 40.270 39.590 1.00 0.00 H +ATOM 6191 OW SOL 1540 7.730 53.820 39.480 1.00 0.00 O +ATOM 6192 HW1 SOL 1540 8.110 53.570 38.640 1.00 0.00 H +ATOM 6193 HW2 SOL 1540 6.810 53.560 39.410 1.00 0.00 H +ATOM 6194 OW SOL 1541 1.070 6.910 27.750 1.00 0.00 O +ATOM 6195 HW1 SOL 1541 1.640 6.440 28.360 1.00 0.00 H +ATOM 6196 HW2 SOL 1541 0.460 7.380 28.310 1.00 0.00 H +ATOM 6197 OW SOL 1542 53.650 40.420 31.880 1.00 0.00 O +ATOM 6198 HW1 SOL 1542 53.400 40.010 32.710 1.00 0.00 H +ATOM 6199 HW2 SOL 1542 53.220 39.880 31.210 1.00 0.00 H +ATOM 6200 OW SOL 1543 10.190 56.320 37.250 1.00 0.00 O +ATOM 6201 HW1 SOL 1543 9.420 56.690 36.830 1.00 0.00 H +ATOM 6202 HW2 SOL 1543 10.840 56.270 36.550 1.00 0.00 H +ATOM 6203 OW SOL 1544 0.490 60.800 23.650 1.00 0.00 O +ATOM 6204 HW1 SOL 1544 -0.460 60.800 23.500 1.00 0.00 H +ATOM 6205 HW2 SOL 1544 0.850 60.420 22.850 1.00 0.00 H +ATOM 6206 OW SOL 1545 19.180 19.440 51.480 1.00 0.00 O +ATOM 6207 HW1 SOL 1545 18.440 19.250 52.050 1.00 0.00 H +ATOM 6208 HW2 SOL 1545 18.830 19.380 50.600 1.00 0.00 H +ATOM 6209 OW SOL 1546 28.880 45.340 50.810 1.00 0.00 O +ATOM 6210 HW1 SOL 1546 28.640 45.270 49.890 1.00 0.00 H +ATOM 6211 HW2 SOL 1546 29.370 46.160 50.870 1.00 0.00 H +ATOM 6212 OW SOL 1547 54.450 57.030 51.810 1.00 0.00 O +ATOM 6213 HW1 SOL 1547 54.540 57.910 52.170 1.00 0.00 H +ATOM 6214 HW2 SOL 1547 55.080 57.000 51.090 1.00 0.00 H +ATOM 6215 OW SOL 1548 15.300 57.210 9.870 1.00 0.00 O +ATOM 6216 HW1 SOL 1548 15.330 57.260 8.910 1.00 0.00 H +ATOM 6217 HW2 SOL 1548 14.440 57.560 10.100 1.00 0.00 H +ATOM 6218 OW SOL 1549 49.140 4.790 1.350 1.00 0.00 O +ATOM 6219 HW1 SOL 1549 48.570 5.530 1.170 1.00 0.00 H +ATOM 6220 HW2 SOL 1549 49.150 4.710 2.310 1.00 0.00 H +ATOM 6221 OW SOL 1550 19.250 36.000 40.790 1.00 0.00 O +ATOM 6222 HW1 SOL 1550 18.890 35.110 40.750 1.00 0.00 H +ATOM 6223 HW2 SOL 1550 19.440 36.230 39.880 1.00 0.00 H +ATOM 6224 OW SOL 1551 62.970 33.830 33.170 1.00 0.00 O +ATOM 6225 HW1 SOL 1551 63.790 33.540 32.770 1.00 0.00 H +ATOM 6226 HW2 SOL 1551 62.620 34.480 32.560 1.00 0.00 H +ATOM 6227 OW SOL 1552 13.290 51.190 24.650 1.00 0.00 O +ATOM 6228 HW1 SOL 1552 13.880 51.860 24.290 1.00 0.00 H +ATOM 6229 HW2 SOL 1552 13.850 50.440 24.820 1.00 0.00 H +ATOM 6230 OW SOL 1553 4.280 57.370 46.740 1.00 0.00 O +ATOM 6231 HW1 SOL 1553 5.210 57.510 46.580 1.00 0.00 H +ATOM 6232 HW2 SOL 1553 4.200 56.430 46.920 1.00 0.00 H +ATOM 6233 OW SOL 1554 58.150 32.400 51.160 1.00 0.00 O +ATOM 6234 HW1 SOL 1554 58.920 31.890 50.930 1.00 0.00 H +ATOM 6235 HW2 SOL 1554 57.750 31.920 51.890 1.00 0.00 H +ATOM 6236 OW SOL 1555 42.880 30.730 24.210 1.00 0.00 O +ATOM 6237 HW1 SOL 1555 43.680 31.220 24.370 1.00 0.00 H +ATOM 6238 HW2 SOL 1555 42.680 30.890 23.290 1.00 0.00 H +ATOM 6239 OW SOL 1556 21.020 11.360 46.810 1.00 0.00 O +ATOM 6240 HW1 SOL 1556 21.460 11.770 46.070 1.00 0.00 H +ATOM 6241 HW2 SOL 1556 21.720 11.120 47.400 1.00 0.00 H +ATOM 6242 OW SOL 1557 45.600 18.780 9.900 1.00 0.00 O +ATOM 6243 HW1 SOL 1557 45.320 17.960 10.300 1.00 0.00 H +ATOM 6244 HW2 SOL 1557 46.040 19.250 10.610 1.00 0.00 H +ATOM 6245 OW SOL 1558 3.120 57.580 26.540 1.00 0.00 O +ATOM 6246 HW1 SOL 1558 2.350 58.120 26.340 1.00 0.00 H +ATOM 6247 HW2 SOL 1558 3.820 58.210 26.700 1.00 0.00 H +ATOM 6248 OW SOL 1559 51.790 58.050 4.040 1.00 0.00 O +ATOM 6249 HW1 SOL 1559 50.850 57.840 4.010 1.00 0.00 H +ATOM 6250 HW2 SOL 1559 51.820 59.010 4.040 1.00 0.00 H +ATOM 6251 OW SOL 1560 1.140 7.230 37.960 1.00 0.00 O +ATOM 6252 HW1 SOL 1560 0.280 7.510 37.640 1.00 0.00 H +ATOM 6253 HW2 SOL 1560 1.510 8.020 38.350 1.00 0.00 H +ATOM 6254 OW SOL 1561 39.880 61.460 5.440 1.00 0.00 O +ATOM 6255 HW1 SOL 1561 39.150 61.400 4.820 1.00 0.00 H +ATOM 6256 HW2 SOL 1561 39.480 61.280 6.290 1.00 0.00 H +ATOM 6257 OW SOL 1562 44.400 15.300 42.110 1.00 0.00 O +ATOM 6258 HW1 SOL 1562 43.830 14.920 41.430 1.00 0.00 H +ATOM 6259 HW2 SOL 1562 44.400 16.240 41.930 1.00 0.00 H +ATOM 6260 OW SOL 1563 42.510 10.820 18.230 1.00 0.00 O +ATOM 6261 HW1 SOL 1563 43.300 10.400 18.590 1.00 0.00 H +ATOM 6262 HW2 SOL 1563 42.610 11.750 18.460 1.00 0.00 H +ATOM 6263 OW SOL 1564 10.360 44.600 34.080 1.00 0.00 O +ATOM 6264 HW1 SOL 1564 10.270 45.550 34.160 1.00 0.00 H +ATOM 6265 HW2 SOL 1564 9.470 44.270 34.150 1.00 0.00 H +ATOM 6266 OW SOL 1565 25.150 40.580 44.450 1.00 0.00 O +ATOM 6267 HW1 SOL 1565 24.930 40.430 43.530 1.00 0.00 H +ATOM 6268 HW2 SOL 1565 25.270 39.700 44.810 1.00 0.00 H +ATOM 6269 OW SOL 1566 34.480 40.580 42.460 1.00 0.00 O +ATOM 6270 HW1 SOL 1566 34.500 41.400 41.970 1.00 0.00 H +ATOM 6271 HW2 SOL 1566 33.920 40.000 41.940 1.00 0.00 H +ATOM 6272 OW SOL 1567 7.860 39.840 30.330 1.00 0.00 O +ATOM 6273 HW1 SOL 1567 8.490 39.920 29.610 1.00 0.00 H +ATOM 6274 HW2 SOL 1567 7.010 39.920 29.910 1.00 0.00 H +ATOM 6275 OW SOL 1568 12.700 42.650 23.350 1.00 0.00 O +ATOM 6276 HW1 SOL 1568 13.310 42.920 22.660 1.00 0.00 H +ATOM 6277 HW2 SOL 1568 13.130 41.920 23.790 1.00 0.00 H +ATOM 6278 OW SOL 1569 42.650 24.590 5.310 1.00 0.00 O +ATOM 6279 HW1 SOL 1569 43.320 24.180 4.760 1.00 0.00 H +ATOM 6280 HW2 SOL 1569 42.150 25.130 4.710 1.00 0.00 H +ATOM 6281 OW SOL 1570 53.920 51.450 16.840 1.00 0.00 O +ATOM 6282 HW1 SOL 1570 54.320 51.490 15.970 1.00 0.00 H +ATOM 6283 HW2 SOL 1570 53.670 52.360 17.030 1.00 0.00 H +ATOM 6284 OW SOL 1571 39.580 14.860 23.540 1.00 0.00 O +ATOM 6285 HW1 SOL 1571 39.060 15.460 23.000 1.00 0.00 H +ATOM 6286 HW2 SOL 1571 39.000 14.650 24.280 1.00 0.00 H +ATOM 6287 OW SOL 1572 28.470 42.410 46.040 1.00 0.00 O +ATOM 6288 HW1 SOL 1572 27.580 42.750 46.040 1.00 0.00 H +ATOM 6289 HW2 SOL 1572 28.420 41.600 46.540 1.00 0.00 H +ATOM 6290 OW SOL 1573 10.650 52.860 28.070 1.00 0.00 O +ATOM 6291 HW1 SOL 1573 10.380 53.250 27.240 1.00 0.00 H +ATOM 6292 HW2 SOL 1573 11.600 52.900 28.070 1.00 0.00 H +ATOM 6293 OW SOL 1574 40.920 15.190 33.730 1.00 0.00 O +ATOM 6294 HW1 SOL 1574 40.220 14.600 34.030 1.00 0.00 H +ATOM 6295 HW2 SOL 1574 41.390 14.680 33.070 1.00 0.00 H +ATOM 6296 OW SOL 1575 42.860 44.800 5.880 1.00 0.00 O +ATOM 6297 HW1 SOL 1575 41.910 44.890 5.800 1.00 0.00 H +ATOM 6298 HW2 SOL 1575 43.110 44.240 5.150 1.00 0.00 H +ATOM 6299 OW SOL 1576 13.860 25.820 37.270 1.00 0.00 O +ATOM 6300 HW1 SOL 1576 14.250 25.280 36.580 1.00 0.00 H +ATOM 6301 HW2 SOL 1576 12.920 25.670 37.180 1.00 0.00 H +ATOM 6302 OW SOL 1577 2.450 41.130 29.610 1.00 0.00 O +ATOM 6303 HW1 SOL 1577 2.010 41.250 28.760 1.00 0.00 H +ATOM 6304 HW2 SOL 1577 1.980 41.720 30.200 1.00 0.00 H +ATOM 6305 OW SOL 1578 13.390 5.300 53.280 1.00 0.00 O +ATOM 6306 HW1 SOL 1578 12.610 5.350 52.730 1.00 0.00 H +ATOM 6307 HW2 SOL 1578 13.050 5.370 54.170 1.00 0.00 H +ATOM 6308 OW SOL 1579 38.300 4.550 13.810 1.00 0.00 O +ATOM 6309 HW1 SOL 1579 38.250 4.220 14.700 1.00 0.00 H +ATOM 6310 HW2 SOL 1579 38.580 5.460 13.910 1.00 0.00 H +ATOM 6311 OW SOL 1580 15.490 18.570 17.980 1.00 0.00 O +ATOM 6312 HW1 SOL 1580 16.410 18.750 17.790 1.00 0.00 H +ATOM 6313 HW2 SOL 1580 15.040 18.720 17.150 1.00 0.00 H +ATOM 6314 OW SOL 1581 45.890 7.550 51.290 1.00 0.00 O +ATOM 6315 HW1 SOL 1581 46.410 8.360 51.320 1.00 0.00 H +ATOM 6316 HW2 SOL 1581 45.540 7.470 52.180 1.00 0.00 H +ATOM 6317 OW SOL 1582 55.690 58.900 40.890 1.00 0.00 O +ATOM 6318 HW1 SOL 1582 55.960 58.250 41.550 1.00 0.00 H +ATOM 6319 HW2 SOL 1582 56.280 58.750 40.160 1.00 0.00 H +ATOM 6320 OW SOL 1583 40.440 42.250 44.580 1.00 0.00 O +ATOM 6321 HW1 SOL 1583 40.760 42.110 43.690 1.00 0.00 H +ATOM 6322 HW2 SOL 1583 41.110 42.790 45.000 1.00 0.00 H +ATOM 6323 OW SOL 1584 36.520 34.830 15.300 1.00 0.00 O +ATOM 6324 HW1 SOL 1584 36.900 33.960 15.400 1.00 0.00 H +ATOM 6325 HW2 SOL 1584 36.300 35.110 16.190 1.00 0.00 H +ATOM 6326 OW SOL 1585 12.140 14.760 13.900 1.00 0.00 O +ATOM 6327 HW1 SOL 1585 12.100 14.260 14.710 1.00 0.00 H +ATOM 6328 HW2 SOL 1585 11.610 15.540 14.070 1.00 0.00 H +ATOM 6329 OW SOL 1586 47.530 29.650 19.040 1.00 0.00 O +ATOM 6330 HW1 SOL 1586 48.270 29.490 18.450 1.00 0.00 H +ATOM 6331 HW2 SOL 1586 47.740 30.490 19.470 1.00 0.00 H +ATOM 6332 OW SOL 1587 64.130 16.970 29.600 1.00 0.00 O +ATOM 6333 HW1 SOL 1587 64.380 16.050 29.630 1.00 0.00 H +ATOM 6334 HW2 SOL 1587 63.950 17.190 30.520 1.00 0.00 H +ATOM 6335 OW SOL 1588 43.430 54.900 21.730 1.00 0.00 O +ATOM 6336 HW1 SOL 1588 44.170 55.150 21.180 1.00 0.00 H +ATOM 6337 HW2 SOL 1588 43.190 54.020 21.440 1.00 0.00 H +ATOM 6338 OW SOL 1589 41.670 15.760 22.350 1.00 0.00 O +ATOM 6339 HW1 SOL 1589 41.050 15.530 23.050 1.00 0.00 H +ATOM 6340 HW2 SOL 1589 42.260 16.400 22.750 1.00 0.00 H +ATOM 6341 OW SOL 1590 22.010 58.480 44.630 1.00 0.00 O +ATOM 6342 HW1 SOL 1590 21.400 57.970 44.110 1.00 0.00 H +ATOM 6343 HW2 SOL 1590 21.570 58.580 45.480 1.00 0.00 H +ATOM 6344 OW SOL 1591 1.540 46.100 45.700 1.00 0.00 O +ATOM 6345 HW1 SOL 1591 0.990 46.390 44.980 1.00 0.00 H +ATOM 6346 HW2 SOL 1591 2.250 45.620 45.290 1.00 0.00 H +ATOM 6347 OW SOL 1592 27.730 22.960 34.680 1.00 0.00 O +ATOM 6348 HW1 SOL 1592 28.430 23.550 34.410 1.00 0.00 H +ATOM 6349 HW2 SOL 1592 28.050 22.560 35.490 1.00 0.00 H +ATOM 6350 OW SOL 1593 64.020 38.960 7.370 1.00 0.00 O +ATOM 6351 HW1 SOL 1593 63.510 38.510 6.690 1.00 0.00 H +ATOM 6352 HW2 SOL 1593 63.440 39.650 7.680 1.00 0.00 H +ATOM 6353 OW SOL 1594 5.970 18.560 37.420 1.00 0.00 O +ATOM 6354 HW1 SOL 1594 5.300 18.220 38.020 1.00 0.00 H +ATOM 6355 HW2 SOL 1594 5.510 18.690 36.590 1.00 0.00 H +ATOM 6356 OW SOL 1595 35.040 26.130 39.810 1.00 0.00 O +ATOM 6357 HW1 SOL 1595 35.120 26.480 40.700 1.00 0.00 H +ATOM 6358 HW2 SOL 1595 34.210 26.490 39.490 1.00 0.00 H +ATOM 6359 OW SOL 1596 0.110 40.390 39.800 1.00 0.00 O +ATOM 6360 HW1 SOL 1596 -0.200 40.050 40.640 1.00 0.00 H +ATOM 6361 HW2 SOL 1596 0.890 40.900 40.010 1.00 0.00 H +ATOM 6362 OW SOL 1597 41.100 30.050 44.400 1.00 0.00 O +ATOM 6363 HW1 SOL 1597 40.790 29.270 43.940 1.00 0.00 H +ATOM 6364 HW2 SOL 1597 40.350 30.370 44.890 1.00 0.00 H +ATOM 6365 OW SOL 1598 48.990 18.380 11.020 1.00 0.00 O +ATOM 6366 HW1 SOL 1598 49.390 18.480 11.890 1.00 0.00 H +ATOM 6367 HW2 SOL 1598 48.210 18.940 11.060 1.00 0.00 H +ATOM 6368 OW SOL 1599 11.430 1.920 38.890 1.00 0.00 O +ATOM 6369 HW1 SOL 1599 12.180 1.360 39.080 1.00 0.00 H +ATOM 6370 HW2 SOL 1599 11.590 2.720 39.380 1.00 0.00 H +ATOM 6371 OW SOL 1600 12.870 19.660 29.580 1.00 0.00 O +ATOM 6372 HW1 SOL 1600 12.530 19.470 30.460 1.00 0.00 H +ATOM 6373 HW2 SOL 1600 12.380 19.080 29.000 1.00 0.00 H +ATOM 6374 OW SOL 1601 3.250 16.390 28.500 1.00 0.00 O +ATOM 6375 HW1 SOL 1601 3.430 16.250 27.570 1.00 0.00 H +ATOM 6376 HW2 SOL 1601 2.480 16.970 28.510 1.00 0.00 H +ATOM 6377 OW SOL 1602 29.220 30.030 41.950 1.00 0.00 O +ATOM 6378 HW1 SOL 1602 29.440 30.880 41.570 1.00 0.00 H +ATOM 6379 HW2 SOL 1602 29.150 30.190 42.890 1.00 0.00 H +ATOM 6380 OW SOL 1603 34.970 45.780 45.640 1.00 0.00 O +ATOM 6381 HW1 SOL 1603 34.290 46.450 45.710 1.00 0.00 H +ATOM 6382 HW2 SOL 1603 34.500 44.960 45.510 1.00 0.00 H +ATOM 6383 OW SOL 1604 20.250 8.020 30.110 1.00 0.00 O +ATOM 6384 HW1 SOL 1604 20.190 8.830 29.600 1.00 0.00 H +ATOM 6385 HW2 SOL 1604 19.850 7.360 29.540 1.00 0.00 H +ATOM 6386 OW SOL 1605 46.850 8.930 15.050 1.00 0.00 O +ATOM 6387 HW1 SOL 1605 46.480 8.760 14.190 1.00 0.00 H +ATOM 6388 HW2 SOL 1605 46.160 9.390 15.530 1.00 0.00 H +ATOM 6389 OW SOL 1606 39.910 10.360 35.190 1.00 0.00 O +ATOM 6390 HW1 SOL 1606 39.280 9.920 35.750 1.00 0.00 H +ATOM 6391 HW2 SOL 1606 40.760 10.070 35.520 1.00 0.00 H +ATOM 6392 OW SOL 1607 10.790 49.020 52.340 1.00 0.00 O +ATOM 6393 HW1 SOL 1607 10.880 49.700 53.020 1.00 0.00 H +ATOM 6394 HW2 SOL 1607 10.290 49.450 51.640 1.00 0.00 H +ATOM 6395 OW SOL 1608 32.790 2.240 44.310 1.00 0.00 O +ATOM 6396 HW1 SOL 1608 32.620 1.920 45.200 1.00 0.00 H +ATOM 6397 HW2 SOL 1608 33.680 1.940 44.110 1.00 0.00 H +ATOM 6398 OW SOL 1609 54.530 19.380 5.920 1.00 0.00 O +ATOM 6399 HW1 SOL 1609 54.520 20.290 6.220 1.00 0.00 H +ATOM 6400 HW2 SOL 1609 54.960 18.900 6.620 1.00 0.00 H +ATOM 6401 OW SOL 1610 51.900 34.410 25.190 1.00 0.00 O +ATOM 6402 HW1 SOL 1610 51.340 33.920 24.590 1.00 0.00 H +ATOM 6403 HW2 SOL 1610 52.210 33.750 25.820 1.00 0.00 H +ATOM 6404 OW SOL 1611 39.900 12.540 20.760 1.00 0.00 O +ATOM 6405 HW1 SOL 1611 40.000 13.470 20.960 1.00 0.00 H +ATOM 6406 HW2 SOL 1611 39.620 12.520 19.850 1.00 0.00 H +ATOM 6407 OW SOL 1612 41.990 12.900 43.420 1.00 0.00 O +ATOM 6408 HW1 SOL 1612 42.300 12.230 42.810 1.00 0.00 H +ATOM 6409 HW2 SOL 1612 42.430 12.680 44.250 1.00 0.00 H +ATOM 6410 OW SOL 1613 5.670 61.140 4.040 1.00 0.00 O +ATOM 6411 HW1 SOL 1613 4.830 61.280 3.600 1.00 0.00 H +ATOM 6412 HW2 SOL 1613 5.450 60.660 4.830 1.00 0.00 H +ATOM 6413 OW SOL 1614 9.490 20.540 12.670 1.00 0.00 O +ATOM 6414 HW1 SOL 1614 9.690 19.800 12.100 1.00 0.00 H +ATOM 6415 HW2 SOL 1614 9.410 21.290 12.080 1.00 0.00 H +ATOM 6416 OW SOL 1615 42.590 34.440 14.690 1.00 0.00 O +ATOM 6417 HW1 SOL 1615 42.710 33.490 14.690 1.00 0.00 H +ATOM 6418 HW2 SOL 1615 43.290 34.770 14.130 1.00 0.00 H +ATOM 6419 OW SOL 1616 34.450 31.590 21.130 1.00 0.00 O +ATOM 6420 HW1 SOL 1616 35.000 32.350 20.940 1.00 0.00 H +ATOM 6421 HW2 SOL 1616 33.760 31.620 20.470 1.00 0.00 H +ATOM 6422 OW SOL 1617 11.550 21.730 16.160 1.00 0.00 O +ATOM 6423 HW1 SOL 1617 11.530 20.970 15.570 1.00 0.00 H +ATOM 6424 HW2 SOL 1617 10.710 21.680 16.630 1.00 0.00 H +ATOM 6425 OW SOL 1618 46.280 42.330 30.930 1.00 0.00 O +ATOM 6426 HW1 SOL 1618 46.060 41.510 31.360 1.00 0.00 H +ATOM 6427 HW2 SOL 1618 46.900 42.080 30.240 1.00 0.00 H +ATOM 6428 OW SOL 1619 59.950 22.750 26.910 1.00 0.00 O +ATOM 6429 HW1 SOL 1619 60.000 22.570 25.970 1.00 0.00 H +ATOM 6430 HW2 SOL 1619 60.430 22.030 27.320 1.00 0.00 H +ATOM 6431 OW SOL 1620 9.840 32.370 3.600 1.00 0.00 O +ATOM 6432 HW1 SOL 1620 10.680 31.980 3.360 1.00 0.00 H +ATOM 6433 HW2 SOL 1620 9.920 33.290 3.330 1.00 0.00 H +ATOM 6434 OW SOL 1621 24.130 18.890 14.450 1.00 0.00 O +ATOM 6435 HW1 SOL 1621 24.760 19.610 14.520 1.00 0.00 H +ATOM 6436 HW2 SOL 1621 24.640 18.160 14.100 1.00 0.00 H +ATOM 6437 OW SOL 1622 38.690 34.840 17.510 1.00 0.00 O +ATOM 6438 HW1 SOL 1622 38.230 35.380 16.870 1.00 0.00 H +ATOM 6439 HW2 SOL 1622 38.780 35.400 18.280 1.00 0.00 H +ATOM 6440 OW SOL 1623 45.450 52.880 11.280 1.00 0.00 O +ATOM 6441 HW1 SOL 1623 45.090 52.540 10.460 1.00 0.00 H +ATOM 6442 HW2 SOL 1623 44.730 53.400 11.650 1.00 0.00 H +ATOM 6443 OW SOL 1624 58.570 10.140 38.260 1.00 0.00 O +ATOM 6444 HW1 SOL 1624 59.180 9.410 38.350 1.00 0.00 H +ATOM 6445 HW2 SOL 1624 58.470 10.270 37.320 1.00 0.00 H +ATOM 6446 OW SOL 1625 25.170 31.260 31.170 1.00 0.00 O +ATOM 6447 HW1 SOL 1625 24.790 30.680 31.820 1.00 0.00 H +ATOM 6448 HW2 SOL 1625 24.430 31.710 30.770 1.00 0.00 H +ATOM 6449 OW SOL 1626 55.520 19.450 47.780 1.00 0.00 O +ATOM 6450 HW1 SOL 1626 56.190 20.130 47.690 1.00 0.00 H +ATOM 6451 HW2 SOL 1626 54.880 19.830 48.380 1.00 0.00 H +ATOM 6452 OW SOL 1627 52.240 46.500 20.150 1.00 0.00 O +ATOM 6453 HW1 SOL 1627 52.840 46.750 20.850 1.00 0.00 H +ATOM 6454 HW2 SOL 1627 51.670 45.850 20.560 1.00 0.00 H +ATOM 6455 OW SOL 1628 50.250 61.740 45.180 1.00 0.00 O +ATOM 6456 HW1 SOL 1628 49.770 61.650 44.360 1.00 0.00 H +ATOM 6457 HW2 SOL 1628 49.830 61.110 45.770 1.00 0.00 H +ATOM 6458 OW SOL 1629 29.060 21.370 49.730 1.00 0.00 O +ATOM 6459 HW1 SOL 1629 29.390 21.160 48.860 1.00 0.00 H +ATOM 6460 HW2 SOL 1629 29.590 20.850 50.330 1.00 0.00 H +ATOM 6461 OW SOL 1630 64.750 19.540 21.180 1.00 0.00 O +ATOM 6462 HW1 SOL 1630 64.500 19.660 20.270 1.00 0.00 H +ATOM 6463 HW2 SOL 1630 65.700 19.490 21.170 1.00 0.00 H +ATOM 6464 OW SOL 1631 10.300 57.250 21.370 1.00 0.00 O +ATOM 6465 HW1 SOL 1631 10.840 56.510 21.090 1.00 0.00 H +ATOM 6466 HW2 SOL 1631 9.870 57.540 20.570 1.00 0.00 H +ATOM 6467 OW SOL 1632 45.750 9.650 33.080 1.00 0.00 O +ATOM 6468 HW1 SOL 1632 44.910 9.180 33.130 1.00 0.00 H +ATOM 6469 HW2 SOL 1632 45.490 10.560 32.930 1.00 0.00 H +ATOM 6470 OW SOL 1633 25.770 2.110 10.540 1.00 0.00 O +ATOM 6471 HW1 SOL 1633 25.370 1.380 10.070 1.00 0.00 H +ATOM 6472 HW2 SOL 1633 26.560 2.320 10.040 1.00 0.00 H +ATOM 6473 OW SOL 1634 20.480 10.370 41.830 1.00 0.00 O +ATOM 6474 HW1 SOL 1634 20.890 10.660 41.010 1.00 0.00 H +ATOM 6475 HW2 SOL 1634 19.720 10.940 41.940 1.00 0.00 H +ATOM 6476 OW SOL 1635 44.900 0.420 51.480 1.00 0.00 O +ATOM 6477 HW1 SOL 1635 44.390 0.970 52.080 1.00 0.00 H +ATOM 6478 HW2 SOL 1635 45.790 0.770 51.540 1.00 0.00 H +ATOM 6479 OW SOL 1636 20.850 12.330 6.620 1.00 0.00 O +ATOM 6480 HW1 SOL 1636 20.830 12.490 5.670 1.00 0.00 H +ATOM 6481 HW2 SOL 1636 20.900 13.210 7.000 1.00 0.00 H +ATOM 6482 OW SOL 1637 40.910 28.300 13.570 1.00 0.00 O +ATOM 6483 HW1 SOL 1637 41.680 27.930 13.150 1.00 0.00 H +ATOM 6484 HW2 SOL 1637 40.170 28.010 13.030 1.00 0.00 H +ATOM 6485 OW SOL 1638 22.730 8.700 42.820 1.00 0.00 O +ATOM 6486 HW1 SOL 1638 22.300 9.360 42.280 1.00 0.00 H +ATOM 6487 HW2 SOL 1638 22.060 8.030 42.960 1.00 0.00 H +ATOM 6488 OW SOL 1639 48.850 43.360 33.590 1.00 0.00 O +ATOM 6489 HW1 SOL 1639 49.720 43.750 33.660 1.00 0.00 H +ATOM 6490 HW2 SOL 1639 48.270 44.090 33.380 1.00 0.00 H +ATOM 6491 OW SOL 1640 54.300 47.270 49.240 1.00 0.00 O +ATOM 6492 HW1 SOL 1640 53.700 46.840 48.630 1.00 0.00 H +ATOM 6493 HW2 SOL 1640 55.080 47.440 48.720 1.00 0.00 H +ATOM 6494 OW SOL 1641 56.810 41.670 37.820 1.00 0.00 O +ATOM 6495 HW1 SOL 1641 57.580 42.110 38.180 1.00 0.00 H +ATOM 6496 HW2 SOL 1641 56.790 40.830 38.270 1.00 0.00 H +ATOM 6497 OW SOL 1642 10.920 16.690 51.270 1.00 0.00 O +ATOM 6498 HW1 SOL 1642 11.500 17.060 50.600 1.00 0.00 H +ATOM 6499 HW2 SOL 1642 10.880 17.370 51.940 1.00 0.00 H +ATOM 6500 OW SOL 1643 40.850 35.190 36.150 1.00 0.00 O +ATOM 6501 HW1 SOL 1643 40.870 35.020 37.100 1.00 0.00 H +ATOM 6502 HW2 SOL 1643 40.390 36.030 36.080 1.00 0.00 H +ATOM 6503 OW SOL 1644 61.560 25.080 27.370 1.00 0.00 O +ATOM 6504 HW1 SOL 1644 60.900 24.440 27.630 1.00 0.00 H +ATOM 6505 HW2 SOL 1644 62.180 25.100 28.100 1.00 0.00 H +ATOM 6506 OW SOL 1645 21.280 56.250 9.050 1.00 0.00 O +ATOM 6507 HW1 SOL 1645 20.710 55.640 8.570 1.00 0.00 H +ATOM 6508 HW2 SOL 1645 20.870 57.110 8.930 1.00 0.00 H +ATOM 6509 OW SOL 1646 2.680 31.260 10.160 1.00 0.00 O +ATOM 6510 HW1 SOL 1646 2.450 30.370 10.410 1.00 0.00 H +ATOM 6511 HW2 SOL 1646 2.790 31.220 9.210 1.00 0.00 H +ATOM 6512 OW SOL 1647 56.000 59.990 50.950 1.00 0.00 O +ATOM 6513 HW1 SOL 1647 55.850 60.410 51.800 1.00 0.00 H +ATOM 6514 HW2 SOL 1647 55.140 60.010 50.530 1.00 0.00 H +ATOM 6515 OW SOL 1648 48.560 32.720 33.930 1.00 0.00 O +ATOM 6516 HW1 SOL 1648 47.810 32.410 33.430 1.00 0.00 H +ATOM 6517 HW2 SOL 1648 48.420 33.660 34.020 1.00 0.00 H +ATOM 6518 OW SOL 1649 62.330 6.540 37.550 1.00 0.00 O +ATOM 6519 HW1 SOL 1649 62.450 6.450 36.610 1.00 0.00 H +ATOM 6520 HW2 SOL 1649 62.420 5.650 37.900 1.00 0.00 H +ATOM 6521 OW SOL 1650 52.050 24.850 2.570 1.00 0.00 O +ATOM 6522 HW1 SOL 1650 51.160 24.830 2.920 1.00 0.00 H +ATOM 6523 HW2 SOL 1650 51.940 24.900 1.620 1.00 0.00 H +ATOM 6524 OW SOL 1651 52.770 30.980 10.930 1.00 0.00 O +ATOM 6525 HW1 SOL 1651 53.730 30.980 10.960 1.00 0.00 H +ATOM 6526 HW2 SOL 1651 52.560 30.640 10.060 1.00 0.00 H +ATOM 6527 OW SOL 1652 36.570 9.220 2.230 1.00 0.00 O +ATOM 6528 HW1 SOL 1652 37.280 9.610 2.730 1.00 0.00 H +ATOM 6529 HW2 SOL 1652 35.790 9.330 2.790 1.00 0.00 H +ATOM 6530 OW SOL 1653 58.070 13.540 35.710 1.00 0.00 O +ATOM 6531 HW1 SOL 1653 57.890 14.250 35.090 1.00 0.00 H +ATOM 6532 HW2 SOL 1653 57.520 13.730 36.460 1.00 0.00 H +ATOM 6533 OW SOL 1654 1.940 33.000 31.130 1.00 0.00 O +ATOM 6534 HW1 SOL 1654 1.990 32.080 30.890 1.00 0.00 H +ATOM 6535 HW2 SOL 1654 2.070 33.010 32.080 1.00 0.00 H +ATOM 6536 OW SOL 1655 13.910 28.800 28.940 1.00 0.00 O +ATOM 6537 HW1 SOL 1655 14.530 28.950 29.650 1.00 0.00 H +ATOM 6538 HW2 SOL 1655 14.250 29.310 28.200 1.00 0.00 H +ATOM 6539 OW SOL 1656 21.220 24.050 27.000 1.00 0.00 O +ATOM 6540 HW1 SOL 1656 20.590 23.890 27.690 1.00 0.00 H +ATOM 6541 HW2 SOL 1656 20.990 24.910 26.660 1.00 0.00 H +ATOM 6542 OW SOL 1657 5.500 30.290 39.620 1.00 0.00 O +ATOM 6543 HW1 SOL 1657 5.100 29.450 39.860 1.00 0.00 H +ATOM 6544 HW2 SOL 1657 4.970 30.600 38.890 1.00 0.00 H +ATOM 6545 OW SOL 1658 53.150 41.500 26.610 1.00 0.00 O +ATOM 6546 HW1 SOL 1658 53.600 41.110 27.350 1.00 0.00 H +ATOM 6547 HW2 SOL 1658 52.400 40.920 26.450 1.00 0.00 H +ATOM 6548 OW SOL 1659 9.800 30.770 16.050 1.00 0.00 O +ATOM 6549 HW1 SOL 1659 10.760 30.770 16.040 1.00 0.00 H +ATOM 6550 HW2 SOL 1659 9.550 31.490 15.470 1.00 0.00 H +ATOM 6551 OW SOL 1660 6.740 12.500 51.160 1.00 0.00 O +ATOM 6552 HW1 SOL 1660 5.880 12.350 50.770 1.00 0.00 H +ATOM 6553 HW2 SOL 1660 7.230 11.700 50.970 1.00 0.00 H +ATOM 6554 OW SOL 1661 7.790 40.660 8.600 1.00 0.00 O +ATOM 6555 HW1 SOL 1661 7.600 41.590 8.490 1.00 0.00 H +ATOM 6556 HW2 SOL 1661 8.740 40.640 8.750 1.00 0.00 H +ATOM 6557 OW SOL 1662 21.760 27.250 36.820 1.00 0.00 O +ATOM 6558 HW1 SOL 1662 22.610 27.550 36.500 1.00 0.00 H +ATOM 6559 HW2 SOL 1662 21.770 26.310 36.670 1.00 0.00 H +ATOM 6560 OW SOL 1663 28.820 8.720 14.090 1.00 0.00 O +ATOM 6561 HW1 SOL 1663 29.030 8.290 14.930 1.00 0.00 H +ATOM 6562 HW2 SOL 1663 29.620 9.200 13.870 1.00 0.00 H +ATOM 6563 OW SOL 1664 8.380 5.700 0.120 1.00 0.00 O +ATOM 6564 HW1 SOL 1664 8.230 5.500 1.050 1.00 0.00 H +ATOM 6565 HW2 SOL 1664 8.170 4.890 -0.340 1.00 0.00 H +ATOM 6566 OW SOL 1665 18.000 12.720 12.330 1.00 0.00 O +ATOM 6567 HW1 SOL 1665 17.760 12.030 12.950 1.00 0.00 H +ATOM 6568 HW2 SOL 1665 18.940 12.600 12.200 1.00 0.00 H +ATOM 6569 OW SOL 1666 22.900 21.460 29.530 1.00 0.00 O +ATOM 6570 HW1 SOL 1666 23.400 22.270 29.470 1.00 0.00 H +ATOM 6571 HW2 SOL 1666 22.440 21.390 28.700 1.00 0.00 H +ATOM 6572 OW SOL 1667 4.730 36.680 12.920 1.00 0.00 O +ATOM 6573 HW1 SOL 1667 4.290 36.720 12.070 1.00 0.00 H +ATOM 6574 HW2 SOL 1667 4.780 35.740 13.120 1.00 0.00 H +ATOM 6575 OW SOL 1668 10.190 56.220 0.220 1.00 0.00 O +ATOM 6576 HW1 SOL 1668 11.040 55.790 0.120 1.00 0.00 H +ATOM 6577 HW2 SOL 1668 10.410 57.110 0.480 1.00 0.00 H +ATOM 6578 OW SOL 1669 7.880 28.040 33.180 1.00 0.00 O +ATOM 6579 HW1 SOL 1669 8.290 27.620 32.420 1.00 0.00 H +ATOM 6580 HW2 SOL 1669 8.320 28.880 33.260 1.00 0.00 H +ATOM 6581 OW SOL 1670 1.190 18.690 7.970 1.00 0.00 O +ATOM 6582 HW1 SOL 1670 2.040 19.110 8.110 1.00 0.00 H +ATOM 6583 HW2 SOL 1670 1.270 17.830 8.370 1.00 0.00 H +ATOM 6584 OW SOL 1671 39.480 16.580 3.620 1.00 0.00 O +ATOM 6585 HW1 SOL 1671 39.750 17.490 3.630 1.00 0.00 H +ATOM 6586 HW2 SOL 1671 39.000 16.460 4.440 1.00 0.00 H +ATOM 6587 OW SOL 1672 9.930 33.570 32.140 1.00 0.00 O +ATOM 6588 HW1 SOL 1672 9.290 33.410 31.440 1.00 0.00 H +ATOM 6589 HW2 SOL 1672 9.570 34.310 32.630 1.00 0.00 H +ATOM 6590 OW SOL 1673 39.110 23.910 33.860 1.00 0.00 O +ATOM 6591 HW1 SOL 1673 39.380 24.030 32.950 1.00 0.00 H +ATOM 6592 HW2 SOL 1673 38.150 23.820 33.810 1.00 0.00 H +ATOM 6593 OW SOL 1674 59.590 37.090 3.370 1.00 0.00 O +ATOM 6594 HW1 SOL 1674 59.600 36.730 4.250 1.00 0.00 H +ATOM 6595 HW2 SOL 1674 60.250 36.590 2.890 1.00 0.00 H +ATOM 6596 OW SOL 1675 4.060 22.540 9.410 1.00 0.00 O +ATOM 6597 HW1 SOL 1675 3.720 21.870 10.000 1.00 0.00 H +ATOM 6598 HW2 SOL 1675 3.310 23.120 9.260 1.00 0.00 H +ATOM 6599 OW SOL 1676 34.300 25.800 6.560 1.00 0.00 O +ATOM 6600 HW1 SOL 1676 33.630 25.490 7.160 1.00 0.00 H +ATOM 6601 HW2 SOL 1676 35.000 25.150 6.640 1.00 0.00 H +ATOM 6602 OW SOL 1677 8.950 10.530 41.120 1.00 0.00 O +ATOM 6603 HW1 SOL 1677 8.390 9.860 41.510 1.00 0.00 H +ATOM 6604 HW2 SOL 1677 8.350 11.080 40.620 1.00 0.00 H +ATOM 6605 OW SOL 1678 34.620 20.780 45.060 1.00 0.00 O +ATOM 6606 HW1 SOL 1678 35.140 21.480 45.440 1.00 0.00 H +ATOM 6607 HW2 SOL 1678 34.630 20.960 44.120 1.00 0.00 H +ATOM 6608 OW SOL 1679 19.500 15.750 34.190 1.00 0.00 O +ATOM 6609 HW1 SOL 1679 18.550 15.810 34.120 1.00 0.00 H +ATOM 6610 HW2 SOL 1679 19.690 15.940 35.110 1.00 0.00 H +ATOM 6611 OW SOL 1680 52.350 40.950 1.490 1.00 0.00 O +ATOM 6612 HW1 SOL 1680 53.040 41.530 1.820 1.00 0.00 H +ATOM 6613 HW2 SOL 1680 51.840 40.720 2.280 1.00 0.00 H +ATOM 6614 OW SOL 1681 54.990 29.880 15.040 1.00 0.00 O +ATOM 6615 HW1 SOL 1681 54.800 30.750 14.700 1.00 0.00 H +ATOM 6616 HW2 SOL 1681 54.250 29.340 14.750 1.00 0.00 H +ATOM 6617 OW SOL 1682 62.840 31.940 12.060 1.00 0.00 O +ATOM 6618 HW1 SOL 1682 63.470 32.580 11.750 1.00 0.00 H +ATOM 6619 HW2 SOL 1682 62.860 31.240 11.410 1.00 0.00 H +ATOM 6620 OW SOL 1683 34.170 15.600 43.290 1.00 0.00 O +ATOM 6621 HW1 SOL 1683 33.220 15.510 43.190 1.00 0.00 H +ATOM 6622 HW2 SOL 1683 34.330 16.540 43.190 1.00 0.00 H +ATOM 6623 OW SOL 1684 4.460 28.850 33.000 1.00 0.00 O +ATOM 6624 HW1 SOL 1684 5.130 28.410 32.490 1.00 0.00 H +ATOM 6625 HW2 SOL 1684 4.130 28.190 33.610 1.00 0.00 H +ATOM 6626 OW SOL 1685 15.140 53.170 30.070 1.00 0.00 O +ATOM 6627 HW1 SOL 1685 14.600 52.400 30.280 1.00 0.00 H +ATOM 6628 HW2 SOL 1685 15.480 52.980 29.200 1.00 0.00 H +ATOM 6629 OW SOL 1686 38.090 55.230 38.470 1.00 0.00 O +ATOM 6630 HW1 SOL 1686 37.580 55.240 37.660 1.00 0.00 H +ATOM 6631 HW2 SOL 1686 39.000 55.210 38.170 1.00 0.00 H +ATOM 6632 OW SOL 1687 51.480 1.180 19.690 1.00 0.00 O +ATOM 6633 HW1 SOL 1687 52.150 1.820 19.910 1.00 0.00 H +ATOM 6634 HW2 SOL 1687 50.770 1.690 19.310 1.00 0.00 H +ATOM 6635 OW SOL 1688 1.430 16.040 9.210 1.00 0.00 O +ATOM 6636 HW1 SOL 1688 1.840 15.240 8.880 1.00 0.00 H +ATOM 6637 HW2 SOL 1688 0.820 15.740 9.890 1.00 0.00 H +ATOM 6638 OW SOL 1689 38.310 58.720 6.980 1.00 0.00 O +ATOM 6639 HW1 SOL 1689 37.620 58.190 7.370 1.00 0.00 H +ATOM 6640 HW2 SOL 1689 39.120 58.290 7.250 1.00 0.00 H +ATOM 6641 OW SOL 1690 22.320 44.230 10.330 1.00 0.00 O +ATOM 6642 HW1 SOL 1690 21.570 44.650 10.760 1.00 0.00 H +ATOM 6643 HW2 SOL 1690 22.430 44.730 9.520 1.00 0.00 H +ATOM 6644 OW SOL 1691 0.460 1.060 46.830 1.00 0.00 O +ATOM 6645 HW1 SOL 1691 1.310 0.710 46.580 1.00 0.00 H +ATOM 6646 HW2 SOL 1691 0.190 1.600 46.090 1.00 0.00 H +ATOM 6647 OW SOL 1692 27.060 47.270 52.850 1.00 0.00 O +ATOM 6648 HW1 SOL 1692 27.870 47.460 53.320 1.00 0.00 H +ATOM 6649 HW2 SOL 1692 27.260 46.480 52.340 1.00 0.00 H +ATOM 6650 OW SOL 1693 23.090 1.950 15.310 1.00 0.00 O +ATOM 6651 HW1 SOL 1693 23.560 1.310 15.830 1.00 0.00 H +ATOM 6652 HW2 SOL 1693 23.400 1.800 14.410 1.00 0.00 H +ATOM 6653 OW SOL 1694 57.200 39.500 48.400 1.00 0.00 O +ATOM 6654 HW1 SOL 1694 56.910 40.210 47.820 1.00 0.00 H +ATOM 6655 HW2 SOL 1694 56.880 38.700 47.970 1.00 0.00 H +ATOM 6656 OW SOL 1695 19.130 45.820 15.340 1.00 0.00 O +ATOM 6657 HW1 SOL 1695 18.210 45.590 15.190 1.00 0.00 H +ATOM 6658 HW2 SOL 1695 19.280 46.590 14.790 1.00 0.00 H +ATOM 6659 OW SOL 1696 1.140 36.250 27.490 1.00 0.00 O +ATOM 6660 HW1 SOL 1696 0.860 36.730 26.710 1.00 0.00 H +ATOM 6661 HW2 SOL 1696 1.720 36.850 27.950 1.00 0.00 H +ATOM 6662 OW SOL 1697 45.590 53.870 6.040 1.00 0.00 O +ATOM 6663 HW1 SOL 1697 44.790 53.410 5.790 1.00 0.00 H +ATOM 6664 HW2 SOL 1697 45.810 54.390 5.270 1.00 0.00 H +ATOM 6665 OW SOL 1698 24.780 59.990 11.420 1.00 0.00 O +ATOM 6666 HW1 SOL 1698 23.900 60.070 11.790 1.00 0.00 H +ATOM 6667 HW2 SOL 1698 25.360 60.230 12.140 1.00 0.00 H +ATOM 6668 OW SOL 1699 60.460 40.610 49.990 1.00 0.00 O +ATOM 6669 HW1 SOL 1699 59.630 40.190 50.200 1.00 0.00 H +ATOM 6670 HW2 SOL 1699 60.600 40.420 49.060 1.00 0.00 H +ATOM 6671 OW SOL 1700 46.170 3.600 12.330 1.00 0.00 O +ATOM 6672 HW1 SOL 1700 45.660 3.160 11.650 1.00 0.00 H +ATOM 6673 HW2 SOL 1700 46.910 3.010 12.480 1.00 0.00 H +ATOM 6674 OW SOL 1701 4.740 33.810 13.070 1.00 0.00 O +ATOM 6675 HW1 SOL 1701 4.870 32.930 12.720 1.00 0.00 H +ATOM 6676 HW2 SOL 1701 4.050 34.190 12.520 1.00 0.00 H +ATOM 6677 OW SOL 1702 22.210 52.030 12.710 1.00 0.00 O +ATOM 6678 HW1 SOL 1702 22.430 52.790 12.170 1.00 0.00 H +ATOM 6679 HW2 SOL 1702 22.880 52.020 13.400 1.00 0.00 H +ATOM 6680 OW SOL 1703 39.970 0.330 45.960 1.00 0.00 O +ATOM 6681 HW1 SOL 1703 40.190 0.120 46.870 1.00 0.00 H +ATOM 6682 HW2 SOL 1703 40.530 1.070 45.740 1.00 0.00 H +ATOM 6683 OW SOL 1704 25.770 0.160 39.130 1.00 0.00 O +ATOM 6684 HW1 SOL 1704 25.980 0.770 39.830 1.00 0.00 H +ATOM 6685 HW2 SOL 1704 26.600 -0.260 38.910 1.00 0.00 H +ATOM 6686 OW SOL 1705 13.880 23.070 45.620 1.00 0.00 O +ATOM 6687 HW1 SOL 1705 14.240 22.990 44.740 1.00 0.00 H +ATOM 6688 HW2 SOL 1705 14.070 23.980 45.870 1.00 0.00 H +ATOM 6689 OW SOL 1706 15.610 44.910 25.450 1.00 0.00 O +ATOM 6690 HW1 SOL 1706 16.350 45.380 25.060 1.00 0.00 H +ATOM 6691 HW2 SOL 1706 15.170 45.570 25.990 1.00 0.00 H +ATOM 6692 OW SOL 1707 38.770 7.200 19.450 1.00 0.00 O +ATOM 6693 HW1 SOL 1707 39.450 6.600 19.140 1.00 0.00 H +ATOM 6694 HW2 SOL 1707 38.840 7.160 20.400 1.00 0.00 H +ATOM 6695 OW SOL 1708 54.690 59.430 34.740 1.00 0.00 O +ATOM 6696 HW1 SOL 1708 54.370 60.310 34.920 1.00 0.00 H +ATOM 6697 HW2 SOL 1708 55.480 59.560 34.220 1.00 0.00 H +ATOM 6698 OW SOL 1709 21.120 3.330 5.780 1.00 0.00 O +ATOM 6699 HW1 SOL 1709 21.570 3.570 4.980 1.00 0.00 H +ATOM 6700 HW2 SOL 1709 20.250 3.720 5.690 1.00 0.00 H +ATOM 6701 OW SOL 1710 43.150 15.640 25.870 1.00 0.00 O +ATOM 6702 HW1 SOL 1710 42.650 16.300 25.400 1.00 0.00 H +ATOM 6703 HW2 SOL 1710 42.850 14.800 25.500 1.00 0.00 H +ATOM 6704 OW SOL 1711 47.860 15.560 36.350 1.00 0.00 O +ATOM 6705 HW1 SOL 1711 47.200 14.920 36.120 1.00 0.00 H +ATOM 6706 HW2 SOL 1711 48.340 15.710 35.530 1.00 0.00 H +ATOM 6707 OW SOL 1712 9.980 37.090 43.660 1.00 0.00 O +ATOM 6708 HW1 SOL 1712 10.840 36.700 43.480 1.00 0.00 H +ATOM 6709 HW2 SOL 1712 10.140 37.700 44.370 1.00 0.00 H +ATOM 6710 OW SOL 1713 33.280 60.610 34.820 1.00 0.00 O +ATOM 6711 HW1 SOL 1713 32.340 60.600 34.640 1.00 0.00 H +ATOM 6712 HW2 SOL 1713 33.350 60.990 35.690 1.00 0.00 H +ATOM 6713 OW SOL 1714 5.660 22.780 44.900 1.00 0.00 O +ATOM 6714 HW1 SOL 1714 6.220 22.880 44.130 1.00 0.00 H +ATOM 6715 HW2 SOL 1714 5.000 22.140 44.620 1.00 0.00 H +ATOM 6716 OW SOL 1715 61.730 26.710 5.000 1.00 0.00 O +ATOM 6717 HW1 SOL 1715 62.500 27.040 5.470 1.00 0.00 H +ATOM 6718 HW2 SOL 1715 61.070 27.390 5.090 1.00 0.00 H +ATOM 6719 OW SOL 1716 25.560 28.000 11.540 1.00 0.00 O +ATOM 6720 HW1 SOL 1716 26.430 28.350 11.350 1.00 0.00 H +ATOM 6721 HW2 SOL 1716 25.110 27.970 10.700 1.00 0.00 H +ATOM 6722 OW SOL 1717 14.520 52.590 36.530 1.00 0.00 O +ATOM 6723 HW1 SOL 1717 14.770 53.470 36.250 1.00 0.00 H +ATOM 6724 HW2 SOL 1717 15.360 52.140 36.670 1.00 0.00 H +ATOM 6725 OW SOL 1718 46.240 12.800 50.420 1.00 0.00 O +ATOM 6726 HW1 SOL 1718 45.940 12.670 51.320 1.00 0.00 H +ATOM 6727 HW2 SOL 1718 45.480 13.140 49.960 1.00 0.00 H +ATOM 6728 OW SOL 1719 6.970 44.630 52.610 1.00 0.00 O +ATOM 6729 HW1 SOL 1719 7.720 44.960 53.090 1.00 0.00 H +ATOM 6730 HW2 SOL 1719 6.350 44.350 53.290 1.00 0.00 H +ATOM 6731 OW SOL 1720 35.030 5.340 39.220 1.00 0.00 O +ATOM 6732 HW1 SOL 1720 35.160 4.920 38.370 1.00 0.00 H +ATOM 6733 HW2 SOL 1720 34.200 5.000 39.530 1.00 0.00 H +ATOM 6734 OW SOL 1721 27.930 0.450 8.230 1.00 0.00 O +ATOM 6735 HW1 SOL 1721 27.950 1.290 7.780 1.00 0.00 H +ATOM 6736 HW2 SOL 1721 27.010 0.210 8.270 1.00 0.00 H +ATOM 6737 OW SOL 1722 28.530 28.980 44.620 1.00 0.00 O +ATOM 6738 HW1 SOL 1722 28.840 29.810 44.980 1.00 0.00 H +ATOM 6739 HW2 SOL 1722 27.640 28.890 44.940 1.00 0.00 H +ATOM 6740 OW SOL 1723 9.390 57.150 5.850 1.00 0.00 O +ATOM 6741 HW1 SOL 1723 9.350 57.380 4.920 1.00 0.00 H +ATOM 6742 HW2 SOL 1723 8.540 57.430 6.210 1.00 0.00 H +ATOM 6743 OW SOL 1724 22.120 29.360 24.450 1.00 0.00 O +ATOM 6744 HW1 SOL 1724 22.990 28.980 24.600 1.00 0.00 H +ATOM 6745 HW2 SOL 1724 21.580 28.610 24.210 1.00 0.00 H +ATOM 6746 OW SOL 1725 8.320 53.550 23.270 1.00 0.00 O +ATOM 6747 HW1 SOL 1725 8.150 54.470 23.460 1.00 0.00 H +ATOM 6748 HW2 SOL 1725 8.930 53.270 23.950 1.00 0.00 H +ATOM 6749 OW SOL 1726 3.960 36.950 42.610 1.00 0.00 O +ATOM 6750 HW1 SOL 1726 4.000 36.400 43.390 1.00 0.00 H +ATOM 6751 HW2 SOL 1726 3.980 36.340 41.870 1.00 0.00 H +ATOM 6752 OW SOL 1727 38.040 16.570 6.010 1.00 0.00 O +ATOM 6753 HW1 SOL 1727 37.950 15.950 6.740 1.00 0.00 H +ATOM 6754 HW2 SOL 1727 37.160 16.650 5.650 1.00 0.00 H +ATOM 6755 OW SOL 1728 27.120 25.010 10.160 1.00 0.00 O +ATOM 6756 HW1 SOL 1728 27.370 24.200 9.720 1.00 0.00 H +ATOM 6757 HW2 SOL 1728 26.230 24.860 10.480 1.00 0.00 H +ATOM 6758 OW SOL 1729 25.410 9.270 40.480 1.00 0.00 O +ATOM 6759 HW1 SOL 1729 24.650 8.810 40.120 1.00 0.00 H +ATOM 6760 HW2 SOL 1729 26.120 8.630 40.410 1.00 0.00 H +ATOM 6761 OW SOL 1730 26.790 6.600 22.940 1.00 0.00 O +ATOM 6762 HW1 SOL 1730 27.690 6.680 22.650 1.00 0.00 H +ATOM 6763 HW2 SOL 1730 26.370 6.050 22.280 1.00 0.00 H +ATOM 6764 OW SOL 1731 62.040 37.690 47.440 1.00 0.00 O +ATOM 6765 HW1 SOL 1731 61.400 37.230 47.970 1.00 0.00 H +ATOM 6766 HW2 SOL 1731 61.600 38.500 47.170 1.00 0.00 H +ATOM 6767 OW SOL 1732 38.060 53.100 52.500 1.00 0.00 O +ATOM 6768 HW1 SOL 1732 37.650 52.230 52.460 1.00 0.00 H +ATOM 6769 HW2 SOL 1732 38.500 53.120 53.350 1.00 0.00 H +ATOM 6770 OW SOL 1733 23.170 54.940 43.540 1.00 0.00 O +ATOM 6771 HW1 SOL 1733 23.220 55.490 42.760 1.00 0.00 H +ATOM 6772 HW2 SOL 1733 22.310 55.110 43.900 1.00 0.00 H +ATOM 6773 OW SOL 1734 61.770 52.580 25.050 1.00 0.00 O +ATOM 6774 HW1 SOL 1734 61.330 52.970 24.290 1.00 0.00 H +ATOM 6775 HW2 SOL 1734 62.260 51.840 24.680 1.00 0.00 H +ATOM 6776 OW SOL 1735 43.070 27.710 20.370 1.00 0.00 O +ATOM 6777 HW1 SOL 1735 42.680 26.910 20.730 1.00 0.00 H +ATOM 6778 HW2 SOL 1735 42.530 27.920 19.610 1.00 0.00 H +ATOM 6779 OW SOL 1736 17.710 2.270 7.130 1.00 0.00 O +ATOM 6780 HW1 SOL 1736 16.840 2.660 7.130 1.00 0.00 H +ATOM 6781 HW2 SOL 1736 18.060 2.460 6.260 1.00 0.00 H +ATOM 6782 OW SOL 1737 47.850 5.090 40.740 1.00 0.00 O +ATOM 6783 HW1 SOL 1737 47.600 4.170 40.800 1.00 0.00 H +ATOM 6784 HW2 SOL 1737 48.300 5.270 41.570 1.00 0.00 H +ATOM 6785 OW SOL 1738 27.340 12.720 31.120 1.00 0.00 O +ATOM 6786 HW1 SOL 1738 27.240 11.870 31.550 1.00 0.00 H +ATOM 6787 HW2 SOL 1738 26.450 13.060 31.050 1.00 0.00 H +ATOM 6788 OW SOL 1739 53.470 50.200 38.670 1.00 0.00 O +ATOM 6789 HW1 SOL 1739 52.660 49.790 38.960 1.00 0.00 H +ATOM 6790 HW2 SOL 1739 54.040 50.160 39.430 1.00 0.00 H +ATOM 6791 OW SOL 1740 19.690 60.870 43.510 1.00 0.00 O +ATOM 6792 HW1 SOL 1740 20.090 60.110 43.070 1.00 0.00 H +ATOM 6793 HW2 SOL 1740 19.050 60.490 44.110 1.00 0.00 H +ATOM 6794 OW SOL 1741 47.270 37.850 4.310 1.00 0.00 O +ATOM 6795 HW1 SOL 1741 47.550 38.600 4.830 1.00 0.00 H +ATOM 6796 HW2 SOL 1741 47.170 37.140 4.940 1.00 0.00 H +ATOM 6797 OW SOL 1742 27.380 4.070 47.380 1.00 0.00 O +ATOM 6798 HW1 SOL 1742 27.690 3.660 48.190 1.00 0.00 H +ATOM 6799 HW2 SOL 1742 26.550 4.490 47.630 1.00 0.00 H +ATOM 6800 OW SOL 1743 13.050 37.120 22.880 1.00 0.00 O +ATOM 6801 HW1 SOL 1743 12.510 37.720 22.360 1.00 0.00 H +ATOM 6802 HW2 SOL 1743 13.870 37.050 22.400 1.00 0.00 H +ATOM 6803 OW SOL 1744 15.150 40.060 2.130 1.00 0.00 O +ATOM 6804 HW1 SOL 1744 14.400 40.550 1.820 1.00 0.00 H +ATOM 6805 HW2 SOL 1744 15.830 40.210 1.480 1.00 0.00 H +ATOM 6806 OW SOL 1745 25.270 19.180 40.770 1.00 0.00 O +ATOM 6807 HW1 SOL 1745 25.480 18.260 40.940 1.00 0.00 H +ATOM 6808 HW2 SOL 1745 24.890 19.180 39.900 1.00 0.00 H +ATOM 6809 OW SOL 1746 48.710 52.000 37.670 1.00 0.00 O +ATOM 6810 HW1 SOL 1746 48.720 52.800 37.140 1.00 0.00 H +ATOM 6811 HW2 SOL 1746 49.440 52.130 38.290 1.00 0.00 H +ATOM 6812 OW SOL 1747 50.530 18.540 7.940 1.00 0.00 O +ATOM 6813 HW1 SOL 1747 50.870 19.430 7.870 1.00 0.00 H +ATOM 6814 HW2 SOL 1747 49.730 18.620 8.450 1.00 0.00 H +ATOM 6815 OW SOL 1748 27.460 20.150 6.130 1.00 0.00 O +ATOM 6816 HW1 SOL 1748 27.190 19.270 6.370 1.00 0.00 H +ATOM 6817 HW2 SOL 1748 27.020 20.730 6.750 1.00 0.00 H +ATOM 6818 OW SOL 1749 26.520 7.690 18.870 1.00 0.00 O +ATOM 6819 HW1 SOL 1749 25.780 7.880 18.290 1.00 0.00 H +ATOM 6820 HW2 SOL 1749 26.220 7.980 19.730 1.00 0.00 H +ATOM 6821 OW SOL 1750 45.920 3.340 23.330 1.00 0.00 O +ATOM 6822 HW1 SOL 1750 46.630 3.860 23.710 1.00 0.00 H +ATOM 6823 HW2 SOL 1750 45.250 3.980 23.120 1.00 0.00 H +ATOM 6824 OW SOL 1751 54.140 34.070 45.550 1.00 0.00 O +ATOM 6825 HW1 SOL 1751 54.540 34.930 45.660 1.00 0.00 H +ATOM 6826 HW2 SOL 1751 54.180 33.670 46.420 1.00 0.00 H +ATOM 6827 OW SOL 1752 47.470 18.380 36.910 1.00 0.00 O +ATOM 6828 HW1 SOL 1752 46.550 18.250 36.680 1.00 0.00 H +ATOM 6829 HW2 SOL 1752 47.820 17.490 36.990 1.00 0.00 H +ATOM 6830 OW SOL 1753 14.000 58.290 39.600 1.00 0.00 O +ATOM 6831 HW1 SOL 1753 14.460 58.420 40.430 1.00 0.00 H +ATOM 6832 HW2 SOL 1753 14.680 58.350 38.940 1.00 0.00 H +ATOM 6833 OW SOL 1754 52.370 51.440 51.530 1.00 0.00 O +ATOM 6834 HW1 SOL 1754 52.320 51.110 52.420 1.00 0.00 H +ATOM 6835 HW2 SOL 1754 53.090 50.930 51.130 1.00 0.00 H +ATOM 6836 OW SOL 1755 59.600 17.950 36.710 1.00 0.00 O +ATOM 6837 HW1 SOL 1755 59.130 17.130 36.860 1.00 0.00 H +ATOM 6838 HW2 SOL 1755 58.930 18.570 36.420 1.00 0.00 H +ATOM 6839 OW SOL 1756 59.320 15.430 12.220 1.00 0.00 O +ATOM 6840 HW1 SOL 1756 58.490 15.870 12.030 1.00 0.00 H +ATOM 6841 HW2 SOL 1756 59.450 14.830 11.480 1.00 0.00 H +ATOM 6842 OW SOL 1757 43.810 4.150 34.240 1.00 0.00 O +ATOM 6843 HW1 SOL 1757 42.880 4.130 34.460 1.00 0.00 H +ATOM 6844 HW2 SOL 1757 43.870 4.800 33.540 1.00 0.00 H +ATOM 6845 OW SOL 1758 62.730 42.040 50.020 1.00 0.00 O +ATOM 6846 HW1 SOL 1758 61.960 41.490 50.150 1.00 0.00 H +ATOM 6847 HW2 SOL 1758 63.470 41.480 50.280 1.00 0.00 H +ATOM 6848 OW SOL 1759 8.230 10.220 51.560 1.00 0.00 O +ATOM 6849 HW1 SOL 1759 8.520 9.510 52.130 1.00 0.00 H +ATOM 6850 HW2 SOL 1759 9.020 10.520 51.120 1.00 0.00 H +ATOM 6851 OW SOL 1760 39.820 26.560 37.440 1.00 0.00 O +ATOM 6852 HW1 SOL 1760 39.020 27.080 37.450 1.00 0.00 H +ATOM 6853 HW2 SOL 1760 39.960 26.350 36.520 1.00 0.00 H +ATOM 6854 OW SOL 1761 55.830 17.400 2.750 1.00 0.00 O +ATOM 6855 HW1 SOL 1761 55.850 17.170 1.820 1.00 0.00 H +ATOM 6856 HW2 SOL 1761 55.310 18.200 2.790 1.00 0.00 H +ATOM 6857 OW SOL 1762 17.700 4.480 38.250 1.00 0.00 O +ATOM 6858 HW1 SOL 1762 18.290 5.110 37.860 1.00 0.00 H +ATOM 6859 HW2 SOL 1762 18.220 4.030 38.910 1.00 0.00 H +ATOM 6860 OW SOL 1763 62.940 45.320 12.670 1.00 0.00 O +ATOM 6861 HW1 SOL 1763 62.520 45.820 13.370 1.00 0.00 H +ATOM 6862 HW2 SOL 1763 63.140 44.470 13.060 1.00 0.00 H +ATOM 6863 OW SOL 1764 13.250 40.380 9.300 1.00 0.00 O +ATOM 6864 HW1 SOL 1764 13.350 41.330 9.370 1.00 0.00 H +ATOM 6865 HW2 SOL 1764 13.430 40.060 10.180 1.00 0.00 H +ATOM 6866 OW SOL 1765 17.430 23.400 51.230 1.00 0.00 O +ATOM 6867 HW1 SOL 1765 17.030 22.600 50.880 1.00 0.00 H +ATOM 6868 HW2 SOL 1765 18.240 23.500 50.720 1.00 0.00 H +ATOM 6869 OW SOL 1766 19.530 26.160 10.690 1.00 0.00 O +ATOM 6870 HW1 SOL 1766 20.110 25.900 9.980 1.00 0.00 H +ATOM 6871 HW2 SOL 1766 18.860 25.480 10.720 1.00 0.00 H +ATOM 6872 OW SOL 1767 7.710 15.560 32.710 1.00 0.00 O +ATOM 6873 HW1 SOL 1767 7.860 14.930 33.410 1.00 0.00 H +ATOM 6874 HW2 SOL 1767 7.130 15.100 32.100 1.00 0.00 H +ATOM 6875 OW SOL 1768 10.390 32.590 47.190 1.00 0.00 O +ATOM 6876 HW1 SOL 1768 10.640 31.700 46.930 1.00 0.00 H +ATOM 6877 HW2 SOL 1768 9.830 32.480 47.950 1.00 0.00 H +ATOM 6878 OW SOL 1769 11.630 32.970 0.440 1.00 0.00 O +ATOM 6879 HW1 SOL 1769 11.860 33.550 1.170 1.00 0.00 H +ATOM 6880 HW2 SOL 1769 10.690 32.810 0.550 1.00 0.00 H +ATOM 6881 OW SOL 1770 49.210 46.570 19.970 1.00 0.00 O +ATOM 6882 HW1 SOL 1770 48.680 45.790 20.100 1.00 0.00 H +ATOM 6883 HW2 SOL 1770 49.490 46.820 20.850 1.00 0.00 H +ATOM 6884 OW SOL 1771 49.090 36.830 23.210 1.00 0.00 O +ATOM 6885 HW1 SOL 1771 48.610 37.660 23.160 1.00 0.00 H +ATOM 6886 HW2 SOL 1771 49.630 36.900 23.990 1.00 0.00 H +ATOM 6887 OW SOL 1772 52.550 20.250 52.520 1.00 0.00 O +ATOM 6888 HW1 SOL 1772 51.930 19.610 52.880 1.00 0.00 H +ATOM 6889 HW2 SOL 1772 53.390 19.800 52.510 1.00 0.00 H +ATOM 6890 OW SOL 1773 35.780 37.460 43.400 1.00 0.00 O +ATOM 6891 HW1 SOL 1773 35.300 37.850 44.130 1.00 0.00 H +ATOM 6892 HW2 SOL 1773 36.690 37.450 43.690 1.00 0.00 H +ATOM 6893 OW SOL 1774 57.090 56.690 41.900 1.00 0.00 O +ATOM 6894 HW1 SOL 1774 57.380 55.860 41.520 1.00 0.00 H +ATOM 6895 HW2 SOL 1774 57.500 56.710 42.760 1.00 0.00 H +ATOM 6896 OW SOL 1775 58.360 16.890 29.640 1.00 0.00 O +ATOM 6897 HW1 SOL 1775 57.690 16.290 29.310 1.00 0.00 H +ATOM 6898 HW2 SOL 1775 58.680 17.340 28.870 1.00 0.00 H +ATOM 6899 OW SOL 1776 45.160 43.820 10.970 1.00 0.00 O +ATOM 6900 HW1 SOL 1776 44.300 44.230 10.990 1.00 0.00 H +ATOM 6901 HW2 SOL 1776 45.380 43.770 10.040 1.00 0.00 H +ATOM 6902 OW SOL 1777 56.990 28.360 40.960 1.00 0.00 O +ATOM 6903 HW1 SOL 1777 57.350 28.960 40.310 1.00 0.00 H +ATOM 6904 HW2 SOL 1777 56.950 28.870 41.770 1.00 0.00 H +ATOM 6905 OW SOL 1778 13.970 0.530 23.020 1.00 0.00 O +ATOM 6906 HW1 SOL 1778 14.070 -0.350 22.660 1.00 0.00 H +ATOM 6907 HW2 SOL 1778 13.650 0.380 23.910 1.00 0.00 H +ATOM 6908 OW SOL 1779 20.490 36.930 45.780 1.00 0.00 O +ATOM 6909 HW1 SOL 1779 20.500 37.660 46.410 1.00 0.00 H +ATOM 6910 HW2 SOL 1779 20.090 36.200 46.260 1.00 0.00 H +ATOM 6911 OW SOL 1780 18.710 10.500 2.290 1.00 0.00 O +ATOM 6912 HW1 SOL 1780 18.010 10.500 1.640 1.00 0.00 H +ATOM 6913 HW2 SOL 1780 18.320 10.120 3.070 1.00 0.00 H +ATOM 6914 OW SOL 1781 26.650 8.300 33.890 1.00 0.00 O +ATOM 6915 HW1 SOL 1781 26.360 8.580 33.020 1.00 0.00 H +ATOM 6916 HW2 SOL 1781 25.890 8.410 34.450 1.00 0.00 H +ATOM 6917 OW SOL 1782 10.110 52.590 51.870 1.00 0.00 O +ATOM 6918 HW1 SOL 1782 9.770 52.650 52.760 1.00 0.00 H +ATOM 6919 HW2 SOL 1782 10.480 53.460 51.700 1.00 0.00 H +ATOM 6920 OW SOL 1783 19.540 49.300 50.640 1.00 0.00 O +ATOM 6921 HW1 SOL 1783 20.360 49.360 51.120 1.00 0.00 H +ATOM 6922 HW2 SOL 1783 19.290 50.210 50.470 1.00 0.00 H +ATOM 6923 OW SOL 1784 21.470 0.090 32.100 1.00 0.00 O +ATOM 6924 HW1 SOL 1784 20.880 0.700 31.640 1.00 0.00 H +ATOM 6925 HW2 SOL 1784 21.150 0.090 33.000 1.00 0.00 H +ATOM 6926 OW SOL 1785 53.880 27.970 8.950 1.00 0.00 O +ATOM 6927 HW1 SOL 1785 53.580 28.720 8.440 1.00 0.00 H +ATOM 6928 HW2 SOL 1785 53.980 28.300 9.840 1.00 0.00 H +ATOM 6929 OW SOL 1786 58.830 48.960 41.400 1.00 0.00 O +ATOM 6930 HW1 SOL 1786 58.090 48.570 40.940 1.00 0.00 H +ATOM 6931 HW2 SOL 1786 58.840 48.540 42.260 1.00 0.00 H +ATOM 6932 OW SOL 1787 55.640 23.810 22.870 1.00 0.00 O +ATOM 6933 HW1 SOL 1787 56.310 23.650 22.200 1.00 0.00 H +ATOM 6934 HW2 SOL 1787 56.040 23.520 23.690 1.00 0.00 H +ATOM 6935 OW SOL 1788 51.440 16.550 0.240 1.00 0.00 O +ATOM 6936 HW1 SOL 1788 52.250 16.070 0.440 1.00 0.00 H +ATOM 6937 HW2 SOL 1788 51.600 16.910 -0.640 1.00 0.00 H +ATOM 6938 OW SOL 1789 18.620 20.070 24.710 1.00 0.00 O +ATOM 6939 HW1 SOL 1789 17.820 19.550 24.750 1.00 0.00 H +ATOM 6940 HW2 SOL 1789 19.270 19.550 25.190 1.00 0.00 H +ATOM 6941 OW SOL 1790 36.600 8.000 32.670 1.00 0.00 O +ATOM 6942 HW1 SOL 1790 36.740 7.650 31.790 1.00 0.00 H +ATOM 6943 HW2 SOL 1790 35.650 8.110 32.740 1.00 0.00 H +ATOM 6944 OW SOL 1791 52.600 34.390 16.560 1.00 0.00 O +ATOM 6945 HW1 SOL 1791 52.100 35.190 16.740 1.00 0.00 H +ATOM 6946 HW2 SOL 1791 53.520 34.670 16.600 1.00 0.00 H +ATOM 6947 OW SOL 1792 50.110 42.490 0.300 1.00 0.00 O +ATOM 6948 HW1 SOL 1792 50.720 42.820 0.950 1.00 0.00 H +ATOM 6949 HW2 SOL 1792 50.390 42.910 -0.520 1.00 0.00 H +ATOM 6950 OW SOL 1793 21.810 22.980 8.470 1.00 0.00 O +ATOM 6951 HW1 SOL 1793 22.400 22.390 8.000 1.00 0.00 H +ATOM 6952 HW2 SOL 1793 21.340 22.400 9.080 1.00 0.00 H +ATOM 6953 OW SOL 1794 33.410 19.970 26.460 1.00 0.00 O +ATOM 6954 HW1 SOL 1794 33.530 19.290 25.810 1.00 0.00 H +ATOM 6955 HW2 SOL 1794 32.590 19.750 26.910 1.00 0.00 H +ATOM 6956 OW SOL 1795 32.660 38.580 11.460 1.00 0.00 O +ATOM 6957 HW1 SOL 1795 33.450 39.110 11.370 1.00 0.00 H +ATOM 6958 HW2 SOL 1795 32.030 39.160 11.900 1.00 0.00 H +ATOM 6959 OW SOL 1796 2.830 0.260 45.340 1.00 0.00 O +ATOM 6960 HW1 SOL 1796 3.540 -0.280 44.980 1.00 0.00 H +ATOM 6961 HW2 SOL 1796 3.060 1.160 45.070 1.00 0.00 H +ATOM 6962 OW SOL 1797 23.760 13.450 27.960 1.00 0.00 O +ATOM 6963 HW1 SOL 1797 23.330 12.870 28.580 1.00 0.00 H +ATOM 6964 HW2 SOL 1797 23.040 13.970 27.580 1.00 0.00 H +ATOM 6965 OW SOL 1798 38.660 22.570 26.920 1.00 0.00 O +ATOM 6966 HW1 SOL 1798 39.430 23.150 26.890 1.00 0.00 H +ATOM 6967 HW2 SOL 1798 38.170 22.800 26.120 1.00 0.00 H +ATOM 6968 OW SOL 1799 26.770 10.640 13.800 1.00 0.00 O +ATOM 6969 HW1 SOL 1799 27.400 9.980 14.080 1.00 0.00 H +ATOM 6970 HW2 SOL 1799 26.000 10.140 13.530 1.00 0.00 H +ATOM 6971 OW SOL 1800 40.550 49.930 42.370 1.00 0.00 O +ATOM 6972 HW1 SOL 1800 39.600 49.880 42.350 1.00 0.00 H +ATOM 6973 HW2 SOL 1800 40.820 49.190 42.920 1.00 0.00 H +ATOM 6974 OW SOL 1801 9.240 25.650 41.330 1.00 0.00 O +ATOM 6975 HW1 SOL 1801 8.800 25.950 42.130 1.00 0.00 H +ATOM 6976 HW2 SOL 1801 8.990 26.300 40.670 1.00 0.00 H +ATOM 6977 OW SOL 1802 33.560 24.750 13.700 1.00 0.00 O +ATOM 6978 HW1 SOL 1802 32.820 24.710 13.100 1.00 0.00 H +ATOM 6979 HW2 SOL 1802 34.060 25.520 13.410 1.00 0.00 H +ATOM 6980 OW SOL 1803 40.900 6.190 51.130 1.00 0.00 O +ATOM 6981 HW1 SOL 1803 41.380 6.340 50.310 1.00 0.00 H +ATOM 6982 HW2 SOL 1803 40.080 6.670 51.010 1.00 0.00 H +ATOM 6983 OW SOL 1804 49.510 19.320 38.890 1.00 0.00 O +ATOM 6984 HW1 SOL 1804 50.430 19.320 38.650 1.00 0.00 H +ATOM 6985 HW2 SOL 1804 49.070 18.970 38.110 1.00 0.00 H +ATOM 6986 OW SOL 1805 25.550 24.860 49.350 1.00 0.00 O +ATOM 6987 HW1 SOL 1805 25.250 25.190 48.510 1.00 0.00 H +ATOM 6988 HW2 SOL 1805 26.100 24.100 49.140 1.00 0.00 H +ATOM 6989 OW SOL 1806 13.000 6.940 8.790 1.00 0.00 O +ATOM 6990 HW1 SOL 1806 12.790 6.010 8.910 1.00 0.00 H +ATOM 6991 HW2 SOL 1806 13.260 7.010 7.880 1.00 0.00 H +ATOM 6992 OW SOL 1807 38.630 49.450 3.600 1.00 0.00 O +ATOM 6993 HW1 SOL 1807 37.850 49.570 4.150 1.00 0.00 H +ATOM 6994 HW2 SOL 1807 38.560 50.140 2.940 1.00 0.00 H +ATOM 6995 OW SOL 1808 55.580 34.440 32.210 1.00 0.00 O +ATOM 6996 HW1 SOL 1808 54.990 34.840 32.850 1.00 0.00 H +ATOM 6997 HW2 SOL 1808 56.390 34.280 32.690 1.00 0.00 H +ATOM 6998 OW SOL 1809 59.080 15.780 46.410 1.00 0.00 O +ATOM 6999 HW1 SOL 1809 58.870 15.080 45.790 1.00 0.00 H +ATOM 7000 HW2 SOL 1809 59.910 15.520 46.810 1.00 0.00 H +ATOM 7001 OW SOL 1810 17.720 6.510 2.910 1.00 0.00 O +ATOM 7002 HW1 SOL 1810 17.230 7.130 2.370 1.00 0.00 H +ATOM 7003 HW2 SOL 1810 17.410 5.650 2.640 1.00 0.00 H +ATOM 7004 OW SOL 1811 15.860 28.890 11.170 1.00 0.00 O +ATOM 7005 HW1 SOL 1811 15.870 29.260 10.290 1.00 0.00 H +ATOM 7006 HW2 SOL 1811 16.710 29.130 11.540 1.00 0.00 H +ATOM 7007 OW SOL 1812 30.320 6.130 26.690 1.00 0.00 O +ATOM 7008 HW1 SOL 1812 30.010 5.310 26.310 1.00 0.00 H +ATOM 7009 HW2 SOL 1812 29.820 6.810 26.240 1.00 0.00 H +ATOM 7010 OW SOL 1813 17.770 48.470 34.160 1.00 0.00 O +ATOM 7011 HW1 SOL 1813 17.690 48.250 33.230 1.00 0.00 H +ATOM 7012 HW2 SOL 1813 18.540 49.030 34.210 1.00 0.00 H +ATOM 7013 OW SOL 1814 18.370 60.370 47.780 1.00 0.00 O +ATOM 7014 HW1 SOL 1814 17.960 61.120 48.210 1.00 0.00 H +ATOM 7015 HW2 SOL 1814 18.270 59.650 48.410 1.00 0.00 H +ATOM 7016 OW SOL 1815 63.830 21.570 52.080 1.00 0.00 O +ATOM 7017 HW1 SOL 1815 64.500 21.510 52.750 1.00 0.00 H +ATOM 7018 HW2 SOL 1815 64.170 22.210 51.450 1.00 0.00 H +ATOM 7019 OW SOL 1816 50.770 47.210 13.240 1.00 0.00 O +ATOM 7020 HW1 SOL 1816 51.530 47.100 12.660 1.00 0.00 H +ATOM 7021 HW2 SOL 1816 50.020 46.950 12.710 1.00 0.00 H +ATOM 7022 OW SOL 1817 44.620 33.600 41.020 1.00 0.00 O +ATOM 7023 HW1 SOL 1817 44.510 34.410 40.530 1.00 0.00 H +ATOM 7024 HW2 SOL 1817 43.730 33.260 41.130 1.00 0.00 H +ATOM 7025 OW SOL 1818 48.140 16.290 8.720 1.00 0.00 O +ATOM 7026 HW1 SOL 1818 48.380 16.660 7.870 1.00 0.00 H +ATOM 7027 HW2 SOL 1818 48.490 16.920 9.360 1.00 0.00 H +ATOM 7028 OW SOL 1819 58.450 59.570 1.110 1.00 0.00 O +ATOM 7029 HW1 SOL 1819 58.980 59.060 1.720 1.00 0.00 H +ATOM 7030 HW2 SOL 1819 58.470 59.070 0.300 1.00 0.00 H +ATOM 7031 OW SOL 1820 16.062 53.239 0.045 1.00 0.00 O +ATOM 7032 HW1 SOL 1820 16.752 52.819 -0.475 1.00 0.00 H +ATOM 7033 HW2 SOL 1820 16.092 54.159 -0.225 1.00 0.00 H +ATOM 7034 OW SOL 1821 26.550 49.410 49.310 1.00 0.00 O +ATOM 7035 HW1 SOL 1821 26.820 50.310 49.130 1.00 0.00 H +ATOM 7036 HW2 SOL 1821 26.950 49.200 50.160 1.00 0.00 H +ATOM 7037 OW SOL 1822 32.280 3.610 17.230 1.00 0.00 O +ATOM 7038 HW1 SOL 1822 32.150 3.040 16.470 1.00 0.00 H +ATOM 7039 HW2 SOL 1822 31.880 4.440 16.970 1.00 0.00 H +ATOM 7040 OW SOL 1823 47.810 15.080 24.140 1.00 0.00 O +ATOM 7041 HW1 SOL 1823 48.160 15.060 23.250 1.00 0.00 H +ATOM 7042 HW2 SOL 1823 47.390 14.220 24.250 1.00 0.00 H +ATOM 7043 OW SOL 1824 24.740 22.040 19.830 1.00 0.00 O +ATOM 7044 HW1 SOL 1824 24.720 21.680 20.720 1.00 0.00 H +ATOM 7045 HW2 SOL 1824 24.000 22.640 19.790 1.00 0.00 H +ATOM 7046 OW SOL 1825 27.800 22.360 43.180 1.00 0.00 O +ATOM 7047 HW1 SOL 1825 28.660 22.740 43.010 1.00 0.00 H +ATOM 7048 HW2 SOL 1825 27.340 23.030 43.690 1.00 0.00 H +ATOM 7049 OW SOL 1826 4.510 52.280 48.530 1.00 0.00 O +ATOM 7050 HW1 SOL 1826 4.930 51.760 49.220 1.00 0.00 H +ATOM 7051 HW2 SOL 1826 5.190 52.870 48.220 1.00 0.00 H +ATOM 7052 OW SOL 1827 28.120 32.400 18.830 1.00 0.00 O +ATOM 7053 HW1 SOL 1827 28.070 33.010 18.100 1.00 0.00 H +ATOM 7054 HW2 SOL 1827 27.270 32.470 19.270 1.00 0.00 H +ATOM 7055 OW SOL 1828 12.980 29.430 6.980 1.00 0.00 O +ATOM 7056 HW1 SOL 1828 13.810 29.510 6.510 1.00 0.00 H +ATOM 7057 HW2 SOL 1828 12.980 30.160 7.590 1.00 0.00 H +ATOM 7058 OW SOL 1829 2.020 39.010 15.210 1.00 0.00 O +ATOM 7059 HW1 SOL 1829 1.810 39.060 14.270 1.00 0.00 H +ATOM 7060 HW2 SOL 1829 2.570 38.230 15.290 1.00 0.00 H +ATOM 7061 OW SOL 1830 49.670 52.490 50.570 1.00 0.00 O +ATOM 7062 HW1 SOL 1830 50.400 52.260 51.140 1.00 0.00 H +ATOM 7063 HW2 SOL 1830 49.280 51.650 50.340 1.00 0.00 H +ATOM 7064 OW SOL 1831 43.620 13.280 49.440 1.00 0.00 O +ATOM 7065 HW1 SOL 1831 43.470 14.170 49.120 1.00 0.00 H +ATOM 7066 HW2 SOL 1831 43.480 12.730 48.680 1.00 0.00 H +ATOM 7067 OW SOL 1832 63.760 43.900 28.810 1.00 0.00 O +ATOM 7068 HW1 SOL 1832 64.390 44.620 28.860 1.00 0.00 H +ATOM 7069 HW2 SOL 1832 64.300 43.130 28.600 1.00 0.00 H +ATOM 7070 OW SOL 1833 50.870 35.390 42.840 1.00 0.00 O +ATOM 7071 HW1 SOL 1833 51.550 35.970 43.180 1.00 0.00 H +ATOM 7072 HW2 SOL 1833 50.060 35.900 42.900 1.00 0.00 H +ATOM 7073 OW SOL 1834 23.200 28.530 48.680 1.00 0.00 O +ATOM 7074 HW1 SOL 1834 23.860 27.830 48.620 1.00 0.00 H +ATOM 7075 HW2 SOL 1834 22.970 28.570 49.610 1.00 0.00 H +ATOM 7076 OW SOL 1835 10.430 4.350 45.670 1.00 0.00 O +ATOM 7077 HW1 SOL 1835 11.210 3.840 45.460 1.00 0.00 H +ATOM 7078 HW2 SOL 1835 10.380 5.020 44.990 1.00 0.00 H +ATOM 7079 OW SOL 1836 1.960 45.400 20.060 1.00 0.00 O +ATOM 7080 HW1 SOL 1836 2.200 46.310 19.870 1.00 0.00 H +ATOM 7081 HW2 SOL 1836 2.760 44.900 19.900 1.00 0.00 H +ATOM 7082 OW SOL 1837 13.740 7.310 17.590 1.00 0.00 O +ATOM 7083 HW1 SOL 1837 14.430 6.680 17.820 1.00 0.00 H +ATOM 7084 HW2 SOL 1837 12.960 6.770 17.470 1.00 0.00 H +ATOM 7085 OW SOL 1838 14.800 50.720 46.550 1.00 0.00 O +ATOM 7086 HW1 SOL 1838 14.730 51.310 47.290 1.00 0.00 H +ATOM 7087 HW2 SOL 1838 14.660 51.280 45.780 1.00 0.00 H +ATOM 7088 OW SOL 1839 55.770 30.360 7.360 1.00 0.00 O +ATOM 7089 HW1 SOL 1839 55.880 30.500 6.420 1.00 0.00 H +ATOM 7090 HW2 SOL 1839 56.650 30.140 7.680 1.00 0.00 H +ATOM 7091 OW SOL 1840 44.140 44.880 13.550 1.00 0.00 O +ATOM 7092 HW1 SOL 1840 43.820 45.670 13.130 1.00 0.00 H +ATOM 7093 HW2 SOL 1840 44.450 44.330 12.830 1.00 0.00 H +ATOM 7094 OW SOL 1841 15.940 32.160 16.360 1.00 0.00 O +ATOM 7095 HW1 SOL 1841 15.170 32.020 16.910 1.00 0.00 H +ATOM 7096 HW2 SOL 1841 16.630 32.400 16.970 1.00 0.00 H +ATOM 7097 OW SOL 1842 1.440 3.370 39.520 1.00 0.00 O +ATOM 7098 HW1 SOL 1842 1.510 3.220 40.460 1.00 0.00 H +ATOM 7099 HW2 SOL 1842 0.830 2.690 39.220 1.00 0.00 H +ATOM 7100 OW SOL 1843 58.300 18.600 47.080 1.00 0.00 O +ATOM 7101 HW1 SOL 1843 57.430 18.290 47.310 1.00 0.00 H +ATOM 7102 HW2 SOL 1843 58.780 17.800 46.850 1.00 0.00 H +ATOM 7103 OW SOL 1844 16.670 60.030 9.800 1.00 0.00 O +ATOM 7104 HW1 SOL 1844 16.900 60.290 8.910 1.00 0.00 H +ATOM 7105 HW2 SOL 1844 16.690 59.070 9.780 1.00 0.00 H +ATOM 7106 OW SOL 1845 55.690 16.980 52.350 1.00 0.00 O +ATOM 7107 HW1 SOL 1845 55.510 16.910 53.290 1.00 0.00 H +ATOM 7108 HW2 SOL 1845 55.480 16.120 52.000 1.00 0.00 H +ATOM 7109 OW SOL 1846 43.580 22.220 29.160 1.00 0.00 O +ATOM 7110 HW1 SOL 1846 43.730 22.390 28.240 1.00 0.00 H +ATOM 7111 HW2 SOL 1846 42.650 22.380 29.290 1.00 0.00 H +ATOM 7112 OW SOL 1847 41.320 0.880 25.770 1.00 0.00 O +ATOM 7113 HW1 SOL 1847 41.860 0.490 26.460 1.00 0.00 H +ATOM 7114 HW2 SOL 1847 41.400 0.280 25.030 1.00 0.00 H +ATOM 7115 OW SOL 1848 12.980 3.380 44.560 1.00 0.00 O +ATOM 7116 HW1 SOL 1848 13.810 3.300 45.030 1.00 0.00 H +ATOM 7117 HW2 SOL 1848 13.170 3.050 43.690 1.00 0.00 H +ATOM 7118 OW SOL 1849 59.060 42.420 33.100 1.00 0.00 O +ATOM 7119 HW1 SOL 1849 59.500 41.570 33.160 1.00 0.00 H +ATOM 7120 HW2 SOL 1849 58.260 42.250 32.610 1.00 0.00 H +ATOM 7121 OW SOL 1850 16.580 7.010 43.730 1.00 0.00 O +ATOM 7122 HW1 SOL 1850 16.340 7.150 42.810 1.00 0.00 H +ATOM 7123 HW2 SOL 1850 15.840 6.550 44.110 1.00 0.00 H +ATOM 7124 OW SOL 1851 65.030 38.340 19.250 1.00 0.00 O +ATOM 7125 HW1 SOL 1851 64.740 37.470 18.960 1.00 0.00 H +ATOM 7126 HW2 SOL 1851 64.970 38.890 18.460 1.00 0.00 H +ATOM 7127 OW SOL 1852 45.960 19.880 38.820 1.00 0.00 O +ATOM 7128 HW1 SOL 1852 46.550 19.260 38.390 1.00 0.00 H +ATOM 7129 HW2 SOL 1852 46.450 20.700 38.840 1.00 0.00 H +ATOM 7130 OW SOL 1853 18.710 18.610 39.130 1.00 0.00 O +ATOM 7131 HW1 SOL 1853 18.550 19.490 39.460 1.00 0.00 H +ATOM 7132 HW2 SOL 1853 19.560 18.370 39.500 1.00 0.00 H +ATOM 7133 OW SOL 1854 15.550 18.190 10.030 1.00 0.00 O +ATOM 7134 HW1 SOL 1854 16.470 18.020 9.810 1.00 0.00 H +ATOM 7135 HW2 SOL 1854 15.200 18.620 9.250 1.00 0.00 H +ATOM 7136 OW SOL 1855 22.740 40.630 42.220 1.00 0.00 O +ATOM 7137 HW1 SOL 1855 23.080 41.300 41.630 1.00 0.00 H +ATOM 7138 HW2 SOL 1855 23.350 39.900 42.140 1.00 0.00 H +ATOM 7139 OW SOL 1856 31.790 20.080 18.560 1.00 0.00 O +ATOM 7140 HW1 SOL 1856 31.950 19.370 19.170 1.00 0.00 H +ATOM 7141 HW2 SOL 1856 32.440 19.960 17.870 1.00 0.00 H +ATOM 7142 OW SOL 1857 50.000 16.850 31.670 1.00 0.00 O +ATOM 7143 HW1 SOL 1857 50.590 16.730 32.410 1.00 0.00 H +ATOM 7144 HW2 SOL 1857 50.440 16.400 30.940 1.00 0.00 H +ATOM 7145 OW SOL 1858 29.800 10.230 17.510 1.00 0.00 O +ATOM 7146 HW1 SOL 1858 29.200 9.530 17.250 1.00 0.00 H +ATOM 7147 HW2 SOL 1858 30.450 10.260 16.810 1.00 0.00 H +ATOM 7148 OW SOL 1859 52.220 29.920 19.820 1.00 0.00 O +ATOM 7149 HW1 SOL 1859 51.850 29.520 20.600 1.00 0.00 H +ATOM 7150 HW2 SOL 1859 52.690 29.200 19.390 1.00 0.00 H +ATOM 7151 OW SOL 1860 24.360 37.340 45.450 1.00 0.00 O +ATOM 7152 HW1 SOL 1860 23.780 36.980 44.780 1.00 0.00 H +ATOM 7153 HW2 SOL 1860 25.220 37.360 45.030 1.00 0.00 H +ATOM 7154 OW SOL 1861 52.030 28.980 52.530 1.00 0.00 O +ATOM 7155 HW1 SOL 1861 51.560 29.210 51.720 1.00 0.00 H +ATOM 7156 HW2 SOL 1861 51.380 29.090 53.220 1.00 0.00 H +ATOM 7157 OW SOL 1862 23.400 21.330 35.010 1.00 0.00 O +ATOM 7158 HW1 SOL 1862 23.870 22.100 34.690 1.00 0.00 H +ATOM 7159 HW2 SOL 1862 24.070 20.650 35.090 1.00 0.00 H +ATOM 7160 OW SOL 1863 3.720 34.750 47.350 1.00 0.00 O +ATOM 7161 HW1 SOL 1863 3.630 33.840 47.620 1.00 0.00 H +ATOM 7162 HW2 SOL 1863 4.200 35.160 48.070 1.00 0.00 H +ATOM 7163 OW SOL 1864 54.590 60.070 16.530 1.00 0.00 O +ATOM 7164 HW1 SOL 1864 54.030 60.780 16.820 1.00 0.00 H +ATOM 7165 HW2 SOL 1864 54.010 59.470 16.060 1.00 0.00 H +ATOM 7166 OW SOL 1865 1.400 48.610 23.550 1.00 0.00 O +ATOM 7167 HW1 SOL 1865 0.940 48.120 24.230 1.00 0.00 H +ATOM 7168 HW2 SOL 1865 0.780 49.300 23.290 1.00 0.00 H +ATOM 7169 OW SOL 1866 21.080 6.480 43.810 1.00 0.00 O +ATOM 7170 HW1 SOL 1866 20.370 6.420 44.450 1.00 0.00 H +ATOM 7171 HW2 SOL 1866 21.680 5.770 44.050 1.00 0.00 H +ATOM 7172 OW SOL 1867 23.200 16.260 5.140 1.00 0.00 O +ATOM 7173 HW1 SOL 1867 23.410 17.190 5.230 1.00 0.00 H +ATOM 7174 HW2 SOL 1867 22.680 16.060 5.910 1.00 0.00 H +ATOM 7175 OW SOL 1868 7.530 30.110 30.580 1.00 0.00 O +ATOM 7176 HW1 SOL 1868 7.070 30.850 30.980 1.00 0.00 H +ATOM 7177 HW2 SOL 1868 7.630 29.470 31.280 1.00 0.00 H +ATOM 7178 OW SOL 1869 36.720 32.390 9.220 1.00 0.00 O +ATOM 7179 HW1 SOL 1869 36.100 31.680 9.360 1.00 0.00 H +ATOM 7180 HW2 SOL 1869 36.180 33.120 8.920 1.00 0.00 H +ATOM 7181 OW SOL 1870 15.150 33.930 21.600 1.00 0.00 O +ATOM 7182 HW1 SOL 1870 15.480 34.710 22.030 1.00 0.00 H +ATOM 7183 HW2 SOL 1870 15.860 33.290 21.660 1.00 0.00 H +ATOM 7184 OW SOL 1871 50.260 15.910 38.340 1.00 0.00 O +ATOM 7185 HW1 SOL 1871 50.330 16.620 37.690 1.00 0.00 H +ATOM 7186 HW2 SOL 1871 49.730 15.240 37.900 1.00 0.00 H +ATOM 7187 OW SOL 1872 1.250 51.430 35.930 1.00 0.00 O +ATOM 7188 HW1 SOL 1872 2.070 51.350 35.430 1.00 0.00 H +ATOM 7189 HW2 SOL 1872 1.540 51.620 36.820 1.00 0.00 H +ATOM 7190 OW SOL 1873 32.460 49.990 47.590 1.00 0.00 O +ATOM 7191 HW1 SOL 1873 32.460 49.860 46.640 1.00 0.00 H +ATOM 7192 HW2 SOL 1873 32.950 50.800 47.720 1.00 0.00 H +ATOM 7193 OW SOL 1874 33.050 32.040 40.730 1.00 0.00 O +ATOM 7194 HW1 SOL 1874 33.760 31.490 41.050 1.00 0.00 H +ATOM 7195 HW2 SOL 1874 32.980 31.830 39.800 1.00 0.00 H +ATOM 7196 OW SOL 1875 50.330 46.370 28.600 1.00 0.00 O +ATOM 7197 HW1 SOL 1875 51.200 46.760 28.510 1.00 0.00 H +ATOM 7198 HW2 SOL 1875 50.450 45.660 29.230 1.00 0.00 H +ATOM 7199 OW SOL 1876 18.020 3.990 44.650 1.00 0.00 O +ATOM 7200 HW1 SOL 1876 17.950 3.970 43.700 1.00 0.00 H +ATOM 7201 HW2 SOL 1876 18.140 4.910 44.870 1.00 0.00 H +ATOM 7202 OW SOL 1877 16.690 30.370 3.820 1.00 0.00 O +ATOM 7203 HW1 SOL 1877 17.050 29.670 3.280 1.00 0.00 H +ATOM 7204 HW2 SOL 1877 17.080 31.170 3.450 1.00 0.00 H +ATOM 7205 OW SOL 1878 43.070 12.190 35.260 1.00 0.00 O +ATOM 7206 HW1 SOL 1878 43.320 13.110 35.370 1.00 0.00 H +ATOM 7207 HW2 SOL 1878 43.050 12.070 34.310 1.00 0.00 H +ATOM 7208 OW SOL 1879 55.450 44.660 21.120 1.00 0.00 O +ATOM 7209 HW1 SOL 1879 54.870 44.960 21.820 1.00 0.00 H +ATOM 7210 HW2 SOL 1879 56.100 44.110 21.560 1.00 0.00 H +ATOM 7211 OW SOL 1880 59.930 36.100 5.820 1.00 0.00 O +ATOM 7212 HW1 SOL 1880 60.160 36.840 6.370 1.00 0.00 H +ATOM 7213 HW2 SOL 1880 60.700 35.530 5.850 1.00 0.00 H +ATOM 7214 OW SOL 1881 61.560 14.570 21.470 1.00 0.00 O +ATOM 7215 HW1 SOL 1881 61.100 14.970 22.210 1.00 0.00 H +ATOM 7216 HW2 SOL 1881 60.860 14.280 20.890 1.00 0.00 H +ATOM 7217 OW SOL 1882 11.620 26.960 20.860 1.00 0.00 O +ATOM 7218 HW1 SOL 1882 11.800 26.280 20.210 1.00 0.00 H +ATOM 7219 HW2 SOL 1882 10.800 27.360 20.580 1.00 0.00 H +ATOM 7220 OW SOL 1883 4.060 47.830 2.310 1.00 0.00 O +ATOM 7221 HW1 SOL 1883 3.260 48.290 2.060 1.00 0.00 H +ATOM 7222 HW2 SOL 1883 4.360 47.410 1.510 1.00 0.00 H +ATOM 7223 OW SOL 1884 2.620 4.190 31.380 1.00 0.00 O +ATOM 7224 HW1 SOL 1884 2.220 4.270 30.520 1.00 0.00 H +ATOM 7225 HW2 SOL 1884 3.120 3.380 31.340 1.00 0.00 H +ATOM 7226 OW SOL 1885 7.890 51.080 18.780 1.00 0.00 O +ATOM 7227 HW1 SOL 1885 7.010 50.930 19.130 1.00 0.00 H +ATOM 7228 HW2 SOL 1885 8.430 51.230 19.560 1.00 0.00 H +ATOM 7229 OW SOL 1886 18.440 14.410 17.660 1.00 0.00 O +ATOM 7230 HW1 SOL 1886 18.520 14.350 16.710 1.00 0.00 H +ATOM 7231 HW2 SOL 1886 18.800 13.590 17.990 1.00 0.00 H +ATOM 7232 OW SOL 1887 57.960 9.140 42.780 1.00 0.00 O +ATOM 7233 HW1 SOL 1887 58.710 8.550 42.900 1.00 0.00 H +ATOM 7234 HW2 SOL 1887 58.100 9.840 43.410 1.00 0.00 H +ATOM 7235 OW SOL 1888 9.250 54.320 14.050 1.00 0.00 O +ATOM 7236 HW1 SOL 1888 8.630 54.880 14.520 1.00 0.00 H +ATOM 7237 HW2 SOL 1888 8.880 54.220 13.180 1.00 0.00 H +ATOM 7238 OW SOL 1889 29.420 21.730 45.940 1.00 0.00 O +ATOM 7239 HW1 SOL 1889 28.910 21.030 45.540 1.00 0.00 H +ATOM 7240 HW2 SOL 1889 28.770 22.400 46.170 1.00 0.00 H +ATOM 7241 OW SOL 1890 46.530 45.220 23.260 1.00 0.00 O +ATOM 7242 HW1 SOL 1890 46.610 46.030 22.760 1.00 0.00 H +ATOM 7243 HW2 SOL 1890 45.590 45.120 23.410 1.00 0.00 H +ATOM 7244 OW SOL 1891 10.320 12.000 43.350 1.00 0.00 O +ATOM 7245 HW1 SOL 1891 9.610 11.580 42.850 1.00 0.00 H +ATOM 7246 HW2 SOL 1891 11.000 12.170 42.700 1.00 0.00 H +ATOM 7247 OW SOL 1892 60.790 41.640 1.100 1.00 0.00 O +ATOM 7248 HW1 SOL 1892 60.510 40.770 0.810 1.00 0.00 H +ATOM 7249 HW2 SOL 1892 61.750 41.560 1.170 1.00 0.00 H +ATOM 7250 OW SOL 1893 49.870 53.380 45.320 1.00 0.00 O +ATOM 7251 HW1 SOL 1893 50.300 53.050 46.110 1.00 0.00 H +ATOM 7252 HW2 SOL 1893 49.560 54.250 45.550 1.00 0.00 H +ATOM 7253 OW SOL 1894 42.150 16.720 0.370 1.00 0.00 O +ATOM 7254 HW1 SOL 1894 41.970 17.370 1.050 1.00 0.00 H +ATOM 7255 HW2 SOL 1894 42.570 15.990 0.840 1.00 0.00 H +ATOM 7256 OW SOL 1895 50.560 45.730 25.880 1.00 0.00 O +ATOM 7257 HW1 SOL 1895 50.100 44.930 26.130 1.00 0.00 H +ATOM 7258 HW2 SOL 1895 50.730 46.180 26.700 1.00 0.00 H +ATOM 7259 OW SOL 1896 47.970 9.310 26.730 1.00 0.00 O +ATOM 7260 HW1 SOL 1896 48.430 8.750 27.350 1.00 0.00 H +ATOM 7261 HW2 SOL 1896 47.650 10.040 27.260 1.00 0.00 H +ATOM 7262 OW SOL 1897 1.110 52.410 3.900 1.00 0.00 O +ATOM 7263 HW1 SOL 1897 1.770 52.020 3.340 1.00 0.00 H +ATOM 7264 HW2 SOL 1897 0.600 51.670 4.230 1.00 0.00 H +ATOM 7265 OW SOL 1898 46.070 16.680 44.060 1.00 0.00 O +ATOM 7266 HW1 SOL 1898 45.530 16.020 43.620 1.00 0.00 H +ATOM 7267 HW2 SOL 1898 46.970 16.440 43.830 1.00 0.00 H +ATOM 7268 OW SOL 1899 53.860 3.740 6.190 1.00 0.00 O +ATOM 7269 HW1 SOL 1899 53.180 3.490 5.560 1.00 0.00 H +ATOM 7270 HW2 SOL 1899 54.670 3.730 5.680 1.00 0.00 H +ATOM 7271 OW SOL 1900 50.110 60.930 34.700 1.00 0.00 O +ATOM 7272 HW1 SOL 1900 50.010 59.990 34.510 1.00 0.00 H +ATOM 7273 HW2 SOL 1900 49.620 61.370 34.000 1.00 0.00 H +ATOM 7274 OW SOL 1901 17.890 33.530 50.490 1.00 0.00 O +ATOM 7275 HW1 SOL 1901 17.600 33.850 49.640 1.00 0.00 H +ATOM 7276 HW2 SOL 1901 17.430 34.080 51.130 1.00 0.00 H +ATOM 7277 OW SOL 1902 51.250 58.520 37.460 1.00 0.00 O +ATOM 7278 HW1 SOL 1902 51.270 58.370 36.510 1.00 0.00 H +ATOM 7279 HW2 SOL 1902 52.060 58.120 37.780 1.00 0.00 H +ATOM 7280 OW SOL 1903 31.950 37.120 50.190 1.00 0.00 O +ATOM 7281 HW1 SOL 1903 32.460 36.320 50.230 1.00 0.00 H +ATOM 7282 HW2 SOL 1903 31.170 36.880 49.690 1.00 0.00 H +ATOM 7283 OW SOL 1904 54.900 19.210 10.930 1.00 0.00 O +ATOM 7284 HW1 SOL 1904 54.210 18.550 10.990 1.00 0.00 H +ATOM 7285 HW2 SOL 1904 55.320 19.050 10.090 1.00 0.00 H +ATOM 7286 OW SOL 1905 18.620 17.940 9.580 1.00 0.00 O +ATOM 7287 HW1 SOL 1905 18.380 17.120 9.140 1.00 0.00 H +ATOM 7288 HW2 SOL 1905 19.490 17.760 9.950 1.00 0.00 H +ATOM 7289 OW SOL 1906 45.160 29.820 39.780 1.00 0.00 O +ATOM 7290 HW1 SOL 1906 44.450 29.180 39.890 1.00 0.00 H +ATOM 7291 HW2 SOL 1906 44.950 30.520 40.400 1.00 0.00 H +ATOM 7292 OW SOL 1907 49.790 17.660 5.410 1.00 0.00 O +ATOM 7293 HW1 SOL 1907 49.920 18.140 6.220 1.00 0.00 H +ATOM 7294 HW2 SOL 1907 50.660 17.590 5.020 1.00 0.00 H +ATOM 7295 OW SOL 1908 14.030 16.510 29.540 1.00 0.00 O +ATOM 7296 HW1 SOL 1908 14.860 16.850 29.210 1.00 0.00 H +ATOM 7297 HW2 SOL 1908 13.420 17.240 29.410 1.00 0.00 H +ATOM 7298 OW SOL 1909 3.900 19.100 50.460 1.00 0.00 O +ATOM 7299 HW1 SOL 1909 3.280 18.490 50.070 1.00 0.00 H +ATOM 7300 HW2 SOL 1909 3.980 19.810 49.820 1.00 0.00 H +ATOM 7301 OW SOL 1910 3.310 45.000 36.240 1.00 0.00 O +ATOM 7302 HW1 SOL 1910 3.220 45.940 36.070 1.00 0.00 H +ATOM 7303 HW2 SOL 1910 2.670 44.820 36.930 1.00 0.00 H +ATOM 7304 OW SOL 1911 60.790 57.620 30.050 1.00 0.00 O +ATOM 7305 HW1 SOL 1911 61.500 56.980 30.030 1.00 0.00 H +ATOM 7306 HW2 SOL 1911 61.190 58.410 30.410 1.00 0.00 H +ATOM 7307 OW SOL 1912 43.430 8.410 44.180 1.00 0.00 O +ATOM 7308 HW1 SOL 1912 42.930 9.180 43.910 1.00 0.00 H +ATOM 7309 HW2 SOL 1912 43.680 7.990 43.360 1.00 0.00 H +ATOM 7310 OW SOL 1913 45.050 50.180 38.200 1.00 0.00 O +ATOM 7311 HW1 SOL 1913 45.770 50.280 38.830 1.00 0.00 H +ATOM 7312 HW2 SOL 1913 44.930 51.050 37.840 1.00 0.00 H +ATOM 7313 OW SOL 1914 48.600 39.940 5.390 1.00 0.00 O +ATOM 7314 HW1 SOL 1914 48.810 40.500 4.640 1.00 0.00 H +ATOM 7315 HW2 SOL 1914 49.400 39.430 5.540 1.00 0.00 H +ATOM 7316 OW SOL 1915 17.840 36.060 25.910 1.00 0.00 O +ATOM 7317 HW1 SOL 1915 17.860 35.710 25.020 1.00 0.00 H +ATOM 7318 HW2 SOL 1915 17.380 36.900 25.830 1.00 0.00 H +ATOM 7319 OW SOL 1916 8.310 17.650 18.070 1.00 0.00 O +ATOM 7320 HW1 SOL 1916 9.070 17.920 17.550 1.00 0.00 H +ATOM 7321 HW2 SOL 1916 8.150 16.750 17.800 1.00 0.00 H +ATOM 7322 OW SOL 1917 2.930 11.090 51.270 1.00 0.00 O +ATOM 7323 HW1 SOL 1917 3.390 11.830 50.860 1.00 0.00 H +ATOM 7324 HW2 SOL 1917 2.020 11.360 51.310 1.00 0.00 H +ATOM 7325 OW SOL 1918 11.730 60.800 7.060 1.00 0.00 O +ATOM 7326 HW1 SOL 1918 11.630 61.160 7.940 1.00 0.00 H +ATOM 7327 HW2 SOL 1918 12.610 61.070 6.790 1.00 0.00 H +ATOM 7328 OW SOL 1919 46.350 29.000 6.620 1.00 0.00 O +ATOM 7329 HW1 SOL 1919 46.490 28.860 7.560 1.00 0.00 H +ATOM 7330 HW2 SOL 1919 45.410 28.910 6.500 1.00 0.00 H +ATOM 7331 OW SOL 1920 50.840 23.180 29.020 1.00 0.00 O +ATOM 7332 HW1 SOL 1920 49.900 23.020 28.950 1.00 0.00 H +ATOM 7333 HW2 SOL 1920 50.940 24.120 28.840 1.00 0.00 H +ATOM 7334 OW SOL 1921 5.880 36.630 51.360 1.00 0.00 O +ATOM 7335 HW1 SOL 1921 5.150 36.210 51.810 1.00 0.00 H +ATOM 7336 HW2 SOL 1921 5.760 36.390 50.440 1.00 0.00 H +ATOM 7337 OW SOL 1922 60.930 8.490 28.330 1.00 0.00 O +ATOM 7338 HW1 SOL 1922 60.230 8.050 27.850 1.00 0.00 H +ATOM 7339 HW2 SOL 1922 61.730 8.010 28.090 1.00 0.00 H +ATOM 7340 OW SOL 1923 52.010 55.830 49.570 1.00 0.00 O +ATOM 7341 HW1 SOL 1923 52.830 56.220 49.280 1.00 0.00 H +ATOM 7342 HW2 SOL 1923 52.180 54.880 49.570 1.00 0.00 H +ATOM 7343 OW SOL 1924 49.280 38.980 35.050 1.00 0.00 O +ATOM 7344 HW1 SOL 1924 49.460 39.210 35.960 1.00 0.00 H +ATOM 7345 HW2 SOL 1924 49.650 38.110 34.930 1.00 0.00 H +ATOM 7346 OW SOL 1925 44.050 31.230 6.940 1.00 0.00 O +ATOM 7347 HW1 SOL 1925 44.660 31.950 7.120 1.00 0.00 H +ATOM 7348 HW2 SOL 1925 44.270 30.940 6.060 1.00 0.00 H +ATOM 7349 OW SOL 1926 22.510 10.150 15.680 1.00 0.00 O +ATOM 7350 HW1 SOL 1926 21.740 10.690 15.480 1.00 0.00 H +ATOM 7351 HW2 SOL 1926 22.940 10.020 14.840 1.00 0.00 H +ATOM 7352 OW SOL 1927 58.310 13.440 32.480 1.00 0.00 O +ATOM 7353 HW1 SOL 1927 57.540 14.000 32.590 1.00 0.00 H +ATOM 7354 HW2 SOL 1927 58.980 14.030 32.130 1.00 0.00 H +ATOM 7355 OW SOL 1928 60.450 27.170 12.670 1.00 0.00 O +ATOM 7356 HW1 SOL 1928 59.540 26.990 12.440 1.00 0.00 H +ATOM 7357 HW2 SOL 1928 60.390 27.850 13.340 1.00 0.00 H +ATOM 7358 OW SOL 1929 6.260 44.400 2.760 1.00 0.00 O +ATOM 7359 HW1 SOL 1929 6.370 45.230 2.300 1.00 0.00 H +ATOM 7360 HW2 SOL 1929 7.060 44.300 3.270 1.00 0.00 H +ATOM 7361 OW SOL 1930 49.590 42.290 36.640 1.00 0.00 O +ATOM 7362 HW1 SOL 1930 50.530 42.200 36.790 1.00 0.00 H +ATOM 7363 HW2 SOL 1930 49.220 41.460 36.930 1.00 0.00 H +ATOM 7364 OW SOL 1931 15.970 57.620 49.250 1.00 0.00 O +ATOM 7365 HW1 SOL 1931 16.130 57.370 48.330 1.00 0.00 H +ATOM 7366 HW2 SOL 1931 15.410 56.920 49.590 1.00 0.00 H +ATOM 7367 OW SOL 1932 54.180 43.510 53.210 1.00 0.00 O +ATOM 7368 HW1 SOL 1932 53.950 43.660 52.290 1.00 0.00 H +ATOM 7369 HW2 SOL 1932 54.960 44.050 53.350 1.00 0.00 H +ATOM 7370 OW SOL 1933 33.240 13.750 26.470 1.00 0.00 O +ATOM 7371 HW1 SOL 1933 32.870 13.030 25.970 1.00 0.00 H +ATOM 7372 HW2 SOL 1933 32.560 13.980 27.100 1.00 0.00 H +ATOM 7373 OW SOL 1934 29.520 61.290 40.670 1.00 0.00 O +ATOM 7374 HW1 SOL 1934 29.880 61.870 41.340 1.00 0.00 H +ATOM 7375 HW2 SOL 1934 28.830 61.810 40.250 1.00 0.00 H +ATOM 7376 OW SOL 1935 55.550 15.130 44.490 1.00 0.00 O +ATOM 7377 HW1 SOL 1935 55.400 15.340 45.410 1.00 0.00 H +ATOM 7378 HW2 SOL 1935 54.790 14.620 44.220 1.00 0.00 H +ATOM 7379 OW SOL 1936 42.080 31.610 21.770 1.00 0.00 O +ATOM 7380 HW1 SOL 1936 41.410 30.950 21.600 1.00 0.00 H +ATOM 7381 HW2 SOL 1936 42.130 32.130 20.970 1.00 0.00 H +ATOM 7382 OW SOL 1937 21.760 23.750 43.030 1.00 0.00 O +ATOM 7383 HW1 SOL 1937 21.420 24.290 43.740 1.00 0.00 H +ATOM 7384 HW2 SOL 1937 22.690 23.640 43.240 1.00 0.00 H +ATOM 7385 OW SOL 1938 30.230 32.470 41.160 1.00 0.00 O +ATOM 7386 HW1 SOL 1938 31.030 31.990 40.970 1.00 0.00 H +ATOM 7387 HW2 SOL 1938 30.480 33.390 41.070 1.00 0.00 H +ATOM 7388 OW SOL 1939 25.360 39.920 3.890 1.00 0.00 O +ATOM 7389 HW1 SOL 1939 25.990 40.070 4.600 1.00 0.00 H +ATOM 7390 HW2 SOL 1939 25.600 40.570 3.220 1.00 0.00 H +ATOM 7391 OW SOL 1940 42.980 35.870 9.380 1.00 0.00 O +ATOM 7392 HW1 SOL 1940 42.030 35.800 9.330 1.00 0.00 H +ATOM 7393 HW2 SOL 1940 43.200 36.650 8.860 1.00 0.00 H +ATOM 7394 OW SOL 1941 33.650 34.630 5.610 1.00 0.00 O +ATOM 7395 HW1 SOL 1941 33.480 35.320 4.960 1.00 0.00 H +ATOM 7396 HW2 SOL 1941 32.980 33.970 5.430 1.00 0.00 H +ATOM 7397 OW SOL 1942 44.880 4.300 36.990 1.00 0.00 O +ATOM 7398 HW1 SOL 1942 44.300 4.210 36.230 1.00 0.00 H +ATOM 7399 HW2 SOL 1942 45.330 5.130 36.850 1.00 0.00 H +ATOM 7400 OW SOL 1943 56.120 57.390 8.060 1.00 0.00 O +ATOM 7401 HW1 SOL 1943 56.640 57.380 8.870 1.00 0.00 H +ATOM 7402 HW2 SOL 1943 56.660 57.890 7.440 1.00 0.00 H +ATOM 7403 OW SOL 1944 53.880 12.580 49.330 1.00 0.00 O +ATOM 7404 HW1 SOL 1944 54.720 12.180 49.110 1.00 0.00 H +ATOM 7405 HW2 SOL 1944 53.330 12.410 48.570 1.00 0.00 H +ATOM 7406 OW SOL 1945 9.510 18.360 29.810 1.00 0.00 O +ATOM 7407 HW1 SOL 1945 10.130 18.700 30.460 1.00 0.00 H +ATOM 7408 HW2 SOL 1945 9.670 17.420 29.790 1.00 0.00 H +ATOM 7409 OW SOL 1946 14.230 30.580 18.430 1.00 0.00 O +ATOM 7410 HW1 SOL 1946 15.020 30.040 18.470 1.00 0.00 H +ATOM 7411 HW2 SOL 1946 13.780 30.400 19.250 1.00 0.00 H +ATOM 7412 OW SOL 1947 50.200 51.640 30.760 1.00 0.00 O +ATOM 7413 HW1 SOL 1947 50.780 52.290 31.160 1.00 0.00 H +ATOM 7414 HW2 SOL 1947 49.670 52.150 30.140 1.00 0.00 H +ATOM 7415 OW SOL 1948 10.490 22.840 27.540 1.00 0.00 O +ATOM 7416 HW1 SOL 1948 10.210 23.750 27.430 1.00 0.00 H +ATOM 7417 HW2 SOL 1948 9.720 22.380 27.860 1.00 0.00 H +ATOM 7418 OW SOL 1949 40.640 19.890 5.850 1.00 0.00 O +ATOM 7419 HW1 SOL 1949 41.060 20.480 6.480 1.00 0.00 H +ATOM 7420 HW2 SOL 1949 39.700 19.970 6.050 1.00 0.00 H +ATOM 7421 OW SOL 1950 25.180 29.460 18.470 1.00 0.00 O +ATOM 7422 HW1 SOL 1950 24.620 29.910 19.090 1.00 0.00 H +ATOM 7423 HW2 SOL 1950 24.780 28.590 18.380 1.00 0.00 H +ATOM 7424 OW SOL 1951 40.700 3.000 16.880 1.00 0.00 O +ATOM 7425 HW1 SOL 1951 40.250 2.960 17.730 1.00 0.00 H +ATOM 7426 HW2 SOL 1951 40.670 2.110 16.550 1.00 0.00 H +ATOM 7427 OW SOL 1952 53.540 16.860 16.710 1.00 0.00 O +ATOM 7428 HW1 SOL 1952 53.250 17.480 16.040 1.00 0.00 H +ATOM 7429 HW2 SOL 1952 54.070 16.230 16.230 1.00 0.00 H +ATOM 7430 OW SOL 1953 8.260 60.850 33.060 1.00 0.00 O +ATOM 7431 HW1 SOL 1953 8.400 61.800 33.090 1.00 0.00 H +ATOM 7432 HW2 SOL 1953 9.060 60.490 33.450 1.00 0.00 H +ATOM 7433 OW SOL 1954 24.760 16.260 35.160 1.00 0.00 O +ATOM 7434 HW1 SOL 1954 25.180 15.680 34.530 1.00 0.00 H +ATOM 7435 HW2 SOL 1954 24.070 16.700 34.660 1.00 0.00 H +ATOM 7436 OW SOL 1955 18.170 9.040 52.150 1.00 0.00 O +ATOM 7437 HW1 SOL 1955 17.680 9.780 51.770 1.00 0.00 H +ATOM 7438 HW2 SOL 1955 18.150 8.370 51.470 1.00 0.00 H +ATOM 7439 OW SOL 1956 12.670 8.580 22.660 1.00 0.00 O +ATOM 7440 HW1 SOL 1956 13.530 8.950 22.480 1.00 0.00 H +ATOM 7441 HW2 SOL 1956 12.510 7.970 21.940 1.00 0.00 H +ATOM 7442 OW SOL 1957 30.390 3.820 35.270 1.00 0.00 O +ATOM 7443 HW1 SOL 1957 30.840 3.260 35.900 1.00 0.00 H +ATOM 7444 HW2 SOL 1957 29.670 3.280 34.940 1.00 0.00 H +ATOM 7445 OW SOL 1958 35.340 21.580 27.570 1.00 0.00 O +ATOM 7446 HW1 SOL 1958 34.890 20.860 27.130 1.00 0.00 H +ATOM 7447 HW2 SOL 1958 35.090 22.360 27.080 1.00 0.00 H +ATOM 7448 OW SOL 1959 18.630 54.740 48.370 1.00 0.00 O +ATOM 7449 HW1 SOL 1959 18.700 53.960 47.820 1.00 0.00 H +ATOM 7450 HW2 SOL 1959 18.600 55.470 47.750 1.00 0.00 H +ATOM 7451 OW SOL 1960 42.970 28.300 40.520 1.00 0.00 O +ATOM 7452 HW1 SOL 1960 42.330 28.090 41.210 1.00 0.00 H +ATOM 7453 HW2 SOL 1960 43.380 27.460 40.320 1.00 0.00 H +ATOM 7454 OW SOL 1961 15.910 25.540 4.310 1.00 0.00 O +ATOM 7455 HW1 SOL 1961 15.000 25.790 4.170 1.00 0.00 H +ATOM 7456 HW2 SOL 1961 15.980 25.410 5.260 1.00 0.00 H +ATOM 7457 OW SOL 1962 46.350 47.760 21.800 1.00 0.00 O +ATOM 7458 HW1 SOL 1962 46.530 48.200 20.960 1.00 0.00 H +ATOM 7459 HW2 SOL 1962 46.720 48.350 22.460 1.00 0.00 H +ATOM 7460 OW SOL 1963 59.870 42.590 44.730 1.00 0.00 O +ATOM 7461 HW1 SOL 1963 59.180 41.960 44.920 1.00 0.00 H +ATOM 7462 HW2 SOL 1963 60.540 42.420 45.390 1.00 0.00 H +ATOM 7463 OW SOL 1964 12.260 23.560 9.890 1.00 0.00 O +ATOM 7464 HW1 SOL 1964 12.980 23.280 10.460 1.00 0.00 H +ATOM 7465 HW2 SOL 1964 12.580 24.350 9.460 1.00 0.00 H +ATOM 7466 OW SOL 1965 52.910 38.840 33.970 1.00 0.00 O +ATOM 7467 HW1 SOL 1965 53.520 38.110 33.970 1.00 0.00 H +ATOM 7468 HW2 SOL 1965 52.280 38.620 34.670 1.00 0.00 H +ATOM 7469 OW SOL 1966 57.890 4.350 30.610 1.00 0.00 O +ATOM 7470 HW1 SOL 1966 57.190 3.720 30.420 1.00 0.00 H +ATOM 7471 HW2 SOL 1966 58.690 3.900 30.350 1.00 0.00 H +ATOM 7472 OW SOL 1967 32.250 26.080 41.900 1.00 0.00 O +ATOM 7473 HW1 SOL 1967 32.310 27.030 41.920 1.00 0.00 H +ATOM 7474 HW2 SOL 1967 32.830 25.790 42.600 1.00 0.00 H +ATOM 7475 OW SOL 1968 63.920 43.150 9.650 1.00 0.00 O +ATOM 7476 HW1 SOL 1968 63.430 43.210 8.820 1.00 0.00 H +ATOM 7477 HW2 SOL 1968 64.390 42.320 9.590 1.00 0.00 H +ATOM 7478 OW SOL 1969 8.260 39.790 41.960 1.00 0.00 O +ATOM 7479 HW1 SOL 1969 7.370 39.640 41.650 1.00 0.00 H +ATOM 7480 HW2 SOL 1969 8.160 40.020 42.880 1.00 0.00 H +ATOM 7481 OW SOL 1970 30.240 58.970 46.760 1.00 0.00 O +ATOM 7482 HW1 SOL 1970 29.720 58.770 47.540 1.00 0.00 H +ATOM 7483 HW2 SOL 1970 29.820 59.740 46.380 1.00 0.00 H +ATOM 7484 OW SOL 1971 65.010 10.800 5.790 1.00 0.00 O +ATOM 7485 HW1 SOL 1971 65.050 10.240 5.010 1.00 0.00 H +ATOM 7486 HW2 SOL 1971 64.830 11.670 5.440 1.00 0.00 H +ATOM 7487 OW SOL 1972 29.280 4.080 32.380 1.00 0.00 O +ATOM 7488 HW1 SOL 1972 29.030 4.820 32.940 1.00 0.00 H +ATOM 7489 HW2 SOL 1972 29.420 4.480 31.520 1.00 0.00 H +ATOM 7490 OW SOL 1973 31.950 12.110 17.290 1.00 0.00 O +ATOM 7491 HW1 SOL 1973 31.210 11.950 17.880 1.00 0.00 H +ATOM 7492 HW2 SOL 1973 32.630 11.500 17.590 1.00 0.00 H +ATOM 7493 OW SOL 1974 29.240 11.040 29.460 1.00 0.00 O +ATOM 7494 HW1 SOL 1974 28.870 11.770 28.970 1.00 0.00 H +ATOM 7495 HW2 SOL 1974 28.970 10.260 28.960 1.00 0.00 H +ATOM 7496 OW SOL 1975 20.510 36.600 26.260 1.00 0.00 O +ATOM 7497 HW1 SOL 1975 19.660 36.170 26.320 1.00 0.00 H +ATOM 7498 HW2 SOL 1975 20.340 37.400 25.760 1.00 0.00 H +ATOM 7499 OW SOL 1976 34.640 10.140 20.590 1.00 0.00 O +ATOM 7500 HW1 SOL 1976 35.340 10.350 19.970 1.00 0.00 H +ATOM 7501 HW2 SOL 1976 35.050 10.230 21.450 1.00 0.00 H +ATOM 7502 OW SOL 1977 50.740 48.330 8.410 1.00 0.00 O +ATOM 7503 HW1 SOL 1977 51.390 48.750 7.840 1.00 0.00 H +ATOM 7504 HW2 SOL 1977 51.250 47.930 9.110 1.00 0.00 H +ATOM 7505 OW SOL 1978 16.900 53.640 44.300 1.00 0.00 O +ATOM 7506 HW1 SOL 1978 16.910 52.820 43.810 1.00 0.00 H +ATOM 7507 HW2 SOL 1978 16.060 54.040 44.080 1.00 0.00 H +ATOM 7508 OW SOL 1979 4.040 50.240 13.120 1.00 0.00 O +ATOM 7509 HW1 SOL 1979 4.310 50.990 13.650 1.00 0.00 H +ATOM 7510 HW2 SOL 1979 3.230 49.930 13.540 1.00 0.00 H +ATOM 7511 OW SOL 1980 63.760 16.890 0.170 1.00 0.00 O +ATOM 7512 HW1 SOL 1980 63.100 16.770 0.850 1.00 0.00 H +ATOM 7513 HW2 SOL 1980 63.450 17.630 -0.350 1.00 0.00 H +ATOM 7514 OW SOL 1981 10.330 44.010 45.950 1.00 0.00 O +ATOM 7515 HW1 SOL 1981 9.480 44.440 45.920 1.00 0.00 H +ATOM 7516 HW2 SOL 1981 10.820 44.470 46.630 1.00 0.00 H +ATOM 7517 OW SOL 1982 10.680 12.390 52.550 1.00 0.00 O +ATOM 7518 HW1 SOL 1982 10.860 11.980 51.700 1.00 0.00 H +ATOM 7519 HW2 SOL 1982 10.760 11.670 53.180 1.00 0.00 H +ATOM 7520 OW SOL 1983 44.604 61.852 1.290 1.00 0.00 O +ATOM 7521 HW1 SOL 1983 44.254 62.582 0.780 1.00 0.00 H +ATOM 7522 HW2 SOL 1983 44.794 61.182 0.640 1.00 0.00 H +ATOM 7523 OW SOL 1984 47.470 51.690 45.570 1.00 0.00 O +ATOM 7524 HW1 SOL 1984 47.110 52.070 46.370 1.00 0.00 H +ATOM 7525 HW2 SOL 1984 48.230 52.240 45.370 1.00 0.00 H +ATOM 7526 OW SOL 1985 16.790 18.620 5.890 1.00 0.00 O +ATOM 7527 HW1 SOL 1985 16.790 19.490 6.280 1.00 0.00 H +ATOM 7528 HW2 SOL 1985 17.340 18.700 5.110 1.00 0.00 H +ATOM 7529 OW SOL 1986 64.070 26.450 35.600 1.00 0.00 O +ATOM 7530 HW1 SOL 1986 63.410 25.780 35.810 1.00 0.00 H +ATOM 7531 HW2 SOL 1986 64.430 26.170 34.760 1.00 0.00 H +ATOM 7532 OW SOL 1987 2.870 5.000 13.290 1.00 0.00 O +ATOM 7533 HW1 SOL 1987 2.050 5.480 13.340 1.00 0.00 H +ATOM 7534 HW2 SOL 1987 3.490 5.510 13.810 1.00 0.00 H +ATOM 7535 OW SOL 1988 44.840 50.730 51.710 1.00 0.00 O +ATOM 7536 HW1 SOL 1988 44.290 50.750 50.930 1.00 0.00 H +ATOM 7537 HW2 SOL 1988 45.360 49.930 51.620 1.00 0.00 H +ATOM 7538 OW SOL 1989 42.120 21.940 0.960 1.00 0.00 O +ATOM 7539 HW1 SOL 1989 41.740 21.970 1.830 1.00 0.00 H +ATOM 7540 HW2 SOL 1989 42.610 21.120 0.930 1.00 0.00 H +ATOM 7541 OW SOL 1990 3.010 40.920 33.690 1.00 0.00 O +ATOM 7542 HW1 SOL 1990 2.470 40.570 34.400 1.00 0.00 H +ATOM 7543 HW2 SOL 1990 3.790 41.260 34.120 1.00 0.00 H +ATOM 7544 OW SOL 1991 10.700 4.850 52.290 1.00 0.00 O +ATOM 7545 HW1 SOL 1991 10.430 5.720 51.970 1.00 0.00 H +ATOM 7546 HW2 SOL 1991 9.880 4.390 52.450 1.00 0.00 H +ATOM 7547 OW SOL 1992 15.790 6.320 31.350 1.00 0.00 O +ATOM 7548 HW1 SOL 1992 15.390 5.460 31.220 1.00 0.00 H +ATOM 7549 HW2 SOL 1992 15.090 6.860 31.710 1.00 0.00 H +ATOM 7550 OW SOL 1993 42.610 46.950 25.040 1.00 0.00 O +ATOM 7551 HW1 SOL 1993 42.160 46.440 25.720 1.00 0.00 H +ATOM 7552 HW2 SOL 1993 42.740 47.810 25.430 1.00 0.00 H +ATOM 7553 OW SOL 1994 7.070 49.970 2.080 1.00 0.00 O +ATOM 7554 HW1 SOL 1994 7.550 50.780 1.910 1.00 0.00 H +ATOM 7555 HW2 SOL 1994 6.250 50.060 1.580 1.00 0.00 H +ATOM 7556 OW SOL 1995 43.720 54.160 12.940 1.00 0.00 O +ATOM 7557 HW1 SOL 1995 43.210 54.180 13.750 1.00 0.00 H +ATOM 7558 HW2 SOL 1995 43.450 54.930 12.460 1.00 0.00 H +ATOM 7559 OW SOL 1996 47.140 56.870 51.190 1.00 0.00 O +ATOM 7560 HW1 SOL 1996 47.470 56.270 50.520 1.00 0.00 H +ATOM 7561 HW2 SOL 1996 47.030 56.320 51.970 1.00 0.00 H +ATOM 7562 OW SOL 1997 20.050 46.470 0.120 1.00 0.00 O +ATOM 7563 HW1 SOL 1997 19.210 46.810 -0.190 1.00 0.00 H +ATOM 7564 HW2 SOL 1997 20.450 47.210 0.570 1.00 0.00 H +ATOM 7565 OW SOL 1998 36.690 23.690 3.140 1.00 0.00 O +ATOM 7566 HW1 SOL 1998 35.990 23.300 2.620 1.00 0.00 H +ATOM 7567 HW2 SOL 1998 36.350 23.690 4.030 1.00 0.00 H +ATOM 7568 OW SOL 1999 61.570 53.790 42.140 1.00 0.00 O +ATOM 7569 HW1 SOL 1999 61.210 53.970 41.270 1.00 0.00 H +ATOM 7570 HW2 SOL 1999 61.000 54.270 42.740 1.00 0.00 H +ATOM 7571 OW SOL 2000 25.140 20.030 26.790 1.00 0.00 O +ATOM 7572 HW1 SOL 2000 25.700 20.470 27.430 1.00 0.00 H +ATOM 7573 HW2 SOL 2000 25.520 19.160 26.680 1.00 0.00 H +ATOM 7574 OW SOL 2001 31.310 29.080 13.630 1.00 0.00 O +ATOM 7575 HW1 SOL 2001 32.200 29.220 13.980 1.00 0.00 H +ATOM 7576 HW2 SOL 2001 31.080 29.910 13.230 1.00 0.00 H +ATOM 7577 OW SOL 2002 49.440 27.140 2.430 1.00 0.00 O +ATOM 7578 HW1 SOL 2002 49.240 27.100 1.500 1.00 0.00 H +ATOM 7579 HW2 SOL 2002 49.200 26.280 2.770 1.00 0.00 H +ATOM 7580 OW SOL 2003 28.240 23.970 50.680 1.00 0.00 O +ATOM 7581 HW1 SOL 2003 28.660 23.130 50.460 1.00 0.00 H +ATOM 7582 HW2 SOL 2003 28.520 24.550 49.970 1.00 0.00 H +ATOM 7583 OW SOL 2004 28.030 15.820 22.160 1.00 0.00 O +ATOM 7584 HW1 SOL 2004 28.550 15.100 21.780 1.00 0.00 H +ATOM 7585 HW2 SOL 2004 27.410 16.050 21.480 1.00 0.00 H +ATOM 7586 OW SOL 2005 27.900 20.930 26.000 1.00 0.00 O +ATOM 7587 HW1 SOL 2005 27.890 21.630 25.350 1.00 0.00 H +ATOM 7588 HW2 SOL 2005 27.320 20.260 25.650 1.00 0.00 H +ATOM 7589 OW SOL 2006 36.780 10.180 27.280 1.00 0.00 O +ATOM 7590 HW1 SOL 2006 37.500 10.760 27.010 1.00 0.00 H +ATOM 7591 HW2 SOL 2006 36.900 9.390 26.760 1.00 0.00 H +ATOM 7592 OW SOL 2007 42.740 24.980 28.510 1.00 0.00 O +ATOM 7593 HW1 SOL 2007 43.460 25.580 28.320 1.00 0.00 H +ATOM 7594 HW2 SOL 2007 42.870 24.720 29.420 1.00 0.00 H +ATOM 7595 OW SOL 2008 60.690 17.630 32.840 1.00 0.00 O +ATOM 7596 HW1 SOL 2008 60.580 18.570 32.780 1.00 0.00 H +ATOM 7597 HW2 SOL 2008 60.600 17.440 33.780 1.00 0.00 H +ATOM 7598 OW SOL 2009 3.950 17.830 6.830 1.00 0.00 O +ATOM 7599 HW1 SOL 2009 3.910 18.710 6.450 1.00 0.00 H +ATOM 7600 HW2 SOL 2009 4.500 17.920 7.610 1.00 0.00 H +ATOM 7601 OW SOL 2010 25.870 15.030 28.950 1.00 0.00 O +ATOM 7602 HW1 SOL 2010 25.710 15.450 29.790 1.00 0.00 H +ATOM 7603 HW2 SOL 2010 25.100 14.480 28.810 1.00 0.00 H +ATOM 7604 OW SOL 2011 15.740 40.890 52.210 1.00 0.00 O +ATOM 7605 HW1 SOL 2011 16.680 40.710 52.290 1.00 0.00 H +ATOM 7606 HW2 SOL 2011 15.670 41.850 52.260 1.00 0.00 H +ATOM 7607 OW SOL 2012 44.020 10.660 48.320 1.00 0.00 O +ATOM 7608 HW1 SOL 2012 44.790 10.080 48.310 1.00 0.00 H +ATOM 7609 HW2 SOL 2012 43.730 10.660 49.230 1.00 0.00 H +ATOM 7610 OW SOL 2013 61.270 46.830 42.410 1.00 0.00 O +ATOM 7611 HW1 SOL 2013 61.620 46.040 42.840 1.00 0.00 H +ATOM 7612 HW2 SOL 2013 60.440 46.990 42.850 1.00 0.00 H +ATOM 7613 OW SOL 2014 2.000 23.420 51.350 1.00 0.00 O +ATOM 7614 HW1 SOL 2014 2.600 23.190 50.640 1.00 0.00 H +ATOM 7615 HW2 SOL 2014 2.410 24.170 51.780 1.00 0.00 H +ATOM 7616 OW SOL 2015 4.860 42.630 31.950 1.00 0.00 O +ATOM 7617 HW1 SOL 2015 4.930 43.250 31.230 1.00 0.00 H +ATOM 7618 HW2 SOL 2015 4.320 43.080 32.600 1.00 0.00 H +ATOM 7619 OW SOL 2016 58.670 13.930 16.630 1.00 0.00 O +ATOM 7620 HW1 SOL 2016 57.770 14.180 16.820 1.00 0.00 H +ATOM 7621 HW2 SOL 2016 59.010 14.650 16.090 1.00 0.00 H +ATOM 7622 OW SOL 2017 39.950 46.270 51.450 1.00 0.00 O +ATOM 7623 HW1 SOL 2017 40.500 45.560 51.110 1.00 0.00 H +ATOM 7624 HW2 SOL 2017 40.440 46.600 52.210 1.00 0.00 H +ATOM 7625 OW SOL 2018 1.720 20.650 35.820 1.00 0.00 O +ATOM 7626 HW1 SOL 2018 0.810 20.380 35.760 1.00 0.00 H +ATOM 7627 HW2 SOL 2018 1.940 20.970 34.950 1.00 0.00 H +ATOM 7628 OW SOL 2019 44.230 52.400 24.940 1.00 0.00 O +ATOM 7629 HW1 SOL 2019 43.640 52.560 24.200 1.00 0.00 H +ATOM 7630 HW2 SOL 2019 44.480 53.270 25.240 1.00 0.00 H +ATOM 7631 OW SOL 2020 46.110 57.130 6.580 1.00 0.00 O +ATOM 7632 HW1 SOL 2020 47.030 56.960 6.770 1.00 0.00 H +ATOM 7633 HW2 SOL 2020 45.690 57.150 7.440 1.00 0.00 H +ATOM 7634 OW SOL 2021 34.960 27.770 28.750 1.00 0.00 O +ATOM 7635 HW1 SOL 2021 34.300 27.110 28.950 1.00 0.00 H +ATOM 7636 HW2 SOL 2021 34.870 28.420 29.450 1.00 0.00 H +ATOM 7637 OW SOL 2022 48.070 24.880 6.430 1.00 0.00 O +ATOM 7638 HW1 SOL 2022 48.420 25.530 7.030 1.00 0.00 H +ATOM 7639 HW2 SOL 2022 48.160 24.050 6.900 1.00 0.00 H +ATOM 7640 OW SOL 2023 52.520 55.310 13.930 1.00 0.00 O +ATOM 7641 HW1 SOL 2023 51.690 55.790 13.910 1.00 0.00 H +ATOM 7642 HW2 SOL 2023 52.260 54.390 14.030 1.00 0.00 H +ATOM 7643 OW SOL 2024 44.320 54.470 8.840 1.00 0.00 O +ATOM 7644 HW1 SOL 2024 44.560 54.030 8.030 1.00 0.00 H +ATOM 7645 HW2 SOL 2024 43.830 53.810 9.340 1.00 0.00 H +ATOM 7646 OW SOL 2025 9.180 5.650 39.430 1.00 0.00 O +ATOM 7647 HW1 SOL 2025 8.410 5.720 39.990 1.00 0.00 H +ATOM 7648 HW2 SOL 2025 9.920 5.700 40.030 1.00 0.00 H +ATOM 7649 OW SOL 2026 37.650 52.100 2.670 1.00 0.00 O +ATOM 7650 HW1 SOL 2026 37.820 53.040 2.570 1.00 0.00 H +ATOM 7651 HW2 SOL 2026 36.830 51.950 2.200 1.00 0.00 H +ATOM 7652 OW SOL 2027 7.270 36.220 41.120 1.00 0.00 O +ATOM 7653 HW1 SOL 2027 7.180 37.140 41.380 1.00 0.00 H +ATOM 7654 HW2 SOL 2027 7.300 35.740 41.950 1.00 0.00 H +ATOM 7655 OW SOL 2028 17.680 40.970 19.370 1.00 0.00 O +ATOM 7656 HW1 SOL 2028 18.560 40.600 19.250 1.00 0.00 H +ATOM 7657 HW2 SOL 2028 17.560 41.530 18.600 1.00 0.00 H +ATOM 7658 OW SOL 2029 26.720 2.050 41.150 1.00 0.00 O +ATOM 7659 HW1 SOL 2029 26.730 2.290 42.080 1.00 0.00 H +ATOM 7660 HW2 SOL 2029 27.400 1.390 41.060 1.00 0.00 H +ATOM 7661 OW SOL 2030 0.760 19.170 53.190 1.00 0.00 O +ATOM 7662 HW1 SOL 2030 0.520 20.080 53.400 1.00 0.00 H +ATOM 7663 HW2 SOL 2030 0.490 19.050 52.290 1.00 0.00 H +ATOM 7664 OW SOL 2031 44.000 51.240 33.120 1.00 0.00 O +ATOM 7665 HW1 SOL 2031 43.510 51.490 33.890 1.00 0.00 H +ATOM 7666 HW2 SOL 2031 44.460 50.440 33.370 1.00 0.00 H +ATOM 7667 OW SOL 2032 3.400 2.880 44.490 1.00 0.00 O +ATOM 7668 HW1 SOL 2032 4.310 3.180 44.590 1.00 0.00 H +ATOM 7669 HW2 SOL 2032 2.950 3.210 45.260 1.00 0.00 H +ATOM 7670 OW SOL 2033 27.810 18.980 33.560 1.00 0.00 O +ATOM 7671 HW1 SOL 2033 28.260 19.060 34.400 1.00 0.00 H +ATOM 7672 HW2 SOL 2033 28.440 18.560 32.980 1.00 0.00 H +ATOM 7673 OW SOL 2034 25.640 4.340 40.190 1.00 0.00 O +ATOM 7674 HW1 SOL 2034 25.910 3.550 40.660 1.00 0.00 H +ATOM 7675 HW2 SOL 2034 25.470 4.980 40.890 1.00 0.00 H +ATOM 7676 OW SOL 2035 3.750 44.870 43.820 1.00 0.00 O +ATOM 7677 HW1 SOL 2035 4.210 45.530 44.330 1.00 0.00 H +ATOM 7678 HW2 SOL 2035 3.660 45.250 42.950 1.00 0.00 H +ATOM 7679 OW SOL 2036 34.330 18.320 43.140 1.00 0.00 O +ATOM 7680 HW1 SOL 2036 33.910 18.790 42.420 1.00 0.00 H +ATOM 7681 HW2 SOL 2036 34.600 19.000 43.750 1.00 0.00 H +ATOM 7682 OW SOL 2037 55.490 33.580 47.820 1.00 0.00 O +ATOM 7683 HW1 SOL 2037 56.400 33.860 47.910 1.00 0.00 H +ATOM 7684 HW2 SOL 2037 55.050 33.960 48.580 1.00 0.00 H +ATOM 7685 OW SOL 2038 26.050 58.850 1.670 1.00 0.00 O +ATOM 7686 HW1 SOL 2038 26.170 58.810 2.620 1.00 0.00 H +ATOM 7687 HW2 SOL 2038 25.240 59.350 1.550 1.00 0.00 H +ATOM 7688 OW SOL 2039 22.620 57.460 6.300 1.00 0.00 O +ATOM 7689 HW1 SOL 2039 21.710 57.250 6.510 1.00 0.00 H +ATOM 7690 HW2 SOL 2039 22.730 58.360 6.610 1.00 0.00 H +ATOM 7691 OW SOL 2040 55.570 35.690 38.890 1.00 0.00 O +ATOM 7692 HW1 SOL 2040 55.590 36.450 39.470 1.00 0.00 H +ATOM 7693 HW2 SOL 2040 55.690 36.060 38.010 1.00 0.00 H +ATOM 7694 OW SOL 2041 45.350 28.350 21.850 1.00 0.00 O +ATOM 7695 HW1 SOL 2041 45.300 27.400 21.800 1.00 0.00 H +ATOM 7696 HW2 SOL 2041 44.590 28.660 21.340 1.00 0.00 H +ATOM 7697 OW SOL 2042 25.590 39.430 52.700 1.00 0.00 O +ATOM 7698 HW1 SOL 2042 26.280 39.770 52.120 1.00 0.00 H +ATOM 7699 HW2 SOL 2042 24.860 40.030 52.570 1.00 0.00 H +ATOM 7700 OW SOL 2043 41.080 26.860 6.890 1.00 0.00 O +ATOM 7701 HW1 SOL 2043 41.970 26.630 7.140 1.00 0.00 H +ATOM 7702 HW2 SOL 2043 40.540 26.160 7.260 1.00 0.00 H +ATOM 7703 OW SOL 2044 56.070 9.900 9.090 1.00 0.00 O +ATOM 7704 HW1 SOL 2044 55.880 9.200 8.470 1.00 0.00 H +ATOM 7705 HW2 SOL 2044 55.420 10.570 8.890 1.00 0.00 H +ATOM 7706 OW SOL 2045 65.220 25.320 15.990 1.00 0.00 O +ATOM 7707 HW1 SOL 2045 64.960 26.200 16.260 1.00 0.00 H +ATOM 7708 HW2 SOL 2045 64.410 24.890 15.730 1.00 0.00 H +ATOM 7709 OW SOL 2046 65.660 9.150 3.330 1.00 0.00 O +ATOM 7710 HW1 SOL 2046 65.670 9.700 2.540 1.00 0.00 H +ATOM 7711 HW2 SOL 2046 64.980 8.500 3.160 1.00 0.00 H +ATOM 7712 OW SOL 2047 28.530 27.270 42.240 1.00 0.00 O +ATOM 7713 HW1 SOL 2047 28.730 28.110 41.830 1.00 0.00 H +ATOM 7714 HW2 SOL 2047 28.640 27.440 43.180 1.00 0.00 H +ATOM 7715 OW SOL 2048 28.720 7.880 25.400 1.00 0.00 O +ATOM 7716 HW1 SOL 2048 28.180 7.100 25.500 1.00 0.00 H +ATOM 7717 HW2 SOL 2048 28.240 8.560 25.860 1.00 0.00 H +ATOM 7718 OW SOL 2049 24.520 13.370 31.880 1.00 0.00 O +ATOM 7719 HW1 SOL 2049 24.900 14.250 31.830 1.00 0.00 H +ATOM 7720 HW2 SOL 2049 23.740 13.480 32.430 1.00 0.00 H +ATOM 7721 OW SOL 2050 57.460 33.020 25.920 1.00 0.00 O +ATOM 7722 HW1 SOL 2050 57.420 33.970 25.780 1.00 0.00 H +ATOM 7723 HW2 SOL 2050 57.610 32.660 25.050 1.00 0.00 H +ATOM 7724 OW SOL 2051 32.150 46.550 45.300 1.00 0.00 O +ATOM 7725 HW1 SOL 2051 31.240 46.480 45.010 1.00 0.00 H +ATOM 7726 HW2 SOL 2051 32.500 47.300 44.820 1.00 0.00 H +ATOM 7727 OW SOL 2052 1.700 9.050 17.630 1.00 0.00 O +ATOM 7728 HW1 SOL 2052 1.250 9.880 17.460 1.00 0.00 H +ATOM 7729 HW2 SOL 2052 2.360 8.980 16.940 1.00 0.00 H +ATOM 7730 OW SOL 2053 10.240 60.990 38.550 1.00 0.00 O +ATOM 7731 HW1 SOL 2053 10.820 60.310 38.890 1.00 0.00 H +ATOM 7732 HW2 SOL 2053 10.460 61.770 39.070 1.00 0.00 H +ATOM 7733 OW SOL 2054 25.930 10.320 49.470 1.00 0.00 O +ATOM 7734 HW1 SOL 2054 25.730 11.240 49.280 1.00 0.00 H +ATOM 7735 HW2 SOL 2054 26.160 10.310 50.400 1.00 0.00 H +ATOM 7736 OW SOL 2055 60.560 31.400 27.580 1.00 0.00 O +ATOM 7737 HW1 SOL 2055 60.230 30.740 28.190 1.00 0.00 H +ATOM 7738 HW2 SOL 2055 60.330 31.070 26.720 1.00 0.00 H +ATOM 7739 OW SOL 2056 45.090 14.360 0.270 1.00 0.00 O +ATOM 7740 HW1 SOL 2056 45.200 13.790 1.040 1.00 0.00 H +ATOM 7741 HW2 SOL 2056 44.330 14.000 -0.190 1.00 0.00 H +ATOM 7742 OW SOL 2057 51.270 52.450 20.510 1.00 0.00 O +ATOM 7743 HW1 SOL 2057 50.810 51.980 19.810 1.00 0.00 H +ATOM 7744 HW2 SOL 2057 50.570 52.750 21.090 1.00 0.00 H +ATOM 7745 OW SOL 2058 21.940 57.560 50.390 1.00 0.00 O +ATOM 7746 HW1 SOL 2058 22.070 58.380 49.900 1.00 0.00 H +ATOM 7747 HW2 SOL 2058 21.570 57.840 51.220 1.00 0.00 H +ATOM 7748 OW SOL 2059 42.190 49.700 46.040 1.00 0.00 O +ATOM 7749 HW1 SOL 2059 41.540 49.680 46.740 1.00 0.00 H +ATOM 7750 HW2 SOL 2059 41.710 49.430 45.260 1.00 0.00 H +ATOM 7751 OW SOL 2060 23.780 13.930 39.790 1.00 0.00 O +ATOM 7752 HW1 SOL 2060 23.570 14.450 39.020 1.00 0.00 H +ATOM 7753 HW2 SOL 2060 24.470 13.330 39.500 1.00 0.00 H +ATOM 7754 OW SOL 2061 27.580 27.110 26.350 1.00 0.00 O +ATOM 7755 HW1 SOL 2061 27.770 26.730 25.500 1.00 0.00 H +ATOM 7756 HW2 SOL 2061 27.660 28.050 26.220 1.00 0.00 H +ATOM 7757 OW SOL 2062 3.000 20.370 3.250 1.00 0.00 O +ATOM 7758 HW1 SOL 2062 2.750 20.170 2.350 1.00 0.00 H +ATOM 7759 HW2 SOL 2062 2.450 19.790 3.790 1.00 0.00 H +ATOM 7760 OW SOL 2063 50.060 35.610 49.380 1.00 0.00 O +ATOM 7761 HW1 SOL 2063 49.880 35.210 48.530 1.00 0.00 H +ATOM 7762 HW2 SOL 2063 49.200 35.890 49.710 1.00 0.00 H +ATOM 7763 OW SOL 2064 44.510 50.160 47.760 1.00 0.00 O +ATOM 7764 HW1 SOL 2064 44.820 51.060 47.730 1.00 0.00 H +ATOM 7765 HW2 SOL 2064 43.690 50.170 47.260 1.00 0.00 H +ATOM 7766 OW SOL 2065 52.260 28.940 38.060 1.00 0.00 O +ATOM 7767 HW1 SOL 2065 53.050 28.650 37.590 1.00 0.00 H +ATOM 7768 HW2 SOL 2065 52.110 29.830 37.730 1.00 0.00 H +ATOM 7769 OW SOL 2066 23.750 39.900 8.530 1.00 0.00 O +ATOM 7770 HW1 SOL 2066 22.900 40.320 8.370 1.00 0.00 H +ATOM 7771 HW2 SOL 2066 24.210 40.510 9.100 1.00 0.00 H +ATOM 7772 OW SOL 2067 55.720 32.370 4.970 1.00 0.00 O +ATOM 7773 HW1 SOL 2067 55.110 31.640 4.900 1.00 0.00 H +ATOM 7774 HW2 SOL 2067 55.830 32.680 4.070 1.00 0.00 H +ATOM 7775 OW SOL 2068 29.730 7.220 9.630 1.00 0.00 O +ATOM 7776 HW1 SOL 2068 29.440 8.120 9.470 1.00 0.00 H +ATOM 7777 HW2 SOL 2068 29.140 6.890 10.310 1.00 0.00 H +ATOM 7778 OW SOL 2069 9.410 40.410 27.680 1.00 0.00 O +ATOM 7779 HW1 SOL 2069 8.620 40.790 27.280 1.00 0.00 H +ATOM 7780 HW2 SOL 2069 9.800 41.120 28.180 1.00 0.00 H +ATOM 7781 OW SOL 2070 65.190 36.600 51.050 1.00 0.00 O +ATOM 7782 HW1 SOL 2070 64.750 36.550 50.200 1.00 0.00 H +ATOM 7783 HW2 SOL 2070 66.090 36.850 50.850 1.00 0.00 H +ATOM 7784 OW SOL 2071 60.470 56.890 4.660 1.00 0.00 O +ATOM 7785 HW1 SOL 2071 61.250 56.430 4.960 1.00 0.00 H +ATOM 7786 HW2 SOL 2071 59.750 56.480 5.160 1.00 0.00 H +ATOM 7787 OW SOL 2072 22.050 21.250 27.010 1.00 0.00 O +ATOM 7788 HW1 SOL 2072 21.610 22.090 26.860 1.00 0.00 H +ATOM 7789 HW2 SOL 2072 22.930 21.370 26.650 1.00 0.00 H +ATOM 7790 OW SOL 2073 63.000 19.980 11.720 1.00 0.00 O +ATOM 7791 HW1 SOL 2073 62.900 20.820 11.270 1.00 0.00 H +ATOM 7792 HW2 SOL 2073 63.480 19.440 11.090 1.00 0.00 H +ATOM 7793 OW SOL 2074 2.960 28.670 17.590 1.00 0.00 O +ATOM 7794 HW1 SOL 2074 2.430 28.930 18.350 1.00 0.00 H +ATOM 7795 HW2 SOL 2074 3.810 29.070 17.750 1.00 0.00 H +ATOM 7796 OW SOL 2075 22.730 14.180 33.570 1.00 0.00 O +ATOM 7797 HW1 SOL 2075 21.820 13.890 33.660 1.00 0.00 H +ATOM 7798 HW2 SOL 2075 23.180 13.820 34.330 1.00 0.00 H +ATOM 7799 OW SOL 2076 33.360 53.540 50.340 1.00 0.00 O +ATOM 7800 HW1 SOL 2076 33.260 54.350 49.830 1.00 0.00 H +ATOM 7801 HW2 SOL 2076 33.450 52.850 49.680 1.00 0.00 H +ATOM 7802 OW SOL 2077 49.830 48.360 52.250 1.00 0.00 O +ATOM 7803 HW1 SOL 2077 49.180 48.380 51.550 1.00 0.00 H +ATOM 7804 HW2 SOL 2077 49.710 49.190 52.710 1.00 0.00 H +ATOM 7805 OW SOL 2078 14.630 16.750 12.080 1.00 0.00 O +ATOM 7806 HW1 SOL 2078 15.290 16.330 12.630 1.00 0.00 H +ATOM 7807 HW2 SOL 2078 15.140 17.270 11.460 1.00 0.00 H +ATOM 7808 OW SOL 2079 53.820 12.550 30.450 1.00 0.00 O +ATOM 7809 HW1 SOL 2079 53.240 12.780 29.720 1.00 0.00 H +ATOM 7810 HW2 SOL 2079 53.860 11.590 30.420 1.00 0.00 H +ATOM 7811 OW SOL 2080 9.350 49.280 12.010 1.00 0.00 O +ATOM 7812 HW1 SOL 2080 8.410 49.450 12.110 1.00 0.00 H +ATOM 7813 HW2 SOL 2080 9.770 50.120 12.200 1.00 0.00 H +ATOM 7814 OW SOL 2081 48.430 45.410 15.810 1.00 0.00 O +ATOM 7815 HW1 SOL 2081 48.530 44.510 16.120 1.00 0.00 H +ATOM 7816 HW2 SOL 2081 49.210 45.860 16.140 1.00 0.00 H +ATOM 7817 OW SOL 2082 62.890 16.960 7.250 1.00 0.00 O +ATOM 7818 HW1 SOL 2082 62.080 17.440 7.110 1.00 0.00 H +ATOM 7819 HW2 SOL 2082 62.650 16.040 7.160 1.00 0.00 H +ATOM 7820 OW SOL 2083 22.220 6.180 30.820 1.00 0.00 O +ATOM 7821 HW1 SOL 2083 21.700 6.950 30.620 1.00 0.00 H +ATOM 7822 HW2 SOL 2083 23.080 6.350 30.430 1.00 0.00 H +ATOM 7823 OW SOL 2084 36.910 20.800 37.620 1.00 0.00 O +ATOM 7824 HW1 SOL 2084 36.400 20.000 37.730 1.00 0.00 H +ATOM 7825 HW2 SOL 2084 36.430 21.310 36.970 1.00 0.00 H +ATOM 7826 OW SOL 2085 15.200 52.420 10.930 1.00 0.00 O +ATOM 7827 HW1 SOL 2085 14.940 51.540 10.640 1.00 0.00 H +ATOM 7828 HW2 SOL 2085 14.400 52.940 10.860 1.00 0.00 H +ATOM 7829 OW SOL 2086 61.750 3.760 38.400 1.00 0.00 O +ATOM 7830 HW1 SOL 2086 61.930 3.760 39.340 1.00 0.00 H +ATOM 7831 HW2 SOL 2086 62.190 2.980 38.080 1.00 0.00 H +ATOM 7832 OW SOL 2087 4.130 35.540 40.310 1.00 0.00 O +ATOM 7833 HW1 SOL 2087 3.660 35.420 39.480 1.00 0.00 H +ATOM 7834 HW2 SOL 2087 4.910 34.980 40.220 1.00 0.00 H +ATOM 7835 OW SOL 2088 27.510 35.150 6.790 1.00 0.00 O +ATOM 7836 HW1 SOL 2088 27.430 35.960 6.280 1.00 0.00 H +ATOM 7837 HW2 SOL 2088 27.310 34.450 6.160 1.00 0.00 H +ATOM 7838 OW SOL 2089 10.690 21.680 8.760 1.00 0.00 O +ATOM 7839 HW1 SOL 2089 11.250 22.390 9.090 1.00 0.00 H +ATOM 7840 HW2 SOL 2089 9.990 21.610 9.410 1.00 0.00 H +ATOM 7841 OW SOL 2090 20.820 28.590 6.520 1.00 0.00 O +ATOM 7842 HW1 SOL 2090 20.970 29.420 6.980 1.00 0.00 H +ATOM 7843 HW2 SOL 2090 21.700 28.260 6.340 1.00 0.00 H +ATOM 7844 OW SOL 2091 63.140 1.250 4.300 1.00 0.00 O +ATOM 7845 HW1 SOL 2091 62.850 1.390 3.400 1.00 0.00 H +ATOM 7846 HW2 SOL 2091 64.070 1.480 4.300 1.00 0.00 H +ATOM 7847 OW SOL 2092 27.930 9.300 8.230 1.00 0.00 O +ATOM 7848 HW1 SOL 2092 28.330 9.980 7.680 1.00 0.00 H +ATOM 7849 HW2 SOL 2092 27.490 9.780 8.930 1.00 0.00 H +ATOM 7850 OW SOL 2093 61.960 58.030 38.320 1.00 0.00 O +ATOM 7851 HW1 SOL 2093 61.890 57.740 37.410 1.00 0.00 H +ATOM 7852 HW2 SOL 2093 62.330 57.280 38.780 1.00 0.00 H +ATOM 7853 OW SOL 2094 12.380 2.330 28.070 1.00 0.00 O +ATOM 7854 HW1 SOL 2094 11.480 2.040 28.270 1.00 0.00 H +ATOM 7855 HW2 SOL 2094 12.850 1.520 27.890 1.00 0.00 H +ATOM 7856 OW SOL 2095 28.630 13.280 3.960 1.00 0.00 O +ATOM 7857 HW1 SOL 2095 28.830 14.050 4.490 1.00 0.00 H +ATOM 7858 HW2 SOL 2095 27.740 13.030 4.220 1.00 0.00 H +ATOM 7859 OW SOL 2096 27.870 35.390 46.870 1.00 0.00 O +ATOM 7860 HW1 SOL 2096 27.650 34.500 46.590 1.00 0.00 H +ATOM 7861 HW2 SOL 2096 27.580 35.430 47.790 1.00 0.00 H +ATOM 7862 OW SOL 2097 40.000 46.130 47.220 1.00 0.00 O +ATOM 7863 HW1 SOL 2097 40.900 45.960 47.500 1.00 0.00 H +ATOM 7864 HW2 SOL 2097 39.840 47.030 47.480 1.00 0.00 H +ATOM 7865 OW SOL 2098 13.770 49.780 2.410 1.00 0.00 O +ATOM 7866 HW1 SOL 2098 13.220 50.450 2.790 1.00 0.00 H +ATOM 7867 HW2 SOL 2098 14.340 49.480 3.120 1.00 0.00 H +ATOM 7868 OW SOL 2099 6.780 53.010 20.850 1.00 0.00 O +ATOM 7869 HW1 SOL 2099 7.320 53.080 21.640 1.00 0.00 H +ATOM 7870 HW2 SOL 2099 6.330 52.170 20.950 1.00 0.00 H +ATOM 7871 OW SOL 2100 39.120 44.770 4.800 1.00 0.00 O +ATOM 7872 HW1 SOL 2100 39.560 44.140 5.360 1.00 0.00 H +ATOM 7873 HW2 SOL 2100 39.100 44.350 3.940 1.00 0.00 H +ATOM 7874 OW SOL 2101 14.220 51.960 6.210 1.00 0.00 O +ATOM 7875 HW1 SOL 2101 14.520 51.340 5.540 1.00 0.00 H +ATOM 7876 HW2 SOL 2101 13.260 51.910 6.160 1.00 0.00 H +ATOM 7877 OW SOL 2102 22.080 26.650 12.010 1.00 0.00 O +ATOM 7878 HW1 SOL 2102 22.270 26.500 11.080 1.00 0.00 H +ATOM 7879 HW2 SOL 2102 21.130 26.600 12.070 1.00 0.00 H +ATOM 7880 OW SOL 2103 40.700 34.260 7.770 1.00 0.00 O +ATOM 7881 HW1 SOL 2103 41.280 34.660 7.120 1.00 0.00 H +ATOM 7882 HW2 SOL 2103 39.850 34.690 7.640 1.00 0.00 H +ATOM 7883 OW SOL 2104 4.290 21.530 34.680 1.00 0.00 O +ATOM 7884 HW1 SOL 2104 4.990 21.630 34.040 1.00 0.00 H +ATOM 7885 HW2 SOL 2104 4.350 20.620 34.960 1.00 0.00 H +ATOM 7886 OW SOL 2105 4.000 18.850 53.390 1.00 0.00 O +ATOM 7887 HW1 SOL 2105 3.520 19.020 52.580 1.00 0.00 H +ATOM 7888 HW2 SOL 2105 3.380 19.080 54.080 1.00 0.00 H +ATOM 7889 OW SOL 2106 45.140 19.720 33.230 1.00 0.00 O +ATOM 7890 HW1 SOL 2106 46.060 19.940 33.360 1.00 0.00 H +ATOM 7891 HW2 SOL 2106 45.130 19.260 32.390 1.00 0.00 H +ATOM 7892 OW SOL 2107 50.200 7.000 8.780 1.00 0.00 O +ATOM 7893 HW1 SOL 2107 50.380 6.230 9.340 1.00 0.00 H +ATOM 7894 HW2 SOL 2107 49.340 6.810 8.400 1.00 0.00 H +ATOM 7895 OW SOL 2108 37.640 26.590 44.150 1.00 0.00 O +ATOM 7896 HW1 SOL 2108 38.420 26.670 43.600 1.00 0.00 H +ATOM 7897 HW2 SOL 2108 37.810 27.150 44.900 1.00 0.00 H +ATOM 7898 OW SOL 2109 25.300 8.980 23.460 1.00 0.00 O +ATOM 7899 HW1 SOL 2109 25.080 9.170 24.370 1.00 0.00 H +ATOM 7900 HW2 SOL 2109 25.770 8.150 23.490 1.00 0.00 H +ATOM 7901 OW SOL 2110 60.110 2.750 29.520 1.00 0.00 O +ATOM 7902 HW1 SOL 2110 59.440 2.740 28.830 1.00 0.00 H +ATOM 7903 HW2 SOL 2110 60.700 3.460 29.270 1.00 0.00 H +ATOM 7904 OW SOL 2111 64.550 15.040 2.310 1.00 0.00 O +ATOM 7905 HW1 SOL 2111 64.390 15.520 1.500 1.00 0.00 H +ATOM 7906 HW2 SOL 2111 63.860 15.340 2.900 1.00 0.00 H +ATOM 7907 OW SOL 2112 48.540 17.270 15.010 1.00 0.00 O +ATOM 7908 HW1 SOL 2112 48.620 16.560 15.640 1.00 0.00 H +ATOM 7909 HW2 SOL 2112 48.080 17.960 15.480 1.00 0.00 H +ATOM 7910 OW SOL 2113 60.780 10.330 22.760 1.00 0.00 O +ATOM 7911 HW1 SOL 2113 60.170 11.070 22.860 1.00 0.00 H +ATOM 7912 HW2 SOL 2113 61.570 10.610 23.230 1.00 0.00 H +ATOM 7913 OW SOL 2114 7.250 51.890 15.960 1.00 0.00 O +ATOM 7914 HW1 SOL 2114 7.600 51.700 16.830 1.00 0.00 H +ATOM 7915 HW2 SOL 2114 7.850 52.550 15.600 1.00 0.00 H +ATOM 7916 OW SOL 2115 34.620 29.970 42.100 1.00 0.00 O +ATOM 7917 HW1 SOL 2115 34.800 29.040 42.010 1.00 0.00 H +ATOM 7918 HW2 SOL 2115 35.470 30.390 41.920 1.00 0.00 H +ATOM 7919 OW SOL 2116 27.480 58.180 48.860 1.00 0.00 O +ATOM 7920 HW1 SOL 2116 26.760 57.940 49.450 1.00 0.00 H +ATOM 7921 HW2 SOL 2116 27.090 58.190 47.990 1.00 0.00 H +ATOM 7922 OW SOL 2117 9.020 53.130 37.280 1.00 0.00 O +ATOM 7923 HW1 SOL 2117 8.920 53.630 36.470 1.00 0.00 H +ATOM 7924 HW2 SOL 2117 9.950 53.230 37.510 1.00 0.00 H +ATOM 7925 OW SOL 2118 32.580 0.020 1.290 1.00 0.00 O +ATOM 7926 HW1 SOL 2118 33.450 -0.070 1.670 1.00 0.00 H +ATOM 7927 HW2 SOL 2118 32.730 0.160 0.350 1.00 0.00 H +ATOM 7928 OW SOL 2119 22.820 4.360 45.630 1.00 0.00 O +ATOM 7929 HW1 SOL 2119 22.450 4.410 46.520 1.00 0.00 H +ATOM 7930 HW2 SOL 2119 23.770 4.400 45.770 1.00 0.00 H +ATOM 7931 OW SOL 2120 23.030 59.980 7.030 1.00 0.00 O +ATOM 7932 HW1 SOL 2120 23.360 60.770 6.600 1.00 0.00 H +ATOM 7933 HW2 SOL 2120 22.780 60.270 7.910 1.00 0.00 H +ATOM 7934 OW SOL 2121 0.260 41.240 44.020 1.00 0.00 O +ATOM 7935 HW1 SOL 2121 0.630 40.370 43.890 1.00 0.00 H +ATOM 7936 HW2 SOL 2121 0.160 41.310 44.970 1.00 0.00 H +ATOM 7937 OW SOL 2122 49.080 56.040 45.900 1.00 0.00 O +ATOM 7938 HW1 SOL 2122 48.980 56.160 44.960 1.00 0.00 H +ATOM 7939 HW2 SOL 2122 49.780 56.650 46.140 1.00 0.00 H +ATOM 7940 OW SOL 2123 14.340 48.420 52.600 1.00 0.00 O +ATOM 7941 HW1 SOL 2123 15.230 48.770 52.580 1.00 0.00 H +ATOM 7942 HW2 SOL 2123 13.850 49.030 53.150 1.00 0.00 H +ATOM 7943 OW SOL 2124 42.840 21.720 11.010 1.00 0.00 O +ATOM 7944 HW1 SOL 2124 42.250 21.030 10.720 1.00 0.00 H +ATOM 7945 HW2 SOL 2124 42.260 22.430 11.290 1.00 0.00 H +ATOM 7946 OW SOL 2125 52.590 8.310 51.960 1.00 0.00 O +ATOM 7947 HW1 SOL 2125 53.130 8.970 51.520 1.00 0.00 H +ATOM 7948 HW2 SOL 2125 52.190 8.780 52.700 1.00 0.00 H +ATOM 7949 OW SOL 2126 5.000 11.850 24.340 1.00 0.00 O +ATOM 7950 HW1 SOL 2126 5.540 12.640 24.390 1.00 0.00 H +ATOM 7951 HW2 SOL 2126 4.220 12.060 24.860 1.00 0.00 H +ATOM 7952 OW SOL 2127 57.960 51.790 23.710 1.00 0.00 O +ATOM 7953 HW1 SOL 2127 58.390 52.560 23.330 1.00 0.00 H +ATOM 7954 HW2 SOL 2127 57.050 52.040 23.800 1.00 0.00 H +ATOM 7955 OW SOL 2128 17.150 52.910 24.500 1.00 0.00 O +ATOM 7956 HW1 SOL 2128 17.290 52.970 23.550 1.00 0.00 H +ATOM 7957 HW2 SOL 2128 16.200 52.820 24.590 1.00 0.00 H +ATOM 7958 OW SOL 2129 54.940 39.380 3.080 1.00 0.00 O +ATOM 7959 HW1 SOL 2129 55.730 39.660 3.550 1.00 0.00 H +ATOM 7960 HW2 SOL 2129 55.230 39.250 2.180 1.00 0.00 H +ATOM 7961 OW SOL 2130 61.740 11.390 15.700 1.00 0.00 O +ATOM 7962 HW1 SOL 2130 61.540 11.000 16.550 1.00 0.00 H +ATOM 7963 HW2 SOL 2130 62.250 10.720 15.250 1.00 0.00 H +ATOM 7964 OW SOL 2131 40.580 22.010 47.220 1.00 0.00 O +ATOM 7965 HW1 SOL 2131 39.770 22.460 47.020 1.00 0.00 H +ATOM 7966 HW2 SOL 2131 40.490 21.150 46.810 1.00 0.00 H +ATOM 7967 OW SOL 2132 43.570 25.610 40.440 1.00 0.00 O +ATOM 7968 HW1 SOL 2132 42.700 25.210 40.420 1.00 0.00 H +ATOM 7969 HW2 SOL 2132 43.940 25.400 39.580 1.00 0.00 H +ATOM 7970 OW SOL 2133 59.860 22.070 18.340 1.00 0.00 O +ATOM 7971 HW1 SOL 2133 60.030 22.750 17.690 1.00 0.00 H +ATOM 7972 HW2 SOL 2133 60.600 21.470 18.260 1.00 0.00 H +ATOM 7973 OW SOL 2134 59.430 0.920 43.710 1.00 0.00 O +ATOM 7974 HW1 SOL 2134 59.470 -0.030 43.620 1.00 0.00 H +ATOM 7975 HW2 SOL 2134 59.750 1.250 42.870 1.00 0.00 H +ATOM 7976 OW SOL 2135 10.650 61.610 44.880 1.00 0.00 O +ATOM 7977 HW1 SOL 2135 11.030 61.490 45.750 1.00 0.00 H +ATOM 7978 HW2 SOL 2135 10.980 60.870 44.370 1.00 0.00 H +ATOM 7979 OW SOL 2136 26.740 13.570 0.700 1.00 0.00 O +ATOM 7980 HW1 SOL 2136 26.820 14.390 0.210 1.00 0.00 H +ATOM 7981 HW2 SOL 2136 25.960 13.690 1.230 1.00 0.00 H +ATOM 7982 OW SOL 2137 30.200 19.830 6.630 1.00 0.00 O +ATOM 7983 HW1 SOL 2137 30.160 18.880 6.500 1.00 0.00 H +ATOM 7984 HW2 SOL 2137 29.320 20.140 6.430 1.00 0.00 H +ATOM 7985 OW SOL 2138 39.590 54.130 34.530 1.00 0.00 O +ATOM 7986 HW1 SOL 2138 40.340 54.360 33.980 1.00 0.00 H +ATOM 7987 HW2 SOL 2138 39.870 53.360 35.020 1.00 0.00 H +ATOM 7988 OW SOL 2139 17.800 40.520 35.600 1.00 0.00 O +ATOM 7989 HW1 SOL 2139 17.090 40.170 36.150 1.00 0.00 H +ATOM 7990 HW2 SOL 2139 17.790 39.980 34.810 1.00 0.00 H +ATOM 7991 OW SOL 2140 18.200 48.700 31.390 1.00 0.00 O +ATOM 7992 HW1 SOL 2140 18.280 49.390 30.730 1.00 0.00 H +ATOM 7993 HW2 SOL 2140 17.260 48.540 31.470 1.00 0.00 H +ATOM 7994 OW SOL 2141 41.090 19.030 50.390 1.00 0.00 O +ATOM 7995 HW1 SOL 2141 41.530 18.220 50.660 1.00 0.00 H +ATOM 7996 HW2 SOL 2141 41.790 19.570 50.020 1.00 0.00 H +ATOM 7997 OW SOL 2142 56.270 53.480 49.940 1.00 0.00 O +ATOM 7998 HW1 SOL 2142 56.400 53.790 49.050 1.00 0.00 H +ATOM 7999 HW2 SOL 2142 56.070 54.280 50.440 1.00 0.00 H +ATOM 8000 OW SOL 2143 29.996 40.233 53.205 1.00 0.00 O +ATOM 8001 HW1 SOL 2143 30.496 40.873 53.725 1.00 0.00 H +ATOM 8002 HW2 SOL 2143 29.666 39.613 53.855 1.00 0.00 H +ATOM 8003 OW SOL 2144 51.180 17.770 44.720 1.00 0.00 O +ATOM 8004 HW1 SOL 2144 50.700 18.080 45.490 1.00 0.00 H +ATOM 8005 HW2 SOL 2144 52.100 17.870 44.940 1.00 0.00 H +ATOM 8006 OW SOL 2145 50.530 3.610 26.820 1.00 0.00 O +ATOM 8007 HW1 SOL 2145 50.180 2.800 27.200 1.00 0.00 H +ATOM 8008 HW2 SOL 2145 51.380 3.720 27.240 1.00 0.00 H +ATOM 8009 OW SOL 2146 5.970 27.860 50.680 1.00 0.00 O +ATOM 8010 HW1 SOL 2146 5.840 27.890 49.730 1.00 0.00 H +ATOM 8011 HW2 SOL 2146 6.040 26.930 50.890 1.00 0.00 H +ATOM 8012 OW SOL 2147 21.460 51.490 44.490 1.00 0.00 O +ATOM 8013 HW1 SOL 2147 22.400 51.520 44.290 1.00 0.00 H +ATOM 8014 HW2 SOL 2147 21.310 52.250 45.050 1.00 0.00 H +ATOM 8015 OW SOL 2148 63.660 41.890 23.120 1.00 0.00 O +ATOM 8016 HW1 SOL 2148 64.350 42.500 22.840 1.00 0.00 H +ATOM 8017 HW2 SOL 2148 62.850 42.290 22.830 1.00 0.00 H +ATOM 8018 OW SOL 2149 16.620 2.920 35.970 1.00 0.00 O +ATOM 8019 HW1 SOL 2149 17.040 3.500 36.600 1.00 0.00 H +ATOM 8020 HW2 SOL 2149 17.060 2.080 36.080 1.00 0.00 H +ATOM 8021 OW SOL 2150 15.780 36.140 41.040 1.00 0.00 O +ATOM 8022 HW1 SOL 2150 15.560 36.080 40.110 1.00 0.00 H +ATOM 8023 HW2 SOL 2150 16.230 35.320 41.240 1.00 0.00 H +ATOM 8024 OW SOL 2151 52.890 24.510 36.290 1.00 0.00 O +ATOM 8025 HW1 SOL 2151 53.590 25.160 36.400 1.00 0.00 H +ATOM 8026 HW2 SOL 2151 53.350 23.680 36.150 1.00 0.00 H +ATOM 8027 OW SOL 2152 8.380 16.630 20.610 1.00 0.00 O +ATOM 8028 HW1 SOL 2152 7.550 16.340 20.980 1.00 0.00 H +ATOM 8029 HW2 SOL 2152 8.140 17.120 19.820 1.00 0.00 H +ATOM 8030 OW SOL 2153 5.690 38.990 41.780 1.00 0.00 O +ATOM 8031 HW1 SOL 2153 5.200 39.810 41.830 1.00 0.00 H +ATOM 8032 HW2 SOL 2153 5.040 38.310 41.910 1.00 0.00 H +ATOM 8033 OW SOL 2154 43.230 8.660 32.670 1.00 0.00 O +ATOM 8034 HW1 SOL 2154 42.730 9.260 32.120 1.00 0.00 H +ATOM 8035 HW2 SOL 2154 42.700 8.550 33.460 1.00 0.00 H +ATOM 8036 OW SOL 2155 62.750 10.850 31.400 1.00 0.00 O +ATOM 8037 HW1 SOL 2155 62.420 11.570 30.860 1.00 0.00 H +ATOM 8038 HW2 SOL 2155 63.680 11.040 31.500 1.00 0.00 H +ATOM 8039 OW SOL 2156 45.850 23.860 43.990 1.00 0.00 O +ATOM 8040 HW1 SOL 2156 45.700 24.390 43.200 1.00 0.00 H +ATOM 8041 HW2 SOL 2156 46.670 23.400 43.820 1.00 0.00 H +ATOM 8042 OW SOL 2157 3.050 38.060 28.290 1.00 0.00 O +ATOM 8043 HW1 SOL 2157 3.080 39.010 28.190 1.00 0.00 H +ATOM 8044 HW2 SOL 2157 3.960 37.810 28.440 1.00 0.00 H +ATOM 8045 OW SOL 2158 56.240 24.280 3.820 1.00 0.00 O +ATOM 8046 HW1 SOL 2158 56.660 25.070 3.460 1.00 0.00 H +ATOM 8047 HW2 SOL 2158 56.960 23.660 3.920 1.00 0.00 H +ATOM 8048 OW SOL 2159 22.630 3.630 48.480 1.00 0.00 O +ATOM 8049 HW1 SOL 2159 21.760 3.570 48.880 1.00 0.00 H +ATOM 8050 HW2 SOL 2159 23.100 2.870 48.830 1.00 0.00 H +ATOM 8051 OW SOL 2160 28.880 25.610 35.380 1.00 0.00 O +ATOM 8052 HW1 SOL 2160 29.620 25.110 35.030 1.00 0.00 H +ATOM 8053 HW2 SOL 2160 29.200 26.510 35.430 1.00 0.00 H +ATOM 8054 OW SOL 2161 14.250 54.110 44.040 1.00 0.00 O +ATOM 8055 HW1 SOL 2161 13.830 54.590 43.330 1.00 0.00 H +ATOM 8056 HW2 SOL 2161 13.950 53.210 43.930 1.00 0.00 H +ATOM 8057 OW SOL 2162 61.400 22.410 3.240 1.00 0.00 O +ATOM 8058 HW1 SOL 2162 61.870 23.250 3.170 1.00 0.00 H +ATOM 8059 HW2 SOL 2162 61.760 22.000 4.030 1.00 0.00 H +ATOM 8060 OW SOL 2163 53.820 51.370 0.600 1.00 0.00 O +ATOM 8061 HW1 SOL 2163 53.070 51.810 0.990 1.00 0.00 H +ATOM 8062 HW2 SOL 2163 54.580 51.790 1.000 1.00 0.00 H +ATOM 8063 OW SOL 2164 0.640 55.590 24.280 1.00 0.00 O +ATOM 8064 HW1 SOL 2164 0.520 55.810 25.200 1.00 0.00 H +ATOM 8065 HW2 SOL 2164 1.570 55.390 24.200 1.00 0.00 H +ATOM 8066 OW SOL 2165 33.280 28.920 24.440 1.00 0.00 O +ATOM 8067 HW1 SOL 2165 32.740 28.490 23.770 1.00 0.00 H +ATOM 8068 HW2 SOL 2165 32.790 28.790 25.250 1.00 0.00 H +ATOM 8069 OW SOL 2166 20.220 57.990 52.340 1.00 0.00 O +ATOM 8070 HW1 SOL 2166 19.550 58.440 52.840 1.00 0.00 H +ATOM 8071 HW2 SOL 2166 20.520 57.290 52.920 1.00 0.00 H +ATOM 8072 OW SOL 2167 50.940 31.840 12.830 1.00 0.00 O +ATOM 8073 HW1 SOL 2167 50.170 31.510 12.370 1.00 0.00 H +ATOM 8074 HW2 SOL 2167 51.680 31.590 12.270 1.00 0.00 H +ATOM 8075 OW SOL 2168 35.486 0.178 18.160 1.00 0.00 O +ATOM 8076 HW1 SOL 2168 35.056 -0.612 18.490 1.00 0.00 H +ATOM 8077 HW2 SOL 2168 36.106 -0.152 17.510 1.00 0.00 H +ATOM 8078 OW SOL 2169 47.470 10.950 36.070 1.00 0.00 O +ATOM 8079 HW1 SOL 2169 47.360 10.140 35.580 1.00 0.00 H +ATOM 8080 HW2 SOL 2169 46.780 10.930 36.740 1.00 0.00 H +ATOM 8081 OW SOL 2170 17.280 56.020 4.410 1.00 0.00 O +ATOM 8082 HW1 SOL 2170 17.460 55.560 5.230 1.00 0.00 H +ATOM 8083 HW2 SOL 2170 17.780 55.550 3.750 1.00 0.00 H +ATOM 8084 OW SOL 2171 29.720 32.830 12.900 1.00 0.00 O +ATOM 8085 HW1 SOL 2171 30.070 32.760 13.780 1.00 0.00 H +ATOM 8086 HW2 SOL 2171 30.500 32.910 12.340 1.00 0.00 H +ATOM 8087 OW SOL 2172 47.090 11.870 26.750 1.00 0.00 O +ATOM 8088 HW1 SOL 2172 46.660 12.700 26.540 1.00 0.00 H +ATOM 8089 HW2 SOL 2172 47.560 11.640 25.950 1.00 0.00 H +ATOM 8090 OW SOL 2173 1.430 61.500 14.450 1.00 0.00 O +ATOM 8091 HW1 SOL 2173 1.450 62.220 15.090 1.00 0.00 H +ATOM 8092 HW2 SOL 2173 1.510 60.710 14.980 1.00 0.00 H +ATOM 8093 OW SOL 2174 12.330 27.420 45.270 1.00 0.00 O +ATOM 8094 HW1 SOL 2174 11.880 26.950 44.570 1.00 0.00 H +ATOM 8095 HW2 SOL 2174 12.170 26.900 46.060 1.00 0.00 H +ATOM 8096 OW SOL 2175 0.420 27.170 52.150 1.00 0.00 O +ATOM 8097 HW1 SOL 2175 0.550 26.340 51.710 1.00 0.00 H +ATOM 8098 HW2 SOL 2175 1.120 27.210 52.810 1.00 0.00 H +ATOM 8099 OW SOL 2176 24.910 32.930 51.740 1.00 0.00 O +ATOM 8100 HW1 SOL 2176 25.250 33.090 50.860 1.00 0.00 H +ATOM 8101 HW2 SOL 2176 25.600 33.230 52.320 1.00 0.00 H +ATOM 8102 OW SOL 2177 54.180 50.560 27.120 1.00 0.00 O +ATOM 8103 HW1 SOL 2177 54.110 51.030 26.290 1.00 0.00 H +ATOM 8104 HW2 SOL 2177 53.360 50.760 27.570 1.00 0.00 H +ATOM 8105 OW SOL 2178 60.550 35.740 11.970 1.00 0.00 O +ATOM 8106 HW1 SOL 2178 60.800 35.370 11.120 1.00 0.00 H +ATOM 8107 HW2 SOL 2178 60.420 36.670 11.790 1.00 0.00 H +ATOM 8108 OW SOL 2179 63.790 6.250 44.990 1.00 0.00 O +ATOM 8109 HW1 SOL 2179 63.250 6.990 45.260 1.00 0.00 H +ATOM 8110 HW2 SOL 2179 64.100 6.480 44.120 1.00 0.00 H +ATOM 8111 OW SOL 2180 56.650 6.160 44.230 1.00 0.00 O +ATOM 8112 HW1 SOL 2180 57.600 6.270 44.210 1.00 0.00 H +ATOM 8113 HW2 SOL 2180 56.400 6.100 43.310 1.00 0.00 H +ATOM 8114 OW SOL 2181 47.280 0.620 36.260 1.00 0.00 O +ATOM 8115 HW1 SOL 2181 48.020 0.040 36.370 1.00 0.00 H +ATOM 8116 HW2 SOL 2181 46.580 0.070 35.910 1.00 0.00 H +ATOM 8117 OW SOL 2182 3.840 31.140 7.580 1.00 0.00 O +ATOM 8118 HW1 SOL 2182 3.870 30.520 6.850 1.00 0.00 H +ATOM 8119 HW2 SOL 2182 4.630 31.670 7.460 1.00 0.00 H +ATOM 8120 OW SOL 2183 47.500 23.100 35.580 1.00 0.00 O +ATOM 8121 HW1 SOL 2183 47.020 23.320 34.780 1.00 0.00 H +ATOM 8122 HW2 SOL 2183 48.380 22.860 35.270 1.00 0.00 H +ATOM 8123 OW SOL 2184 44.230 10.340 23.570 1.00 0.00 O +ATOM 8124 HW1 SOL 2184 44.630 9.690 24.150 1.00 0.00 H +ATOM 8125 HW2 SOL 2184 43.850 9.820 22.860 1.00 0.00 H +ATOM 8126 OW SOL 2185 7.600 48.180 5.940 1.00 0.00 O +ATOM 8127 HW1 SOL 2185 7.170 48.930 6.330 1.00 0.00 H +ATOM 8128 HW2 SOL 2185 8.530 48.290 6.140 1.00 0.00 H +ATOM 8129 OW SOL 2186 65.550 44.470 32.760 1.00 0.00 O +ATOM 8130 HW1 SOL 2186 65.970 45.320 32.910 1.00 0.00 H +ATOM 8131 HW2 SOL 2186 64.610 44.680 32.690 1.00 0.00 H +ATOM 8132 OW SOL 2187 8.970 44.120 39.480 1.00 0.00 O +ATOM 8133 HW1 SOL 2187 9.080 43.170 39.600 1.00 0.00 H +ATOM 8134 HW2 SOL 2187 8.050 44.230 39.260 1.00 0.00 H +ATOM 8135 OW SOL 2188 10.790 32.020 27.910 1.00 0.00 O +ATOM 8136 HW1 SOL 2188 9.860 31.800 27.990 1.00 0.00 H +ATOM 8137 HW2 SOL 2188 10.940 32.670 28.590 1.00 0.00 H +ATOM 8138 OW SOL 2189 63.390 12.910 50.410 1.00 0.00 O +ATOM 8139 HW1 SOL 2189 63.360 12.920 49.460 1.00 0.00 H +ATOM 8140 HW2 SOL 2189 62.580 13.360 50.680 1.00 0.00 H +ATOM 8141 OW SOL 2190 0.540 7.820 51.450 1.00 0.00 O +ATOM 8142 HW1 SOL 2190 -0.360 7.620 51.210 1.00 0.00 H +ATOM 8143 HW2 SOL 2190 0.590 7.600 52.380 1.00 0.00 H +ATOM 8144 OW SOL 2191 43.550 43.890 41.840 1.00 0.00 O +ATOM 8145 HW1 SOL 2191 42.800 44.430 41.600 1.00 0.00 H +ATOM 8146 HW2 SOL 2191 44.260 44.180 41.270 1.00 0.00 H +ATOM 8147 OW SOL 2192 47.270 41.060 41.140 1.00 0.00 O +ATOM 8148 HW1 SOL 2192 47.000 41.260 42.030 1.00 0.00 H +ATOM 8149 HW2 SOL 2192 48.000 41.660 40.970 1.00 0.00 H +ATOM 8150 OW SOL 2193 52.400 42.790 24.070 1.00 0.00 O +ATOM 8151 HW1 SOL 2193 52.840 42.370 24.810 1.00 0.00 H +ATOM 8152 HW2 SOL 2193 51.820 42.110 23.720 1.00 0.00 H +ATOM 8153 OW SOL 2194 0.500 57.540 32.890 1.00 0.00 O +ATOM 8154 HW1 SOL 2194 0.980 57.250 33.670 1.00 0.00 H +ATOM 8155 HW2 SOL 2194 0.440 58.490 32.990 1.00 0.00 H +ATOM 8156 OW SOL 2195 62.700 4.570 18.000 1.00 0.00 O +ATOM 8157 HW1 SOL 2195 62.760 4.110 17.160 1.00 0.00 H +ATOM 8158 HW2 SOL 2195 63.440 4.240 18.500 1.00 0.00 H +ATOM 8159 OW SOL 2196 59.390 30.250 45.500 1.00 0.00 O +ATOM 8160 HW1 SOL 2196 59.160 30.560 46.370 1.00 0.00 H +ATOM 8161 HW2 SOL 2196 60.320 30.440 45.420 1.00 0.00 H +ATOM 8162 OW SOL 2197 14.560 14.880 34.960 1.00 0.00 O +ATOM 8163 HW1 SOL 2197 14.870 15.720 34.630 1.00 0.00 H +ATOM 8164 HW2 SOL 2197 14.470 15.010 35.900 1.00 0.00 H +ATOM 8165 OW SOL 2198 52.640 47.330 10.400 1.00 0.00 O +ATOM 8166 HW1 SOL 2198 53.030 47.940 11.030 1.00 0.00 H +ATOM 8167 HW2 SOL 2198 53.350 47.140 9.790 1.00 0.00 H +ATOM 8168 OW SOL 2199 22.830 27.660 1.590 1.00 0.00 O +ATOM 8169 HW1 SOL 2199 23.310 27.420 0.790 1.00 0.00 H +ATOM 8170 HW2 SOL 2199 22.360 28.460 1.350 1.00 0.00 H +ATOM 8171 OW SOL 2200 45.400 42.360 7.860 1.00 0.00 O +ATOM 8172 HW1 SOL 2200 45.270 43.280 7.630 1.00 0.00 H +ATOM 8173 HW2 SOL 2200 45.490 41.910 7.020 1.00 0.00 H +ATOM 8174 OW SOL 2201 14.040 6.060 44.880 1.00 0.00 O +ATOM 8175 HW1 SOL 2201 14.080 5.920 45.820 1.00 0.00 H +ATOM 8176 HW2 SOL 2201 13.730 5.230 44.520 1.00 0.00 H +ATOM 8177 OW SOL 2202 41.840 44.090 45.920 1.00 0.00 O +ATOM 8178 HW1 SOL 2202 41.160 44.660 46.280 1.00 0.00 H +ATOM 8179 HW2 SOL 2202 42.630 44.640 45.910 1.00 0.00 H +ATOM 8180 OW SOL 2203 60.110 49.540 15.500 1.00 0.00 O +ATOM 8181 HW1 SOL 2203 59.630 50.350 15.680 1.00 0.00 H +ATOM 8182 HW2 SOL 2203 59.430 48.860 15.450 1.00 0.00 H +ATOM 8183 OW SOL 2204 53.970 10.680 6.800 1.00 0.00 O +ATOM 8184 HW1 SOL 2204 53.340 11.220 6.330 1.00 0.00 H +ATOM 8185 HW2 SOL 2204 54.060 11.090 7.660 1.00 0.00 H +ATOM 8186 OW SOL 2205 25.890 60.530 37.180 1.00 0.00 O +ATOM 8187 HW1 SOL 2205 25.870 59.620 37.490 1.00 0.00 H +ATOM 8188 HW2 SOL 2205 26.260 60.470 36.300 1.00 0.00 H +ATOM 8189 OW SOL 2206 16.730 23.900 36.380 1.00 0.00 O +ATOM 8190 HW1 SOL 2206 16.780 23.960 37.340 1.00 0.00 H +ATOM 8191 HW2 SOL 2206 17.080 23.030 36.180 1.00 0.00 H +ATOM 8192 OW SOL 2207 8.230 50.670 42.690 1.00 0.00 O +ATOM 8193 HW1 SOL 2207 7.540 50.340 42.120 1.00 0.00 H +ATOM 8194 HW2 SOL 2207 8.910 50.970 42.090 1.00 0.00 H +ATOM 8195 OW SOL 2208 13.290 8.530 14.150 1.00 0.00 O +ATOM 8196 HW1 SOL 2208 13.100 8.610 13.220 1.00 0.00 H +ATOM 8197 HW2 SOL 2208 14.160 8.140 14.190 1.00 0.00 H +ATOM 8198 OW SOL 2209 14.260 16.190 5.210 1.00 0.00 O +ATOM 8199 HW1 SOL 2209 13.730 16.530 5.930 1.00 0.00 H +ATOM 8200 HW2 SOL 2209 15.150 16.180 5.560 1.00 0.00 H +ATOM 8201 OW SOL 2210 23.020 55.710 47.010 1.00 0.00 O +ATOM 8202 HW1 SOL 2210 23.410 56.330 46.390 1.00 0.00 H +ATOM 8203 HW2 SOL 2210 23.750 55.420 47.560 1.00 0.00 H +ATOM 8204 OW SOL 2211 59.070 43.520 0.040 1.00 0.00 O +ATOM 8205 HW1 SOL 2211 59.730 43.000 0.490 1.00 0.00 H +ATOM 8206 HW2 SOL 2211 58.480 43.820 0.730 1.00 0.00 H +ATOM 8207 OW SOL 2212 40.990 6.570 40.410 1.00 0.00 O +ATOM 8208 HW1 SOL 2212 40.570 6.920 41.190 1.00 0.00 H +ATOM 8209 HW2 SOL 2212 41.110 5.640 40.600 1.00 0.00 H +ATOM 8210 OW SOL 2213 64.620 51.350 43.170 1.00 0.00 O +ATOM 8211 HW1 SOL 2213 63.670 51.410 43.070 1.00 0.00 H +ATOM 8212 HW2 SOL 2213 64.760 50.540 43.660 1.00 0.00 H +ATOM 8213 OW SOL 2214 10.190 14.380 41.530 1.00 0.00 O +ATOM 8214 HW1 SOL 2214 10.690 14.780 40.820 1.00 0.00 H +ATOM 8215 HW2 SOL 2214 10.220 13.440 41.350 1.00 0.00 H +ATOM 8216 OW SOL 2215 17.200 27.200 48.950 1.00 0.00 O +ATOM 8217 HW1 SOL 2215 17.650 26.890 49.740 1.00 0.00 H +ATOM 8218 HW2 SOL 2215 17.900 27.400 48.330 1.00 0.00 H +ATOM 8219 OW SOL 2216 55.300 20.020 36.070 1.00 0.00 O +ATOM 8220 HW1 SOL 2216 54.590 19.610 36.570 1.00 0.00 H +ATOM 8221 HW2 SOL 2216 54.880 20.340 35.270 1.00 0.00 H +ATOM 8222 OW SOL 2217 35.290 1.190 22.170 1.00 0.00 O +ATOM 8223 HW1 SOL 2217 34.430 0.910 22.490 1.00 0.00 H +ATOM 8224 HW2 SOL 2217 35.100 1.900 21.550 1.00 0.00 H +ATOM 8225 OW SOL 2218 8.660 10.230 34.840 1.00 0.00 O +ATOM 8226 HW1 SOL 2218 9.610 10.120 34.800 1.00 0.00 H +ATOM 8227 HW2 SOL 2218 8.450 10.130 35.760 1.00 0.00 H +ATOM 8228 OW SOL 2219 0.620 19.980 27.750 1.00 0.00 O +ATOM 8229 HW1 SOL 2219 1.090 19.870 28.580 1.00 0.00 H +ATOM 8230 HW2 SOL 2219 0.390 19.090 27.490 1.00 0.00 H +ATOM 8231 OW SOL 2220 8.960 58.810 29.620 1.00 0.00 O +ATOM 8232 HW1 SOL 2220 8.440 59.240 28.940 1.00 0.00 H +ATOM 8233 HW2 SOL 2220 9.850 59.110 29.470 1.00 0.00 H +ATOM 8234 OW SOL 2221 41.650 0.650 29.880 1.00 0.00 O +ATOM 8235 HW1 SOL 2221 42.210 1.210 29.340 1.00 0.00 H +ATOM 8236 HW2 SOL 2221 41.020 1.250 30.270 1.00 0.00 H +ATOM 8237 OW SOL 2222 8.100 20.370 34.230 1.00 0.00 O +ATOM 8238 HW1 SOL 2222 7.550 20.580 34.980 1.00 0.00 H +ATOM 8239 HW2 SOL 2222 7.650 20.760 33.480 1.00 0.00 H +ATOM 8240 OW SOL 2223 6.110 42.110 52.000 1.00 0.00 O +ATOM 8241 HW1 SOL 2223 6.360 41.830 52.880 1.00 0.00 H +ATOM 8242 HW2 SOL 2223 6.520 42.970 51.900 1.00 0.00 H +ATOM 8243 OW SOL 2224 2.350 8.790 49.530 1.00 0.00 O +ATOM 8244 HW1 SOL 2224 1.530 8.450 49.880 1.00 0.00 H +ATOM 8245 HW2 SOL 2224 2.570 9.520 50.100 1.00 0.00 H +ATOM 8246 OW SOL 2225 21.820 33.510 21.840 1.00 0.00 O +ATOM 8247 HW1 SOL 2225 20.920 33.670 21.560 1.00 0.00 H +ATOM 8248 HW2 SOL 2225 22.210 33.010 21.130 1.00 0.00 H +ATOM 8249 OW SOL 2226 3.540 49.450 10.520 1.00 0.00 O +ATOM 8250 HW1 SOL 2226 3.610 48.500 10.620 1.00 0.00 H +ATOM 8251 HW2 SOL 2226 3.830 49.810 11.350 1.00 0.00 H +ATOM 8252 OW SOL 2227 5.300 52.830 29.370 1.00 0.00 O +ATOM 8253 HW1 SOL 2227 5.080 52.110 28.770 1.00 0.00 H +ATOM 8254 HW2 SOL 2227 5.290 52.420 30.240 1.00 0.00 H +ATOM 8255 OW SOL 2228 6.310 49.680 40.910 1.00 0.00 O +ATOM 8256 HW1 SOL 2228 6.000 48.800 40.690 1.00 0.00 H +ATOM 8257 HW2 SOL 2228 6.760 49.980 40.120 1.00 0.00 H +ATOM 8258 OW SOL 2229 55.580 4.850 19.530 1.00 0.00 O +ATOM 8259 HW1 SOL 2229 56.480 4.760 19.820 1.00 0.00 H +ATOM 8260 HW2 SOL 2229 55.340 5.740 19.780 1.00 0.00 H +ATOM 8261 OW SOL 2230 19.080 6.620 41.350 1.00 0.00 O +ATOM 8262 HW1 SOL 2230 19.610 7.250 41.850 1.00 0.00 H +ATOM 8263 HW2 SOL 2230 18.690 7.140 40.650 1.00 0.00 H +ATOM 8264 OW SOL 2231 62.330 3.930 48.120 1.00 0.00 O +ATOM 8265 HW1 SOL 2231 63.220 3.570 48.100 1.00 0.00 H +ATOM 8266 HW2 SOL 2231 62.030 3.860 47.220 1.00 0.00 H +ATOM 8267 OW SOL 2232 36.020 23.330 5.840 1.00 0.00 O +ATOM 8268 HW1 SOL 2232 36.160 22.660 6.500 1.00 0.00 H +ATOM 8269 HW2 SOL 2232 36.470 24.110 6.190 1.00 0.00 H +ATOM 8270 OW SOL 2233 4.720 24.970 31.630 1.00 0.00 O +ATOM 8271 HW1 SOL 2233 5.650 24.800 31.550 1.00 0.00 H +ATOM 8272 HW2 SOL 2233 4.330 24.580 30.850 1.00 0.00 H +ATOM 8273 OW SOL 2234 27.390 28.860 24.260 1.00 0.00 O +ATOM 8274 HW1 SOL 2234 27.990 28.710 23.530 1.00 0.00 H +ATOM 8275 HW2 SOL 2234 26.900 29.640 24.020 1.00 0.00 H +ATOM 8276 OW SOL 2235 2.470 47.190 50.830 1.00 0.00 O +ATOM 8277 HW1 SOL 2235 2.670 48.070 50.510 1.00 0.00 H +ATOM 8278 HW2 SOL 2235 2.990 46.610 50.270 1.00 0.00 H +ATOM 8279 OW SOL 2236 21.800 51.770 48.310 1.00 0.00 O +ATOM 8280 HW1 SOL 2236 22.270 52.540 48.000 1.00 0.00 H +ATOM 8281 HW2 SOL 2236 22.450 51.270 48.810 1.00 0.00 H +ATOM 8282 OW SOL 2237 25.900 20.590 17.630 1.00 0.00 O +ATOM 8283 HW1 SOL 2237 25.510 20.750 18.480 1.00 0.00 H +ATOM 8284 HW2 SOL 2237 25.490 21.230 17.050 1.00 0.00 H +ATOM 8285 OW SOL 2238 0.050 0.270 37.070 1.00 0.00 O +ATOM 8286 HW1 SOL 2238 0.880 0.430 37.520 1.00 0.00 H +ATOM 8287 HW2 SOL 2238 -0.130 -0.650 37.230 1.00 0.00 H +ATOM 8288 OW SOL 2239 20.690 31.770 38.470 1.00 0.00 O +ATOM 8289 HW1 SOL 2239 21.280 32.420 38.090 1.00 0.00 H +ATOM 8290 HW2 SOL 2239 21.250 31.000 38.600 1.00 0.00 H +ATOM 8291 OW SOL 2240 23.040 11.500 30.110 1.00 0.00 O +ATOM 8292 HW1 SOL 2240 22.160 11.550 30.480 1.00 0.00 H +ATOM 8293 HW2 SOL 2240 23.540 12.140 30.620 1.00 0.00 H +ATOM 8294 OW SOL 2241 22.890 4.030 24.540 1.00 0.00 O +ATOM 8295 HW1 SOL 2241 22.930 3.070 24.540 1.00 0.00 H +ATOM 8296 HW2 SOL 2241 22.430 4.250 23.730 1.00 0.00 H +ATOM 8297 OW SOL 2242 0.970 37.860 7.030 1.00 0.00 O +ATOM 8298 HW1 SOL 2242 0.880 37.880 6.080 1.00 0.00 H +ATOM 8299 HW2 SOL 2242 0.150 38.220 7.360 1.00 0.00 H +ATOM 8300 OW SOL 2243 24.390 17.300 2.890 1.00 0.00 O +ATOM 8301 HW1 SOL 2243 23.860 17.380 2.100 1.00 0.00 H +ATOM 8302 HW2 SOL 2243 23.760 17.100 3.590 1.00 0.00 H +ATOM 8303 OW SOL 2244 39.060 53.560 10.540 1.00 0.00 O +ATOM 8304 HW1 SOL 2244 38.900 54.220 9.870 1.00 0.00 H +ATOM 8305 HW2 SOL 2244 38.750 52.740 10.150 1.00 0.00 H +ATOM 8306 OW SOL 2245 36.350 60.080 21.120 1.00 0.00 O +ATOM 8307 HW1 SOL 2245 35.720 59.870 20.430 1.00 0.00 H +ATOM 8308 HW2 SOL 2245 37.190 60.120 20.680 1.00 0.00 H +ATOM 8309 OW SOL 2246 27.790 57.570 35.660 1.00 0.00 O +ATOM 8310 HW1 SOL 2246 27.640 56.850 35.040 1.00 0.00 H +ATOM 8311 HW2 SOL 2246 27.010 58.120 35.590 1.00 0.00 H +ATOM 8312 OW SOL 2247 0.770 9.190 10.310 1.00 0.00 O +ATOM 8313 HW1 SOL 2247 1.100 9.760 11.010 1.00 0.00 H +ATOM 8314 HW2 SOL 2247 1.460 8.540 10.180 1.00 0.00 H +ATOM 8315 OW SOL 2248 52.780 32.550 6.370 1.00 0.00 O +ATOM 8316 HW1 SOL 2248 52.680 31.850 5.720 1.00 0.00 H +ATOM 8317 HW2 SOL 2248 51.960 33.050 6.310 1.00 0.00 H +ATOM 8318 OW SOL 2249 21.610 45.720 12.920 1.00 0.00 O +ATOM 8319 HW1 SOL 2249 21.960 44.950 13.360 1.00 0.00 H +ATOM 8320 HW2 SOL 2249 21.350 46.310 13.620 1.00 0.00 H +ATOM 8321 OW SOL 2250 46.690 3.130 19.350 1.00 0.00 O +ATOM 8322 HW1 SOL 2250 46.680 2.540 20.110 1.00 0.00 H +ATOM 8323 HW2 SOL 2250 47.250 3.850 19.610 1.00 0.00 H +ATOM 8324 OW SOL 2251 33.620 8.220 15.900 1.00 0.00 O +ATOM 8325 HW1 SOL 2251 34.220 7.470 15.980 1.00 0.00 H +ATOM 8326 HW2 SOL 2251 34.090 8.950 16.300 1.00 0.00 H +ATOM 8327 OW SOL 2252 30.640 14.450 27.520 1.00 0.00 O +ATOM 8328 HW1 SOL 2252 30.220 13.710 27.070 1.00 0.00 H +ATOM 8329 HW2 SOL 2252 30.010 14.720 28.180 1.00 0.00 H +ATOM 8330 OW SOL 2253 1.800 29.770 21.990 1.00 0.00 O +ATOM 8331 HW1 SOL 2253 1.510 30.680 21.940 1.00 0.00 H +ATOM 8332 HW2 SOL 2253 1.310 29.400 22.720 1.00 0.00 H +ATOM 8333 OW SOL 2254 42.280 47.240 13.230 1.00 0.00 O +ATOM 8334 HW1 SOL 2254 41.420 47.340 12.820 1.00 0.00 H +ATOM 8335 HW2 SOL 2254 42.610 48.130 13.310 1.00 0.00 H +ATOM 8336 OW SOL 2255 58.190 46.080 32.050 1.00 0.00 O +ATOM 8337 HW1 SOL 2255 58.920 45.530 31.790 1.00 0.00 H +ATOM 8338 HW2 SOL 2255 57.480 45.830 31.460 1.00 0.00 H +ATOM 8339 OW SOL 2256 50.630 18.280 13.510 1.00 0.00 O +ATOM 8340 HW1 SOL 2256 50.020 17.980 14.190 1.00 0.00 H +ATOM 8341 HW2 SOL 2256 51.450 18.450 13.990 1.00 0.00 H +ATOM 8342 OW SOL 2257 11.040 33.460 35.890 1.00 0.00 O +ATOM 8343 HW1 SOL 2257 10.910 32.900 36.660 1.00 0.00 H +ATOM 8344 HW2 SOL 2257 11.130 34.350 36.250 1.00 0.00 H +ATOM 8345 OW SOL 2258 12.380 30.730 16.250 1.00 0.00 O +ATOM 8346 HW1 SOL 2258 12.840 30.260 15.550 1.00 0.00 H +ATOM 8347 HW2 SOL 2258 13.050 30.840 16.930 1.00 0.00 H +ATOM 8348 OW SOL 2259 37.130 12.570 10.510 1.00 0.00 O +ATOM 8349 HW1 SOL 2259 38.040 12.260 10.420 1.00 0.00 H +ATOM 8350 HW2 SOL 2259 37.090 12.920 11.400 1.00 0.00 H +ATOM 8351 OW SOL 2260 15.570 35.620 30.660 1.00 0.00 O +ATOM 8352 HW1 SOL 2260 16.130 35.610 31.440 1.00 0.00 H +ATOM 8353 HW2 SOL 2260 15.160 36.490 30.680 1.00 0.00 H +ATOM 8354 OW SOL 2261 33.690 14.050 19.990 1.00 0.00 O +ATOM 8355 HW1 SOL 2261 33.810 14.870 19.510 1.00 0.00 H +ATOM 8356 HW2 SOL 2261 34.350 13.460 19.620 1.00 0.00 H +ATOM 8357 OW SOL 2262 37.740 55.050 50.520 1.00 0.00 O +ATOM 8358 HW1 SOL 2262 38.680 55.160 50.340 1.00 0.00 H +ATOM 8359 HW2 SOL 2262 37.710 54.480 51.280 1.00 0.00 H +ATOM 8360 OW SOL 2263 64.340 27.700 38.430 1.00 0.00 O +ATOM 8361 HW1 SOL 2263 65.270 27.770 38.640 1.00 0.00 H +ATOM 8362 HW2 SOL 2263 64.090 28.580 38.140 1.00 0.00 H +ATOM 8363 OW SOL 2264 12.560 38.720 28.070 1.00 0.00 O +ATOM 8364 HW1 SOL 2264 12.180 38.860 27.200 1.00 0.00 H +ATOM 8365 HW2 SOL 2264 13.400 39.170 28.030 1.00 0.00 H +ATOM 8366 OW SOL 2265 31.930 37.190 39.800 1.00 0.00 O +ATOM 8367 HW1 SOL 2265 31.810 38.060 40.170 1.00 0.00 H +ATOM 8368 HW2 SOL 2265 31.420 37.190 38.990 1.00 0.00 H +ATOM 8369 OW SOL 2266 19.560 0.440 1.680 1.00 0.00 O +ATOM 8370 HW1 SOL 2266 19.890 -0.450 1.750 1.00 0.00 H +ATOM 8371 HW2 SOL 2266 19.130 0.470 0.820 1.00 0.00 H +ATOM 8372 OW SOL 2267 21.070 24.330 45.720 1.00 0.00 O +ATOM 8373 HW1 SOL 2267 20.480 25.070 45.800 1.00 0.00 H +ATOM 8374 HW2 SOL 2267 20.660 23.630 46.230 1.00 0.00 H +ATOM 8375 OW SOL 2268 37.520 21.360 20.500 1.00 0.00 O +ATOM 8376 HW1 SOL 2268 36.810 21.790 20.030 1.00 0.00 H +ATOM 8377 HW2 SOL 2268 37.700 20.570 20.000 1.00 0.00 H +ATOM 8378 OW SOL 2269 59.970 53.810 4.690 1.00 0.00 O +ATOM 8379 HW1 SOL 2269 60.710 53.560 4.130 1.00 0.00 H +ATOM 8380 HW2 SOL 2269 59.360 53.070 4.630 1.00 0.00 H +ATOM 8381 OW SOL 2270 57.140 18.100 50.460 1.00 0.00 O +ATOM 8382 HW1 SOL 2270 58.030 18.400 50.640 1.00 0.00 H +ATOM 8383 HW2 SOL 2270 56.860 17.680 51.270 1.00 0.00 H +ATOM 8384 OW SOL 2271 53.360 27.350 25.840 1.00 0.00 O +ATOM 8385 HW1 SOL 2271 53.540 28.100 25.270 1.00 0.00 H +ATOM 8386 HW2 SOL 2271 54.220 27.010 26.080 1.00 0.00 H +ATOM 8387 OW SOL 2272 57.100 1.320 34.040 1.00 0.00 O +ATOM 8388 HW1 SOL 2272 57.290 1.380 34.980 1.00 0.00 H +ATOM 8389 HW2 SOL 2272 57.670 1.970 33.640 1.00 0.00 H +ATOM 8390 OW SOL 2273 57.930 55.620 5.120 1.00 0.00 O +ATOM 8391 HW1 SOL 2273 58.620 54.970 5.010 1.00 0.00 H +ATOM 8392 HW2 SOL 2273 57.300 55.200 5.710 1.00 0.00 H +ATOM 8393 OW SOL 2274 60.070 32.180 5.660 1.00 0.00 O +ATOM 8394 HW1 SOL 2274 59.240 32.020 6.110 1.00 0.00 H +ATOM 8395 HW2 SOL 2274 60.180 31.420 5.090 1.00 0.00 H +ATOM 8396 OW SOL 2275 25.810 30.660 4.120 1.00 0.00 O +ATOM 8397 HW1 SOL 2275 26.690 30.360 4.330 1.00 0.00 H +ATOM 8398 HW2 SOL 2275 25.420 30.890 4.960 1.00 0.00 H +ATOM 8399 OW SOL 2276 32.720 22.510 24.370 1.00 0.00 O +ATOM 8400 HW1 SOL 2276 33.030 21.790 23.820 1.00 0.00 H +ATOM 8401 HW2 SOL 2276 33.510 22.840 24.800 1.00 0.00 H +ATOM 8402 OW SOL 2277 8.740 1.670 45.580 1.00 0.00 O +ATOM 8403 HW1 SOL 2277 9.450 1.360 46.150 1.00 0.00 H +ATOM 8404 HW2 SOL 2277 8.500 2.520 45.950 1.00 0.00 H +ATOM 8405 OW SOL 2278 25.980 11.210 42.420 1.00 0.00 O +ATOM 8406 HW1 SOL 2278 25.620 10.600 41.770 1.00 0.00 H +ATOM 8407 HW2 SOL 2278 25.760 10.800 43.260 1.00 0.00 H +ATOM 8408 OW SOL 2279 24.240 1.120 26.360 1.00 0.00 O +ATOM 8409 HW1 SOL 2279 23.310 1.220 26.550 1.00 0.00 H +ATOM 8410 HW2 SOL 2279 24.280 1.050 25.400 1.00 0.00 H +ATOM 8411 OW SOL 2280 1.700 38.670 43.560 1.00 0.00 O +ATOM 8412 HW1 SOL 2280 2.240 39.270 43.040 1.00 0.00 H +ATOM 8413 HW2 SOL 2280 1.400 38.020 42.930 1.00 0.00 H +ATOM 8414 OW SOL 2281 53.490 28.420 30.600 1.00 0.00 O +ATOM 8415 HW1 SOL 2281 53.080 28.370 31.460 1.00 0.00 H +ATOM 8416 HW2 SOL 2281 52.920 29.000 30.090 1.00 0.00 H +ATOM 8417 OW SOL 2282 44.620 15.860 29.670 1.00 0.00 O +ATOM 8418 HW1 SOL 2282 43.900 15.230 29.580 1.00 0.00 H +ATOM 8419 HW2 SOL 2282 45.390 15.320 29.810 1.00 0.00 H +ATOM 8420 OW SOL 2283 26.200 19.870 23.820 1.00 0.00 O +ATOM 8421 HW1 SOL 2283 25.920 19.010 23.530 1.00 0.00 H +ATOM 8422 HW2 SOL 2283 25.400 20.390 23.850 1.00 0.00 H +ATOM 8423 OW SOL 2284 17.240 32.400 2.070 1.00 0.00 O +ATOM 8424 HW1 SOL 2284 18.020 32.580 2.610 1.00 0.00 H +ATOM 8425 HW2 SOL 2284 17.480 32.730 1.200 1.00 0.00 H +ATOM 8426 OW SOL 2285 10.760 19.150 46.900 1.00 0.00 O +ATOM 8427 HW1 SOL 2285 10.270 18.870 47.670 1.00 0.00 H +ATOM 8428 HW2 SOL 2285 11.680 19.090 47.160 1.00 0.00 H +ATOM 8429 OW SOL 2286 44.550 54.690 33.190 1.00 0.00 O +ATOM 8430 HW1 SOL 2286 44.880 54.200 33.940 1.00 0.00 H +ATOM 8431 HW2 SOL 2286 44.630 54.090 32.450 1.00 0.00 H +ATOM 8432 OW SOL 2287 44.420 12.550 21.910 1.00 0.00 O +ATOM 8433 HW1 SOL 2287 44.080 11.890 22.510 1.00 0.00 H +ATOM 8434 HW2 SOL 2287 45.360 12.550 22.060 1.00 0.00 H +ATOM 8435 OW SOL 2288 49.320 55.440 12.500 1.00 0.00 O +ATOM 8436 HW1 SOL 2288 49.180 54.490 12.530 1.00 0.00 H +ATOM 8437 HW2 SOL 2288 48.790 55.730 11.760 1.00 0.00 H +ATOM 8438 OW SOL 2289 19.960 47.580 27.490 1.00 0.00 O +ATOM 8439 HW1 SOL 2289 20.780 47.280 27.090 1.00 0.00 H +ATOM 8440 HW2 SOL 2289 20.210 47.850 28.370 1.00 0.00 H +ATOM 8441 OW SOL 2290 29.380 1.970 46.940 1.00 0.00 O +ATOM 8442 HW1 SOL 2290 28.720 2.670 46.880 1.00 0.00 H +ATOM 8443 HW2 SOL 2290 29.030 1.270 46.380 1.00 0.00 H +ATOM 8444 OW SOL 2291 38.630 22.710 10.780 1.00 0.00 O +ATOM 8445 HW1 SOL 2291 37.970 23.200 10.290 1.00 0.00 H +ATOM 8446 HW2 SOL 2291 38.140 22.030 11.240 1.00 0.00 H +ATOM 8447 OW SOL 2292 64.110 57.110 15.730 1.00 0.00 O +ATOM 8448 HW1 SOL 2292 63.450 56.820 15.110 1.00 0.00 H +ATOM 8449 HW2 SOL 2292 64.310 56.330 16.250 1.00 0.00 H +ATOM 8450 OW SOL 2293 53.540 60.390 47.490 1.00 0.00 O +ATOM 8451 HW1 SOL 2293 52.870 60.790 48.050 1.00 0.00 H +ATOM 8452 HW2 SOL 2293 54.360 60.780 47.790 1.00 0.00 H +ATOM 8453 OW SOL 2294 19.090 36.630 51.710 1.00 0.00 O +ATOM 8454 HW1 SOL 2294 18.300 36.320 52.140 1.00 0.00 H +ATOM 8455 HW2 SOL 2294 19.800 36.210 52.180 1.00 0.00 H +ATOM 8456 OW SOL 2295 5.570 8.480 12.020 1.00 0.00 O +ATOM 8457 HW1 SOL 2295 6.460 8.280 11.740 1.00 0.00 H +ATOM 8458 HW2 SOL 2295 5.270 7.690 12.470 1.00 0.00 H +ATOM 8459 OW SOL 2296 31.010 29.670 52.350 1.00 0.00 O +ATOM 8460 HW1 SOL 2296 30.650 30.510 52.620 1.00 0.00 H +ATOM 8461 HW2 SOL 2296 30.260 29.080 52.340 1.00 0.00 H +ATOM 8462 OW SOL 2297 22.450 6.970 19.460 1.00 0.00 O +ATOM 8463 HW1 SOL 2297 23.330 7.340 19.610 1.00 0.00 H +ATOM 8464 HW2 SOL 2297 22.090 7.510 18.750 1.00 0.00 H +ATOM 8465 OW SOL 2298 63.200 50.130 24.440 1.00 0.00 O +ATOM 8466 HW1 SOL 2298 64.140 50.250 24.300 1.00 0.00 H +ATOM 8467 HW2 SOL 2298 63.130 49.860 25.360 1.00 0.00 H +ATOM 8468 OW SOL 2299 46.170 36.170 53.490 1.00 0.00 O +ATOM 8469 HW1 SOL 2299 45.860 35.930 52.610 1.00 0.00 H +ATOM 8470 HW2 SOL 2299 45.990 35.390 54.020 1.00 0.00 H +ATOM 8471 OW SOL 2300 35.400 56.640 6.960 1.00 0.00 O +ATOM 8472 HW1 SOL 2300 35.050 57.360 7.480 1.00 0.00 H +ATOM 8473 HW2 SOL 2300 34.830 55.900 7.160 1.00 0.00 H +ATOM 8474 OW SOL 2301 63.590 33.900 13.990 1.00 0.00 O +ATOM 8475 HW1 SOL 2301 63.410 33.220 13.350 1.00 0.00 H +ATOM 8476 HW2 SOL 2301 62.740 34.330 14.140 1.00 0.00 H +ATOM 8477 OW SOL 2302 56.110 27.730 1.360 1.00 0.00 O +ATOM 8478 HW1 SOL 2302 55.380 27.180 1.110 1.00 0.00 H +ATOM 8479 HW2 SOL 2302 56.460 28.060 0.530 1.00 0.00 H +ATOM 8480 OW SOL 2303 16.850 46.240 23.210 1.00 0.00 O +ATOM 8481 HW1 SOL 2303 17.670 45.760 23.320 1.00 0.00 H +ATOM 8482 HW2 SOL 2303 17.110 47.160 23.140 1.00 0.00 H +ATOM 8483 OW SOL 2304 59.610 20.500 22.720 1.00 0.00 O +ATOM 8484 HW1 SOL 2304 59.580 21.440 22.890 1.00 0.00 H +ATOM 8485 HW2 SOL 2304 58.840 20.320 22.180 1.00 0.00 H +ATOM 8486 OW SOL 2305 30.740 57.880 2.400 1.00 0.00 O +ATOM 8487 HW1 SOL 2305 30.630 58.070 3.330 1.00 0.00 H +ATOM 8488 HW2 SOL 2305 31.640 57.560 2.330 1.00 0.00 H +ATOM 8489 OW SOL 2306 19.080 31.410 40.700 1.00 0.00 O +ATOM 8490 HW1 SOL 2306 19.800 31.630 40.110 1.00 0.00 H +ATOM 8491 HW2 SOL 2306 18.660 30.650 40.290 1.00 0.00 H +ATOM 8492 OW SOL 2307 11.380 7.760 51.820 1.00 0.00 O +ATOM 8493 HW1 SOL 2307 11.880 7.780 52.640 1.00 0.00 H +ATOM 8494 HW2 SOL 2307 11.940 8.210 51.190 1.00 0.00 H +ATOM 8495 OW SOL 2308 35.570 9.640 53.280 1.00 0.00 O +ATOM 8496 HW1 SOL 2308 34.920 8.950 53.350 1.00 0.00 H +ATOM 8497 HW2 SOL 2308 35.240 10.340 53.840 1.00 0.00 H +ATOM 8498 OW SOL 2309 32.330 25.090 16.150 1.00 0.00 O +ATOM 8499 HW1 SOL 2309 32.840 24.980 15.350 1.00 0.00 H +ATOM 8500 HW2 SOL 2309 31.510 25.480 15.860 1.00 0.00 H +ATOM 8501 OW SOL 2310 3.190 12.510 48.050 1.00 0.00 O +ATOM 8502 HW1 SOL 2310 3.170 13.460 48.170 1.00 0.00 H +ATOM 8503 HW2 SOL 2310 4.120 12.300 47.970 1.00 0.00 H +ATOM 8504 OW SOL 2311 56.860 42.150 50.810 1.00 0.00 O +ATOM 8505 HW1 SOL 2311 56.800 41.580 51.570 1.00 0.00 H +ATOM 8506 HW2 SOL 2311 56.570 41.620 50.070 1.00 0.00 H +ATOM 8507 OW SOL 2312 54.240 24.920 7.860 1.00 0.00 O +ATOM 8508 HW1 SOL 2312 55.110 24.530 7.750 1.00 0.00 H +ATOM 8509 HW2 SOL 2312 54.430 25.850 8.020 1.00 0.00 H +ATOM 8510 OW SOL 2313 56.000 28.550 45.960 1.00 0.00 O +ATOM 8511 HW1 SOL 2313 56.150 28.290 46.870 1.00 0.00 H +ATOM 8512 HW2 SOL 2313 55.690 29.460 46.010 1.00 0.00 H +ATOM 8513 OW SOL 2314 52.340 16.420 25.660 1.00 0.00 O +ATOM 8514 HW1 SOL 2314 51.740 17.010 25.200 1.00 0.00 H +ATOM 8515 HW2 SOL 2314 51.900 16.240 26.490 1.00 0.00 H +ATOM 8516 OW SOL 2315 51.430 20.790 4.120 1.00 0.00 O +ATOM 8517 HW1 SOL 2315 52.040 21.390 3.680 1.00 0.00 H +ATOM 8518 HW2 SOL 2315 50.570 21.010 3.750 1.00 0.00 H +ATOM 8519 OW SOL 2316 65.240 0.230 49.320 1.00 0.00 O +ATOM 8520 HW1 SOL 2316 65.030 -0.390 48.620 1.00 0.00 H +ATOM 8521 HW2 SOL 2316 66.020 0.690 49.000 1.00 0.00 H +ATOM 8522 OW SOL 2317 2.950 32.810 42.180 1.00 0.00 O +ATOM 8523 HW1 SOL 2317 2.140 33.110 41.770 1.00 0.00 H +ATOM 8524 HW2 SOL 2317 3.070 33.400 42.920 1.00 0.00 H +ATOM 8525 OW SOL 2318 31.390 61.920 52.220 1.00 0.00 O +ATOM 8526 HW1 SOL 2318 31.600 61.180 52.790 1.00 0.00 H +ATOM 8527 HW2 SOL 2318 31.340 61.550 51.340 1.00 0.00 H +ATOM 8528 OW SOL 2319 56.890 61.220 14.200 1.00 0.00 O +ATOM 8529 HW1 SOL 2319 56.960 62.130 13.900 1.00 0.00 H +ATOM 8530 HW2 SOL 2319 57.560 61.130 14.870 1.00 0.00 H +ATOM 8531 OW SOL 2320 42.110 31.370 32.640 1.00 0.00 O +ATOM 8532 HW1 SOL 2320 41.300 31.710 32.260 1.00 0.00 H +ATOM 8533 HW2 SOL 2320 42.230 31.890 33.430 1.00 0.00 H +ATOM 8534 OW SOL 2321 60.640 55.570 7.230 1.00 0.00 O +ATOM 8535 HW1 SOL 2321 60.560 54.720 6.810 1.00 0.00 H +ATOM 8536 HW2 SOL 2321 60.150 55.480 8.050 1.00 0.00 H +ATOM 8537 OW SOL 2322 27.710 3.220 8.530 1.00 0.00 O +ATOM 8538 HW1 SOL 2322 28.650 3.350 8.640 1.00 0.00 H +ATOM 8539 HW2 SOL 2322 27.400 4.050 8.150 1.00 0.00 H +ATOM 8540 OW SOL 2323 11.060 27.460 23.320 1.00 0.00 O +ATOM 8541 HW1 SOL 2323 11.840 27.870 23.690 1.00 0.00 H +ATOM 8542 HW2 SOL 2323 11.330 27.210 22.430 1.00 0.00 H +ATOM 8543 OW SOL 2324 2.880 38.420 9.170 1.00 0.00 O +ATOM 8544 HW1 SOL 2324 2.500 38.070 8.370 1.00 0.00 H +ATOM 8545 HW2 SOL 2324 3.650 38.910 8.880 1.00 0.00 H +ATOM 8546 OW SOL 2325 6.150 50.500 6.640 1.00 0.00 O +ATOM 8547 HW1 SOL 2325 5.210 50.350 6.550 1.00 0.00 H +ATOM 8548 HW2 SOL 2325 6.310 51.330 6.190 1.00 0.00 H +ATOM 8549 OW SOL 2326 28.970 18.120 41.180 1.00 0.00 O +ATOM 8550 HW1 SOL 2326 29.200 18.060 42.110 1.00 0.00 H +ATOM 8551 HW2 SOL 2326 28.420 17.360 41.020 1.00 0.00 H +ATOM 8552 OW SOL 2327 4.910 18.650 32.340 1.00 0.00 O +ATOM 8553 HW1 SOL 2327 4.750 17.720 32.530 1.00 0.00 H +ATOM 8554 HW2 SOL 2327 5.630 18.640 31.710 1.00 0.00 H +ATOM 8555 OW SOL 2328 7.000 17.750 30.460 1.00 0.00 O +ATOM 8556 HW1 SOL 2328 7.220 17.200 31.210 1.00 0.00 H +ATOM 8557 HW2 SOL 2328 7.830 18.140 30.180 1.00 0.00 H +ATOM 8558 OW SOL 2329 8.320 9.860 37.480 1.00 0.00 O +ATOM 8559 HW1 SOL 2329 8.990 9.310 37.900 1.00 0.00 H +ATOM 8560 HW2 SOL 2329 8.060 10.480 38.160 1.00 0.00 H +ATOM 8561 OW SOL 2330 49.890 10.100 48.520 1.00 0.00 O +ATOM 8562 HW1 SOL 2330 49.290 9.470 48.140 1.00 0.00 H +ATOM 8563 HW2 SOL 2330 50.640 9.580 48.810 1.00 0.00 H +ATOM 8564 OW SOL 2331 28.610 39.700 14.920 1.00 0.00 O +ATOM 8565 HW1 SOL 2331 29.280 39.150 15.330 1.00 0.00 H +ATOM 8566 HW2 SOL 2331 27.810 39.180 14.980 1.00 0.00 H +ATOM 8567 OW SOL 2332 15.920 31.190 49.700 1.00 0.00 O +ATOM 8568 HW1 SOL 2332 16.650 31.570 50.180 1.00 0.00 H +ATOM 8569 HW2 SOL 2332 16.220 31.130 48.800 1.00 0.00 H +ATOM 8570 OW SOL 2333 22.180 4.420 18.690 1.00 0.00 O +ATOM 8571 HW1 SOL 2333 22.240 5.330 18.960 1.00 0.00 H +ATOM 8572 HW2 SOL 2333 22.950 4.270 18.140 1.00 0.00 H +ATOM 8573 OW SOL 2334 13.360 61.650 31.900 1.00 0.00 O +ATOM 8574 HW1 SOL 2334 12.460 61.700 31.560 1.00 0.00 H +ATOM 8575 HW2 SOL 2334 13.300 61.990 32.790 1.00 0.00 H +ATOM 8576 OW SOL 2335 36.360 19.920 41.420 1.00 0.00 O +ATOM 8577 HW1 SOL 2335 37.140 20.430 41.180 1.00 0.00 H +ATOM 8578 HW2 SOL 2335 35.730 20.570 41.730 1.00 0.00 H +ATOM 8579 OW SOL 2336 15.780 42.830 1.280 1.00 0.00 O +ATOM 8580 HW1 SOL 2336 16.050 43.440 0.590 1.00 0.00 H +ATOM 8581 HW2 SOL 2336 15.110 43.300 1.770 1.00 0.00 H +ATOM 8582 OW SOL 2337 32.040 19.300 13.380 1.00 0.00 O +ATOM 8583 HW1 SOL 2337 32.170 20.200 13.690 1.00 0.00 H +ATOM 8584 HW2 SOL 2337 31.120 19.120 13.560 1.00 0.00 H +ATOM 8585 OW SOL 2338 61.380 7.700 7.090 1.00 0.00 O +ATOM 8586 HW1 SOL 2338 61.820 7.430 6.280 1.00 0.00 H +ATOM 8587 HW2 SOL 2338 60.480 7.870 6.820 1.00 0.00 H +ATOM 8588 OW SOL 2339 16.740 29.140 19.250 1.00 0.00 O +ATOM 8589 HW1 SOL 2339 17.240 29.420 18.480 1.00 0.00 H +ATOM 8590 HW2 SOL 2339 16.580 28.210 19.110 1.00 0.00 H +ATOM 8591 OW SOL 2340 3.530 5.600 51.150 1.00 0.00 O +ATOM 8592 HW1 SOL 2340 3.380 6.150 50.390 1.00 0.00 H +ATOM 8593 HW2 SOL 2340 4.300 5.980 51.580 1.00 0.00 H +ATOM 8594 OW SOL 2341 12.730 54.380 34.020 1.00 0.00 O +ATOM 8595 HW1 SOL 2341 12.100 54.340 33.300 1.00 0.00 H +ATOM 8596 HW2 SOL 2341 12.520 55.200 34.470 1.00 0.00 H +ATOM 8597 OW SOL 2342 9.260 21.030 3.090 1.00 0.00 O +ATOM 8598 HW1 SOL 2342 9.950 20.780 3.710 1.00 0.00 H +ATOM 8599 HW2 SOL 2342 8.470 21.090 3.630 1.00 0.00 H +ATOM 8600 OW SOL 2343 12.210 31.280 9.260 1.00 0.00 O +ATOM 8601 HW1 SOL 2343 12.250 31.300 10.220 1.00 0.00 H +ATOM 8602 HW2 SOL 2343 11.300 31.060 9.070 1.00 0.00 H +ATOM 8603 OW SOL 2344 3.250 59.380 31.280 1.00 0.00 O +ATOM 8604 HW1 SOL 2344 3.630 59.040 32.090 1.00 0.00 H +ATOM 8605 HW2 SOL 2344 3.900 59.180 30.610 1.00 0.00 H +ATOM 8606 OW SOL 2345 16.780 15.610 22.380 1.00 0.00 O +ATOM 8607 HW1 SOL 2345 16.220 16.300 22.030 1.00 0.00 H +ATOM 8608 HW2 SOL 2345 17.570 15.640 21.840 1.00 0.00 H +ATOM 8609 OW SOL 2346 3.150 36.980 35.670 1.00 0.00 O +ATOM 8610 HW1 SOL 2346 2.830 36.090 35.560 1.00 0.00 H +ATOM 8611 HW2 SOL 2346 4.100 36.910 35.620 1.00 0.00 H +ATOM 8612 OW SOL 2347 55.240 44.570 3.900 1.00 0.00 O +ATOM 8613 HW1 SOL 2347 55.020 45.500 3.830 1.00 0.00 H +ATOM 8614 HW2 SOL 2347 55.270 44.400 4.840 1.00 0.00 H +ATOM 8615 OW SOL 2348 32.330 32.170 47.870 1.00 0.00 O +ATOM 8616 HW1 SOL 2348 33.270 32.200 48.050 1.00 0.00 H +ATOM 8617 HW2 SOL 2348 32.000 31.470 48.440 1.00 0.00 H +ATOM 8618 OW SOL 2349 37.820 24.740 18.810 1.00 0.00 O +ATOM 8619 HW1 SOL 2349 37.300 25.420 19.240 1.00 0.00 H +ATOM 8620 HW2 SOL 2349 37.200 24.020 18.660 1.00 0.00 H +ATOM 8621 OW SOL 2350 49.400 42.180 13.850 1.00 0.00 O +ATOM 8622 HW1 SOL 2350 49.090 42.490 13.000 1.00 0.00 H +ATOM 8623 HW2 SOL 2350 48.780 41.490 14.100 1.00 0.00 H +ATOM 8624 OW SOL 2351 41.270 52.310 37.890 1.00 0.00 O +ATOM 8625 HW1 SOL 2351 41.070 53.230 38.050 1.00 0.00 H +ATOM 8626 HW2 SOL 2351 42.150 52.190 38.240 1.00 0.00 H +ATOM 8627 OW SOL 2352 33.500 9.300 5.170 1.00 0.00 O +ATOM 8628 HW1 SOL 2352 33.500 8.350 5.270 1.00 0.00 H +ATOM 8629 HW2 SOL 2352 33.390 9.440 4.230 1.00 0.00 H +ATOM 8630 OW SOL 2353 27.650 26.330 5.980 1.00 0.00 O +ATOM 8631 HW1 SOL 2353 28.430 25.800 5.880 1.00 0.00 H +ATOM 8632 HW2 SOL 2353 26.920 25.740 5.770 1.00 0.00 H +ATOM 8633 OW SOL 2354 15.540 8.640 3.920 1.00 0.00 O +ATOM 8634 HW1 SOL 2354 15.860 9.450 4.340 1.00 0.00 H +ATOM 8635 HW2 SOL 2354 15.110 8.940 3.120 1.00 0.00 H +ATOM 8636 OW SOL 2355 54.000 15.940 20.640 1.00 0.00 O +ATOM 8637 HW1 SOL 2355 53.430 15.310 21.100 1.00 0.00 H +ATOM 8638 HW2 SOL 2355 54.790 15.980 21.180 1.00 0.00 H +ATOM 8639 OW SOL 2356 13.230 54.060 10.650 1.00 0.00 O +ATOM 8640 HW1 SOL 2356 13.420 54.780 11.240 1.00 0.00 H +ATOM 8641 HW2 SOL 2356 12.980 54.480 9.830 1.00 0.00 H +ATOM 8642 OW SOL 2357 18.990 29.390 50.590 1.00 0.00 O +ATOM 8643 HW1 SOL 2357 18.480 28.590 50.640 1.00 0.00 H +ATOM 8644 HW2 SOL 2357 18.550 30.000 51.180 1.00 0.00 H +ATOM 8645 OW SOL 2358 33.000 4.120 11.420 1.00 0.00 O +ATOM 8646 HW1 SOL 2358 32.340 4.370 12.060 1.00 0.00 H +ATOM 8647 HW2 SOL 2358 33.140 4.910 10.900 1.00 0.00 H +ATOM 8648 OW SOL 2359 43.050 7.930 1.000 1.00 0.00 O +ATOM 8649 HW1 SOL 2359 42.170 7.680 1.290 1.00 0.00 H +ATOM 8650 HW2 SOL 2359 43.080 7.670 0.080 1.00 0.00 H +ATOM 8651 OW SOL 2360 5.920 5.550 37.540 1.00 0.00 O +ATOM 8652 HW1 SOL 2360 5.070 5.550 37.110 1.00 0.00 H +ATOM 8653 HW2 SOL 2360 5.760 5.170 38.410 1.00 0.00 H +ATOM 8654 OW SOL 2361 53.180 34.420 19.890 1.00 0.00 O +ATOM 8655 HW1 SOL 2361 53.990 34.490 20.400 1.00 0.00 H +ATOM 8656 HW2 SOL 2361 53.250 35.120 19.240 1.00 0.00 H +ATOM 8657 OW SOL 2362 33.050 12.250 29.780 1.00 0.00 O +ATOM 8658 HW1 SOL 2362 32.860 12.110 28.850 1.00 0.00 H +ATOM 8659 HW2 SOL 2362 33.890 12.710 29.780 1.00 0.00 H +ATOM 8660 OW SOL 2363 11.080 50.710 37.830 1.00 0.00 O +ATOM 8661 HW1 SOL 2363 10.920 49.780 38.000 1.00 0.00 H +ATOM 8662 HW2 SOL 2363 10.660 51.160 38.570 1.00 0.00 H +ATOM 8663 OW SOL 2364 1.170 52.330 31.660 1.00 0.00 O +ATOM 8664 HW1 SOL 2364 1.080 51.400 31.460 1.00 0.00 H +ATOM 8665 HW2 SOL 2364 1.960 52.390 32.190 1.00 0.00 H +ATOM 8666 OW SOL 2365 52.070 0.480 24.960 1.00 0.00 O +ATOM 8667 HW1 SOL 2365 52.640 1.240 24.930 1.00 0.00 H +ATOM 8668 HW2 SOL 2365 51.260 0.760 24.530 1.00 0.00 H +ATOM 8669 OW SOL 2366 14.000 27.430 23.490 1.00 0.00 O +ATOM 8670 HW1 SOL 2366 14.890 27.500 23.150 1.00 0.00 H +ATOM 8671 HW2 SOL 2366 14.070 27.720 24.400 1.00 0.00 H +ATOM 8672 OW SOL 2367 13.260 26.240 3.760 1.00 0.00 O +ATOM 8673 HW1 SOL 2367 13.800 26.930 3.380 1.00 0.00 H +ATOM 8674 HW2 SOL 2367 12.550 26.110 3.120 1.00 0.00 H +ATOM 8675 OW SOL 2368 16.610 10.140 29.200 1.00 0.00 O +ATOM 8676 HW1 SOL 2368 17.210 9.830 28.520 1.00 0.00 H +ATOM 8677 HW2 SOL 2368 17.120 10.790 29.690 1.00 0.00 H +ATOM 8678 OW SOL 2369 3.770 30.580 35.400 1.00 0.00 O +ATOM 8679 HW1 SOL 2369 3.900 30.180 34.540 1.00 0.00 H +ATOM 8680 HW2 SOL 2369 4.500 31.200 35.480 1.00 0.00 H +ATOM 8681 OW SOL 2370 1.360 28.600 42.470 1.00 0.00 O +ATOM 8682 HW1 SOL 2370 1.520 29.400 41.970 1.00 0.00 H +ATOM 8683 HW2 SOL 2370 2.110 28.530 43.070 1.00 0.00 H +ATOM 8684 OW SOL 2371 22.570 24.350 16.680 1.00 0.00 O +ATOM 8685 HW1 SOL 2371 22.210 25.230 16.540 1.00 0.00 H +ATOM 8686 HW2 SOL 2371 21.940 23.930 17.260 1.00 0.00 H +ATOM 8687 OW SOL 2372 45.460 8.170 47.980 1.00 0.00 O +ATOM 8688 HW1 SOL 2372 45.340 7.540 48.690 1.00 0.00 H +ATOM 8689 HW2 SOL 2372 45.590 7.630 47.200 1.00 0.00 H +ATOM 8690 OW SOL 2373 65.400 52.010 10.870 1.00 0.00 O +ATOM 8691 HW1 SOL 2373 66.270 52.380 10.780 1.00 0.00 H +ATOM 8692 HW2 SOL 2373 65.150 52.220 11.770 1.00 0.00 H +ATOM 8693 OW SOL 2374 33.930 20.060 30.800 1.00 0.00 O +ATOM 8694 HW1 SOL 2374 33.810 19.120 30.710 1.00 0.00 H +ATOM 8695 HW2 SOL 2374 33.520 20.430 30.020 1.00 0.00 H +ATOM 8696 OW SOL 2375 1.740 18.640 18.350 1.00 0.00 O +ATOM 8697 HW1 SOL 2375 1.020 18.990 17.830 1.00 0.00 H +ATOM 8698 HW2 SOL 2375 2.510 19.130 18.050 1.00 0.00 H +ATOM 8699 OW SOL 2376 35.310 57.230 14.080 1.00 0.00 O +ATOM 8700 HW1 SOL 2376 34.480 56.780 14.220 1.00 0.00 H +ATOM 8701 HW2 SOL 2376 35.970 56.560 14.190 1.00 0.00 H +ATOM 8702 OW SOL 2377 32.790 58.520 37.740 1.00 0.00 O +ATOM 8703 HW1 SOL 2377 32.080 58.540 37.100 1.00 0.00 H +ATOM 8704 HW2 SOL 2377 33.580 58.360 37.220 1.00 0.00 H +ATOM 8705 OW SOL 2378 0.230 22.930 19.620 1.00 0.00 O +ATOM 8706 HW1 SOL 2378 0.280 23.880 19.730 1.00 0.00 H +ATOM 8707 HW2 SOL 2378 1.040 22.600 20.010 1.00 0.00 H +ATOM 8708 OW SOL 2379 44.650 50.080 44.200 1.00 0.00 O +ATOM 8709 HW1 SOL 2379 43.770 50.060 44.570 1.00 0.00 H +ATOM 8710 HW2 SOL 2379 44.810 51.000 43.990 1.00 0.00 H +ATOM 8711 OW SOL 2380 45.670 27.730 36.520 1.00 0.00 O +ATOM 8712 HW1 SOL 2380 45.380 28.570 36.870 1.00 0.00 H +ATOM 8713 HW2 SOL 2380 45.030 27.100 36.850 1.00 0.00 H +ATOM 8714 OW SOL 2381 58.550 31.270 47.840 1.00 0.00 O +ATOM 8715 HW1 SOL 2381 58.550 32.220 47.850 1.00 0.00 H +ATOM 8716 HW2 SOL 2381 57.620 31.020 47.890 1.00 0.00 H +ATOM 8717 OW SOL 2382 22.360 18.460 19.840 1.00 0.00 O +ATOM 8718 HW1 SOL 2382 21.710 17.760 19.960 1.00 0.00 H +ATOM 8719 HW2 SOL 2382 23.180 17.990 19.680 1.00 0.00 H +ATOM 8720 OW SOL 2383 17.050 26.330 45.340 1.00 0.00 O +ATOM 8721 HW1 SOL 2383 16.330 26.030 44.790 1.00 0.00 H +ATOM 8722 HW2 SOL 2383 17.520 25.530 45.580 1.00 0.00 H +ATOM 8723 OW SOL 2384 19.560 6.800 27.510 1.00 0.00 O +ATOM 8724 HW1 SOL 2384 20.460 6.500 27.430 1.00 0.00 H +ATOM 8725 HW2 SOL 2384 19.060 6.220 26.940 1.00 0.00 H +ATOM 8726 OW SOL 2385 28.730 40.310 43.960 1.00 0.00 O +ATOM 8727 HW1 SOL 2385 28.460 40.960 44.600 1.00 0.00 H +ATOM 8728 HW2 SOL 2385 29.160 40.820 43.270 1.00 0.00 H +ATOM 8729 OW SOL 2386 30.070 49.030 48.870 1.00 0.00 O +ATOM 8730 HW1 SOL 2386 31.010 49.000 48.690 1.00 0.00 H +ATOM 8731 HW2 SOL 2386 29.730 49.710 48.290 1.00 0.00 H +ATOM 8732 OW SOL 2387 39.090 50.500 50.390 1.00 0.00 O +ATOM 8733 HW1 SOL 2387 39.340 51.310 49.940 1.00 0.00 H +ATOM 8734 HW2 SOL 2387 38.180 50.650 50.660 1.00 0.00 H +ATOM 8735 OW SOL 2388 2.520 23.470 4.220 1.00 0.00 O +ATOM 8736 HW1 SOL 2388 2.720 23.950 5.020 1.00 0.00 H +ATOM 8737 HW2 SOL 2388 2.580 22.540 4.480 1.00 0.00 H +ATOM 8738 OW SOL 2389 11.000 5.260 28.250 1.00 0.00 O +ATOM 8739 HW1 SOL 2389 11.860 5.650 28.380 1.00 0.00 H +ATOM 8740 HW2 SOL 2389 11.160 4.310 28.310 1.00 0.00 H +ATOM 8741 OW SOL 2390 44.110 35.240 36.830 1.00 0.00 O +ATOM 8742 HW1 SOL 2390 43.910 34.400 37.240 1.00 0.00 H +ATOM 8743 HW2 SOL 2390 44.680 35.010 36.100 1.00 0.00 H +ATOM 8744 OW SOL 2391 50.350 21.880 0.440 1.00 0.00 O +ATOM 8745 HW1 SOL 2391 51.030 21.370 0.000 1.00 0.00 H +ATOM 8746 HW2 SOL 2391 49.880 22.310 -0.270 1.00 0.00 H +ATOM 8747 OW SOL 2392 52.690 49.320 6.860 1.00 0.00 O +ATOM 8748 HW1 SOL 2392 52.370 50.060 6.350 1.00 0.00 H +ATOM 8749 HW2 SOL 2392 53.640 49.350 6.740 1.00 0.00 H +ATOM 8750 OW SOL 2393 21.650 21.390 13.090 1.00 0.00 O +ATOM 8751 HW1 SOL 2393 21.030 22.070 13.350 1.00 0.00 H +ATOM 8752 HW2 SOL 2393 21.650 20.770 13.820 1.00 0.00 H +ATOM 8753 OW SOL 2394 28.170 28.970 4.840 1.00 0.00 O +ATOM 8754 HW1 SOL 2394 28.080 28.030 5.000 1.00 0.00 H +ATOM 8755 HW2 SOL 2394 28.480 29.330 5.680 1.00 0.00 H +ATOM 8756 OW SOL 2395 39.180 23.780 38.480 1.00 0.00 O +ATOM 8757 HW1 SOL 2395 39.510 24.580 38.080 1.00 0.00 H +ATOM 8758 HW2 SOL 2395 39.370 23.100 37.840 1.00 0.00 H +ATOM 8759 OW SOL 2396 31.060 42.050 8.120 1.00 0.00 O +ATOM 8760 HW1 SOL 2396 31.710 42.340 8.760 1.00 0.00 H +ATOM 8761 HW2 SOL 2396 30.840 41.160 8.400 1.00 0.00 H +ATOM 8762 OW SOL 2397 56.160 21.890 51.480 1.00 0.00 O +ATOM 8763 HW1 SOL 2397 56.020 22.430 52.260 1.00 0.00 H +ATOM 8764 HW2 SOL 2397 57.010 22.160 51.150 1.00 0.00 H +ATOM 8765 OW SOL 2398 14.400 3.460 34.380 1.00 0.00 O +ATOM 8766 HW1 SOL 2398 14.100 4.310 34.690 1.00 0.00 H +ATOM 8767 HW2 SOL 2398 15.200 3.280 34.880 1.00 0.00 H +ATOM 8768 OW SOL 2399 55.120 40.160 42.410 1.00 0.00 O +ATOM 8769 HW1 SOL 2399 55.300 40.690 43.190 1.00 0.00 H +ATOM 8770 HW2 SOL 2399 55.190 40.770 41.680 1.00 0.00 H +ATOM 8771 OW SOL 2400 23.660 56.770 12.360 1.00 0.00 O +ATOM 8772 HW1 SOL 2400 24.030 55.890 12.330 1.00 0.00 H +ATOM 8773 HW2 SOL 2400 24.070 57.170 13.130 1.00 0.00 H +ATOM 8774 OW SOL 2401 7.270 6.240 16.380 1.00 0.00 O +ATOM 8775 HW1 SOL 2401 6.940 6.940 16.940 1.00 0.00 H +ATOM 8776 HW2 SOL 2401 7.120 5.440 16.890 1.00 0.00 H +ATOM 8777 OW SOL 2402 0.270 59.840 42.430 1.00 0.00 O +ATOM 8778 HW1 SOL 2402 1.180 59.990 42.680 1.00 0.00 H +ATOM 8779 HW2 SOL 2402 0.120 60.440 41.700 1.00 0.00 H +ATOM 8780 OW SOL 2403 57.320 42.030 13.270 1.00 0.00 O +ATOM 8781 HW1 SOL 2403 57.260 42.980 13.320 1.00 0.00 H +ATOM 8782 HW2 SOL 2403 56.420 41.720 13.340 1.00 0.00 H +ATOM 8783 OW SOL 2404 30.150 40.980 0.430 1.00 0.00 O +ATOM 8784 HW1 SOL 2404 30.510 41.530 -0.260 1.00 0.00 H +ATOM 8785 HW2 SOL 2404 29.360 41.440 0.710 1.00 0.00 H +ATOM 8786 OW SOL 2405 57.700 3.620 10.810 1.00 0.00 O +ATOM 8787 HW1 SOL 2405 57.270 3.450 9.970 1.00 0.00 H +ATOM 8788 HW2 SOL 2405 58.050 2.770 11.080 1.00 0.00 H +ATOM 8789 OW SOL 2406 11.360 9.030 15.840 1.00 0.00 O +ATOM 8790 HW1 SOL 2406 11.660 8.710 16.690 1.00 0.00 H +ATOM 8791 HW2 SOL 2406 12.130 8.950 15.270 1.00 0.00 H +ATOM 8792 OW SOL 2407 7.200 13.020 41.630 1.00 0.00 O +ATOM 8793 HW1 SOL 2407 7.870 13.640 41.900 1.00 0.00 H +ATOM 8794 HW2 SOL 2407 6.420 13.280 42.120 1.00 0.00 H +ATOM 8795 OW SOL 2408 37.590 38.500 12.410 1.00 0.00 O +ATOM 8796 HW1 SOL 2408 37.880 37.820 13.010 1.00 0.00 H +ATOM 8797 HW2 SOL 2408 37.970 39.310 12.770 1.00 0.00 H +ATOM 8798 OW SOL 2409 26.970 42.060 41.910 1.00 0.00 O +ATOM 8799 HW1 SOL 2409 27.860 41.990 41.570 1.00 0.00 H +ATOM 8800 HW2 SOL 2409 27.000 41.640 42.770 1.00 0.00 H +ATOM 8801 OW SOL 2410 10.530 51.760 13.350 1.00 0.00 O +ATOM 8802 HW1 SOL 2410 10.250 51.970 14.240 1.00 0.00 H +ATOM 8803 HW2 SOL 2410 10.140 52.450 12.810 1.00 0.00 H +ATOM 8804 OW SOL 2411 3.450 9.640 41.970 1.00 0.00 O +ATOM 8805 HW1 SOL 2411 3.100 10.530 41.960 1.00 0.00 H +ATOM 8806 HW2 SOL 2411 3.520 9.400 41.050 1.00 0.00 H +ATOM 8807 OW SOL 2412 29.360 60.380 12.680 1.00 0.00 O +ATOM 8808 HW1 SOL 2412 29.170 59.840 11.910 1.00 0.00 H +ATOM 8809 HW2 SOL 2412 30.310 60.270 12.810 1.00 0.00 H +ATOM 8810 OW SOL 2413 27.000 1.600 53.450 1.00 0.00 O +ATOM 8811 HW1 SOL 2413 26.700 2.240 52.800 1.00 0.00 H +ATOM 8812 HW2 SOL 2413 27.220 0.830 52.930 1.00 0.00 H +ATOM 8813 OW SOL 2414 43.490 41.720 0.430 1.00 0.00 O +ATOM 8814 HW1 SOL 2414 43.930 40.870 0.530 1.00 0.00 H +ATOM 8815 HW2 SOL 2414 42.790 41.710 1.080 1.00 0.00 H +ATOM 8816 OW SOL 2415 11.630 10.650 31.420 1.00 0.00 O +ATOM 8817 HW1 SOL 2415 12.210 10.430 30.690 1.00 0.00 H +ATOM 8818 HW2 SOL 2415 10.750 10.640 31.040 1.00 0.00 H +ATOM 8819 OW SOL 2416 52.730 59.250 45.180 1.00 0.00 O +ATOM 8820 HW1 SOL 2416 53.300 59.660 45.840 1.00 0.00 H +ATOM 8821 HW2 SOL 2416 52.520 59.950 44.570 1.00 0.00 H +ATOM 8822 OW SOL 2417 5.300 6.510 14.270 1.00 0.00 O +ATOM 8823 HW1 SOL 2417 5.840 6.040 14.910 1.00 0.00 H +ATOM 8824 HW2 SOL 2417 5.750 7.340 14.140 1.00 0.00 H +ATOM 8825 OW SOL 2418 37.980 30.500 48.390 1.00 0.00 O +ATOM 8826 HW1 SOL 2418 37.120 30.120 48.560 1.00 0.00 H +ATOM 8827 HW2 SOL 2418 38.490 30.310 49.170 1.00 0.00 H +ATOM 8828 OW SOL 2419 57.730 30.850 43.530 1.00 0.00 O +ATOM 8829 HW1 SOL 2419 56.840 31.010 43.830 1.00 0.00 H +ATOM 8830 HW2 SOL 2419 58.210 30.600 44.320 1.00 0.00 H +ATOM 8831 OW SOL 2420 64.820 10.830 1.180 1.00 0.00 O +ATOM 8832 HW1 SOL 2420 65.410 10.270 0.690 1.00 0.00 H +ATOM 8833 HW2 SOL 2420 64.700 11.600 0.620 1.00 0.00 H +ATOM 8834 OW SOL 2421 53.830 19.230 45.520 1.00 0.00 O +ATOM 8835 HW1 SOL 2421 54.200 19.670 44.750 1.00 0.00 H +ATOM 8836 HW2 SOL 2421 54.570 19.170 46.130 1.00 0.00 H +ATOM 8837 OW SOL 2422 52.380 0.550 36.410 1.00 0.00 O +ATOM 8838 HW1 SOL 2422 52.900 1.000 35.740 1.00 0.00 H +ATOM 8839 HW2 SOL 2422 53.010 0.010 36.880 1.00 0.00 H +ATOM 8840 OW SOL 2423 26.770 42.250 52.880 1.00 0.00 O +ATOM 8841 HW1 SOL 2423 26.140 42.720 52.330 1.00 0.00 H +ATOM 8842 HW2 SOL 2423 27.310 41.760 52.260 1.00 0.00 H +ATOM 8843 OW SOL 2424 3.710 23.380 29.570 1.00 0.00 O +ATOM 8844 HW1 SOL 2424 4.530 23.410 29.070 1.00 0.00 H +ATOM 8845 HW2 SOL 2424 3.120 23.960 29.100 1.00 0.00 H +ATOM 8846 OW SOL 2425 62.860 31.540 20.550 1.00 0.00 O +ATOM 8847 HW1 SOL 2425 62.070 31.180 20.950 1.00 0.00 H +ATOM 8848 HW2 SOL 2425 63.470 31.650 21.280 1.00 0.00 H +ATOM 8849 OW SOL 2426 1.700 42.990 9.120 1.00 0.00 O +ATOM 8850 HW1 SOL 2426 1.210 43.470 8.450 1.00 0.00 H +ATOM 8851 HW2 SOL 2426 1.190 42.200 9.270 1.00 0.00 H +ATOM 8852 OW SOL 2427 45.280 12.360 5.130 1.00 0.00 O +ATOM 8853 HW1 SOL 2427 45.450 11.420 5.030 1.00 0.00 H +ATOM 8854 HW2 SOL 2427 45.110 12.670 4.240 1.00 0.00 H +ATOM 8855 OW SOL 2428 64.100 39.620 51.050 1.00 0.00 O +ATOM 8856 HW1 SOL 2428 64.900 40.080 50.790 1.00 0.00 H +ATOM 8857 HW2 SOL 2428 64.340 38.690 51.020 1.00 0.00 H +ATOM 8858 OW SOL 2429 35.530 59.440 7.890 1.00 0.00 O +ATOM 8859 HW1 SOL 2429 34.990 59.460 7.100 1.00 0.00 H +ATOM 8860 HW2 SOL 2429 36.370 59.810 7.610 1.00 0.00 H +ATOM 8861 OW SOL 2430 52.680 16.710 8.440 1.00 0.00 O +ATOM 8862 HW1 SOL 2430 51.900 17.160 8.120 1.00 0.00 H +ATOM 8863 HW2 SOL 2430 52.680 16.880 9.380 1.00 0.00 H +ATOM 8864 OW SOL 2431 26.010 4.750 52.720 1.00 0.00 O +ATOM 8865 HW1 SOL 2431 26.140 5.690 52.840 1.00 0.00 H +ATOM 8866 HW2 SOL 2431 25.190 4.680 52.240 1.00 0.00 H +ATOM 8867 OW SOL 2432 24.560 24.420 3.550 1.00 0.00 O +ATOM 8868 HW1 SOL 2432 23.670 24.110 3.700 1.00 0.00 H +ATOM 8869 HW2 SOL 2432 25.110 23.680 3.820 1.00 0.00 H +ATOM 8870 OW SOL 2433 55.030 20.040 43.380 1.00 0.00 O +ATOM 8871 HW1 SOL 2433 55.970 20.110 43.570 1.00 0.00 H +ATOM 8872 HW2 SOL 2433 54.860 20.750 42.750 1.00 0.00 H +ATOM 8873 OW SOL 2434 61.930 2.790 1.910 1.00 0.00 O +ATOM 8874 HW1 SOL 2434 62.150 2.970 1.000 1.00 0.00 H +ATOM 8875 HW2 SOL 2434 61.320 2.050 1.870 1.00 0.00 H +ATOM 8876 OW SOL 2435 20.970 10.470 4.440 1.00 0.00 O +ATOM 8877 HW1 SOL 2435 20.620 9.800 3.850 1.00 0.00 H +ATOM 8878 HW2 SOL 2435 20.900 10.070 5.310 1.00 0.00 H +ATOM 8879 OW SOL 2436 10.110 34.770 40.330 1.00 0.00 O +ATOM 8880 HW1 SOL 2436 10.550 35.610 40.210 1.00 0.00 H +ATOM 8881 HW2 SOL 2436 9.320 34.990 40.820 1.00 0.00 H +ATOM 8882 OW SOL 2437 58.800 18.630 9.280 1.00 0.00 O +ATOM 8883 HW1 SOL 2437 59.410 18.510 10.010 1.00 0.00 H +ATOM 8884 HW2 SOL 2437 59.230 18.210 8.530 1.00 0.00 H +ATOM 8885 OW SOL 2438 29.650 56.890 10.080 1.00 0.00 O +ATOM 8886 HW1 SOL 2438 28.840 57.350 10.300 1.00 0.00 H +ATOM 8887 HW2 SOL 2438 29.600 56.760 9.130 1.00 0.00 H +ATOM 8888 OW SOL 2439 51.220 35.470 37.760 1.00 0.00 O +ATOM 8889 HW1 SOL 2439 50.630 35.200 38.470 1.00 0.00 H +ATOM 8890 HW2 SOL 2439 51.540 36.330 38.030 1.00 0.00 H +ATOM 8891 OW SOL 2440 54.800 55.470 46.510 1.00 0.00 O +ATOM 8892 HW1 SOL 2440 54.240 54.700 46.500 1.00 0.00 H +ATOM 8893 HW2 SOL 2440 55.590 55.190 46.980 1.00 0.00 H +ATOM 8894 OW SOL 2441 17.360 16.950 26.290 1.00 0.00 O +ATOM 8895 HW1 SOL 2441 17.370 17.830 25.920 1.00 0.00 H +ATOM 8896 HW2 SOL 2441 16.580 16.540 25.920 1.00 0.00 H +ATOM 8897 OW SOL 2442 0.050 9.050 41.010 1.00 0.00 O +ATOM 8898 HW1 SOL 2442 0.800 9.330 40.490 1.00 0.00 H +ATOM 8899 HW2 SOL 2442 -0.560 8.670 40.370 1.00 0.00 H +ATOM 8900 OW SOL 2443 37.500 11.440 6.820 1.00 0.00 O +ATOM 8901 HW1 SOL 2443 38.040 11.160 7.560 1.00 0.00 H +ATOM 8902 HW2 SOL 2443 36.620 11.130 7.030 1.00 0.00 H +ATOM 8903 OW SOL 2444 24.260 54.750 50.870 1.00 0.00 O +ATOM 8904 HW1 SOL 2444 23.450 54.600 50.390 1.00 0.00 H +ATOM 8905 HW2 SOL 2444 24.010 54.690 51.790 1.00 0.00 H +ATOM 8906 OW SOL 2445 60.800 24.140 5.540 1.00 0.00 O +ATOM 8907 HW1 SOL 2445 60.190 24.010 4.820 1.00 0.00 H +ATOM 8908 HW2 SOL 2445 60.970 25.090 5.540 1.00 0.00 H +ATOM 8909 OW SOL 2446 24.950 19.870 43.300 1.00 0.00 O +ATOM 8910 HW1 SOL 2446 24.640 19.000 43.590 1.00 0.00 H +ATOM 8911 HW2 SOL 2446 25.150 19.760 42.370 1.00 0.00 H +ATOM 8912 OW SOL 2447 49.430 2.740 18.610 1.00 0.00 O +ATOM 8913 HW1 SOL 2447 49.930 3.530 18.430 1.00 0.00 H +ATOM 8914 HW2 SOL 2447 48.520 3.010 18.540 1.00 0.00 H +ATOM 8915 OW SOL 2448 20.120 11.390 15.210 1.00 0.00 O +ATOM 8916 HW1 SOL 2448 20.010 12.340 15.110 1.00 0.00 H +ATOM 8917 HW2 SOL 2448 19.340 11.020 14.790 1.00 0.00 H +ATOM 8918 OW SOL 2449 54.580 14.470 51.540 1.00 0.00 O +ATOM 8919 HW1 SOL 2449 53.810 14.310 52.090 1.00 0.00 H +ATOM 8920 HW2 SOL 2449 54.310 14.190 50.670 1.00 0.00 H +ATOM 8921 OW SOL 2450 14.810 13.740 12.930 1.00 0.00 O +ATOM 8922 HW1 SOL 2450 14.040 14.280 13.110 1.00 0.00 H +ATOM 8923 HW2 SOL 2450 14.920 13.780 11.980 1.00 0.00 H +ATOM 8924 OW SOL 2451 41.170 17.240 47.300 1.00 0.00 O +ATOM 8925 HW1 SOL 2451 41.480 17.870 46.650 1.00 0.00 H +ATOM 8926 HW2 SOL 2451 40.230 17.180 47.140 1.00 0.00 H +ATOM 8927 OW SOL 2452 48.890 39.850 37.700 1.00 0.00 O +ATOM 8928 HW1 SOL 2452 47.980 40.140 37.760 1.00 0.00 H +ATOM 8929 HW2 SOL 2452 49.040 39.350 38.510 1.00 0.00 H +ATOM 8930 OW SOL 2453 41.930 60.750 48.340 1.00 0.00 O +ATOM 8931 HW1 SOL 2453 42.480 59.970 48.420 1.00 0.00 H +ATOM 8932 HW2 SOL 2453 42.190 61.140 47.500 1.00 0.00 H +ATOM 8933 OW SOL 2454 20.430 34.770 43.570 1.00 0.00 O +ATOM 8934 HW1 SOL 2454 20.250 35.280 44.360 1.00 0.00 H +ATOM 8935 HW2 SOL 2454 19.810 34.040 43.620 1.00 0.00 H +ATOM 8936 OW SOL 2455 39.850 11.560 27.060 1.00 0.00 O +ATOM 8937 HW1 SOL 2455 40.780 11.420 26.890 1.00 0.00 H +ATOM 8938 HW2 SOL 2455 39.810 12.390 27.530 1.00 0.00 H +ATOM 8939 OW SOL 2456 29.270 18.760 35.780 1.00 0.00 O +ATOM 8940 HW1 SOL 2456 29.560 18.270 36.560 1.00 0.00 H +ATOM 8941 HW2 SOL 2456 30.080 18.930 35.290 1.00 0.00 H +ATOM 8942 OW SOL 2457 59.220 47.770 51.900 1.00 0.00 O +ATOM 8943 HW1 SOL 2457 58.610 47.200 52.380 1.00 0.00 H +ATOM 8944 HW2 SOL 2457 58.930 48.660 52.110 1.00 0.00 H +ATOM 8945 OW SOL 2458 24.960 34.830 1.230 1.00 0.00 O +ATOM 8946 HW1 SOL 2458 25.380 34.000 1.460 1.00 0.00 H +ATOM 8947 HW2 SOL 2458 25.320 35.460 1.870 1.00 0.00 H +ATOM 8948 OW SOL 2459 50.730 46.770 3.170 1.00 0.00 O +ATOM 8949 HW1 SOL 2459 51.200 46.050 2.750 1.00 0.00 H +ATOM 8950 HW2 SOL 2459 50.400 47.300 2.440 1.00 0.00 H +ATOM 8951 OW SOL 2460 32.900 35.820 17.850 1.00 0.00 O +ATOM 8952 HW1 SOL 2460 32.320 36.560 17.990 1.00 0.00 H +ATOM 8953 HW2 SOL 2460 32.520 35.350 17.110 1.00 0.00 H +ATOM 8954 OW SOL 2461 0.890 60.610 7.070 1.00 0.00 O +ATOM 8955 HW1 SOL 2461 0.790 60.890 7.980 1.00 0.00 H +ATOM 8956 HW2 SOL 2461 0.740 59.660 7.090 1.00 0.00 H +ATOM 8957 OW SOL 2462 37.530 17.420 25.180 1.00 0.00 O +ATOM 8958 HW1 SOL 2462 37.780 16.680 25.730 1.00 0.00 H +ATOM 8959 HW2 SOL 2462 37.680 17.110 24.280 1.00 0.00 H +ATOM 8960 OW SOL 2463 55.620 14.370 31.510 1.00 0.00 O +ATOM 8961 HW1 SOL 2463 55.530 14.350 32.460 1.00 0.00 H +ATOM 8962 HW2 SOL 2463 55.020 13.690 31.200 1.00 0.00 H +ATOM 8963 OW SOL 2464 27.070 18.590 16.140 1.00 0.00 O +ATOM 8964 HW1 SOL 2464 27.890 19.010 15.910 1.00 0.00 H +ATOM 8965 HW2 SOL 2464 26.680 19.170 16.810 1.00 0.00 H +ATOM 8966 OW SOL 2465 4.010 61.530 44.490 1.00 0.00 O +ATOM 8967 HW1 SOL 2465 4.900 61.550 44.140 1.00 0.00 H +ATOM 8968 HW2 SOL 2465 3.750 60.620 44.420 1.00 0.00 H +ATOM 8969 OW SOL 2466 10.460 30.950 43.700 1.00 0.00 O +ATOM 8970 HW1 SOL 2466 11.360 30.960 43.370 1.00 0.00 H +ATOM 8971 HW2 SOL 2466 10.120 31.810 43.460 1.00 0.00 H +ATOM 8972 OW SOL 2467 1.760 17.230 47.830 1.00 0.00 O +ATOM 8973 HW1 SOL 2467 0.920 17.470 47.450 1.00 0.00 H +ATOM 8974 HW2 SOL 2467 1.570 17.130 48.770 1.00 0.00 H +ATOM 8975 OW SOL 2468 9.520 60.810 19.320 1.00 0.00 O +ATOM 8976 HW1 SOL 2468 9.930 61.110 18.510 1.00 0.00 H +ATOM 8977 HW2 SOL 2468 8.990 61.550 19.600 1.00 0.00 H +ATOM 8978 OW SOL 2469 62.350 25.660 33.160 1.00 0.00 O +ATOM 8979 HW1 SOL 2469 62.710 25.850 32.290 1.00 0.00 H +ATOM 8980 HW2 SOL 2469 61.470 26.040 33.140 1.00 0.00 H +ATOM 8981 OW SOL 2470 27.910 36.290 2.040 1.00 0.00 O +ATOM 8982 HW1 SOL 2470 28.520 36.800 2.570 1.00 0.00 H +ATOM 8983 HW2 SOL 2470 27.540 36.920 1.430 1.00 0.00 H +ATOM 8984 OW SOL 2471 6.740 34.400 47.690 1.00 0.00 O +ATOM 8985 HW1 SOL 2471 6.780 34.950 46.910 1.00 0.00 H +ATOM 8986 HW2 SOL 2471 6.620 33.510 47.350 1.00 0.00 H +ATOM 8987 OW SOL 2472 46.770 20.440 26.990 1.00 0.00 O +ATOM 8988 HW1 SOL 2472 46.450 20.570 27.880 1.00 0.00 H +ATOM 8989 HW2 SOL 2472 46.130 19.840 26.600 1.00 0.00 H +ATOM 8990 OW SOL 2473 38.090 46.060 53.600 1.00 0.00 O +ATOM 8991 HW1 SOL 2473 37.770 46.060 52.700 1.00 0.00 H +ATOM 8992 HW2 SOL 2473 37.890 46.930 53.930 1.00 0.00 H +ATOM 8993 OW SOL 2474 52.630 7.860 13.100 1.00 0.00 O +ATOM 8994 HW1 SOL 2474 52.510 6.990 13.470 1.00 0.00 H +ATOM 8995 HW2 SOL 2474 51.940 7.940 12.440 1.00 0.00 H +ATOM 8996 OW SOL 2475 6.630 19.900 17.220 1.00 0.00 O +ATOM 8997 HW1 SOL 2475 7.080 19.110 17.510 1.00 0.00 H +ATOM 8998 HW2 SOL 2475 6.940 20.040 16.330 1.00 0.00 H +ATOM 8999 OW SOL 2476 20.580 39.960 8.630 1.00 0.00 O +ATOM 9000 HW1 SOL 2476 20.520 40.800 8.190 1.00 0.00 H +ATOM 9001 HW2 SOL 2476 20.020 39.380 8.120 1.00 0.00 H +ATOM 9002 OW SOL 2477 11.500 17.870 27.980 1.00 0.00 O +ATOM 9003 HW1 SOL 2477 10.600 18.070 28.230 1.00 0.00 H +ATOM 9004 HW2 SOL 2477 11.450 16.990 27.590 1.00 0.00 H +ATOM 9005 OW SOL 2478 0.650 19.980 10.920 1.00 0.00 O +ATOM 9006 HW1 SOL 2478 -0.030 19.410 10.570 1.00 0.00 H +ATOM 9007 HW2 SOL 2478 1.310 20.030 10.220 1.00 0.00 H +ATOM 9008 OW SOL 2479 40.270 50.860 11.700 1.00 0.00 O +ATOM 9009 HW1 SOL 2479 40.590 51.180 12.540 1.00 0.00 H +ATOM 9010 HW2 SOL 2479 39.380 50.550 11.880 1.00 0.00 H +ATOM 9011 OW SOL 2480 43.400 18.020 19.490 1.00 0.00 O +ATOM 9012 HW1 SOL 2480 43.570 18.300 18.600 1.00 0.00 H +ATOM 9013 HW2 SOL 2480 43.260 18.830 19.980 1.00 0.00 H +ATOM 9014 OW SOL 2481 8.440 13.870 34.750 1.00 0.00 O +ATOM 9015 HW1 SOL 2481 9.320 13.680 35.080 1.00 0.00 H +ATOM 9016 HW2 SOL 2481 7.880 13.840 35.530 1.00 0.00 H +ATOM 9017 OW SOL 2482 55.650 22.120 38.460 1.00 0.00 O +ATOM 9018 HW1 SOL 2482 55.530 21.510 37.730 1.00 0.00 H +ATOM 9019 HW2 SOL 2482 56.400 22.660 38.200 1.00 0.00 H +ATOM 9020 OW SOL 2483 3.140 45.840 48.680 1.00 0.00 O +ATOM 9021 HW1 SOL 2483 3.180 45.000 48.210 1.00 0.00 H +ATOM 9022 HW2 SOL 2483 3.840 46.360 48.300 1.00 0.00 H +ATOM 9023 OW SOL 2484 10.160 3.440 10.560 1.00 0.00 O +ATOM 9024 HW1 SOL 2484 9.830 3.610 9.680 1.00 0.00 H +ATOM 9025 HW2 SOL 2484 9.840 2.560 10.770 1.00 0.00 H +ATOM 9026 OW SOL 2485 54.540 9.280 49.830 1.00 0.00 O +ATOM 9027 HW1 SOL 2485 55.100 9.910 49.380 1.00 0.00 H +ATOM 9028 HW2 SOL 2485 55.090 8.900 50.510 1.00 0.00 H +ATOM 9029 OW SOL 2486 36.470 8.980 15.240 1.00 0.00 O +ATOM 9030 HW1 SOL 2486 37.310 8.730 15.630 1.00 0.00 H +ATOM 9031 HW2 SOL 2486 36.680 9.190 14.340 1.00 0.00 H +ATOM 9032 OW SOL 2487 6.150 37.360 4.180 1.00 0.00 O +ATOM 9033 HW1 SOL 2487 6.970 36.890 4.040 1.00 0.00 H +ATOM 9034 HW2 SOL 2487 5.530 36.680 4.450 1.00 0.00 H +ATOM 9035 OW SOL 2488 48.270 25.750 40.270 1.00 0.00 O +ATOM 9036 HW1 SOL 2488 48.620 26.630 40.330 1.00 0.00 H +ATOM 9037 HW2 SOL 2488 48.220 25.570 39.330 1.00 0.00 H +ATOM 9038 OW SOL 2489 61.420 46.420 52.910 1.00 0.00 O +ATOM 9039 HW1 SOL 2489 60.820 47.040 52.500 1.00 0.00 H +ATOM 9040 HW2 SOL 2489 62.290 46.730 52.660 1.00 0.00 H +ATOM 9041 OW SOL 2490 38.920 40.390 49.730 1.00 0.00 O +ATOM 9042 HW1 SOL 2490 38.100 40.050 50.100 1.00 0.00 H +ATOM 9043 HW2 SOL 2490 38.770 41.330 49.640 1.00 0.00 H +ATOM 9044 OW SOL 2491 47.310 23.120 16.630 1.00 0.00 O +ATOM 9045 HW1 SOL 2491 47.500 22.350 17.170 1.00 0.00 H +ATOM 9046 HW2 SOL 2491 47.390 22.800 15.730 1.00 0.00 H +ATOM 9047 OW SOL 2492 61.690 58.130 23.140 1.00 0.00 O +ATOM 9048 HW1 SOL 2492 62.350 57.750 23.730 1.00 0.00 H +ATOM 9049 HW2 SOL 2492 61.570 57.460 22.470 1.00 0.00 H +ATOM 9050 OW SOL 2493 52.510 40.720 7.970 1.00 0.00 O +ATOM 9051 HW1 SOL 2493 51.980 41.460 8.290 1.00 0.00 H +ATOM 9052 HW2 SOL 2493 52.870 40.320 8.760 1.00 0.00 H +ATOM 9053 OW SOL 2494 61.560 11.130 38.840 1.00 0.00 O +ATOM 9054 HW1 SOL 2494 61.640 11.920 38.320 1.00 0.00 H +ATOM 9055 HW2 SOL 2494 60.870 10.630 38.410 1.00 0.00 H +ATOM 9056 OW SOL 2495 14.780 8.670 25.320 1.00 0.00 O +ATOM 9057 HW1 SOL 2495 14.850 9.550 24.930 1.00 0.00 H +ATOM 9058 HW2 SOL 2495 13.910 8.370 25.070 1.00 0.00 H +ATOM 9059 OW SOL 2496 2.300 15.010 13.440 1.00 0.00 O +ATOM 9060 HW1 SOL 2496 1.490 14.830 13.920 1.00 0.00 H +ATOM 9061 HW2 SOL 2496 2.100 14.750 12.540 1.00 0.00 H +ATOM 9062 OW SOL 2497 19.000 56.400 33.020 1.00 0.00 O +ATOM 9063 HW1 SOL 2497 19.280 55.640 32.510 1.00 0.00 H +ATOM 9064 HW2 SOL 2497 19.760 56.970 33.040 1.00 0.00 H +ATOM 9065 OW SOL 2498 21.480 30.110 0.890 1.00 0.00 O +ATOM 9066 HW1 SOL 2498 20.870 30.250 0.170 1.00 0.00 H +ATOM 9067 HW2 SOL 2498 22.040 30.890 0.890 1.00 0.00 H +ATOM 9068 OW SOL 2499 5.130 34.890 33.900 1.00 0.00 O +ATOM 9069 HW1 SOL 2499 5.470 35.720 34.240 1.00 0.00 H +ATOM 9070 HW2 SOL 2499 4.820 35.100 33.020 1.00 0.00 H +ATOM 9071 OW SOL 2500 60.410 3.110 8.700 1.00 0.00 O +ATOM 9072 HW1 SOL 2500 60.380 4.050 8.910 1.00 0.00 H +ATOM 9073 HW2 SOL 2500 61.350 2.930 8.590 1.00 0.00 H +ATOM 9074 OW SOL 2501 26.390 38.280 15.650 1.00 0.00 O +ATOM 9075 HW1 SOL 2501 25.570 38.000 15.250 1.00 0.00 H +ATOM 9076 HW2 SOL 2501 26.170 39.060 16.160 1.00 0.00 H +ATOM 9077 OW SOL 2502 62.970 53.900 2.310 1.00 0.00 O +ATOM 9078 HW1 SOL 2502 63.070 54.530 3.020 1.00 0.00 H +ATOM 9079 HW2 SOL 2502 62.300 54.280 1.740 1.00 0.00 H +ATOM 9080 OW SOL 2503 39.350 16.530 50.170 1.00 0.00 O +ATOM 9081 HW1 SOL 2503 38.900 16.810 49.370 1.00 0.00 H +ATOM 9082 HW2 SOL 2503 40.280 16.660 49.980 1.00 0.00 H +ATOM 9083 OW SOL 2504 39.850 12.970 5.480 1.00 0.00 O +ATOM 9084 HW1 SOL 2504 39.850 12.500 6.310 1.00 0.00 H +ATOM 9085 HW2 SOL 2504 38.920 13.020 5.230 1.00 0.00 H +ATOM 9086 OW SOL 2505 60.490 51.840 30.730 1.00 0.00 O +ATOM 9087 HW1 SOL 2505 59.700 51.360 30.460 1.00 0.00 H +ATOM 9088 HW2 SOL 2505 60.260 52.210 31.590 1.00 0.00 H +ATOM 9089 OW SOL 2506 55.940 36.220 36.210 1.00 0.00 O +ATOM 9090 HW1 SOL 2506 56.730 35.670 36.220 1.00 0.00 H +ATOM 9091 HW2 SOL 2506 56.220 37.030 35.780 1.00 0.00 H +ATOM 9092 OW SOL 2507 22.330 0.710 4.090 1.00 0.00 O +ATOM 9093 HW1 SOL 2507 22.310 0.690 3.130 1.00 0.00 H +ATOM 9094 HW2 SOL 2507 21.430 0.920 4.340 1.00 0.00 H +ATOM 9095 OW SOL 2508 58.380 10.720 19.730 1.00 0.00 O +ATOM 9096 HW1 SOL 2508 59.250 10.720 19.320 1.00 0.00 H +ATOM 9097 HW2 SOL 2508 58.220 9.800 19.940 1.00 0.00 H +ATOM 9098 OW SOL 2509 59.970 8.590 2.470 1.00 0.00 O +ATOM 9099 HW1 SOL 2509 59.560 7.790 2.130 1.00 0.00 H +ATOM 9100 HW2 SOL 2509 60.670 8.770 1.850 1.00 0.00 H +ATOM 9101 OW SOL 2510 8.910 10.430 15.310 1.00 0.00 O +ATOM 9102 HW1 SOL 2510 9.470 9.770 15.720 1.00 0.00 H +ATOM 9103 HW2 SOL 2510 8.990 11.190 15.880 1.00 0.00 H +ATOM 9104 OW SOL 2511 22.680 32.330 10.490 1.00 0.00 O +ATOM 9105 HW1 SOL 2511 22.950 33.070 9.950 1.00 0.00 H +ATOM 9106 HW2 SOL 2511 23.460 31.800 10.590 1.00 0.00 H +ATOM 9107 OW SOL 2512 18.520 28.580 32.580 1.00 0.00 O +ATOM 9108 HW1 SOL 2512 18.310 29.000 33.410 1.00 0.00 H +ATOM 9109 HW2 SOL 2512 18.240 29.210 31.920 1.00 0.00 H +ATOM 9110 OW SOL 2513 59.510 40.920 23.460 1.00 0.00 O +ATOM 9111 HW1 SOL 2513 59.920 41.050 22.610 1.00 0.00 H +ATOM 9112 HW2 SOL 2513 60.230 40.960 24.090 1.00 0.00 H +ATOM 9113 OW SOL 2514 48.620 56.740 34.090 1.00 0.00 O +ATOM 9114 HW1 SOL 2514 47.700 56.870 33.860 1.00 0.00 H +ATOM 9115 HW2 SOL 2514 48.650 55.850 34.450 1.00 0.00 H +ATOM 9116 OW SOL 2515 11.720 58.030 48.390 1.00 0.00 O +ATOM 9117 HW1 SOL 2515 10.870 58.090 47.960 1.00 0.00 H +ATOM 9118 HW2 SOL 2515 11.690 57.200 48.870 1.00 0.00 H +ATOM 9119 OW SOL 2516 28.440 18.840 47.780 1.00 0.00 O +ATOM 9120 HW1 SOL 2516 28.000 19.690 47.690 1.00 0.00 H +ATOM 9121 HW2 SOL 2516 27.720 18.210 47.810 1.00 0.00 H +ATOM 9122 OW SOL 2517 13.040 13.040 29.340 1.00 0.00 O +ATOM 9123 HW1 SOL 2517 13.850 13.390 28.990 1.00 0.00 H +ATOM 9124 HW2 SOL 2517 13.290 12.210 29.750 1.00 0.00 H +ATOM 9125 OW SOL 2518 52.740 40.580 4.370 1.00 0.00 O +ATOM 9126 HW1 SOL 2518 53.500 40.230 3.900 1.00 0.00 H +ATOM 9127 HW2 SOL 2518 52.160 39.820 4.480 1.00 0.00 H +ATOM 9128 OW SOL 2519 42.840 13.650 32.480 1.00 0.00 O +ATOM 9129 HW1 SOL 2519 43.430 14.020 33.140 1.00 0.00 H +ATOM 9130 HW2 SOL 2519 43.430 13.280 31.810 1.00 0.00 H +ATOM 9131 OW SOL 2520 42.120 46.900 49.540 1.00 0.00 O +ATOM 9132 HW1 SOL 2520 41.820 46.750 50.440 1.00 0.00 H +ATOM 9133 HW2 SOL 2520 43.030 46.600 49.530 1.00 0.00 H +ATOM 9134 OW SOL 2521 24.960 40.440 19.210 1.00 0.00 O +ATOM 9135 HW1 SOL 2521 25.470 40.480 18.410 1.00 0.00 H +ATOM 9136 HW2 SOL 2521 25.520 40.830 19.880 1.00 0.00 H +ATOM 9137 OW SOL 2522 57.050 28.280 11.080 1.00 0.00 O +ATOM 9138 HW1 SOL 2522 57.490 28.330 10.240 1.00 0.00 H +ATOM 9139 HW2 SOL 2522 57.100 27.350 11.330 1.00 0.00 H +ATOM 9140 OW SOL 2523 4.400 5.080 10.930 1.00 0.00 O +ATOM 9141 HW1 SOL 2523 5.290 5.270 11.230 1.00 0.00 H +ATOM 9142 HW2 SOL 2523 3.970 4.720 11.700 1.00 0.00 H +ATOM 9143 OW SOL 2524 23.310 15.570 37.530 1.00 0.00 O +ATOM 9144 HW1 SOL 2524 23.730 16.050 36.810 1.00 0.00 H +ATOM 9145 HW2 SOL 2524 22.420 15.910 37.560 1.00 0.00 H +ATOM 9146 OW SOL 2525 18.940 14.200 20.720 1.00 0.00 O +ATOM 9147 HW1 SOL 2525 18.230 13.670 20.350 1.00 0.00 H +ATOM 9148 HW2 SOL 2525 19.000 14.960 20.150 1.00 0.00 H +ATOM 9149 OW SOL 2526 1.780 32.710 33.740 1.00 0.00 O +ATOM 9150 HW1 SOL 2526 2.410 32.560 34.450 1.00 0.00 H +ATOM 9151 HW2 SOL 2526 1.320 31.880 33.650 1.00 0.00 H +ATOM 9152 OW SOL 2527 17.240 38.730 13.030 1.00 0.00 O +ATOM 9153 HW1 SOL 2527 17.020 37.820 13.220 1.00 0.00 H +ATOM 9154 HW2 SOL 2527 16.390 39.160 12.880 1.00 0.00 H +ATOM 9155 OW SOL 2528 25.770 21.150 8.350 1.00 0.00 O +ATOM 9156 HW1 SOL 2528 25.590 20.680 9.170 1.00 0.00 H +ATOM 9157 HW2 SOL 2528 26.520 21.710 8.560 1.00 0.00 H +ATOM 9158 OW SOL 2529 2.650 19.310 31.020 1.00 0.00 O +ATOM 9159 HW1 SOL 2529 3.410 18.890 31.410 1.00 0.00 H +ATOM 9160 HW2 SOL 2529 1.950 18.660 31.100 1.00 0.00 H +ATOM 9161 OW SOL 2530 20.200 25.300 53.040 1.00 0.00 O +ATOM 9162 HW1 SOL 2530 20.710 25.460 52.250 1.00 0.00 H +ATOM 9163 HW2 SOL 2530 20.630 24.540 53.450 1.00 0.00 H +ATOM 9164 OW SOL 2531 28.940 17.280 18.250 1.00 0.00 O +ATOM 9165 HW1 SOL 2531 28.500 17.460 19.090 1.00 0.00 H +ATOM 9166 HW2 SOL 2531 28.610 17.950 17.660 1.00 0.00 H +ATOM 9167 OW SOL 2532 34.170 59.590 5.350 1.00 0.00 O +ATOM 9168 HW1 SOL 2532 34.750 59.610 4.590 1.00 0.00 H +ATOM 9169 HW2 SOL 2532 33.610 58.820 5.200 1.00 0.00 H +ATOM 9170 OW SOL 2533 35.610 7.340 11.590 1.00 0.00 O +ATOM 9171 HW1 SOL 2533 35.660 8.240 11.910 1.00 0.00 H +ATOM 9172 HW2 SOL 2533 35.530 6.810 12.380 1.00 0.00 H +ATOM 9173 OW SOL 2534 63.470 55.990 3.890 1.00 0.00 O +ATOM 9174 HW1 SOL 2534 63.410 56.810 3.400 1.00 0.00 H +ATOM 9175 HW2 SOL 2534 63.590 56.260 4.800 1.00 0.00 H +ATOM 9176 OW SOL 2535 39.620 57.430 25.440 1.00 0.00 O +ATOM 9177 HW1 SOL 2535 38.820 57.770 25.850 1.00 0.00 H +ATOM 9178 HW2 SOL 2535 40.330 57.840 25.940 1.00 0.00 H +ATOM 9179 OW SOL 2536 49.900 52.970 16.480 1.00 0.00 O +ATOM 9180 HW1 SOL 2536 50.410 52.810 15.690 1.00 0.00 H +ATOM 9181 HW2 SOL 2536 49.000 52.750 16.230 1.00 0.00 H +ATOM 9182 OW SOL 2537 45.210 39.720 17.370 1.00 0.00 O +ATOM 9183 HW1 SOL 2537 46.000 39.190 17.380 1.00 0.00 H +ATOM 9184 HW2 SOL 2537 44.640 39.320 18.030 1.00 0.00 H +ATOM 9185 OW SOL 2538 17.260 11.200 50.960 1.00 0.00 O +ATOM 9186 HW1 SOL 2538 17.850 11.210 50.210 1.00 0.00 H +ATOM 9187 HW2 SOL 2538 17.340 12.070 51.340 1.00 0.00 H +ATOM 9188 OW SOL 2539 22.190 11.190 2.140 1.00 0.00 O +ATOM 9189 HW1 SOL 2539 21.750 11.050 2.980 1.00 0.00 H +ATOM 9190 HW2 SOL 2539 21.540 11.640 1.600 1.00 0.00 H +ATOM 9191 OW SOL 2540 61.300 46.120 21.630 1.00 0.00 O +ATOM 9192 HW1 SOL 2540 60.410 45.890 21.890 1.00 0.00 H +ATOM 9193 HW2 SOL 2540 61.450 46.990 22.000 1.00 0.00 H +ATOM 9194 OW SOL 2541 65.510 28.570 23.950 1.00 0.00 O +ATOM 9195 HW1 SOL 2541 65.600 28.650 24.890 1.00 0.00 H +ATOM 9196 HW2 SOL 2541 64.620 28.870 23.770 1.00 0.00 H +ATOM 9197 OW SOL 2542 64.180 57.200 50.760 1.00 0.00 O +ATOM 9198 HW1 SOL 2542 64.990 57.190 51.270 1.00 0.00 H +ATOM 9199 HW2 SOL 2542 63.510 57.480 51.390 1.00 0.00 H +ATOM 9200 OW SOL 2543 6.430 20.080 27.870 1.00 0.00 O +ATOM 9201 HW1 SOL 2543 5.550 19.780 28.130 1.00 0.00 H +ATOM 9202 HW2 SOL 2543 6.300 20.460 27.000 1.00 0.00 H +ATOM 9203 OW SOL 2544 25.670 48.330 10.450 1.00 0.00 O +ATOM 9204 HW1 SOL 2544 25.430 49.050 9.880 1.00 0.00 H +ATOM 9205 HW2 SOL 2544 24.830 47.940 10.710 1.00 0.00 H +ATOM 9206 OW SOL 2545 34.590 24.260 53.330 1.00 0.00 O +ATOM 9207 HW1 SOL 2545 34.820 23.840 52.500 1.00 0.00 H +ATOM 9208 HW2 SOL 2545 34.410 23.540 53.930 1.00 0.00 H +ATOM 9209 OW SOL 2546 46.470 27.230 28.030 1.00 0.00 O +ATOM 9210 HW1 SOL 2546 45.750 26.670 27.750 1.00 0.00 H +ATOM 9211 HW2 SOL 2546 46.340 28.050 27.550 1.00 0.00 H +ATOM 9212 OW SOL 2547 65.150 61.240 33.330 1.00 0.00 O +ATOM 9213 HW1 SOL 2547 64.700 61.950 32.870 1.00 0.00 H +ATOM 9214 HW2 SOL 2547 65.540 60.710 32.640 1.00 0.00 H +ATOM 9215 OW SOL 2548 42.510 34.440 17.480 1.00 0.00 O +ATOM 9216 HW1 SOL 2548 42.540 34.350 16.520 1.00 0.00 H +ATOM 9217 HW2 SOL 2548 42.140 35.310 17.620 1.00 0.00 H +ATOM 9218 OW SOL 2549 45.240 48.440 42.260 1.00 0.00 O +ATOM 9219 HW1 SOL 2549 44.710 48.770 41.540 1.00 0.00 H +ATOM 9220 HW2 SOL 2549 45.080 49.050 42.980 1.00 0.00 H +ATOM 9221 OW SOL 2550 27.330 45.790 11.850 1.00 0.00 O +ATOM 9222 HW1 SOL 2550 27.480 46.230 12.690 1.00 0.00 H +ATOM 9223 HW2 SOL 2550 26.380 45.810 11.740 1.00 0.00 H +ATOM 9224 OW SOL 2551 54.600 55.110 12.200 1.00 0.00 O +ATOM 9225 HW1 SOL 2551 53.900 55.230 12.840 1.00 0.00 H +ATOM 9226 HW2 SOL 2551 54.420 55.760 11.520 1.00 0.00 H +ATOM 9227 OW SOL 2552 45.870 23.370 24.340 1.00 0.00 O +ATOM 9228 HW1 SOL 2552 46.760 23.050 24.180 1.00 0.00 H +ATOM 9229 HW2 SOL 2552 45.330 22.910 23.690 1.00 0.00 H +ATOM 9230 OW SOL 2553 13.960 38.280 11.040 1.00 0.00 O +ATOM 9231 HW1 SOL 2553 14.730 37.760 11.240 1.00 0.00 H +ATOM 9232 HW2 SOL 2553 13.220 37.710 11.270 1.00 0.00 H +ATOM 9233 OW SOL 2554 16.120 21.810 10.820 1.00 0.00 O +ATOM 9234 HW1 SOL 2554 15.700 21.270 10.150 1.00 0.00 H +ATOM 9235 HW2 SOL 2554 15.390 22.260 11.250 1.00 0.00 H +ATOM 9236 OW SOL 2555 52.880 28.480 14.210 1.00 0.00 O +ATOM 9237 HW1 SOL 2555 52.520 29.300 14.540 1.00 0.00 H +ATOM 9238 HW2 SOL 2555 52.570 28.440 13.300 1.00 0.00 H +ATOM 9239 OW SOL 2556 5.280 34.630 20.620 1.00 0.00 O +ATOM 9240 HW1 SOL 2556 5.510 34.760 19.700 1.00 0.00 H +ATOM 9241 HW2 SOL 2556 4.910 35.460 20.900 1.00 0.00 H +ATOM 9242 OW SOL 2557 27.680 23.360 16.160 1.00 0.00 O +ATOM 9243 HW1 SOL 2557 28.550 22.980 16.310 1.00 0.00 H +ATOM 9244 HW2 SOL 2557 27.270 23.350 17.030 1.00 0.00 H +ATOM 9245 OW SOL 2558 12.400 46.720 44.530 1.00 0.00 O +ATOM 9246 HW1 SOL 2558 11.900 46.610 45.340 1.00 0.00 H +ATOM 9247 HW2 SOL 2558 13.200 46.210 44.670 1.00 0.00 H +ATOM 9248 OW SOL 2559 9.770 55.900 39.980 1.00 0.00 O +ATOM 9249 HW1 SOL 2559 9.170 55.170 40.110 1.00 0.00 H +ATOM 9250 HW2 SOL 2559 9.940 55.910 39.040 1.00 0.00 H +ATOM 9251 OW SOL 2560 31.530 19.210 34.490 1.00 0.00 O +ATOM 9252 HW1 SOL 2560 32.060 19.090 35.270 1.00 0.00 H +ATOM 9253 HW2 SOL 2560 31.760 20.090 34.190 1.00 0.00 H +ATOM 9254 OW SOL 2561 26.340 55.630 14.230 1.00 0.00 O +ATOM 9255 HW1 SOL 2561 26.060 55.050 13.520 1.00 0.00 H +ATOM 9256 HW2 SOL 2561 26.190 55.120 15.030 1.00 0.00 H +ATOM 9257 OW SOL 2562 10.890 46.520 16.820 1.00 0.00 O +ATOM 9258 HW1 SOL 2562 10.470 47.090 16.170 1.00 0.00 H +ATOM 9259 HW2 SOL 2562 10.560 46.830 17.660 1.00 0.00 H +ATOM 9260 OW SOL 2563 3.290 59.860 21.070 1.00 0.00 O +ATOM 9261 HW1 SOL 2563 4.210 59.910 21.330 1.00 0.00 H +ATOM 9262 HW2 SOL 2563 3.030 58.970 21.320 1.00 0.00 H +ATOM 9263 OW SOL 2564 3.290 46.440 41.690 1.00 0.00 O +ATOM 9264 HW1 SOL 2564 2.470 46.660 41.270 1.00 0.00 H +ATOM 9265 HW2 SOL 2564 3.830 46.050 41.000 1.00 0.00 H +ATOM 9266 OW SOL 2565 53.770 10.710 42.490 1.00 0.00 O +ATOM 9267 HW1 SOL 2565 54.390 10.290 43.090 1.00 0.00 H +ATOM 9268 HW2 SOL 2565 53.030 10.100 42.450 1.00 0.00 H +ATOM 9269 OW SOL 2566 6.870 47.460 37.990 1.00 0.00 O +ATOM 9270 HW1 SOL 2566 6.880 48.420 38.050 1.00 0.00 H +ATOM 9271 HW2 SOL 2566 7.650 47.240 37.490 1.00 0.00 H +ATOM 9272 OW SOL 2567 2.180 56.070 49.550 1.00 0.00 O +ATOM 9273 HW1 SOL 2567 2.040 57.000 49.350 1.00 0.00 H +ATOM 9274 HW2 SOL 2567 1.350 55.650 49.320 1.00 0.00 H +ATOM 9275 OW SOL 2568 52.490 18.240 4.400 1.00 0.00 O +ATOM 9276 HW1 SOL 2568 53.120 18.520 5.050 1.00 0.00 H +ATOM 9277 HW2 SOL 2568 52.490 18.940 3.740 1.00 0.00 H +ATOM 9278 OW SOL 2569 31.670 57.930 53.610 1.00 0.00 O +ATOM 9279 HW1 SOL 2569 31.220 57.100 53.410 1.00 0.00 H +ATOM 9280 HW2 SOL 2569 32.040 58.200 52.770 1.00 0.00 H +ATOM 9281 OW SOL 2570 63.100 24.700 7.660 1.00 0.00 O +ATOM 9282 HW1 SOL 2570 62.610 24.620 6.840 1.00 0.00 H +ATOM 9283 HW2 SOL 2570 62.980 25.610 7.920 1.00 0.00 H +ATOM 9284 OW SOL 2571 8.840 48.170 40.830 1.00 0.00 O +ATOM 9285 HW1 SOL 2571 8.880 47.730 39.980 1.00 0.00 H +ATOM 9286 HW2 SOL 2571 9.680 47.950 41.250 1.00 0.00 H +ATOM 9287 OW SOL 2572 54.220 60.170 8.840 1.00 0.00 O +ATOM 9288 HW1 SOL 2572 53.490 60.330 9.440 1.00 0.00 H +ATOM 9289 HW2 SOL 2572 54.970 60.590 9.260 1.00 0.00 H +ATOM 9290 OW SOL 2573 29.840 39.680 49.510 1.00 0.00 O +ATOM 9291 HW1 SOL 2573 30.440 39.010 49.190 1.00 0.00 H +ATOM 9292 HW2 SOL 2573 30.400 40.440 49.690 1.00 0.00 H +ATOM 9293 OW SOL 2574 16.940 37.140 48.060 1.00 0.00 O +ATOM 9294 HW1 SOL 2574 16.290 36.970 47.370 1.00 0.00 H +ATOM 9295 HW2 SOL 2574 17.720 36.650 47.780 1.00 0.00 H +ATOM 9296 OW SOL 2575 8.690 58.110 19.210 1.00 0.00 O +ATOM 9297 HW1 SOL 2575 7.970 57.940 19.820 1.00 0.00 H +ATOM 9298 HW2 SOL 2575 8.720 59.070 19.140 1.00 0.00 H +ATOM 9299 OW SOL 2576 13.910 54.560 3.930 1.00 0.00 O +ATOM 9300 HW1 SOL 2576 14.150 53.850 3.330 1.00 0.00 H +ATOM 9301 HW2 SOL 2576 14.650 54.620 4.530 1.00 0.00 H +ATOM 9302 OW SOL 2577 62.340 53.500 19.530 1.00 0.00 O +ATOM 9303 HW1 SOL 2577 62.680 53.430 20.430 1.00 0.00 H +ATOM 9304 HW2 SOL 2577 62.010 54.400 19.470 1.00 0.00 H +ATOM 9305 OW SOL 2578 40.590 49.800 52.610 1.00 0.00 O +ATOM 9306 HW1 SOL 2578 40.370 50.020 51.710 1.00 0.00 H +ATOM 9307 HW2 SOL 2578 39.850 50.130 53.130 1.00 0.00 H +ATOM 9308 OW SOL 2579 13.930 8.740 35.260 1.00 0.00 O +ATOM 9309 HW1 SOL 2579 14.360 9.190 34.520 1.00 0.00 H +ATOM 9310 HW2 SOL 2579 13.060 9.130 35.300 1.00 0.00 H +ATOM 9311 OW SOL 2580 53.670 11.570 11.950 1.00 0.00 O +ATOM 9312 HW1 SOL 2580 54.270 11.290 12.630 1.00 0.00 H +ATOM 9313 HW2 SOL 2580 52.800 11.380 12.310 1.00 0.00 H +ATOM 9314 OW SOL 2581 30.130 48.260 44.220 1.00 0.00 O +ATOM 9315 HW1 SOL 2581 30.540 48.930 44.770 1.00 0.00 H +ATOM 9316 HW2 SOL 2581 30.660 48.240 43.420 1.00 0.00 H +ATOM 9317 OW SOL 2582 24.380 38.350 41.560 1.00 0.00 O +ATOM 9318 HW1 SOL 2582 24.390 37.740 42.290 1.00 0.00 H +ATOM 9319 HW2 SOL 2582 23.840 37.930 40.900 1.00 0.00 H +ATOM 9320 OW SOL 2583 27.130 16.790 50.500 1.00 0.00 O +ATOM 9321 HW1 SOL 2583 26.470 16.140 50.710 1.00 0.00 H +ATOM 9322 HW2 SOL 2583 26.860 17.150 49.650 1.00 0.00 H +ATOM 9323 OW SOL 2584 13.340 45.890 4.540 1.00 0.00 O +ATOM 9324 HW1 SOL 2584 13.490 45.850 5.480 1.00 0.00 H +ATOM 9325 HW2 SOL 2584 12.470 46.290 4.460 1.00 0.00 H +ATOM 9326 OW SOL 2585 31.880 2.300 37.170 1.00 0.00 O +ATOM 9327 HW1 SOL 2585 31.060 2.500 37.610 1.00 0.00 H +ATOM 9328 HW2 SOL 2585 32.450 1.950 37.860 1.00 0.00 H +ATOM 9329 OW SOL 2586 9.630 46.930 30.900 1.00 0.00 O +ATOM 9330 HW1 SOL 2586 8.740 46.630 30.700 1.00 0.00 H +ATOM 9331 HW2 SOL 2586 10.150 46.130 30.910 1.00 0.00 H +ATOM 9332 OW SOL 2587 28.150 18.710 20.540 1.00 0.00 O +ATOM 9333 HW1 SOL 2587 28.430 19.610 20.400 1.00 0.00 H +ATOM 9334 HW2 SOL 2587 28.510 18.480 21.390 1.00 0.00 H +ATOM 9335 OW SOL 2588 45.950 38.350 14.220 1.00 0.00 O +ATOM 9336 HW1 SOL 2588 46.150 37.520 13.790 1.00 0.00 H +ATOM 9337 HW2 SOL 2588 45.030 38.260 14.490 1.00 0.00 H +ATOM 9338 OW SOL 2589 23.020 16.990 30.910 1.00 0.00 O +ATOM 9339 HW1 SOL 2589 23.060 17.240 29.990 1.00 0.00 H +ATOM 9340 HW2 SOL 2589 22.100 17.120 31.160 1.00 0.00 H +ATOM 9341 OW SOL 2590 60.490 19.250 25.370 1.00 0.00 O +ATOM 9342 HW1 SOL 2590 59.930 19.690 24.730 1.00 0.00 H +ATOM 9343 HW2 SOL 2590 61.070 19.930 25.700 1.00 0.00 H +ATOM 9344 OW SOL 2591 15.220 7.230 41.020 1.00 0.00 O +ATOM 9345 HW1 SOL 2591 15.170 6.990 40.090 1.00 0.00 H +ATOM 9346 HW2 SOL 2591 14.990 6.430 41.490 1.00 0.00 H +ATOM 9347 OW SOL 2592 17.940 8.760 9.170 1.00 0.00 O +ATOM 9348 HW1 SOL 2592 16.980 8.780 9.120 1.00 0.00 H +ATOM 9349 HW2 SOL 2592 18.130 8.800 10.110 1.00 0.00 H +ATOM 9350 OW SOL 2593 37.400 5.680 34.460 1.00 0.00 O +ATOM 9351 HW1 SOL 2593 37.460 6.420 33.850 1.00 0.00 H +ATOM 9352 HW2 SOL 2593 36.520 5.340 34.330 1.00 0.00 H +ATOM 9353 OW SOL 2594 59.940 25.270 40.950 1.00 0.00 O +ATOM 9354 HW1 SOL 2594 59.490 26.100 40.750 1.00 0.00 H +ATOM 9355 HW2 SOL 2594 60.260 24.970 40.100 1.00 0.00 H +ATOM 9356 OW SOL 2595 30.060 30.290 18.630 1.00 0.00 O +ATOM 9357 HW1 SOL 2595 29.470 31.050 18.570 1.00 0.00 H +ATOM 9358 HW2 SOL 2595 29.470 29.530 18.630 1.00 0.00 H +ATOM 9359 OW SOL 2596 36.670 1.190 31.770 1.00 0.00 O +ATOM 9360 HW1 SOL 2596 37.020 1.580 30.980 1.00 0.00 H +ATOM 9361 HW2 SOL 2596 36.800 0.250 31.650 1.00 0.00 H +ATOM 9362 OW SOL 2597 49.630 28.890 36.300 1.00 0.00 O +ATOM 9363 HW1 SOL 2597 49.070 28.270 36.760 1.00 0.00 H +ATOM 9364 HW2 SOL 2597 50.370 29.040 36.890 1.00 0.00 H +ATOM 9365 OW SOL 2598 28.100 54.470 10.290 1.00 0.00 O +ATOM 9366 HW1 SOL 2598 28.830 55.070 10.430 1.00 0.00 H +ATOM 9367 HW2 SOL 2598 27.580 54.870 9.590 1.00 0.00 H +ATOM 9368 OW SOL 2599 13.070 47.460 14.590 1.00 0.00 O +ATOM 9369 HW1 SOL 2599 12.160 47.740 14.660 1.00 0.00 H +ATOM 9370 HW2 SOL 2599 13.360 47.370 15.500 1.00 0.00 H +ATOM 9371 OW SOL 2600 40.490 16.060 8.620 1.00 0.00 O +ATOM 9372 HW1 SOL 2600 40.930 15.980 7.780 1.00 0.00 H +ATOM 9373 HW2 SOL 2600 39.690 15.540 8.530 1.00 0.00 H +ATOM 9374 OW SOL 2601 45.900 60.690 5.390 1.00 0.00 O +ATOM 9375 HW1 SOL 2601 45.140 61.160 5.050 1.00 0.00 H +ATOM 9376 HW2 SOL 2601 45.670 60.460 6.290 1.00 0.00 H +ATOM 9377 OW SOL 2602 54.040 44.860 23.760 1.00 0.00 O +ATOM 9378 HW1 SOL 2602 53.570 45.530 24.250 1.00 0.00 H +ATOM 9379 HW2 SOL 2602 53.420 44.130 23.690 1.00 0.00 H +ATOM 9380 OW SOL 2603 24.210 25.220 40.020 1.00 0.00 O +ATOM 9381 HW1 SOL 2603 24.170 24.260 40.030 1.00 0.00 H +ATOM 9382 HW2 SOL 2603 23.330 25.500 40.270 1.00 0.00 H +ATOM 9383 OW SOL 2604 50.670 49.820 14.240 1.00 0.00 O +ATOM 9384 HW1 SOL 2604 49.760 50.110 14.130 1.00 0.00 H +ATOM 9385 HW2 SOL 2604 50.690 48.950 13.850 1.00 0.00 H +ATOM 9386 OW SOL 2605 14.260 27.040 26.440 1.00 0.00 O +ATOM 9387 HW1 SOL 2605 14.060 26.140 26.710 1.00 0.00 H +ATOM 9388 HW2 SOL 2605 13.560 27.560 26.820 1.00 0.00 H +ATOM 9389 OW SOL 2606 1.050 48.310 38.090 1.00 0.00 O +ATOM 9390 HW1 SOL 2606 1.400 47.910 38.890 1.00 0.00 H +ATOM 9391 HW2 SOL 2606 0.350 48.880 38.410 1.00 0.00 H +ATOM 9392 OW SOL 2607 63.700 60.890 52.120 1.00 0.00 O +ATOM 9393 HW1 SOL 2607 64.420 60.300 51.870 1.00 0.00 H +ATOM 9394 HW2 SOL 2607 63.060 60.320 52.540 1.00 0.00 H +ATOM 9395 OW SOL 2608 62.380 60.200 1.110 1.00 0.00 O +ATOM 9396 HW1 SOL 2608 63.040 60.870 0.920 1.00 0.00 H +ATOM 9397 HW2 SOL 2608 61.640 60.410 0.540 1.00 0.00 H +ATOM 9398 OW SOL 2609 35.610 28.150 26.160 1.00 0.00 O +ATOM 9399 HW1 SOL 2609 35.370 28.250 27.080 1.00 0.00 H +ATOM 9400 HW2 SOL 2609 34.930 28.630 25.680 1.00 0.00 H +ATOM 9401 OW SOL 2610 49.700 20.690 44.930 1.00 0.00 O +ATOM 9402 HW1 SOL 2610 49.690 19.950 45.540 1.00 0.00 H +ATOM 9403 HW2 SOL 2610 49.130 20.420 44.210 1.00 0.00 H +ATOM 9404 OW SOL 2611 17.590 51.250 4.030 1.00 0.00 O +ATOM 9405 HW1 SOL 2611 17.270 52.060 3.630 1.00 0.00 H +ATOM 9406 HW2 SOL 2611 18.530 51.230 3.830 1.00 0.00 H +ATOM 9407 OW SOL 2612 41.520 3.520 7.580 1.00 0.00 O +ATOM 9408 HW1 SOL 2612 41.290 4.390 7.900 1.00 0.00 H +ATOM 9409 HW2 SOL 2612 40.690 3.040 7.580 1.00 0.00 H +ATOM 9410 OW SOL 2613 43.780 50.170 21.400 1.00 0.00 O +ATOM 9411 HW1 SOL 2613 44.300 49.910 20.640 1.00 0.00 H +ATOM 9412 HW2 SOL 2613 43.630 51.110 21.280 1.00 0.00 H +ATOM 9413 OW SOL 2614 59.920 34.930 41.010 1.00 0.00 O +ATOM 9414 HW1 SOL 2614 59.560 34.640 41.850 1.00 0.00 H +ATOM 9415 HW2 SOL 2614 59.170 34.920 40.410 1.00 0.00 H +ATOM 9416 OW SOL 2615 8.320 15.040 10.880 1.00 0.00 O +ATOM 9417 HW1 SOL 2615 9.240 14.870 10.660 1.00 0.00 H +ATOM 9418 HW2 SOL 2615 7.890 14.200 10.770 1.00 0.00 H +ATOM 9419 OW SOL 2616 54.950 41.360 6.690 1.00 0.00 O +ATOM 9420 HW1 SOL 2616 54.830 42.200 6.240 1.00 0.00 H +ATOM 9421 HW2 SOL 2616 54.080 41.140 7.030 1.00 0.00 H +ATOM 9422 OW SOL 2617 51.970 21.300 30.560 1.00 0.00 O +ATOM 9423 HW1 SOL 2617 52.780 21.810 30.570 1.00 0.00 H +ATOM 9424 HW2 SOL 2617 51.320 21.880 30.170 1.00 0.00 H +ATOM 9425 OW SOL 2618 46.030 25.900 53.100 1.00 0.00 O +ATOM 9426 HW1 SOL 2618 46.180 25.590 52.210 1.00 0.00 H +ATOM 9427 HW2 SOL 2618 46.890 25.870 53.520 1.00 0.00 H +ATOM 9428 OW SOL 2619 39.290 10.840 10.800 1.00 0.00 O +ATOM 9429 HW1 SOL 2619 39.310 9.980 11.210 1.00 0.00 H +ATOM 9430 HW2 SOL 2619 39.980 11.340 11.230 1.00 0.00 H +ATOM 9431 OW SOL 2620 21.470 19.460 35.490 1.00 0.00 O +ATOM 9432 HW1 SOL 2620 22.170 20.060 35.240 1.00 0.00 H +ATOM 9433 HW2 SOL 2620 21.480 18.790 34.810 1.00 0.00 H +ATOM 9434 OW SOL 2621 43.170 33.320 44.300 1.00 0.00 O +ATOM 9435 HW1 SOL 2621 43.170 32.870 43.450 1.00 0.00 H +ATOM 9436 HW2 SOL 2621 44.080 33.580 44.440 1.00 0.00 H +ATOM 9437 OW SOL 2622 39.250 23.280 5.460 1.00 0.00 O +ATOM 9438 HW1 SOL 2622 39.780 22.910 6.160 1.00 0.00 H +ATOM 9439 HW2 SOL 2622 38.780 24.010 5.860 1.00 0.00 H +ATOM 9440 OW SOL 2623 15.540 16.690 19.880 1.00 0.00 O +ATOM 9441 HW1 SOL 2623 15.600 17.400 19.250 1.00 0.00 H +ATOM 9442 HW2 SOL 2623 14.600 16.600 20.040 1.00 0.00 H +ATOM 9443 OW SOL 2624 63.700 15.300 45.120 1.00 0.00 O +ATOM 9444 HW1 SOL 2624 63.180 14.700 44.590 1.00 0.00 H +ATOM 9445 HW2 SOL 2624 64.580 14.920 45.130 1.00 0.00 H +ATOM 9446 OW SOL 2625 24.316 0.188 16.950 1.00 0.00 O +ATOM 9447 HW1 SOL 2625 24.116 -0.722 16.730 1.00 0.00 H +ATOM 9448 HW2 SOL 2625 25.266 0.258 16.850 1.00 0.00 H +ATOM 9449 OW SOL 2626 65.140 21.380 43.800 1.00 0.00 O +ATOM 9450 HW1 SOL 2626 64.990 20.830 43.040 1.00 0.00 H +ATOM 9451 HW2 SOL 2626 64.610 20.980 44.490 1.00 0.00 H +ATOM 9452 OW SOL 2627 25.640 4.190 44.570 1.00 0.00 O +ATOM 9453 HW1 SOL 2627 26.520 4.280 44.930 1.00 0.00 H +ATOM 9454 HW2 SOL 2627 25.510 4.970 44.040 1.00 0.00 H +ATOM 9455 OW SOL 2628 51.710 35.650 31.050 1.00 0.00 O +ATOM 9456 HW1 SOL 2628 52.100 35.940 31.880 1.00 0.00 H +ATOM 9457 HW2 SOL 2628 50.790 35.900 31.120 1.00 0.00 H +ATOM 9458 OW SOL 2629 25.120 7.310 50.190 1.00 0.00 O +ATOM 9459 HW1 SOL 2629 25.730 7.140 50.900 1.00 0.00 H +ATOM 9460 HW2 SOL 2629 25.380 8.170 49.850 1.00 0.00 H +ATOM 9461 OW SOL 2630 3.480 6.250 36.760 1.00 0.00 O +ATOM 9462 HW1 SOL 2630 2.650 6.440 37.200 1.00 0.00 H +ATOM 9463 HW2 SOL 2630 3.480 6.830 36.000 1.00 0.00 H +ATOM 9464 OW SOL 2631 47.130 20.170 11.610 1.00 0.00 O +ATOM 9465 HW1 SOL 2631 47.650 20.450 12.370 1.00 0.00 H +ATOM 9466 HW2 SOL 2631 46.280 20.590 11.740 1.00 0.00 H +ATOM 9467 OW SOL 2632 51.480 20.850 36.880 1.00 0.00 O +ATOM 9468 HW1 SOL 2632 52.210 20.680 37.470 1.00 0.00 H +ATOM 9469 HW2 SOL 2632 51.090 21.660 37.200 1.00 0.00 H +ATOM 9470 OW SOL 2633 5.090 2.560 30.880 1.00 0.00 O +ATOM 9471 HW1 SOL 2633 5.110 2.870 29.970 1.00 0.00 H +ATOM 9472 HW2 SOL 2633 5.850 2.960 31.290 1.00 0.00 H +ATOM 9473 OW SOL 2634 3.470 24.620 6.530 1.00 0.00 O +ATOM 9474 HW1 SOL 2634 4.390 24.830 6.650 1.00 0.00 H +ATOM 9475 HW2 SOL 2634 3.240 24.090 7.300 1.00 0.00 H +ATOM 9476 OW SOL 2635 52.210 6.170 43.510 1.00 0.00 O +ATOM 9477 HW1 SOL 2635 52.460 6.100 42.590 1.00 0.00 H +ATOM 9478 HW2 SOL 2635 51.720 6.990 43.560 1.00 0.00 H +ATOM 9479 OW SOL 2636 6.450 9.480 49.320 1.00 0.00 O +ATOM 9480 HW1 SOL 2636 6.380 9.380 50.270 1.00 0.00 H +ATOM 9481 HW2 SOL 2636 7.210 8.960 49.070 1.00 0.00 H +ATOM 9482 OW SOL 2637 13.390 29.130 39.620 1.00 0.00 O +ATOM 9483 HW1 SOL 2637 14.310 29.130 39.880 1.00 0.00 H +ATOM 9484 HW2 SOL 2637 13.380 29.540 38.760 1.00 0.00 H +ATOM 9485 OW SOL 2638 57.980 19.680 35.640 1.00 0.00 O +ATOM 9486 HW1 SOL 2638 57.030 19.650 35.730 1.00 0.00 H +ATOM 9487 HW2 SOL 2638 58.130 20.100 34.790 1.00 0.00 H +ATOM 9488 OW SOL 2639 14.780 21.620 18.320 1.00 0.00 O +ATOM 9489 HW1 SOL 2639 15.070 22.470 18.000 1.00 0.00 H +ATOM 9490 HW2 SOL 2639 14.420 21.180 17.550 1.00 0.00 H +ATOM 9491 OW SOL 2640 5.080 32.220 37.640 1.00 0.00 O +ATOM 9492 HW1 SOL 2640 4.220 32.640 37.610 1.00 0.00 H +ATOM 9493 HW2 SOL 2640 5.670 32.900 37.960 1.00 0.00 H +ATOM 9494 OW SOL 2641 57.240 25.380 45.350 1.00 0.00 O +ATOM 9495 HW1 SOL 2641 56.410 25.850 45.350 1.00 0.00 H +ATOM 9496 HW2 SOL 2641 57.360 25.110 44.430 1.00 0.00 H +ATOM 9497 OW SOL 2642 12.740 51.190 15.030 1.00 0.00 O +ATOM 9498 HW1 SOL 2642 12.090 50.560 14.710 1.00 0.00 H +ATOM 9499 HW2 SOL 2642 12.360 52.050 14.830 1.00 0.00 H +ATOM 9500 OW SOL 2643 49.730 9.600 21.790 1.00 0.00 O +ATOM 9501 HW1 SOL 2643 48.790 9.730 21.700 1.00 0.00 H +ATOM 9502 HW2 SOL 2643 49.860 9.360 22.710 1.00 0.00 H +ATOM 9503 OW SOL 2644 16.630 20.020 42.720 1.00 0.00 O +ATOM 9504 HW1 SOL 2644 16.080 20.700 42.340 1.00 0.00 H +ATOM 9505 HW2 SOL 2644 16.010 19.390 43.100 1.00 0.00 H +ATOM 9506 OW SOL 2645 46.310 59.860 35.760 1.00 0.00 O +ATOM 9507 HW1 SOL 2645 46.860 60.180 35.050 1.00 0.00 H +ATOM 9508 HW2 SOL 2645 45.990 60.660 36.200 1.00 0.00 H +ATOM 9509 OW SOL 2646 8.410 23.690 22.820 1.00 0.00 O +ATOM 9510 HW1 SOL 2646 8.430 24.190 22.010 1.00 0.00 H +ATOM 9511 HW2 SOL 2646 7.490 23.690 23.090 1.00 0.00 H +ATOM 9512 OW SOL 2647 26.430 24.600 44.840 1.00 0.00 O +ATOM 9513 HW1 SOL 2647 25.790 24.690 44.140 1.00 0.00 H +ATOM 9514 HW2 SOL 2647 26.970 25.390 44.770 1.00 0.00 H +ATOM 9515 OW SOL 2648 61.950 29.250 11.430 1.00 0.00 O +ATOM 9516 HW1 SOL 2648 62.760 28.890 11.800 1.00 0.00 H +ATOM 9517 HW2 SOL 2648 61.270 28.620 11.670 1.00 0.00 H +ATOM 9518 OW SOL 2649 47.970 51.850 6.170 1.00 0.00 O +ATOM 9519 HW1 SOL 2649 47.880 50.960 5.830 1.00 0.00 H +ATOM 9520 HW2 SOL 2649 47.080 52.190 6.190 1.00 0.00 H +ATOM 9521 OW SOL 2650 33.740 39.160 50.030 1.00 0.00 O +ATOM 9522 HW1 SOL 2650 33.360 39.800 49.430 1.00 0.00 H +ATOM 9523 HW2 SOL 2650 33.060 38.510 50.170 1.00 0.00 H +ATOM 9524 OW SOL 2651 63.450 49.540 44.870 1.00 0.00 O +ATOM 9525 HW1 SOL 2651 63.380 49.140 45.730 1.00 0.00 H +ATOM 9526 HW2 SOL 2651 62.750 50.180 44.840 1.00 0.00 H +ATOM 9527 OW SOL 2652 62.840 29.980 48.940 1.00 0.00 O +ATOM 9528 HW1 SOL 2652 63.280 29.280 49.430 1.00 0.00 H +ATOM 9529 HW2 SOL 2652 62.500 29.550 48.160 1.00 0.00 H +ATOM 9530 OW SOL 2653 53.290 4.860 17.380 1.00 0.00 O +ATOM 9531 HW1 SOL 2653 53.960 4.900 18.060 1.00 0.00 H +ATOM 9532 HW2 SOL 2653 53.780 4.750 16.560 1.00 0.00 H +ATOM 9533 OW SOL 2654 39.340 36.520 48.360 1.00 0.00 O +ATOM 9534 HW1 SOL 2654 39.260 35.590 48.140 1.00 0.00 H +ATOM 9535 HW2 SOL 2654 39.450 36.950 47.510 1.00 0.00 H +ATOM 9536 OW SOL 2655 43.630 54.950 49.510 1.00 0.00 O +ATOM 9537 HW1 SOL 2655 43.810 54.590 50.380 1.00 0.00 H +ATOM 9538 HW2 SOL 2655 44.050 55.810 49.520 1.00 0.00 H +ATOM 9539 OW SOL 2656 11.390 59.120 39.960 1.00 0.00 O +ATOM 9540 HW1 SOL 2656 12.290 58.820 39.820 1.00 0.00 H +ATOM 9541 HW2 SOL 2656 11.030 58.490 40.590 1.00 0.00 H +ATOM 9542 OW SOL 2657 57.380 17.470 15.200 1.00 0.00 O +ATOM 9543 HW1 SOL 2657 58.280 17.220 15.400 1.00 0.00 H +ATOM 9544 HW2 SOL 2657 57.210 17.080 14.340 1.00 0.00 H +ATOM 9545 OW SOL 2658 65.040 17.910 15.440 1.00 0.00 O +ATOM 9546 HW1 SOL 2658 64.080 17.960 15.520 1.00 0.00 H +ATOM 9547 HW2 SOL 2658 65.330 17.550 16.270 1.00 0.00 H +ATOM 9548 OW SOL 2659 61.470 43.350 40.260 1.00 0.00 O +ATOM 9549 HW1 SOL 2659 61.920 43.830 40.960 1.00 0.00 H +ATOM 9550 HW2 SOL 2659 60.550 43.600 40.360 1.00 0.00 H +ATOM 9551 OW SOL 2660 15.200 20.520 20.820 1.00 0.00 O +ATOM 9552 HW1 SOL 2660 14.840 20.910 20.020 1.00 0.00 H +ATOM 9553 HW2 SOL 2660 16.130 20.400 20.620 1.00 0.00 H +ATOM 9554 OW SOL 2661 30.700 27.620 1.800 1.00 0.00 O +ATOM 9555 HW1 SOL 2661 31.100 27.330 0.980 1.00 0.00 H +ATOM 9556 HW2 SOL 2661 31.210 28.390 2.060 1.00 0.00 H +ATOM 9557 OW SOL 2662 10.490 8.040 13.010 1.00 0.00 O +ATOM 9558 HW1 SOL 2662 10.920 7.230 12.720 1.00 0.00 H +ATOM 9559 HW2 SOL 2662 10.230 7.870 13.920 1.00 0.00 H +ATOM 9560 OW SOL 2663 2.170 11.910 1.400 1.00 0.00 O +ATOM 9561 HW1 SOL 2663 2.280 11.260 0.690 1.00 0.00 H +ATOM 9562 HW2 SOL 2663 3.030 11.970 1.800 1.00 0.00 H +ATOM 9563 OW SOL 2664 2.530 44.640 30.560 1.00 0.00 O +ATOM 9564 HW1 SOL 2664 3.440 44.390 30.360 1.00 0.00 H +ATOM 9565 HW2 SOL 2664 2.200 43.920 31.100 1.00 0.00 H +ATOM 9566 OW SOL 2665 40.320 61.180 13.810 1.00 0.00 O +ATOM 9567 HW1 SOL 2665 39.950 62.060 13.780 1.00 0.00 H +ATOM 9568 HW2 SOL 2665 41.030 61.190 13.180 1.00 0.00 H +ATOM 9569 OW SOL 2666 56.020 0.950 23.140 1.00 0.00 O +ATOM 9570 HW1 SOL 2666 55.480 0.530 22.470 1.00 0.00 H +ATOM 9571 HW2 SOL 2666 55.420 1.550 23.590 1.00 0.00 H +ATOM 9572 OW SOL 2667 40.060 4.970 24.640 1.00 0.00 O +ATOM 9573 HW1 SOL 2667 39.120 4.800 24.510 1.00 0.00 H +ATOM 9574 HW2 SOL 2667 40.380 5.210 23.770 1.00 0.00 H +ATOM 9575 OW SOL 2668 49.170 5.500 37.930 1.00 0.00 O +ATOM 9576 HW1 SOL 2668 50.030 5.720 37.570 1.00 0.00 H +ATOM 9577 HW2 SOL 2668 49.030 6.140 38.620 1.00 0.00 H +ATOM 9578 OW SOL 2669 15.840 49.380 28.870 1.00 0.00 O +ATOM 9579 HW1 SOL 2669 16.490 50.060 29.020 1.00 0.00 H +ATOM 9580 HW2 SOL 2669 15.740 49.350 27.920 1.00 0.00 H +ATOM 9581 OW SOL 2670 6.890 28.800 24.100 1.00 0.00 O +ATOM 9582 HW1 SOL 2670 7.270 29.620 23.780 1.00 0.00 H +ATOM 9583 HW2 SOL 2670 5.940 28.940 24.020 1.00 0.00 H +ATOM 9584 OW SOL 2671 13.810 47.390 22.950 1.00 0.00 O +ATOM 9585 HW1 SOL 2671 14.440 46.670 23.000 1.00 0.00 H +ATOM 9586 HW2 SOL 2671 12.950 46.970 23.020 1.00 0.00 H +ATOM 9587 OW SOL 2672 54.570 4.320 14.790 1.00 0.00 O +ATOM 9588 HW1 SOL 2672 54.610 5.260 14.650 1.00 0.00 H +ATOM 9589 HW2 SOL 2672 54.700 3.940 13.920 1.00 0.00 H +ATOM 9590 OW SOL 2673 2.230 11.120 7.020 1.00 0.00 O +ATOM 9591 HW1 SOL 2673 2.500 11.960 7.390 1.00 0.00 H +ATOM 9592 HW2 SOL 2673 1.290 11.220 6.850 1.00 0.00 H +ATOM 9593 OW SOL 2674 0.910 22.300 41.350 1.00 0.00 O +ATOM 9594 HW1 SOL 2674 0.760 22.750 40.520 1.00 0.00 H +ATOM 9595 HW2 SOL 2674 0.410 21.490 41.280 1.00 0.00 H +ATOM 9596 OW SOL 2675 16.300 55.960 38.920 1.00 0.00 O +ATOM 9597 HW1 SOL 2675 16.420 56.810 38.480 1.00 0.00 H +ATOM 9598 HW2 SOL 2675 15.910 55.400 38.240 1.00 0.00 H +ATOM 9599 OW SOL 2676 62.650 14.560 26.040 1.00 0.00 O +ATOM 9600 HW1 SOL 2676 62.800 15.380 25.570 1.00 0.00 H +ATOM 9601 HW2 SOL 2676 62.090 14.810 26.780 1.00 0.00 H +ATOM 9602 OW SOL 2677 1.290 17.300 50.510 1.00 0.00 O +ATOM 9603 HW1 SOL 2677 1.150 16.710 51.250 1.00 0.00 H +ATOM 9604 HW2 SOL 2677 0.520 17.870 50.500 1.00 0.00 H +ATOM 9605 OW SOL 2678 44.970 11.290 29.000 1.00 0.00 O +ATOM 9606 HW1 SOL 2678 45.690 11.390 28.370 1.00 0.00 H +ATOM 9607 HW2 SOL 2678 44.860 10.350 29.100 1.00 0.00 H +ATOM 9608 OW SOL 2679 23.780 9.180 6.830 1.00 0.00 O +ATOM 9609 HW1 SOL 2679 23.620 10.060 6.480 1.00 0.00 H +ATOM 9610 HW2 SOL 2679 23.980 8.640 6.070 1.00 0.00 H +ATOM 9611 OW SOL 2680 17.940 53.360 30.070 1.00 0.00 O +ATOM 9612 HW1 SOL 2680 17.100 53.770 30.260 1.00 0.00 H +ATOM 9613 HW2 SOL 2680 18.590 53.970 30.430 1.00 0.00 H +ATOM 9614 OW SOL 2681 34.020 29.460 52.100 1.00 0.00 O +ATOM 9615 HW1 SOL 2681 33.140 29.480 52.490 1.00 0.00 H +ATOM 9616 HW2 SOL 2681 34.150 30.340 51.760 1.00 0.00 H +ATOM 9617 OW SOL 2682 22.550 45.850 7.980 1.00 0.00 O +ATOM 9618 HW1 SOL 2682 22.810 45.810 7.060 1.00 0.00 H +ATOM 9619 HW2 SOL 2682 21.720 46.340 7.960 1.00 0.00 H +ATOM 9620 OW SOL 2683 50.540 34.420 9.490 1.00 0.00 O +ATOM 9621 HW1 SOL 2683 49.640 34.740 9.580 1.00 0.00 H +ATOM 9622 HW2 SOL 2683 50.810 34.720 8.630 1.00 0.00 H +ATOM 9623 OW SOL 2684 10.530 7.100 1.200 1.00 0.00 O +ATOM 9624 HW1 SOL 2684 11.220 6.440 1.140 1.00 0.00 H +ATOM 9625 HW2 SOL 2684 9.740 6.650 0.910 1.00 0.00 H +ATOM 9626 OW SOL 2685 65.000 25.830 49.280 1.00 0.00 O +ATOM 9627 HW1 SOL 2685 64.510 25.880 48.460 1.00 0.00 H +ATOM 9628 HW2 SOL 2685 64.450 26.280 49.920 1.00 0.00 H +ATOM 9629 OW SOL 2686 2.790 41.060 6.750 1.00 0.00 O +ATOM 9630 HW1 SOL 2686 2.380 40.190 6.860 1.00 0.00 H +ATOM 9631 HW2 SOL 2686 3.580 41.020 7.280 1.00 0.00 H +ATOM 9632 OW SOL 2687 63.960 12.410 36.520 1.00 0.00 O +ATOM 9633 HW1 SOL 2687 64.470 12.020 37.230 1.00 0.00 H +ATOM 9634 HW2 SOL 2687 64.460 12.200 35.730 1.00 0.00 H +ATOM 9635 OW SOL 2688 11.650 38.820 17.370 1.00 0.00 O +ATOM 9636 HW1 SOL 2688 11.190 38.220 17.960 1.00 0.00 H +ATOM 9637 HW2 SOL 2688 10.950 39.340 16.980 1.00 0.00 H +ATOM 9638 OW SOL 2689 15.750 23.520 14.530 1.00 0.00 O +ATOM 9639 HW1 SOL 2689 16.200 23.420 15.360 1.00 0.00 H +ATOM 9640 HW2 SOL 2689 15.250 24.330 14.620 1.00 0.00 H +ATOM 9641 OW SOL 2690 19.480 47.350 24.370 1.00 0.00 O +ATOM 9642 HW1 SOL 2690 20.090 47.820 23.790 1.00 0.00 H +ATOM 9643 HW2 SOL 2690 18.880 48.020 24.680 1.00 0.00 H +ATOM 9644 OW SOL 2691 56.240 38.930 38.460 1.00 0.00 O +ATOM 9645 HW1 SOL 2691 56.490 38.940 39.390 1.00 0.00 H +ATOM 9646 HW2 SOL 2691 56.870 38.350 38.050 1.00 0.00 H +ATOM 9647 OW SOL 2692 54.630 46.370 51.940 1.00 0.00 O +ATOM 9648 HW1 SOL 2692 54.630 46.750 51.060 1.00 0.00 H +ATOM 9649 HW2 SOL 2692 53.860 46.740 52.370 1.00 0.00 H +ATOM 9650 OW SOL 2693 59.730 53.030 46.300 1.00 0.00 O +ATOM 9651 HW1 SOL 2693 59.340 52.170 46.150 1.00 0.00 H +ATOM 9652 HW2 SOL 2693 60.660 52.840 46.480 1.00 0.00 H +ATOM 9653 OW SOL 2694 9.310 41.890 3.450 1.00 0.00 O +ATOM 9654 HW1 SOL 2694 9.290 42.260 4.330 1.00 0.00 H +ATOM 9655 HW2 SOL 2694 9.510 42.640 2.880 1.00 0.00 H +ATOM 9656 OW SOL 2695 11.320 5.560 40.970 1.00 0.00 O +ATOM 9657 HW1 SOL 2695 11.990 6.070 41.430 1.00 0.00 H +ATOM 9658 HW2 SOL 2695 11.790 5.140 40.250 1.00 0.00 H +ATOM 9659 OW SOL 2696 33.600 28.870 46.670 1.00 0.00 O +ATOM 9660 HW1 SOL 2696 34.050 29.410 46.030 1.00 0.00 H +ATOM 9661 HW2 SOL 2696 32.680 29.140 46.620 1.00 0.00 H +ATOM 9662 OW SOL 2697 24.810 4.660 17.420 1.00 0.00 O +ATOM 9663 HW1 SOL 2697 25.350 4.170 18.040 1.00 0.00 H +ATOM 9664 HW2 SOL 2697 25.440 5.060 16.820 1.00 0.00 H +ATOM 9665 OW SOL 2698 58.740 23.790 11.460 1.00 0.00 O +ATOM 9666 HW1 SOL 2698 59.610 23.690 11.070 1.00 0.00 H +ATOM 9667 HW2 SOL 2698 58.600 22.980 11.950 1.00 0.00 H +ATOM 9668 OW SOL 2699 25.150 30.020 6.920 1.00 0.00 O +ATOM 9669 HW1 SOL 2699 25.800 29.850 7.600 1.00 0.00 H +ATOM 9670 HW2 SOL 2699 25.060 30.970 6.900 1.00 0.00 H +ATOM 9671 OW SOL 2700 31.640 35.400 12.450 1.00 0.00 O +ATOM 9672 HW1 SOL 2700 31.190 36.100 11.970 1.00 0.00 H +ATOM 9673 HW2 SOL 2700 32.570 35.510 12.220 1.00 0.00 H +ATOM 9674 OW SOL 2701 54.290 9.320 3.240 1.00 0.00 O +ATOM 9675 HW1 SOL 2701 55.100 9.450 3.730 1.00 0.00 H +ATOM 9676 HW2 SOL 2701 54.450 9.740 2.390 1.00 0.00 H +ATOM 9677 OW SOL 2702 12.350 25.520 6.030 1.00 0.00 O +ATOM 9678 HW1 SOL 2702 11.870 26.260 6.390 1.00 0.00 H +ATOM 9679 HW2 SOL 2702 12.840 25.890 5.290 1.00 0.00 H +ATOM 9680 OW SOL 2703 21.550 20.930 39.530 1.00 0.00 O +ATOM 9681 HW1 SOL 2703 21.550 20.010 39.800 1.00 0.00 H +ATOM 9682 HW2 SOL 2703 21.060 20.940 38.710 1.00 0.00 H +ATOM 9683 OW SOL 2704 60.310 53.710 23.080 1.00 0.00 O +ATOM 9684 HW1 SOL 2704 60.480 54.150 22.240 1.00 0.00 H +ATOM 9685 HW2 SOL 2704 59.870 54.380 23.610 1.00 0.00 H +ATOM 9686 OW SOL 2705 19.930 13.530 44.350 1.00 0.00 O +ATOM 9687 HW1 SOL 2705 20.460 14.330 44.330 1.00 0.00 H +ATOM 9688 HW2 SOL 2705 20.570 12.820 44.250 1.00 0.00 H +ATOM 9689 OW SOL 2706 32.460 4.950 47.080 1.00 0.00 O +ATOM 9690 HW1 SOL 2706 32.340 4.030 47.340 1.00 0.00 H +ATOM 9691 HW2 SOL 2706 31.720 5.400 47.480 1.00 0.00 H +ATOM 9692 OW SOL 2707 35.090 5.630 2.530 1.00 0.00 O +ATOM 9693 HW1 SOL 2707 34.970 4.740 2.880 1.00 0.00 H +ATOM 9694 HW2 SOL 2707 35.980 5.620 2.160 1.00 0.00 H +ATOM 9695 OW SOL 2708 32.890 13.870 15.620 1.00 0.00 O +ATOM 9696 HW1 SOL 2708 32.290 13.400 16.200 1.00 0.00 H +ATOM 9697 HW2 SOL 2708 33.100 13.240 14.930 1.00 0.00 H +ATOM 9698 OW SOL 2709 6.070 32.090 34.390 1.00 0.00 O +ATOM 9699 HW1 SOL 2709 6.950 32.250 34.720 1.00 0.00 H +ATOM 9700 HW2 SOL 2709 5.670 32.960 34.350 1.00 0.00 H +ATOM 9701 OW SOL 2710 35.690 41.880 45.990 1.00 0.00 O +ATOM 9702 HW1 SOL 2710 36.630 42.030 46.000 1.00 0.00 H +ATOM 9703 HW2 SOL 2710 35.360 42.340 46.760 1.00 0.00 H +ATOM 9704 OW SOL 2711 46.080 55.030 3.820 1.00 0.00 O +ATOM 9705 HW1 SOL 2711 46.800 54.940 3.200 1.00 0.00 H +ATOM 9706 HW2 SOL 2711 46.100 55.950 4.090 1.00 0.00 H +ATOM 9707 OW SOL 2712 15.300 31.650 41.870 1.00 0.00 O +ATOM 9708 HW1 SOL 2712 15.770 30.850 41.630 1.00 0.00 H +ATOM 9709 HW2 SOL 2712 14.380 31.420 41.770 1.00 0.00 H +ATOM 9710 OW SOL 2713 43.250 0.560 5.480 1.00 0.00 O +ATOM 9711 HW1 SOL 2713 43.180 -0.400 5.480 1.00 0.00 H +ATOM 9712 HW2 SOL 2713 43.560 0.770 6.360 1.00 0.00 H +ATOM 9713 OW SOL 2714 6.590 26.210 35.210 1.00 0.00 O +ATOM 9714 HW1 SOL 2714 6.870 26.850 34.540 1.00 0.00 H +ATOM 9715 HW2 SOL 2714 7.040 25.410 34.970 1.00 0.00 H +ATOM 9716 OW SOL 2715 14.910 11.210 13.840 1.00 0.00 O +ATOM 9717 HW1 SOL 2715 14.790 12.060 13.400 1.00 0.00 H +ATOM 9718 HW2 SOL 2715 14.070 10.760 13.730 1.00 0.00 H +ATOM 9719 OW SOL 2716 3.240 27.550 7.890 1.00 0.00 O +ATOM 9720 HW1 SOL 2716 3.320 26.820 7.280 1.00 0.00 H +ATOM 9721 HW2 SOL 2716 2.410 27.960 7.680 1.00 0.00 H +ATOM 9722 OW SOL 2717 49.100 46.740 31.180 1.00 0.00 O +ATOM 9723 HW1 SOL 2717 48.530 47.310 31.690 1.00 0.00 H +ATOM 9724 HW2 SOL 2717 49.470 47.310 30.500 1.00 0.00 H +ATOM 9725 OW SOL 2718 43.930 43.350 3.870 1.00 0.00 O +ATOM 9726 HW1 SOL 2718 43.140 42.890 3.590 1.00 0.00 H +ATOM 9727 HW2 SOL 2718 44.650 42.870 3.460 1.00 0.00 H +ATOM 9728 OW SOL 2719 62.420 58.460 10.500 1.00 0.00 O +ATOM 9729 HW1 SOL 2719 61.970 58.750 9.700 1.00 0.00 H +ATOM 9730 HW2 SOL 2719 61.720 58.160 11.070 1.00 0.00 H +ATOM 9731 OW SOL 2720 51.950 13.710 9.100 1.00 0.00 O +ATOM 9732 HW1 SOL 2720 51.080 13.360 8.910 1.00 0.00 H +ATOM 9733 HW2 SOL 2720 52.030 14.470 8.520 1.00 0.00 H +ATOM 9734 OW SOL 2721 39.290 27.040 49.220 1.00 0.00 O +ATOM 9735 HW1 SOL 2721 40.080 26.620 49.560 1.00 0.00 H +ATOM 9736 HW2 SOL 2721 38.880 27.430 50.000 1.00 0.00 H +ATOM 9737 OW SOL 2722 0.140 3.610 11.610 1.00 0.00 O +ATOM 9738 HW1 SOL 2722 0.630 4.080 10.930 1.00 0.00 H +ATOM 9739 HW2 SOL 2722 0.430 4.000 12.430 1.00 0.00 H +ATOM 9740 OW SOL 2723 1.260 15.210 52.350 1.00 0.00 O +ATOM 9741 HW1 SOL 2723 2.030 14.860 51.890 1.00 0.00 H +ATOM 9742 HW2 SOL 2723 1.080 14.560 53.030 1.00 0.00 H +ATOM 9743 OW SOL 2724 61.410 57.180 35.800 1.00 0.00 O +ATOM 9744 HW1 SOL 2724 61.060 56.290 35.790 1.00 0.00 H +ATOM 9745 HW2 SOL 2724 62.260 57.100 35.360 1.00 0.00 H +ATOM 9746 OW SOL 2725 36.520 30.990 40.460 1.00 0.00 O +ATOM 9747 HW1 SOL 2725 36.550 31.710 39.830 1.00 0.00 H +ATOM 9748 HW2 SOL 2725 37.410 30.640 40.460 1.00 0.00 H +ATOM 9749 OW SOL 2726 38.090 10.500 30.430 1.00 0.00 O +ATOM 9750 HW1 SOL 2726 38.300 10.270 29.530 1.00 0.00 H +ATOM 9751 HW2 SOL 2726 38.800 10.120 30.950 1.00 0.00 H +ATOM 9752 OW SOL 2727 3.900 14.870 40.600 1.00 0.00 O +ATOM 9753 HW1 SOL 2727 4.510 15.200 41.280 1.00 0.00 H +ATOM 9754 HW2 SOL 2727 4.470 14.490 39.930 1.00 0.00 H +ATOM 9755 OW SOL 2728 54.010 32.400 1.040 1.00 0.00 O +ATOM 9756 HW1 SOL 2728 53.220 31.880 0.880 1.00 0.00 H +ATOM 9757 HW2 SOL 2728 53.740 33.310 0.910 1.00 0.00 H +ATOM 9758 OW SOL 2729 29.340 2.210 38.380 1.00 0.00 O +ATOM 9759 HW1 SOL 2729 29.100 1.320 38.140 1.00 0.00 H +ATOM 9760 HW2 SOL 2729 28.550 2.730 38.200 1.00 0.00 H +ATOM 9761 OW SOL 2730 40.240 29.520 21.840 1.00 0.00 O +ATOM 9762 HW1 SOL 2730 39.520 29.630 21.220 1.00 0.00 H +ATOM 9763 HW2 SOL 2730 40.420 28.580 21.850 1.00 0.00 H +ATOM 9764 OW SOL 2731 46.330 8.520 21.790 1.00 0.00 O +ATOM 9765 HW1 SOL 2731 45.840 7.960 21.190 1.00 0.00 H +ATOM 9766 HW2 SOL 2731 46.170 8.140 22.650 1.00 0.00 H +ATOM 9767 OW SOL 2732 8.790 11.340 46.500 1.00 0.00 O +ATOM 9768 HW1 SOL 2732 9.550 10.880 46.850 1.00 0.00 H +ATOM 9769 HW2 SOL 2732 8.570 10.870 45.690 1.00 0.00 H +ATOM 9770 OW SOL 2733 12.020 4.620 33.110 1.00 0.00 O +ATOM 9771 HW1 SOL 2733 12.430 4.060 33.770 1.00 0.00 H +ATOM 9772 HW2 SOL 2733 11.650 5.350 33.610 1.00 0.00 H +ATOM 9773 OW SOL 2734 36.560 28.580 0.550 1.00 0.00 O +ATOM 9774 HW1 SOL 2734 36.850 29.220 1.190 1.00 0.00 H +ATOM 9775 HW2 SOL 2734 36.270 29.110 -0.200 1.00 0.00 H +ATOM 9776 OW SOL 2735 1.680 26.250 18.060 1.00 0.00 O +ATOM 9777 HW1 SOL 2735 2.160 27.050 17.840 1.00 0.00 H +ATOM 9778 HW2 SOL 2735 1.760 25.700 17.270 1.00 0.00 H +ATOM 9779 OW SOL 2736 32.580 55.830 48.780 1.00 0.00 O +ATOM 9780 HW1 SOL 2736 32.480 55.190 48.070 1.00 0.00 H +ATOM 9781 HW2 SOL 2736 31.680 56.090 48.990 1.00 0.00 H +ATOM 9782 OW SOL 2737 32.990 7.630 13.400 1.00 0.00 O +ATOM 9783 HW1 SOL 2737 33.120 8.020 14.260 1.00 0.00 H +ATOM 9784 HW2 SOL 2737 33.100 8.360 12.790 1.00 0.00 H +ATOM 9785 OW SOL 2738 15.050 34.650 15.580 1.00 0.00 O +ATOM 9786 HW1 SOL 2738 14.900 34.780 16.510 1.00 0.00 H +ATOM 9787 HW2 SOL 2738 15.490 33.800 15.530 1.00 0.00 H +ATOM 9788 OW SOL 2739 18.840 2.180 3.630 1.00 0.00 O +ATOM 9789 HW1 SOL 2739 18.670 1.460 4.230 1.00 0.00 H +ATOM 9790 HW2 SOL 2739 19.040 1.760 2.790 1.00 0.00 H +ATOM 9791 OW SOL 2740 65.565 7.320 43.010 1.00 0.00 O +ATOM 9792 HW1 SOL 2740 65.795 8.020 42.410 1.00 0.00 H +ATOM 9793 HW2 SOL 2740 65.565 6.530 42.470 1.00 0.00 H +ATOM 9794 OW SOL 2741 9.220 2.580 14.750 1.00 0.00 O +ATOM 9795 HW1 SOL 2741 9.970 2.340 14.210 1.00 0.00 H +ATOM 9796 HW2 SOL 2741 9.130 3.530 14.620 1.00 0.00 H +ATOM 9797 OW SOL 2742 22.310 19.640 3.330 1.00 0.00 O +ATOM 9798 HW1 SOL 2742 21.470 19.890 3.710 1.00 0.00 H +ATOM 9799 HW2 SOL 2742 22.810 19.280 4.060 1.00 0.00 H +ATOM 9800 OW SOL 2743 44.570 23.470 26.670 1.00 0.00 O +ATOM 9801 HW1 SOL 2743 45.160 23.370 25.920 1.00 0.00 H +ATOM 9802 HW2 SOL 2743 44.260 24.370 26.610 1.00 0.00 H +ATOM 9803 OW SOL 2744 59.190 47.540 25.860 1.00 0.00 O +ATOM 9804 HW1 SOL 2744 58.480 46.900 25.800 1.00 0.00 H +ATOM 9805 HW2 SOL 2744 58.770 48.380 25.650 1.00 0.00 H +ATOM 9806 OW SOL 2745 23.080 44.200 46.830 1.00 0.00 O +ATOM 9807 HW1 SOL 2745 22.850 45.130 46.870 1.00 0.00 H +ATOM 9808 HW2 SOL 2745 22.720 43.820 47.620 1.00 0.00 H +ATOM 9809 OW SOL 2746 43.300 2.100 28.260 1.00 0.00 O +ATOM 9810 HW1 SOL 2746 43.490 2.430 27.380 1.00 0.00 H +ATOM 9811 HW2 SOL 2746 43.440 2.860 28.830 1.00 0.00 H +ATOM 9812 OW SOL 2747 54.930 41.700 29.070 1.00 0.00 O +ATOM 9813 HW1 SOL 2747 55.280 41.100 28.420 1.00 0.00 H +ATOM 9814 HW2 SOL 2747 55.690 41.930 29.610 1.00 0.00 H +ATOM 9815 OW SOL 2748 64.740 38.650 29.810 1.00 0.00 O +ATOM 9816 HW1 SOL 2748 63.860 38.970 30.010 1.00 0.00 H +ATOM 9817 HW2 SOL 2748 64.880 38.880 28.890 1.00 0.00 H +ATOM 9818 OW SOL 2749 26.160 58.090 4.130 1.00 0.00 O +ATOM 9819 HW1 SOL 2749 26.670 57.290 4.060 1.00 0.00 H +ATOM 9820 HW2 SOL 2749 25.250 57.790 4.200 1.00 0.00 H +ATOM 9821 OW SOL 2750 8.470 44.400 4.600 1.00 0.00 O +ATOM 9822 HW1 SOL 2750 9.150 44.900 4.150 1.00 0.00 H +ATOM 9823 HW2 SOL 2750 8.350 44.850 5.430 1.00 0.00 H +ATOM 9824 OW SOL 2751 51.490 45.620 37.400 1.00 0.00 O +ATOM 9825 HW1 SOL 2751 51.850 45.620 36.520 1.00 0.00 H +ATOM 9826 HW2 SOL 2751 52.160 45.170 37.930 1.00 0.00 H +ATOM 9827 OW SOL 2752 38.190 51.820 5.440 1.00 0.00 O +ATOM 9828 HW1 SOL 2752 37.970 52.060 4.540 1.00 0.00 H +ATOM 9829 HW2 SOL 2752 37.340 51.680 5.870 1.00 0.00 H +ATOM 9830 OW SOL 2753 53.470 56.740 17.380 1.00 0.00 O +ATOM 9831 HW1 SOL 2753 53.530 57.160 18.240 1.00 0.00 H +ATOM 9832 HW2 SOL 2753 52.900 57.320 16.880 1.00 0.00 H +ATOM 9833 OW SOL 2754 20.180 26.750 26.360 1.00 0.00 O +ATOM 9834 HW1 SOL 2754 19.300 26.370 26.380 1.00 0.00 H +ATOM 9835 HW2 SOL 2754 20.360 26.910 25.430 1.00 0.00 H +ATOM 9836 OW SOL 2755 50.530 61.610 4.920 1.00 0.00 O +ATOM 9837 HW1 SOL 2755 49.830 60.960 4.830 1.00 0.00 H +ATOM 9838 HW2 SOL 2755 51.140 61.410 4.210 1.00 0.00 H +ATOM 9839 OW SOL 2756 39.100 18.640 38.360 1.00 0.00 O +ATOM 9840 HW1 SOL 2756 39.980 18.560 38.000 1.00 0.00 H +ATOM 9841 HW2 SOL 2756 38.920 17.790 38.770 1.00 0.00 H +ATOM 9842 OW SOL 2757 2.830 4.910 25.820 1.00 0.00 O +ATOM 9843 HW1 SOL 2757 2.150 4.650 25.200 1.00 0.00 H +ATOM 9844 HW2 SOL 2757 2.500 4.630 26.670 1.00 0.00 H +ATOM 9845 OW SOL 2758 32.590 5.780 50.060 1.00 0.00 O +ATOM 9846 HW1 SOL 2758 32.430 4.830 50.060 1.00 0.00 H +ATOM 9847 HW2 SOL 2758 33.480 5.870 49.710 1.00 0.00 H +ATOM 9848 OW SOL 2759 13.370 3.500 23.020 1.00 0.00 O +ATOM 9849 HW1 SOL 2759 13.780 2.640 23.080 1.00 0.00 H +ATOM 9850 HW2 SOL 2759 13.060 3.690 23.900 1.00 0.00 H +ATOM 9851 OW SOL 2760 31.800 14.650 48.740 1.00 0.00 O +ATOM 9852 HW1 SOL 2760 31.510 15.480 49.130 1.00 0.00 H +ATOM 9853 HW2 SOL 2760 32.340 14.920 47.990 1.00 0.00 H +ATOM 9854 OW SOL 2761 51.410 24.560 13.630 1.00 0.00 O +ATOM 9855 HW1 SOL 2761 52.050 25.160 14.030 1.00 0.00 H +ATOM 9856 HW2 SOL 2761 51.420 24.790 12.700 1.00 0.00 H +ATOM 9857 OW SOL 2762 3.780 31.830 26.110 1.00 0.00 O +ATOM 9858 HW1 SOL 2762 3.460 31.020 26.520 1.00 0.00 H +ATOM 9859 HW2 SOL 2762 3.300 32.530 26.540 1.00 0.00 H +ATOM 9860 OW SOL 2763 4.220 38.320 23.810 1.00 0.00 O +ATOM 9861 HW1 SOL 2763 3.390 38.780 23.700 1.00 0.00 H +ATOM 9862 HW2 SOL 2763 4.880 38.940 23.500 1.00 0.00 H +ATOM 9863 OW SOL 2764 65.485 16.880 37.120 1.00 0.00 O +ATOM 9864 HW1 SOL 2764 65.625 16.040 36.690 1.00 0.00 H +ATOM 9865 HW2 SOL 2764 65.835 16.750 38.000 1.00 0.00 H +ATOM 9866 OW SOL 2765 11.550 54.390 31.480 1.00 0.00 O +ATOM 9867 HW1 SOL 2765 11.500 54.060 30.590 1.00 0.00 H +ATOM 9868 HW2 SOL 2765 11.010 55.180 31.480 1.00 0.00 H +ATOM 9869 OW SOL 2766 39.950 12.370 8.480 1.00 0.00 O +ATOM 9870 HW1 SOL 2766 40.040 11.800 9.250 1.00 0.00 H +ATOM 9871 HW2 SOL 2766 40.780 12.830 8.420 1.00 0.00 H +ATOM 9872 OW SOL 2767 3.180 44.390 51.100 1.00 0.00 O +ATOM 9873 HW1 SOL 2767 3.990 44.730 50.720 1.00 0.00 H +ATOM 9874 HW2 SOL 2767 2.640 45.170 51.260 1.00 0.00 H +ATOM 9875 OW SOL 2768 25.220 4.330 26.940 1.00 0.00 O +ATOM 9876 HW1 SOL 2768 25.450 3.840 27.730 1.00 0.00 H +ATOM 9877 HW2 SOL 2768 24.410 3.920 26.640 1.00 0.00 H +ATOM 9878 OW SOL 2769 45.500 10.410 19.270 1.00 0.00 O +ATOM 9879 HW1 SOL 2769 45.640 9.640 19.820 1.00 0.00 H +ATOM 9880 HW2 SOL 2769 45.280 11.110 19.890 1.00 0.00 H +ATOM 9881 OW SOL 2770 56.880 25.640 40.480 1.00 0.00 O +ATOM 9882 HW1 SOL 2770 56.060 25.500 40.940 1.00 0.00 H +ATOM 9883 HW2 SOL 2770 57.160 26.510 40.760 1.00 0.00 H +ATOM 9884 OW SOL 2771 26.240 42.200 9.960 1.00 0.00 O +ATOM 9885 HW1 SOL 2771 26.370 41.350 9.540 1.00 0.00 H +ATOM 9886 HW2 SOL 2771 25.430 42.100 10.450 1.00 0.00 H +ATOM 9887 OW SOL 2772 22.260 33.660 36.990 1.00 0.00 O +ATOM 9888 HW1 SOL 2772 23.060 33.340 36.570 1.00 0.00 H +ATOM 9889 HW2 SOL 2772 22.470 34.560 37.260 1.00 0.00 H +ATOM 9890 OW SOL 2773 54.810 28.970 3.230 1.00 0.00 O +ATOM 9891 HW1 SOL 2773 55.430 28.780 2.520 1.00 0.00 H +ATOM 9892 HW2 SOL 2773 54.660 28.130 3.660 1.00 0.00 H +ATOM 9893 OW SOL 2774 39.730 12.630 52.400 1.00 0.00 O +ATOM 9894 HW1 SOL 2774 39.460 11.750 52.130 1.00 0.00 H +ATOM 9895 HW2 SOL 2774 40.680 12.650 52.240 1.00 0.00 H +ATOM 9896 OW SOL 2775 55.160 37.580 21.270 1.00 0.00 O +ATOM 9897 HW1 SOL 2775 54.760 37.270 22.090 1.00 0.00 H +ATOM 9898 HW2 SOL 2775 54.930 38.510 21.230 1.00 0.00 H +ATOM 9899 OW SOL 2776 60.970 50.500 20.900 1.00 0.00 O +ATOM 9900 HW1 SOL 2776 61.030 50.040 20.060 1.00 0.00 H +ATOM 9901 HW2 SOL 2776 61.860 50.490 21.240 1.00 0.00 H +ATOM 9902 OW SOL 2777 5.510 35.090 8.230 1.00 0.00 O +ATOM 9903 HW1 SOL 2777 5.180 34.990 7.340 1.00 0.00 H +ATOM 9904 HW2 SOL 2777 4.810 34.740 8.790 1.00 0.00 H +ATOM 9905 OW SOL 2778 29.810 10.450 11.550 1.00 0.00 O +ATOM 9906 HW1 SOL 2778 30.170 10.800 10.730 1.00 0.00 H +ATOM 9907 HW2 SOL 2778 29.050 9.940 11.280 1.00 0.00 H +ATOM 9908 OW SOL 2779 19.660 15.560 26.290 1.00 0.00 O +ATOM 9909 HW1 SOL 2779 19.950 15.850 27.150 1.00 0.00 H +ATOM 9910 HW2 SOL 2779 18.840 16.010 26.140 1.00 0.00 H +ATOM 9911 OW SOL 2780 48.390 38.390 9.390 1.00 0.00 O +ATOM 9912 HW1 SOL 2780 48.790 38.910 10.080 1.00 0.00 H +ATOM 9913 HW2 SOL 2780 49.090 38.290 8.730 1.00 0.00 H +ATOM 9914 OW SOL 2781 11.230 35.500 37.380 1.00 0.00 O +ATOM 9915 HW1 SOL 2781 11.470 36.270 36.860 1.00 0.00 H +ATOM 9916 HW2 SOL 2781 11.570 35.680 38.260 1.00 0.00 H +ATOM 9917 OW SOL 2782 42.630 50.830 49.850 1.00 0.00 O +ATOM 9918 HW1 SOL 2782 41.810 51.290 49.670 1.00 0.00 H +ATOM 9919 HW2 SOL 2782 43.000 50.650 48.990 1.00 0.00 H +ATOM 9920 OW SOL 2783 10.630 54.850 5.750 1.00 0.00 O +ATOM 9921 HW1 SOL 2783 10.450 55.790 5.760 1.00 0.00 H +ATOM 9922 HW2 SOL 2783 9.860 54.470 5.320 1.00 0.00 H +ATOM 9923 OW SOL 2784 17.540 4.170 41.800 1.00 0.00 O +ATOM 9924 HW1 SOL 2784 17.930 3.520 41.220 1.00 0.00 H +ATOM 9925 HW2 SOL 2784 18.040 4.970 41.640 1.00 0.00 H +ATOM 9926 OW SOL 2785 24.150 20.390 52.900 1.00 0.00 O +ATOM 9927 HW1 SOL 2785 24.470 21.180 52.470 1.00 0.00 H +ATOM 9928 HW2 SOL 2785 23.430 20.690 53.450 1.00 0.00 H +ATOM 9929 OW SOL 2786 2.240 9.230 4.810 1.00 0.00 O +ATOM 9930 HW1 SOL 2786 2.250 10.130 5.150 1.00 0.00 H +ATOM 9931 HW2 SOL 2786 1.480 9.210 4.220 1.00 0.00 H +ATOM 9932 OW SOL 2787 45.550 6.650 36.260 1.00 0.00 O +ATOM 9933 HW1 SOL 2787 46.220 6.930 35.650 1.00 0.00 H +ATOM 9934 HW2 SOL 2787 45.450 7.390 36.860 1.00 0.00 H +ATOM 9935 OW SOL 2788 52.810 30.490 4.590 1.00 0.00 O +ATOM 9936 HW1 SOL 2788 52.170 29.780 4.560 1.00 0.00 H +ATOM 9937 HW2 SOL 2788 53.640 30.070 4.350 1.00 0.00 H +ATOM 9938 OW SOL 2789 0.240 1.810 3.900 1.00 0.00 O +ATOM 9939 HW1 SOL 2789 0.020 2.610 3.430 1.00 0.00 H +ATOM 9940 HW2 SOL 2789 0.740 2.110 4.660 1.00 0.00 H +ATOM 9941 OW SOL 2790 6.170 42.440 11.080 1.00 0.00 O +ATOM 9942 HW1 SOL 2790 5.750 42.970 10.400 1.00 0.00 H +ATOM 9943 HW2 SOL 2790 5.610 42.530 11.840 1.00 0.00 H +ATOM 9944 OW SOL 2791 31.050 9.000 48.450 1.00 0.00 O +ATOM 9945 HW1 SOL 2791 31.060 8.150 48.880 1.00 0.00 H +ATOM 9946 HW2 SOL 2791 30.820 9.620 49.150 1.00 0.00 H +ATOM 9947 OW SOL 2792 6.040 35.090 18.000 1.00 0.00 O +ATOM 9948 HW1 SOL 2792 6.350 34.500 17.320 1.00 0.00 H +ATOM 9949 HW2 SOL 2792 5.120 35.230 17.800 1.00 0.00 H +ATOM 9950 OW SOL 2793 47.260 54.700 37.340 1.00 0.00 O +ATOM 9951 HW1 SOL 2793 47.340 53.960 37.940 1.00 0.00 H +ATOM 9952 HW2 SOL 2793 47.910 54.530 36.660 1.00 0.00 H +ATOM 9953 OW SOL 2794 24.410 45.660 11.420 1.00 0.00 O +ATOM 9954 HW1 SOL 2794 24.490 45.480 12.360 1.00 0.00 H +ATOM 9955 HW2 SOL 2794 23.540 45.340 11.190 1.00 0.00 H +ATOM 9956 OW SOL 2795 54.750 2.970 9.220 1.00 0.00 O +ATOM 9957 HW1 SOL 2795 55.370 3.560 8.790 1.00 0.00 H +ATOM 9958 HW2 SOL 2795 53.950 3.050 8.710 1.00 0.00 H +ATOM 9959 OW SOL 2796 36.000 60.410 29.410 1.00 0.00 O +ATOM 9960 HW1 SOL 2796 35.460 59.620 29.360 1.00 0.00 H +ATOM 9961 HW2 SOL 2796 35.740 60.930 28.650 1.00 0.00 H +ATOM 9962 OW SOL 2797 28.190 47.500 4.300 1.00 0.00 O +ATOM 9963 HW1 SOL 2797 27.680 48.040 4.900 1.00 0.00 H +ATOM 9964 HW2 SOL 2797 28.670 48.130 3.760 1.00 0.00 H +ATOM 9965 OW SOL 2798 45.870 23.920 18.890 1.00 0.00 O +ATOM 9966 HW1 SOL 2798 46.240 23.310 19.530 1.00 0.00 H +ATOM 9967 HW2 SOL 2798 46.310 23.710 18.070 1.00 0.00 H +ATOM 9968 OW SOL 2799 55.500 45.110 6.960 1.00 0.00 O +ATOM 9969 HW1 SOL 2799 55.410 45.920 7.460 1.00 0.00 H +ATOM 9970 HW2 SOL 2799 54.630 44.710 6.980 1.00 0.00 H +ATOM 9971 OW SOL 2800 14.680 49.440 49.790 1.00 0.00 O +ATOM 9972 HW1 SOL 2800 15.390 49.940 50.190 1.00 0.00 H +ATOM 9973 HW2 SOL 2800 13.920 49.610 50.360 1.00 0.00 H +ATOM 9974 OW SOL 2801 14.070 55.360 41.580 1.00 0.00 O +ATOM 9975 HW1 SOL 2801 13.850 54.920 40.760 1.00 0.00 H +ATOM 9976 HW2 SOL 2801 14.500 56.180 41.300 1.00 0.00 H +ATOM 9977 OW SOL 2802 27.950 22.250 31.870 1.00 0.00 O +ATOM 9978 HW1 SOL 2802 28.900 22.330 31.820 1.00 0.00 H +ATOM 9979 HW2 SOL 2802 27.750 22.470 32.790 1.00 0.00 H +ATOM 9980 OW SOL 2803 64.920 6.220 16.320 1.00 0.00 O +ATOM 9981 HW1 SOL 2803 64.030 6.400 16.000 1.00 0.00 H +ATOM 9982 HW2 SOL 2803 65.140 6.980 16.850 1.00 0.00 H +ATOM 9983 OW SOL 2804 19.220 32.290 47.690 1.00 0.00 O +ATOM 9984 HW1 SOL 2804 19.830 32.060 48.380 1.00 0.00 H +ATOM 9985 HW2 SOL 2804 19.260 31.560 47.080 1.00 0.00 H +ATOM 9986 OW SOL 2805 3.090 61.240 41.060 1.00 0.00 O +ATOM 9987 HW1 SOL 2805 2.310 61.770 41.170 1.00 0.00 H +ATOM 9988 HW2 SOL 2805 2.760 60.360 40.880 1.00 0.00 H +ATOM 9989 OW SOL 2806 47.670 32.170 14.130 1.00 0.00 O +ATOM 9990 HW1 SOL 2806 47.150 31.900 14.880 1.00 0.00 H +ATOM 9991 HW2 SOL 2806 47.940 31.360 13.710 1.00 0.00 H +ATOM 9992 OW SOL 2807 5.940 40.290 4.870 1.00 0.00 O +ATOM 9993 HW1 SOL 2807 5.530 40.930 4.290 1.00 0.00 H +ATOM 9994 HW2 SOL 2807 6.860 40.540 4.890 1.00 0.00 H +ATOM 9995 OW SOL 2808 29.030 12.790 15.810 1.00 0.00 O +ATOM 9996 HW1 SOL 2808 28.830 12.840 14.870 1.00 0.00 H +ATOM 9997 HW2 SOL 2808 28.990 11.850 16.010 1.00 0.00 H +ATOM 9998 OW SOL 2809 9.070 28.120 19.850 1.00 0.00 O +ATOM 9999 HW1 SOL 2809 8.430 28.790 20.080 1.00 0.00 H +ATOM 10000 HW2 SOL 2809 8.930 27.970 18.910 1.00 0.00 H +ATOM 10001 OW SOL 2810 35.880 59.630 2.960 1.00 0.00 O +ATOM 10002 HW1 SOL 2810 36.630 59.030 2.890 1.00 0.00 H +ATOM 10003 HW2 SOL 2810 35.260 59.310 2.310 1.00 0.00 H +ATOM 10004 OW SOL 2811 50.800 56.960 22.510 1.00 0.00 O +ATOM 10005 HW1 SOL 2811 51.470 57.630 22.610 1.00 0.00 H +ATOM 10006 HW2 SOL 2811 50.020 57.450 22.240 1.00 0.00 H +ATOM 10007 OW SOL 2812 11.140 30.310 51.170 1.00 0.00 O +ATOM 10008 HW1 SOL 2812 11.960 29.850 51.010 1.00 0.00 H +ATOM 10009 HW2 SOL 2812 11.370 31.240 51.140 1.00 0.00 H +ATOM 10010 OW SOL 2813 10.780 27.670 6.660 1.00 0.00 O +ATOM 10011 HW1 SOL 2813 10.500 27.420 7.540 1.00 0.00 H +ATOM 10012 HW2 SOL 2813 11.500 28.280 6.800 1.00 0.00 H +ATOM 10013 OW SOL 2814 14.060 41.530 40.730 1.00 0.00 O +ATOM 10014 HW1 SOL 2814 14.770 41.040 41.130 1.00 0.00 H +ATOM 10015 HW2 SOL 2814 13.650 42.010 41.460 1.00 0.00 H +ATOM 10016 OW SOL 2815 43.560 2.740 3.180 1.00 0.00 O +ATOM 10017 HW1 SOL 2815 43.940 1.870 3.220 1.00 0.00 H +ATOM 10018 HW2 SOL 2815 43.850 3.090 2.330 1.00 0.00 H +ATOM 10019 OW SOL 2816 12.800 58.110 10.090 1.00 0.00 O +ATOM 10020 HW1 SOL 2816 12.520 58.120 9.180 1.00 0.00 H +ATOM 10021 HW2 SOL 2816 11.990 58.270 10.590 1.00 0.00 H +ATOM 10022 OW SOL 2817 56.690 2.630 1.390 1.00 0.00 O +ATOM 10023 HW1 SOL 2817 57.350 2.180 0.860 1.00 0.00 H +ATOM 10024 HW2 SOL 2817 55.950 2.750 0.810 1.00 0.00 H +ATOM 10025 OW SOL 2818 63.090 38.900 4.290 1.00 0.00 O +ATOM 10026 HW1 SOL 2818 62.920 38.040 4.650 1.00 0.00 H +ATOM 10027 HW2 SOL 2818 62.730 38.860 3.400 1.00 0.00 H +ATOM 10028 OW SOL 2819 28.050 40.140 51.490 1.00 0.00 O +ATOM 10029 HW1 SOL 2819 28.410 39.790 50.680 1.00 0.00 H +ATOM 10030 HW2 SOL 2819 28.770 40.090 52.120 1.00 0.00 H +ATOM 10031 OW SOL 2820 30.980 25.810 9.280 1.00 0.00 O +ATOM 10032 HW1 SOL 2820 30.630 26.440 9.920 1.00 0.00 H +ATOM 10033 HW2 SOL 2820 31.730 26.250 8.890 1.00 0.00 H +ATOM 10034 OW SOL 2821 58.800 21.970 37.830 1.00 0.00 O +ATOM 10035 HW1 SOL 2821 58.490 21.140 38.180 1.00 0.00 H +ATOM 10036 HW2 SOL 2821 59.590 22.170 38.340 1.00 0.00 H +ATOM 10037 OW SOL 2822 9.300 49.350 16.930 1.00 0.00 O +ATOM 10038 HW1 SOL 2822 8.670 49.880 17.420 1.00 0.00 H +ATOM 10039 HW2 SOL 2822 10.150 49.780 17.090 1.00 0.00 H +ATOM 10040 OW SOL 2823 62.970 47.860 10.440 1.00 0.00 O +ATOM 10041 HW1 SOL 2823 63.650 48.410 10.820 1.00 0.00 H +ATOM 10042 HW2 SOL 2823 63.010 48.040 9.500 1.00 0.00 H +ATOM 10043 OW SOL 2824 0.050 41.110 34.890 1.00 0.00 O +ATOM 10044 HW1 SOL 2824 -0.510 41.690 35.410 1.00 0.00 H +ATOM 10045 HW2 SOL 2824 0.630 40.710 35.530 1.00 0.00 H +ATOM 10046 OW SOL 2825 62.000 22.720 32.850 1.00 0.00 O +ATOM 10047 HW1 SOL 2825 61.970 23.670 32.900 1.00 0.00 H +ATOM 10048 HW2 SOL 2825 62.700 22.530 32.210 1.00 0.00 H +ATOM 10049 OW SOL 2826 33.540 5.290 26.070 1.00 0.00 O +ATOM 10050 HW1 SOL 2826 34.030 5.810 25.430 1.00 0.00 H +ATOM 10051 HW2 SOL 2826 33.840 5.600 26.920 1.00 0.00 H +ATOM 10052 OW SOL 2827 51.160 38.260 49.470 1.00 0.00 O +ATOM 10053 HW1 SOL 2827 51.950 38.580 49.900 1.00 0.00 H +ATOM 10054 HW2 SOL 2827 51.180 37.310 49.600 1.00 0.00 H +ATOM 10055 OW SOL 2828 40.020 25.080 28.370 1.00 0.00 O +ATOM 10056 HW1 SOL 2828 39.900 25.710 27.650 1.00 0.00 H +ATOM 10057 HW2 SOL 2828 40.970 25.030 28.480 1.00 0.00 H +ATOM 10058 OW SOL 2829 50.360 19.520 34.750 1.00 0.00 O +ATOM 10059 HW1 SOL 2829 51.110 19.580 34.160 1.00 0.00 H +ATOM 10060 HW2 SOL 2829 50.630 20.020 35.520 1.00 0.00 H +ATOM 10061 OW SOL 2830 40.840 21.970 29.770 1.00 0.00 O +ATOM 10062 HW1 SOL 2830 39.990 21.850 29.330 1.00 0.00 H +ATOM 10063 HW2 SOL 2830 40.770 21.460 30.570 1.00 0.00 H +ATOM 10064 OW SOL 2831 60.990 54.300 0.410 1.00 0.00 O +ATOM 10065 HW1 SOL 2831 60.200 54.800 0.620 1.00 0.00 H +ATOM 10066 HW2 SOL 2831 61.140 54.470 -0.520 1.00 0.00 H +ATOM 10067 OW SOL 2832 18.720 50.510 6.380 1.00 0.00 O +ATOM 10068 HW1 SOL 2832 18.930 49.710 5.900 1.00 0.00 H +ATOM 10069 HW2 SOL 2832 18.160 51.010 5.780 1.00 0.00 H +ATOM 10070 OW SOL 2833 11.330 27.800 26.850 1.00 0.00 O +ATOM 10071 HW1 SOL 2833 11.410 28.560 26.280 1.00 0.00 H +ATOM 10072 HW2 SOL 2833 10.750 28.090 27.560 1.00 0.00 H +ATOM 10073 OW SOL 2834 41.510 25.750 50.110 1.00 0.00 O +ATOM 10074 HW1 SOL 2834 42.390 25.530 49.790 1.00 0.00 H +ATOM 10075 HW2 SOL 2834 41.190 24.940 50.510 1.00 0.00 H +ATOM 10076 OW SOL 2835 44.290 53.380 2.930 1.00 0.00 O +ATOM 10077 HW1 SOL 2835 44.830 54.000 3.420 1.00 0.00 H +ATOM 10078 HW2 SOL 2835 43.740 52.960 3.590 1.00 0.00 H +ATOM 10079 OW SOL 2836 17.300 30.980 52.110 1.00 0.00 O +ATOM 10080 HW1 SOL 2836 16.370 30.810 52.240 1.00 0.00 H +ATOM 10081 HW2 SOL 2836 17.530 31.580 52.810 1.00 0.00 H +ATOM 10082 OW SOL 2837 0.510 3.580 32.850 1.00 0.00 O +ATOM 10083 HW1 SOL 2837 1.170 3.840 32.200 1.00 0.00 H +ATOM 10084 HW2 SOL 2837 0.940 3.710 33.700 1.00 0.00 H +ATOM 10085 OW SOL 2838 54.080 35.310 14.210 1.00 0.00 O +ATOM 10086 HW1 SOL 2838 54.080 35.660 13.320 1.00 0.00 H +ATOM 10087 HW2 SOL 2838 53.170 35.410 14.500 1.00 0.00 H +ATOM 10088 OW SOL 2839 13.330 52.410 49.340 1.00 0.00 O +ATOM 10089 HW1 SOL 2839 12.890 53.250 49.220 1.00 0.00 H +ATOM 10090 HW2 SOL 2839 13.510 52.370 50.280 1.00 0.00 H +ATOM 10091 OW SOL 2840 49.910 59.630 42.090 1.00 0.00 O +ATOM 10092 HW1 SOL 2840 50.320 59.580 41.220 1.00 0.00 H +ATOM 10093 HW2 SOL 2840 49.920 60.560 42.300 1.00 0.00 H +ATOM 10094 OW SOL 2841 50.750 45.210 49.650 1.00 0.00 O +ATOM 10095 HW1 SOL 2841 49.910 44.770 49.540 1.00 0.00 H +ATOM 10096 HW2 SOL 2841 50.660 46.040 49.180 1.00 0.00 H +ATOM 10097 OW SOL 2842 15.500 47.670 47.860 1.00 0.00 O +ATOM 10098 HW1 SOL 2842 15.080 48.330 47.310 1.00 0.00 H +ATOM 10099 HW2 SOL 2842 15.190 47.870 48.740 1.00 0.00 H +ATOM 10100 OW SOL 2843 57.000 5.040 49.620 1.00 0.00 O +ATOM 10101 HW1 SOL 2843 56.150 5.480 49.640 1.00 0.00 H +ATOM 10102 HW2 SOL 2843 57.070 4.680 48.740 1.00 0.00 H +ATOM 10103 OW SOL 2844 38.750 31.240 45.680 1.00 0.00 O +ATOM 10104 HW1 SOL 2844 38.380 30.980 46.520 1.00 0.00 H +ATOM 10105 HW2 SOL 2844 38.000 31.390 45.110 1.00 0.00 H +ATOM 10106 OW SOL 2845 58.850 27.620 53.530 1.00 0.00 O +ATOM 10107 HW1 SOL 2845 57.960 27.780 53.210 1.00 0.00 H +ATOM 10108 HW2 SOL 2845 59.120 28.450 53.910 1.00 0.00 H +ATOM 10109 OW SOL 2846 5.620 34.560 27.120 1.00 0.00 O +ATOM 10110 HW1 SOL 2846 6.270 34.120 26.570 1.00 0.00 H +ATOM 10111 HW2 SOL 2846 5.010 34.950 26.500 1.00 0.00 H +ATOM 10112 OW SOL 2847 49.950 18.410 47.070 1.00 0.00 O +ATOM 10113 HW1 SOL 2847 49.770 17.470 47.130 1.00 0.00 H +ATOM 10114 HW2 SOL 2847 50.780 18.520 47.530 1.00 0.00 H +ATOM 10115 OW SOL 2848 13.620 0.990 11.890 1.00 0.00 O +ATOM 10116 HW1 SOL 2848 13.680 0.750 10.960 1.00 0.00 H +ATOM 10117 HW2 SOL 2848 13.940 0.220 12.360 1.00 0.00 H +ATOM 10118 OW SOL 2849 62.860 54.520 16.350 1.00 0.00 O +ATOM 10119 HW1 SOL 2849 61.980 54.730 16.670 1.00 0.00 H +ATOM 10120 HW2 SOL 2849 62.710 53.950 15.600 1.00 0.00 H +ATOM 10121 OW SOL 2850 62.880 22.500 41.470 1.00 0.00 O +ATOM 10122 HW1 SOL 2850 63.770 22.550 41.830 1.00 0.00 H +ATOM 10123 HW2 SOL 2850 62.310 22.650 42.210 1.00 0.00 H +ATOM 10124 OW SOL 2851 58.710 59.130 41.750 1.00 0.00 O +ATOM 10125 HW1 SOL 2851 58.110 59.590 41.160 1.00 0.00 H +ATOM 10126 HW2 SOL 2851 58.680 58.220 41.450 1.00 0.00 H +ATOM 10127 OW SOL 2852 34.670 18.120 20.510 1.00 0.00 O +ATOM 10128 HW1 SOL 2852 34.340 18.030 19.620 1.00 0.00 H +ATOM 10129 HW2 SOL 2852 35.530 17.700 20.480 1.00 0.00 H +ATOM 10130 OW SOL 2853 47.070 35.800 6.340 1.00 0.00 O +ATOM 10131 HW1 SOL 2853 47.400 35.980 7.220 1.00 0.00 H +ATOM 10132 HW2 SOL 2853 47.130 34.840 6.260 1.00 0.00 H +ATOM 10133 OW SOL 2854 29.760 16.130 46.840 1.00 0.00 O +ATOM 10134 HW1 SOL 2854 29.850 16.050 47.790 1.00 0.00 H +ATOM 10135 HW2 SOL 2854 30.040 17.020 46.650 1.00 0.00 H +ATOM 10136 OW SOL 2855 55.000 51.040 11.850 1.00 0.00 O +ATOM 10137 HW1 SOL 2855 55.930 51.270 11.830 1.00 0.00 H +ATOM 10138 HW2 SOL 2855 54.600 51.620 11.200 1.00 0.00 H +ATOM 10139 OW SOL 2856 9.340 18.320 44.660 1.00 0.00 O +ATOM 10140 HW1 SOL 2856 9.850 18.450 45.460 1.00 0.00 H +ATOM 10141 HW2 SOL 2856 9.850 18.750 43.970 1.00 0.00 H +ATOM 10142 OW SOL 2857 41.210 56.340 4.130 1.00 0.00 O +ATOM 10143 HW1 SOL 2857 41.240 56.640 3.220 1.00 0.00 H +ATOM 10144 HW2 SOL 2857 42.090 56.530 4.470 1.00 0.00 H +ATOM 10145 OW SOL 2858 16.900 36.600 37.970 1.00 0.00 O +ATOM 10146 HW1 SOL 2858 16.360 35.950 37.530 1.00 0.00 H +ATOM 10147 HW2 SOL 2858 17.500 36.910 37.290 1.00 0.00 H +ATOM 10148 OW SOL 2859 57.550 24.370 27.600 1.00 0.00 O +ATOM 10149 HW1 SOL 2859 57.750 24.360 28.540 1.00 0.00 H +ATOM 10150 HW2 SOL 2859 58.200 23.790 27.210 1.00 0.00 H +ATOM 10151 OW SOL 2860 40.070 58.580 17.210 1.00 0.00 O +ATOM 10152 HW1 SOL 2860 40.310 58.490 16.290 1.00 0.00 H +ATOM 10153 HW2 SOL 2860 40.580 59.330 17.520 1.00 0.00 H +ATOM 10154 OW SOL 2861 14.790 10.100 33.050 1.00 0.00 O +ATOM 10155 HW1 SOL 2861 15.650 9.670 33.010 1.00 0.00 H +ATOM 10156 HW2 SOL 2861 15.000 11.020 33.170 1.00 0.00 H +ATOM 10157 OW SOL 2862 0.530 22.870 15.630 1.00 0.00 O +ATOM 10158 HW1 SOL 2862 0.050 23.610 16.020 1.00 0.00 H +ATOM 10159 HW2 SOL 2862 0.010 22.630 14.860 1.00 0.00 H +ATOM 10160 OW SOL 2863 62.240 7.840 11.170 1.00 0.00 O +ATOM 10161 HW1 SOL 2863 62.060 8.750 10.940 1.00 0.00 H +ATOM 10162 HW2 SOL 2863 61.680 7.660 11.920 1.00 0.00 H +ATOM 10163 OW SOL 2864 60.000 12.570 48.030 1.00 0.00 O +ATOM 10164 HW1 SOL 2864 59.630 12.080 47.300 1.00 0.00 H +ATOM 10165 HW2 SOL 2864 59.800 12.050 48.800 1.00 0.00 H +ATOM 10166 OW SOL 2865 40.460 7.210 29.930 1.00 0.00 O +ATOM 10167 HW1 SOL 2865 41.080 7.850 30.260 1.00 0.00 H +ATOM 10168 HW2 SOL 2865 40.480 7.320 28.980 1.00 0.00 H +ATOM 10169 OW SOL 2866 32.200 41.330 43.950 1.00 0.00 O +ATOM 10170 HW1 SOL 2866 31.900 40.430 44.070 1.00 0.00 H +ATOM 10171 HW2 SOL 2866 32.870 41.270 43.270 1.00 0.00 H +ATOM 10172 OW SOL 2867 54.560 11.170 23.120 1.00 0.00 O +ATOM 10173 HW1 SOL 2867 54.360 11.160 22.190 1.00 0.00 H +ATOM 10174 HW2 SOL 2867 53.940 10.560 23.510 1.00 0.00 H +ATOM 10175 OW SOL 2868 44.840 46.900 11.190 1.00 0.00 O +ATOM 10176 HW1 SOL 2868 44.840 47.850 11.120 1.00 0.00 H +ATOM 10177 HW2 SOL 2868 45.650 46.630 10.740 1.00 0.00 H +ATOM 10178 OW SOL 2869 1.540 31.420 44.510 1.00 0.00 O +ATOM 10179 HW1 SOL 2869 1.830 31.790 43.670 1.00 0.00 H +ATOM 10180 HW2 SOL 2869 2.320 30.990 44.860 1.00 0.00 H +ATOM 10181 OW SOL 2870 7.730 47.540 1.450 1.00 0.00 O +ATOM 10182 HW1 SOL 2870 7.350 48.420 1.550 1.00 0.00 H +ATOM 10183 HW2 SOL 2870 7.190 47.120 0.790 1.00 0.00 H +ATOM 10184 OW SOL 2871 29.560 10.520 24.280 1.00 0.00 O +ATOM 10185 HW1 SOL 2871 29.030 10.900 23.580 1.00 0.00 H +ATOM 10186 HW2 SOL 2871 29.490 9.570 24.140 1.00 0.00 H +ATOM 10187 OW SOL 2872 29.890 1.770 6.530 1.00 0.00 O +ATOM 10188 HW1 SOL 2872 29.610 2.120 5.680 1.00 0.00 H +ATOM 10189 HW2 SOL 2872 29.790 0.830 6.440 1.00 0.00 H +ATOM 10190 OW SOL 2873 8.470 6.480 8.200 1.00 0.00 O +ATOM 10191 HW1 SOL 2873 9.100 6.840 8.820 1.00 0.00 H +ATOM 10192 HW2 SOL 2873 8.180 7.230 7.680 1.00 0.00 H +ATOM 10193 OW SOL 2874 41.570 18.650 41.320 1.00 0.00 O +ATOM 10194 HW1 SOL 2874 41.920 18.010 41.940 1.00 0.00 H +ATOM 10195 HW2 SOL 2874 41.060 18.130 40.700 1.00 0.00 H +ATOM 10196 OW SOL 2875 39.750 29.380 10.330 1.00 0.00 O +ATOM 10197 HW1 SOL 2875 39.850 28.550 9.860 1.00 0.00 H +ATOM 10198 HW2 SOL 2875 40.250 30.010 9.810 1.00 0.00 H +ATOM 10199 OW SOL 2876 13.980 40.270 20.820 1.00 0.00 O +ATOM 10200 HW1 SOL 2876 13.620 41.150 20.740 1.00 0.00 H +ATOM 10201 HW2 SOL 2876 14.800 40.380 21.290 1.00 0.00 H +ATOM 10202 OW SOL 2877 57.590 37.200 17.310 1.00 0.00 O +ATOM 10203 HW1 SOL 2877 58.470 36.830 17.380 1.00 0.00 H +ATOM 10204 HW2 SOL 2877 57.060 36.500 16.950 1.00 0.00 H +ATOM 10205 OW SOL 2878 16.120 9.890 37.750 1.00 0.00 O +ATOM 10206 HW1 SOL 2878 15.630 9.520 37.020 1.00 0.00 H +ATOM 10207 HW2 SOL 2878 16.750 10.490 37.340 1.00 0.00 H +ATOM 10208 OW SOL 2879 61.550 49.740 41.230 1.00 0.00 O +ATOM 10209 HW1 SOL 2879 61.740 48.820 41.420 1.00 0.00 H +ATOM 10210 HW2 SOL 2879 60.600 49.760 41.100 1.00 0.00 H +ATOM 10211 OW SOL 2880 1.710 46.930 14.970 1.00 0.00 O +ATOM 10212 HW1 SOL 2880 2.080 47.810 15.000 1.00 0.00 H +ATOM 10213 HW2 SOL 2880 2.040 46.490 15.750 1.00 0.00 H +ATOM 10214 OW SOL 2881 6.140 2.290 42.570 1.00 0.00 O +ATOM 10215 HW1 SOL 2881 7.070 2.080 42.550 1.00 0.00 H +ATOM 10216 HW2 SOL 2881 6.020 2.750 43.400 1.00 0.00 H +ATOM 10217 OW SOL 2882 11.120 23.340 42.110 1.00 0.00 O +ATOM 10218 HW1 SOL 2882 11.220 23.580 41.190 1.00 0.00 H +ATOM 10219 HW2 SOL 2882 11.130 24.180 42.580 1.00 0.00 H +ATOM 10220 OW SOL 2883 26.040 36.920 49.650 1.00 0.00 O +ATOM 10221 HW1 SOL 2883 25.830 37.050 50.580 1.00 0.00 H +ATOM 10222 HW2 SOL 2883 25.200 36.730 49.250 1.00 0.00 H +ATOM 10223 OW SOL 2884 45.310 11.590 37.740 1.00 0.00 O +ATOM 10224 HW1 SOL 2884 44.720 11.020 37.250 1.00 0.00 H +ATOM 10225 HW2 SOL 2884 44.860 12.440 37.760 1.00 0.00 H +ATOM 10226 OW SOL 2885 12.560 4.040 8.720 1.00 0.00 O +ATOM 10227 HW1 SOL 2885 12.260 4.100 9.630 1.00 0.00 H +ATOM 10228 HW2 SOL 2885 12.360 3.140 8.460 1.00 0.00 H +ATOM 10229 OW SOL 2886 17.350 60.340 7.220 1.00 0.00 O +ATOM 10230 HW1 SOL 2886 16.800 61.050 6.880 1.00 0.00 H +ATOM 10231 HW2 SOL 2886 18.210 60.500 6.860 1.00 0.00 H +ATOM 10232 OW SOL 2887 31.490 54.580 2.060 1.00 0.00 O +ATOM 10233 HW1 SOL 2887 30.570 54.330 2.100 1.00 0.00 H +ATOM 10234 HW2 SOL 2887 31.700 54.610 1.130 1.00 0.00 H +ATOM 10235 OW SOL 2888 0.490 17.230 32.130 1.00 0.00 O +ATOM 10236 HW1 SOL 2888 0.650 16.390 32.580 1.00 0.00 H +ATOM 10237 HW2 SOL 2888 -0.460 17.260 32.030 1.00 0.00 H +ATOM 10238 OW SOL 2889 48.870 33.000 42.620 1.00 0.00 O +ATOM 10239 HW1 SOL 2889 49.720 33.400 42.790 1.00 0.00 H +ATOM 10240 HW2 SOL 2889 48.960 32.100 42.920 1.00 0.00 H +ATOM 10241 OW SOL 2890 9.960 25.660 49.600 1.00 0.00 O +ATOM 10242 HW1 SOL 2890 10.240 26.580 49.590 1.00 0.00 H +ATOM 10243 HW2 SOL 2890 9.110 25.660 49.160 1.00 0.00 H +ATOM 10244 OW SOL 2891 21.520 58.280 32.800 1.00 0.00 O +ATOM 10245 HW1 SOL 2891 21.780 57.760 33.560 1.00 0.00 H +ATOM 10246 HW2 SOL 2891 22.340 58.410 32.310 1.00 0.00 H +ATOM 10247 OW SOL 2892 14.870 36.500 46.240 1.00 0.00 O +ATOM 10248 HW1 SOL 2892 14.320 35.710 46.220 1.00 0.00 H +ATOM 10249 HW2 SOL 2892 14.910 36.780 45.320 1.00 0.00 H +ATOM 10250 OW SOL 2893 56.330 35.270 15.990 1.00 0.00 O +ATOM 10251 HW1 SOL 2893 56.520 34.350 15.780 1.00 0.00 H +ATOM 10252 HW2 SOL 2893 55.620 35.510 15.400 1.00 0.00 H +ATOM 10253 OW SOL 2894 34.990 5.870 28.440 1.00 0.00 O +ATOM 10254 HW1 SOL 2894 34.780 5.650 29.350 1.00 0.00 H +ATOM 10255 HW2 SOL 2894 34.720 6.780 28.340 1.00 0.00 H +ATOM 10256 OW SOL 2895 53.410 57.700 21.820 1.00 0.00 O +ATOM 10257 HW1 SOL 2895 53.760 57.290 21.030 1.00 0.00 H +ATOM 10258 HW2 SOL 2895 53.360 58.630 21.620 1.00 0.00 H +ATOM 10259 OW SOL 2896 64.190 46.350 8.090 1.00 0.00 O +ATOM 10260 HW1 SOL 2896 65.050 46.760 7.970 1.00 0.00 H +ATOM 10261 HW2 SOL 2896 63.560 47.030 7.860 1.00 0.00 H +ATOM 10262 OW SOL 2897 48.670 34.150 36.660 1.00 0.00 O +ATOM 10263 HW1 SOL 2897 48.840 35.040 36.970 1.00 0.00 H +ATOM 10264 HW2 SOL 2897 49.460 33.910 36.180 1.00 0.00 H +ATOM 10265 OW SOL 2898 22.890 10.500 19.450 1.00 0.00 O +ATOM 10266 HW1 SOL 2898 23.000 10.080 18.600 1.00 0.00 H +ATOM 10267 HW2 SOL 2898 21.940 10.600 19.540 1.00 0.00 H +ATOM 10268 OW SOL 2899 39.820 18.610 16.690 1.00 0.00 O +ATOM 10269 HW1 SOL 2899 40.070 19.080 17.480 1.00 0.00 H +ATOM 10270 HW2 SOL 2899 39.920 19.250 15.990 1.00 0.00 H +ATOM 10271 OW SOL 2900 36.320 6.570 25.040 1.00 0.00 O +ATOM 10272 HW1 SOL 2900 36.550 5.750 25.480 1.00 0.00 H +ATOM 10273 HW2 SOL 2900 37.070 7.140 25.210 1.00 0.00 H +ATOM 10274 OW SOL 2901 30.320 32.260 51.820 1.00 0.00 O +ATOM 10275 HW1 SOL 2901 29.600 32.500 51.240 1.00 0.00 H +ATOM 10276 HW2 SOL 2901 31.060 32.790 51.520 1.00 0.00 H +ATOM 10277 OW SOL 2902 65.120 40.130 32.300 1.00 0.00 O +ATOM 10278 HW1 SOL 2902 64.450 40.660 31.870 1.00 0.00 H +ATOM 10279 HW2 SOL 2902 65.400 40.660 33.050 1.00 0.00 H +ATOM 10280 OW SOL 2903 61.160 11.170 33.660 1.00 0.00 O +ATOM 10281 HW1 SOL 2903 61.760 11.030 32.920 1.00 0.00 H +ATOM 10282 HW2 SOL 2903 60.290 11.190 33.260 1.00 0.00 H +ATOM 10283 OW SOL 2904 27.720 25.650 52.740 1.00 0.00 O +ATOM 10284 HW1 SOL 2904 27.930 25.160 51.950 1.00 0.00 H +ATOM 10285 HW2 SOL 2904 27.650 24.990 53.420 1.00 0.00 H +ATOM 10286 OW SOL 2905 37.810 26.100 15.150 1.00 0.00 O +ATOM 10287 HW1 SOL 2905 37.000 25.590 15.250 1.00 0.00 H +ATOM 10288 HW2 SOL 2905 37.670 26.590 14.340 1.00 0.00 H +ATOM 10289 OW SOL 2906 27.860 47.280 8.510 1.00 0.00 O +ATOM 10290 HW1 SOL 2906 26.950 47.360 8.230 1.00 0.00 H +ATOM 10291 HW2 SOL 2906 27.810 46.960 9.420 1.00 0.00 H +ATOM 10292 OW SOL 2907 12.100 6.870 5.800 1.00 0.00 O +ATOM 10293 HW1 SOL 2907 11.600 6.080 5.640 1.00 0.00 H +ATOM 10294 HW2 SOL 2907 11.490 7.590 5.650 1.00 0.00 H +ATOM 10295 OW SOL 2908 8.200 47.850 9.290 1.00 0.00 O +ATOM 10296 HW1 SOL 2908 8.250 47.050 9.810 1.00 0.00 H +ATOM 10297 HW2 SOL 2908 9.010 47.860 8.770 1.00 0.00 H +ATOM 10298 OW SOL 2909 53.170 18.740 14.690 1.00 0.00 O +ATOM 10299 HW1 SOL 2909 54.040 18.780 14.280 1.00 0.00 H +ATOM 10300 HW2 SOL 2909 52.960 19.650 14.890 1.00 0.00 H +ATOM 10301 OW SOL 2910 49.630 52.660 11.450 1.00 0.00 O +ATOM 10302 HW1 SOL 2910 49.150 51.970 10.990 1.00 0.00 H +ATOM 10303 HW2 SOL 2910 49.420 53.460 10.970 1.00 0.00 H +ATOM 10304 OW SOL 2911 13.650 31.500 22.880 1.00 0.00 O +ATOM 10305 HW1 SOL 2911 14.100 32.340 22.990 1.00 0.00 H +ATOM 10306 HW2 SOL 2911 12.760 31.670 23.160 1.00 0.00 H +ATOM 10307 OW SOL 2912 34.840 33.890 13.590 1.00 0.00 O +ATOM 10308 HW1 SOL 2912 35.470 34.430 14.060 1.00 0.00 H +ATOM 10309 HW2 SOL 2912 34.430 34.500 12.970 1.00 0.00 H +ATOM 10310 OW SOL 2913 8.150 42.410 14.600 1.00 0.00 O +ATOM 10311 HW1 SOL 2913 8.130 42.500 13.650 1.00 0.00 H +ATOM 10312 HW2 SOL 2913 7.360 41.910 14.810 1.00 0.00 H +ATOM 10313 OW SOL 2914 17.730 42.830 42.230 1.00 0.00 O +ATOM 10314 HW1 SOL 2914 18.530 43.150 41.820 1.00 0.00 H +ATOM 10315 HW2 SOL 2914 17.920 42.820 43.170 1.00 0.00 H +ATOM 10316 OW SOL 2915 7.830 34.790 49.890 1.00 0.00 O +ATOM 10317 HW1 SOL 2915 7.180 34.570 50.550 1.00 0.00 H +ATOM 10318 HW2 SOL 2915 7.410 34.600 49.050 1.00 0.00 H +ATOM 10319 OW SOL 2916 61.850 13.240 0.560 1.00 0.00 O +ATOM 10320 HW1 SOL 2916 62.720 13.350 0.190 1.00 0.00 H +ATOM 10321 HW2 SOL 2916 61.320 13.910 0.110 1.00 0.00 H +ATOM 10322 OW SOL 2917 13.050 13.380 25.250 1.00 0.00 O +ATOM 10323 HW1 SOL 2917 12.600 12.540 25.290 1.00 0.00 H +ATOM 10324 HW2 SOL 2917 13.540 13.370 24.430 1.00 0.00 H +ATOM 10325 OW SOL 2918 54.180 9.900 29.880 1.00 0.00 O +ATOM 10326 HW1 SOL 2918 55.110 9.820 30.080 1.00 0.00 H +ATOM 10327 HW2 SOL 2918 53.850 9.000 29.930 1.00 0.00 H +ATOM 10328 OW SOL 2919 14.300 19.160 46.180 1.00 0.00 O +ATOM 10329 HW1 SOL 2919 13.990 18.280 45.990 1.00 0.00 H +ATOM 10330 HW2 SOL 2919 14.210 19.630 45.350 1.00 0.00 H +ATOM 10331 OW SOL 2920 25.190 6.490 10.050 1.00 0.00 O +ATOM 10332 HW1 SOL 2920 25.600 6.240 10.870 1.00 0.00 H +ATOM 10333 HW2 SOL 2920 25.890 6.440 9.400 1.00 0.00 H +ATOM 10334 OW SOL 2921 42.360 60.540 26.620 1.00 0.00 O +ATOM 10335 HW1 SOL 2921 42.690 60.550 25.720 1.00 0.00 H +ATOM 10336 HW2 SOL 2921 42.090 59.630 26.770 1.00 0.00 H +ATOM 10337 OW SOL 2922 32.050 13.840 22.140 1.00 0.00 O +ATOM 10338 HW1 SOL 2922 31.190 13.840 21.720 1.00 0.00 H +ATOM 10339 HW2 SOL 2922 32.680 13.900 21.410 1.00 0.00 H +ATOM 10340 OW SOL 2923 27.350 14.930 46.500 1.00 0.00 O +ATOM 10341 HW1 SOL 2923 28.170 15.420 46.410 1.00 0.00 H +ATOM 10342 HW2 SOL 2923 27.360 14.320 45.760 1.00 0.00 H +ATOM 10343 OW SOL 2924 15.090 15.880 51.800 1.00 0.00 O +ATOM 10344 HW1 SOL 2924 14.610 15.810 52.620 1.00 0.00 H +ATOM 10345 HW2 SOL 2924 14.510 15.510 51.140 1.00 0.00 H +ATOM 10346 OW SOL 2925 9.390 30.970 8.790 1.00 0.00 O +ATOM 10347 HW1 SOL 2925 9.490 30.680 7.880 1.00 0.00 H +ATOM 10348 HW2 SOL 2925 8.660 30.450 9.130 1.00 0.00 H +ATOM 10349 OW SOL 2926 43.690 57.130 23.160 1.00 0.00 O +ATOM 10350 HW1 SOL 2926 44.450 56.830 23.660 1.00 0.00 H +ATOM 10351 HW2 SOL 2926 43.370 56.340 22.720 1.00 0.00 H +ATOM 10352 OW SOL 2927 63.020 57.070 27.720 1.00 0.00 O +ATOM 10353 HW1 SOL 2927 63.440 56.220 27.580 1.00 0.00 H +ATOM 10354 HW2 SOL 2927 62.260 57.060 27.140 1.00 0.00 H +ATOM 10355 OW SOL 2928 26.350 0.850 21.770 1.00 0.00 O +ATOM 10356 HW1 SOL 2928 26.150 1.240 22.620 1.00 0.00 H +ATOM 10357 HW2 SOL 2928 25.520 0.450 21.490 1.00 0.00 H +ATOM 10358 OW SOL 2929 62.260 12.910 18.670 1.00 0.00 O +ATOM 10359 HW1 SOL 2929 61.880 12.040 18.530 1.00 0.00 H +ATOM 10360 HW2 SOL 2929 61.510 13.460 18.880 1.00 0.00 H +ATOM 10361 OW SOL 2930 39.810 22.050 36.050 1.00 0.00 O +ATOM 10362 HW1 SOL 2930 39.540 22.680 35.390 1.00 0.00 H +ATOM 10363 HW2 SOL 2930 39.060 21.470 36.160 1.00 0.00 H +ATOM 10364 OW SOL 2931 22.120 49.710 51.900 1.00 0.00 O +ATOM 10365 HW1 SOL 2931 22.460 49.360 52.720 1.00 0.00 H +ATOM 10366 HW2 SOL 2931 22.040 50.650 52.050 1.00 0.00 H +ATOM 10367 OW SOL 2932 12.120 45.380 23.580 1.00 0.00 O +ATOM 10368 HW1 SOL 2932 12.190 45.530 24.530 1.00 0.00 H +ATOM 10369 HW2 SOL 2932 12.410 44.470 23.460 1.00 0.00 H +ATOM 10370 OW SOL 2933 3.510 23.550 15.570 1.00 0.00 O +ATOM 10371 HW1 SOL 2933 3.390 24.380 15.110 1.00 0.00 H +ATOM 10372 HW2 SOL 2933 2.710 23.050 15.390 1.00 0.00 H +ATOM 10373 OW SOL 2934 11.850 18.890 8.890 1.00 0.00 O +ATOM 10374 HW1 SOL 2934 11.140 18.390 9.290 1.00 0.00 H +ATOM 10375 HW2 SOL 2934 11.530 19.790 8.890 1.00 0.00 H +ATOM 10376 OW SOL 2935 36.370 16.050 10.440 1.00 0.00 O +ATOM 10377 HW1 SOL 2935 35.610 15.560 10.130 1.00 0.00 H +ATOM 10378 HW2 SOL 2935 36.590 15.650 11.280 1.00 0.00 H +ATOM 10379 OW SOL 2936 12.250 1.170 25.490 1.00 0.00 O +ATOM 10380 HW1 SOL 2936 11.400 1.130 25.060 1.00 0.00 H +ATOM 10381 HW2 SOL 2936 12.300 2.050 25.870 1.00 0.00 H +ATOM 10382 OW SOL 2937 58.880 9.170 13.850 1.00 0.00 O +ATOM 10383 HW1 SOL 2937 58.270 9.300 13.130 1.00 0.00 H +ATOM 10384 HW2 SOL 2937 59.110 10.050 14.130 1.00 0.00 H +ATOM 10385 OW SOL 2938 36.330 61.240 32.010 1.00 0.00 O +ATOM 10386 HW1 SOL 2938 36.460 61.120 31.070 1.00 0.00 H +ATOM 10387 HW2 SOL 2938 37.060 61.800 32.280 1.00 0.00 H +ATOM 10388 OW SOL 2939 13.530 42.050 47.240 1.00 0.00 O +ATOM 10389 HW1 SOL 2939 13.760 42.280 46.340 1.00 0.00 H +ATOM 10390 HW2 SOL 2939 13.890 41.170 47.370 1.00 0.00 H +ATOM 10391 OW SOL 2940 57.440 38.590 35.050 1.00 0.00 O +ATOM 10392 HW1 SOL 2940 58.030 38.170 34.420 1.00 0.00 H +ATOM 10393 HW2 SOL 2940 57.130 39.380 34.600 1.00 0.00 H +ATOM 10394 OW SOL 2941 55.400 8.630 43.910 1.00 0.00 O +ATOM 10395 HW1 SOL 2941 56.120 9.170 43.590 1.00 0.00 H +ATOM 10396 HW2 SOL 2941 55.580 7.760 43.560 1.00 0.00 H +ATOM 10397 OW SOL 2942 30.500 57.360 44.560 1.00 0.00 O +ATOM 10398 HW1 SOL 2942 30.460 57.710 45.450 1.00 0.00 H +ATOM 10399 HW2 SOL 2942 30.350 58.120 44.000 1.00 0.00 H +ATOM 10400 OW SOL 2943 1.430 14.540 0.870 1.00 0.00 O +ATOM 10401 HW1 SOL 2943 1.700 13.620 0.900 1.00 0.00 H +ATOM 10402 HW2 SOL 2943 0.530 14.530 1.190 1.00 0.00 H +ATOM 10403 OW SOL 2944 60.640 51.630 12.210 1.00 0.00 O +ATOM 10404 HW1 SOL 2944 60.760 52.160 11.420 1.00 0.00 H +ATOM 10405 HW2 SOL 2944 59.700 51.460 12.260 1.00 0.00 H +ATOM 10406 OW SOL 2945 45.900 44.480 40.570 1.00 0.00 O +ATOM 10407 HW1 SOL 2945 46.070 44.410 39.630 1.00 0.00 H +ATOM 10408 HW2 SOL 2945 46.470 45.190 40.860 1.00 0.00 H +ATOM 10409 OW SOL 2946 2.210 15.930 3.340 1.00 0.00 O +ATOM 10410 HW1 SOL 2946 2.730 16.090 2.550 1.00 0.00 H +ATOM 10411 HW2 SOL 2946 1.370 15.600 3.010 1.00 0.00 H +ATOM 10412 OW SOL 2947 53.080 8.110 7.220 1.00 0.00 O +ATOM 10413 HW1 SOL 2947 53.300 8.960 6.840 1.00 0.00 H +ATOM 10414 HW2 SOL 2947 52.130 8.120 7.290 1.00 0.00 H +ATOM 10415 OW SOL 2948 54.500 2.990 0.040 1.00 0.00 O +ATOM 10416 HW1 SOL 2948 53.610 2.660 0.200 1.00 0.00 H +ATOM 10417 HW2 SOL 2948 54.430 3.930 0.160 1.00 0.00 H +ATOM 10418 OW SOL 2949 40.800 47.720 44.410 1.00 0.00 O +ATOM 10419 HW1 SOL 2949 41.220 47.390 43.620 1.00 0.00 H +ATOM 10420 HW2 SOL 2949 41.060 47.110 45.100 1.00 0.00 H +ATOM 10421 OW SOL 2950 58.330 46.440 22.370 1.00 0.00 O +ATOM 10422 HW1 SOL 2950 58.570 47.360 22.230 1.00 0.00 H +ATOM 10423 HW2 SOL 2950 57.480 46.350 21.940 1.00 0.00 H +ATOM 10424 OW SOL 2951 46.430 4.700 28.570 1.00 0.00 O +ATOM 10425 HW1 SOL 2951 46.700 3.820 28.300 1.00 0.00 H +ATOM 10426 HW2 SOL 2951 45.990 4.560 29.410 1.00 0.00 H +ATOM 10427 OW SOL 2952 43.940 6.810 41.750 1.00 0.00 O +ATOM 10428 HW1 SOL 2952 43.690 5.910 41.530 1.00 0.00 H +ATOM 10429 HW2 SOL 2952 44.700 6.990 41.200 1.00 0.00 H +ATOM 10430 OW SOL 2953 14.820 40.220 27.560 1.00 0.00 O +ATOM 10431 HW1 SOL 2953 14.680 41.120 27.250 1.00 0.00 H +ATOM 10432 HW2 SOL 2953 15.470 39.860 26.950 1.00 0.00 H +ATOM 10433 OW SOL 2954 52.250 40.580 19.790 1.00 0.00 O +ATOM 10434 HW1 SOL 2954 52.890 40.710 20.490 1.00 0.00 H +ATOM 10435 HW2 SOL 2954 51.940 41.460 19.580 1.00 0.00 H +ATOM 10436 OW SOL 2955 52.020 45.920 41.960 1.00 0.00 O +ATOM 10437 HW1 SOL 2955 51.480 45.260 41.520 1.00 0.00 H +ATOM 10438 HW2 SOL 2955 51.490 46.720 41.930 1.00 0.00 H +ATOM 10439 OW SOL 2956 26.690 37.070 5.050 1.00 0.00 O +ATOM 10440 HW1 SOL 2956 26.330 37.170 4.170 1.00 0.00 H +ATOM 10441 HW2 SOL 2956 25.930 37.070 5.620 1.00 0.00 H +ATOM 10442 OW SOL 2957 27.720 41.290 2.320 1.00 0.00 O +ATOM 10443 HW1 SOL 2957 27.260 41.900 1.740 1.00 0.00 H +ATOM 10444 HW2 SOL 2957 28.470 41.790 2.650 1.00 0.00 H +ATOM 10445 OW SOL 2958 43.480 22.240 4.110 1.00 0.00 O +ATOM 10446 HW1 SOL 2958 44.050 22.190 3.350 1.00 0.00 H +ATOM 10447 HW2 SOL 2958 44.000 21.860 4.830 1.00 0.00 H +ATOM 10448 OW SOL 2959 41.120 15.520 42.780 1.00 0.00 O +ATOM 10449 HW1 SOL 2959 41.450 14.660 43.020 1.00 0.00 H +ATOM 10450 HW2 SOL 2959 40.280 15.590 43.240 1.00 0.00 H +ATOM 10451 OW SOL 2960 14.260 15.080 2.740 1.00 0.00 O +ATOM 10452 HW1 SOL 2960 15.200 14.980 2.620 1.00 0.00 H +ATOM 10453 HW2 SOL 2960 14.170 15.600 3.540 1.00 0.00 H +ATOM 10454 OW SOL 2961 44.730 26.870 33.000 1.00 0.00 O +ATOM 10455 HW1 SOL 2961 44.990 27.320 32.190 1.00 0.00 H +ATOM 10456 HW2 SOL 2961 44.570 27.580 33.620 1.00 0.00 H +ATOM 10457 OW SOL 2962 13.500 21.190 32.970 1.00 0.00 O +ATOM 10458 HW1 SOL 2962 12.610 21.420 33.250 1.00 0.00 H +ATOM 10459 HW2 SOL 2962 14.070 21.760 33.490 1.00 0.00 H +ATOM 10460 OW SOL 2963 49.270 58.190 39.340 1.00 0.00 O +ATOM 10461 HW1 SOL 2963 48.680 58.080 38.600 1.00 0.00 H +ATOM 10462 HW2 SOL 2963 50.130 58.300 38.950 1.00 0.00 H +ATOM 10463 OW SOL 2964 11.240 1.940 7.370 1.00 0.00 O +ATOM 10464 HW1 SOL 2964 10.960 1.130 6.940 1.00 0.00 H +ATOM 10465 HW2 SOL 2964 10.440 2.280 7.780 1.00 0.00 H +ATOM 10466 OW SOL 2965 53.860 25.990 14.500 1.00 0.00 O +ATOM 10467 HW1 SOL 2965 54.110 25.780 15.390 1.00 0.00 H +ATOM 10468 HW2 SOL 2965 53.460 26.860 14.550 1.00 0.00 H +ATOM 10469 OW SOL 2966 14.650 37.060 52.020 1.00 0.00 O +ATOM 10470 HW1 SOL 2966 14.190 37.820 52.380 1.00 0.00 H +ATOM 10471 HW2 SOL 2966 14.210 36.900 51.180 1.00 0.00 H +ATOM 10472 OW SOL 2967 62.880 28.550 23.090 1.00 0.00 O +ATOM 10473 HW1 SOL 2967 62.640 28.050 22.310 1.00 0.00 H +ATOM 10474 HW2 SOL 2967 62.320 29.330 23.060 1.00 0.00 H +ATOM 10475 OW SOL 2968 9.120 49.580 29.800 1.00 0.00 O +ATOM 10476 HW1 SOL 2968 9.600 50.240 30.300 1.00 0.00 H +ATOM 10477 HW2 SOL 2968 9.480 48.740 30.090 1.00 0.00 H +ATOM 10478 OW SOL 2969 24.480 22.640 42.640 1.00 0.00 O +ATOM 10479 HW1 SOL 2969 24.850 21.760 42.660 1.00 0.00 H +ATOM 10480 HW2 SOL 2969 24.400 22.840 41.700 1.00 0.00 H +ATOM 10481 OW SOL 2970 50.930 28.590 4.540 1.00 0.00 O +ATOM 10482 HW1 SOL 2970 50.340 28.190 3.910 1.00 0.00 H +ATOM 10483 HW2 SOL 2970 51.250 27.860 5.070 1.00 0.00 H +ATOM 10484 OW SOL 2971 17.830 60.880 4.380 1.00 0.00 O +ATOM 10485 HW1 SOL 2971 17.390 61.150 3.570 1.00 0.00 H +ATOM 10486 HW2 SOL 2971 18.360 61.640 4.630 1.00 0.00 H +ATOM 10487 OW SOL 2972 51.820 15.420 18.550 1.00 0.00 O +ATOM 10488 HW1 SOL 2972 52.310 15.750 17.800 1.00 0.00 H +ATOM 10489 HW2 SOL 2972 52.020 16.040 19.260 1.00 0.00 H +ATOM 10490 OW SOL 2973 8.070 58.830 38.860 1.00 0.00 O +ATOM 10491 HW1 SOL 2973 8.100 58.220 38.130 1.00 0.00 H +ATOM 10492 HW2 SOL 2973 8.630 59.550 38.590 1.00 0.00 H +ATOM 10493 OW SOL 2974 7.740 25.590 3.210 1.00 0.00 O +ATOM 10494 HW1 SOL 2974 7.860 25.710 2.270 1.00 0.00 H +ATOM 10495 HW2 SOL 2974 7.630 24.650 3.320 1.00 0.00 H +ATOM 10496 OW SOL 2975 0.890 58.370 15.440 1.00 0.00 O +ATOM 10497 HW1 SOL 2975 0.680 59.030 16.100 1.00 0.00 H +ATOM 10498 HW2 SOL 2975 0.240 57.690 15.560 1.00 0.00 H +ATOM 10499 OW SOL 2976 43.470 30.970 52.270 1.00 0.00 O +ATOM 10500 HW1 SOL 2976 42.810 30.390 51.890 1.00 0.00 H +ATOM 10501 HW2 SOL 2976 44.040 30.380 52.770 1.00 0.00 H +ATOM 10502 OW SOL 2977 42.320 55.730 35.790 1.00 0.00 O +ATOM 10503 HW1 SOL 2977 41.980 55.500 34.930 1.00 0.00 H +ATOM 10504 HW2 SOL 2977 42.850 56.510 35.640 1.00 0.00 H +ATOM 10505 OW SOL 2978 62.420 60.400 30.960 1.00 0.00 O +ATOM 10506 HW1 SOL 2978 62.870 61.080 30.460 1.00 0.00 H +ATOM 10507 HW2 SOL 2978 62.940 59.610 30.830 1.00 0.00 H +ATOM 10508 OW SOL 2979 1.640 54.890 34.640 1.00 0.00 O +ATOM 10509 HW1 SOL 2979 0.790 54.470 34.750 1.00 0.00 H +ATOM 10510 HW2 SOL 2979 2.180 54.540 35.340 1.00 0.00 H +ATOM 10511 OW SOL 2980 58.840 60.730 5.130 1.00 0.00 O +ATOM 10512 HW1 SOL 2980 58.540 59.830 5.160 1.00 0.00 H +ATOM 10513 HW2 SOL 2980 59.640 60.710 4.610 1.00 0.00 H +ATOM 10514 OW SOL 2981 47.010 40.180 51.440 1.00 0.00 O +ATOM 10515 HW1 SOL 2981 47.690 39.730 50.930 1.00 0.00 H +ATOM 10516 HW2 SOL 2981 46.300 40.320 50.810 1.00 0.00 H +ATOM 10517 OW SOL 2982 41.500 44.170 39.770 1.00 0.00 O +ATOM 10518 HW1 SOL 2982 40.680 44.580 39.490 1.00 0.00 H +ATOM 10519 HW2 SOL 2982 41.510 43.330 39.300 1.00 0.00 H +ATOM 10520 OW SOL 2983 33.940 56.750 44.350 1.00 0.00 O +ATOM 10521 HW1 SOL 2983 34.260 57.170 45.140 1.00 0.00 H +ATOM 10522 HW2 SOL 2983 33.970 55.810 44.550 1.00 0.00 H +ATOM 10523 OW SOL 2984 18.740 36.920 35.800 1.00 0.00 O +ATOM 10524 HW1 SOL 2984 19.490 37.450 35.530 1.00 0.00 H +ATOM 10525 HW2 SOL 2984 18.600 36.310 35.080 1.00 0.00 H +ATOM 10526 OW SOL 2985 40.690 20.770 32.370 1.00 0.00 O +ATOM 10527 HW1 SOL 2985 41.240 20.230 32.940 1.00 0.00 H +ATOM 10528 HW2 SOL 2985 39.850 20.830 32.830 1.00 0.00 H +ATOM 10529 OW SOL 2986 22.910 4.480 11.670 1.00 0.00 O +ATOM 10530 HW1 SOL 2986 22.420 3.720 11.380 1.00 0.00 H +ATOM 10531 HW2 SOL 2986 22.550 5.210 11.160 1.00 0.00 H +ATOM 10532 OW SOL 2987 60.130 14.880 39.470 1.00 0.00 O +ATOM 10533 HW1 SOL 2987 60.560 14.290 38.840 1.00 0.00 H +ATOM 10534 HW2 SOL 2987 59.410 14.360 39.830 1.00 0.00 H +ATOM 10535 OW SOL 2988 50.690 46.020 22.630 1.00 0.00 O +ATOM 10536 HW1 SOL 2988 50.690 45.890 23.580 1.00 0.00 H +ATOM 10537 HW2 SOL 2988 50.790 45.140 22.270 1.00 0.00 H +ATOM 10538 OW SOL 2989 58.160 19.820 30.360 1.00 0.00 O +ATOM 10539 HW1 SOL 2989 58.540 18.970 30.130 1.00 0.00 H +ATOM 10540 HW2 SOL 2989 57.220 19.700 30.240 1.00 0.00 H +ATOM 10541 OW SOL 2990 62.530 32.720 38.200 1.00 0.00 O +ATOM 10542 HW1 SOL 2990 61.600 32.620 37.980 1.00 0.00 H +ATOM 10543 HW2 SOL 2990 62.900 31.840 38.090 1.00 0.00 H +ATOM 10544 OW SOL 2991 50.910 51.310 23.680 1.00 0.00 O +ATOM 10545 HW1 SOL 2991 50.320 51.290 22.930 1.00 0.00 H +ATOM 10546 HW2 SOL 2991 51.550 50.620 23.500 1.00 0.00 H +ATOM 10547 OW SOL 2992 16.310 12.710 15.650 1.00 0.00 O +ATOM 10548 HW1 SOL 2992 15.750 13.210 16.250 1.00 0.00 H +ATOM 10549 HW2 SOL 2992 15.700 12.270 15.060 1.00 0.00 H +ATOM 10550 OW SOL 2993 38.420 8.510 25.130 1.00 0.00 O +ATOM 10551 HW1 SOL 2993 38.960 8.870 24.420 1.00 0.00 H +ATOM 10552 HW2 SOL 2993 39.060 8.110 25.720 1.00 0.00 H +ATOM 10553 OW SOL 2994 13.610 49.440 33.100 1.00 0.00 O +ATOM 10554 HW1 SOL 2994 13.010 49.880 33.700 1.00 0.00 H +ATOM 10555 HW2 SOL 2994 14.470 49.530 33.510 1.00 0.00 H +ATOM 10556 OW SOL 2995 60.510 38.340 7.280 1.00 0.00 O +ATOM 10557 HW1 SOL 2995 61.010 39.110 7.560 1.00 0.00 H +ATOM 10558 HW2 SOL 2995 59.690 38.380 7.770 1.00 0.00 H +ATOM 10559 OW SOL 2996 38.860 29.540 17.420 1.00 0.00 O +ATOM 10560 HW1 SOL 2996 39.380 29.670 16.620 1.00 0.00 H +ATOM 10561 HW2 SOL 2996 38.930 28.600 17.600 1.00 0.00 H +ATOM 10562 OW SOL 2997 58.490 44.000 26.210 1.00 0.00 O +ATOM 10563 HW1 SOL 2997 59.320 44.260 25.800 1.00 0.00 H +ATOM 10564 HW2 SOL 2997 58.370 43.090 25.940 1.00 0.00 H +ATOM 10565 OW SOL 2998 64.770 43.920 6.940 1.00 0.00 O +ATOM 10566 HW1 SOL 2998 64.680 44.720 7.450 1.00 0.00 H +ATOM 10567 HW2 SOL 2998 65.680 43.910 6.660 1.00 0.00 H +ATOM 10568 OW SOL 2999 21.160 37.780 6.140 1.00 0.00 O +ATOM 10569 HW1 SOL 2999 21.250 38.660 5.780 1.00 0.00 H +ATOM 10570 HW2 SOL 2999 20.220 37.680 6.300 1.00 0.00 H +ATOM 10571 OW SOL 3000 1.510 0.960 10.860 1.00 0.00 O +ATOM 10572 HW1 SOL 3000 0.920 1.710 10.790 1.00 0.00 H +ATOM 10573 HW2 SOL 3000 2.310 1.330 11.230 1.00 0.00 H +ATOM 10574 OW SOL 3001 1.470 27.080 0.780 1.00 0.00 O +ATOM 10575 HW1 SOL 3001 2.030 26.890 1.530 1.00 0.00 H +ATOM 10576 HW2 SOL 3001 1.550 26.310 0.220 1.00 0.00 H +ATOM 10577 OW SOL 3002 28.160 35.050 12.040 1.00 0.00 O +ATOM 10578 HW1 SOL 3002 28.740 34.290 11.960 1.00 0.00 H +ATOM 10579 HW2 SOL 3002 28.360 35.420 12.900 1.00 0.00 H +ATOM 10580 OW SOL 3003 12.540 57.430 7.260 1.00 0.00 O +ATOM 10581 HW1 SOL 3003 13.100 57.900 6.650 1.00 0.00 H +ATOM 10582 HW2 SOL 3003 11.650 57.570 6.930 1.00 0.00 H +ATOM 10583 OW SOL 3004 13.350 46.340 51.200 1.00 0.00 O +ATOM 10584 HW1 SOL 3004 14.240 46.020 51.300 1.00 0.00 H +ATOM 10585 HW2 SOL 3004 13.340 47.170 51.680 1.00 0.00 H +ATOM 10586 OW SOL 3005 18.600 40.230 52.260 1.00 0.00 O +ATOM 10587 HW1 SOL 3005 18.250 39.920 51.430 1.00 0.00 H +ATOM 10588 HW2 SOL 3005 18.510 39.490 52.850 1.00 0.00 H +ATOM 10589 OW SOL 3006 32.040 1.460 3.980 1.00 0.00 O +ATOM 10590 HW1 SOL 3006 31.250 1.970 4.160 1.00 0.00 H +ATOM 10591 HW2 SOL 3006 31.770 0.840 3.300 1.00 0.00 H +ATOM 10592 OW SOL 3007 19.920 1.280 51.340 1.00 0.00 O +ATOM 10593 HW1 SOL 3007 20.500 0.630 50.950 1.00 0.00 H +ATOM 10594 HW2 SOL 3007 19.910 1.070 52.280 1.00 0.00 H +ATOM 10595 OW SOL 3008 22.110 23.790 4.100 1.00 0.00 O +ATOM 10596 HW1 SOL 3008 21.630 24.600 3.950 1.00 0.00 H +ATOM 10597 HW2 SOL 3008 21.620 23.120 3.620 1.00 0.00 H +ATOM 10598 OW SOL 3009 63.330 8.040 1.780 1.00 0.00 O +ATOM 10599 HW1 SOL 3009 63.480 7.350 1.140 1.00 0.00 H +ATOM 10600 HW2 SOL 3009 63.240 8.840 1.260 1.00 0.00 H +ATOM 10601 OW SOL 3010 34.430 5.640 34.330 1.00 0.00 O +ATOM 10602 HW1 SOL 3010 33.590 6.010 34.070 1.00 0.00 H +ATOM 10603 HW2 SOL 3010 34.400 5.590 35.280 1.00 0.00 H +ATOM 10604 OW SOL 3011 4.650 32.500 44.300 1.00 0.00 O +ATOM 10605 HW1 SOL 3011 4.780 31.860 43.600 1.00 0.00 H +ATOM 10606 HW2 SOL 3011 5.050 32.100 45.070 1.00 0.00 H +ATOM 10607 OW SOL 3012 41.450 37.440 11.840 1.00 0.00 O +ATOM 10608 HW1 SOL 3012 41.320 37.290 10.910 1.00 0.00 H +ATOM 10609 HW2 SOL 3012 40.950 36.750 12.270 1.00 0.00 H +ATOM 10610 OW SOL 3013 58.430 27.350 5.740 1.00 0.00 O +ATOM 10611 HW1 SOL 3013 58.480 27.210 4.800 1.00 0.00 H +ATOM 10612 HW2 SOL 3013 57.560 27.050 5.990 1.00 0.00 H +ATOM 10613 OW SOL 3014 35.000 6.160 47.080 1.00 0.00 O +ATOM 10614 HW1 SOL 3014 34.330 5.470 47.060 1.00 0.00 H +ATOM 10615 HW2 SOL 3014 35.370 6.160 46.190 1.00 0.00 H +ATOM 10616 OW SOL 3015 56.220 51.650 45.140 1.00 0.00 O +ATOM 10617 HW1 SOL 3015 56.900 52.300 44.980 1.00 0.00 H +ATOM 10618 HW2 SOL 3015 55.460 52.150 45.440 1.00 0.00 H +ATOM 10619 OW SOL 3016 64.800 7.930 12.110 1.00 0.00 O +ATOM 10620 HW1 SOL 3016 64.040 7.590 11.630 1.00 0.00 H +ATOM 10621 HW2 SOL 3016 65.310 8.390 11.440 1.00 0.00 H +ATOM 10622 OW SOL 3017 22.050 52.800 8.390 1.00 0.00 O +ATOM 10623 HW1 SOL 3017 21.320 53.180 7.900 1.00 0.00 H +ATOM 10624 HW2 SOL 3017 22.820 52.950 7.840 1.00 0.00 H +ATOM 10625 OW SOL 3018 8.620 19.680 0.780 1.00 0.00 O +ATOM 10626 HW1 SOL 3018 8.300 18.830 1.100 1.00 0.00 H +ATOM 10627 HW2 SOL 3018 8.880 20.150 1.570 1.00 0.00 H +ATOM 10628 OW SOL 3019 61.770 40.810 25.050 1.00 0.00 O +ATOM 10629 HW1 SOL 3019 62.100 39.970 25.360 1.00 0.00 H +ATOM 10630 HW2 SOL 3019 62.550 41.330 24.880 1.00 0.00 H +ATOM 10631 OW SOL 3020 21.690 7.700 8.010 1.00 0.00 O +ATOM 10632 HW1 SOL 3020 21.060 8.370 7.750 1.00 0.00 H +ATOM 10633 HW2 SOL 3020 22.540 8.050 7.740 1.00 0.00 H +ATOM 10634 OW SOL 3021 9.730 16.860 24.800 1.00 0.00 O +ATOM 10635 HW1 SOL 3021 9.110 16.280 24.370 1.00 0.00 H +ATOM 10636 HW2 SOL 3021 10.100 17.400 24.090 1.00 0.00 H +ATOM 10637 OW SOL 3022 8.750 14.260 30.280 1.00 0.00 O +ATOM 10638 HW1 SOL 3022 8.070 14.360 30.940 1.00 0.00 H +ATOM 10639 HW2 SOL 3022 8.320 13.790 29.560 1.00 0.00 H +ATOM 10640 OW SOL 3023 18.660 7.630 15.920 1.00 0.00 O +ATOM 10641 HW1 SOL 3023 18.940 6.830 15.490 1.00 0.00 H +ATOM 10642 HW2 SOL 3023 18.740 7.440 16.860 1.00 0.00 H +ATOM 10643 OW SOL 3024 62.460 43.490 17.080 1.00 0.00 O +ATOM 10644 HW1 SOL 3024 61.850 44.230 17.090 1.00 0.00 H +ATOM 10645 HW2 SOL 3024 62.050 42.850 16.500 1.00 0.00 H +ATOM 10646 OW SOL 3025 32.270 36.510 1.290 1.00 0.00 O +ATOM 10647 HW1 SOL 3025 33.000 36.930 0.830 1.00 0.00 H +ATOM 10648 HW2 SOL 3025 31.600 36.390 0.620 1.00 0.00 H +ATOM 10649 OW SOL 3026 39.440 15.490 52.580 1.00 0.00 O +ATOM 10650 HW1 SOL 3026 39.350 15.880 51.700 1.00 0.00 H +ATOM 10651 HW2 SOL 3026 39.690 14.580 52.410 1.00 0.00 H +ATOM 10652 OW SOL 3027 21.130 49.200 47.330 1.00 0.00 O +ATOM 10653 HW1 SOL 3027 20.230 49.050 47.640 1.00 0.00 H +ATOM 10654 HW2 SOL 3027 21.270 50.140 47.450 1.00 0.00 H +ATOM 10655 OW SOL 3028 8.580 5.180 14.210 1.00 0.00 O +ATOM 10656 HW1 SOL 3028 8.010 5.640 14.820 1.00 0.00 H +ATOM 10657 HW2 SOL 3028 9.460 5.500 14.410 1.00 0.00 H +ATOM 10658 OW SOL 3029 12.280 4.950 0.570 1.00 0.00 O +ATOM 10659 HW1 SOL 3029 12.630 4.340 -0.080 1.00 0.00 H +ATOM 10660 HW2 SOL 3029 11.640 4.440 1.060 1.00 0.00 H +ATOM 10661 OW SOL 3030 50.750 29.330 30.170 1.00 0.00 O +ATOM 10662 HW1 SOL 3030 50.840 28.570 30.750 1.00 0.00 H +ATOM 10663 HW2 SOL 3030 50.000 29.120 29.620 1.00 0.00 H +ATOM 10664 OW SOL 3031 52.300 53.280 25.390 1.00 0.00 O +ATOM 10665 HW1 SOL 3031 52.420 53.860 24.630 1.00 0.00 H +ATOM 10666 HW2 SOL 3031 52.040 52.440 25.010 1.00 0.00 H +ATOM 10667 OW SOL 3032 47.400 60.600 27.140 1.00 0.00 O +ATOM 10668 HW1 SOL 3032 47.410 60.550 28.100 1.00 0.00 H +ATOM 10669 HW2 SOL 3032 47.150 61.500 26.950 1.00 0.00 H +ATOM 10670 OW SOL 3033 45.800 45.930 51.710 1.00 0.00 O +ATOM 10671 HW1 SOL 3033 46.390 45.420 51.160 1.00 0.00 H +ATOM 10672 HW2 SOL 3033 46.170 45.860 52.590 1.00 0.00 H +ATOM 10673 OW SOL 3034 22.340 49.480 3.300 1.00 0.00 O +ATOM 10674 HW1 SOL 3034 22.840 49.150 2.550 1.00 0.00 H +ATOM 10675 HW2 SOL 3034 22.820 50.270 3.570 1.00 0.00 H +ATOM 10676 OW SOL 3035 37.510 5.870 30.760 1.00 0.00 O +ATOM 10677 HW1 SOL 3035 38.290 5.710 31.290 1.00 0.00 H +ATOM 10678 HW2 SOL 3035 36.830 5.320 31.150 1.00 0.00 H +ATOM 10679 OW SOL 3036 58.150 60.940 26.970 1.00 0.00 O +ATOM 10680 HW1 SOL 3036 58.130 60.040 27.290 1.00 0.00 H +ATOM 10681 HW2 SOL 3036 57.620 60.930 26.170 1.00 0.00 H +ATOM 10682 OW SOL 3037 48.390 59.620 4.300 1.00 0.00 O +ATOM 10683 HW1 SOL 3037 47.650 60.070 4.700 1.00 0.00 H +ATOM 10684 HW2 SOL 3037 48.080 59.360 3.430 1.00 0.00 H +ATOM 10685 OW SOL 3038 59.480 40.140 38.480 1.00 0.00 O +ATOM 10686 HW1 SOL 3038 59.980 40.560 37.790 1.00 0.00 H +ATOM 10687 HW2 SOL 3038 59.140 39.340 38.080 1.00 0.00 H +ATOM 10688 OW SOL 3039 59.630 34.790 20.450 1.00 0.00 O +ATOM 10689 HW1 SOL 3039 58.820 34.440 20.080 1.00 0.00 H +ATOM 10690 HW2 SOL 3039 59.790 35.590 19.960 1.00 0.00 H +ATOM 10691 OW SOL 3040 42.370 8.580 46.720 1.00 0.00 O +ATOM 10692 HW1 SOL 3040 42.570 9.420 47.120 1.00 0.00 H +ATOM 10693 HW2 SOL 3040 43.030 8.480 46.030 1.00 0.00 H +ATOM 10694 OW SOL 3041 6.060 33.540 15.760 1.00 0.00 O +ATOM 10695 HW1 SOL 3041 6.890 33.920 15.470 1.00 0.00 H +ATOM 10696 HW2 SOL 3041 5.610 33.300 14.950 1.00 0.00 H +ATOM 10697 OW SOL 3042 24.870 17.720 11.170 1.00 0.00 O +ATOM 10698 HW1 SOL 3042 25.270 18.590 11.120 1.00 0.00 H +ATOM 10699 HW2 SOL 3042 24.590 17.530 10.280 1.00 0.00 H +ATOM 10700 OW SOL 3043 57.170 39.300 4.470 1.00 0.00 O +ATOM 10701 HW1 SOL 3043 57.510 38.420 4.270 1.00 0.00 H +ATOM 10702 HW2 SOL 3043 57.890 39.890 4.250 1.00 0.00 H +ATOM 10703 OW SOL 3044 38.720 13.450 15.220 1.00 0.00 O +ATOM 10704 HW1 SOL 3044 39.460 13.450 14.600 1.00 0.00 H +ATOM 10705 HW2 SOL 3044 38.880 14.200 15.780 1.00 0.00 H +ATOM 10706 OW SOL 3045 48.380 20.090 22.690 1.00 0.00 O +ATOM 10707 HW1 SOL 3045 48.500 20.710 23.410 1.00 0.00 H +ATOM 10708 HW2 SOL 3045 47.970 19.320 23.090 1.00 0.00 H +ATOM 10709 OW SOL 3046 63.660 41.990 42.800 1.00 0.00 O +ATOM 10710 HW1 SOL 3046 64.570 41.920 43.080 1.00 0.00 H +ATOM 10711 HW2 SOL 3046 63.570 41.360 42.090 1.00 0.00 H +ATOM 10712 OW SOL 3047 55.830 15.480 9.660 1.00 0.00 O +ATOM 10713 HW1 SOL 3047 54.970 15.250 9.320 1.00 0.00 H +ATOM 10714 HW2 SOL 3047 55.920 14.950 10.460 1.00 0.00 H +ATOM 10715 OW SOL 3048 34.890 17.810 24.950 1.00 0.00 O +ATOM 10716 HW1 SOL 3048 35.840 17.720 25.080 1.00 0.00 H +ATOM 10717 HW2 SOL 3048 34.640 17.020 24.480 1.00 0.00 H +ATOM 10718 OW SOL 3049 13.700 56.100 29.840 1.00 0.00 O +ATOM 10719 HW1 SOL 3049 13.320 56.820 30.340 1.00 0.00 H +ATOM 10720 HW2 SOL 3049 14.030 55.490 30.490 1.00 0.00 H +ATOM 10721 OW SOL 3050 2.280 48.620 19.350 1.00 0.00 O +ATOM 10722 HW1 SOL 3050 2.490 49.550 19.450 1.00 0.00 H +ATOM 10723 HW2 SOL 3050 3.130 48.180 19.380 1.00 0.00 H +ATOM 10724 OW SOL 3051 42.670 48.620 40.490 1.00 0.00 O +ATOM 10725 HW1 SOL 3051 42.830 49.530 40.230 1.00 0.00 H +ATOM 10726 HW2 SOL 3051 41.730 48.500 40.410 1.00 0.00 H +ATOM 10727 OW SOL 3052 19.750 5.240 15.470 1.00 0.00 O +ATOM 10728 HW1 SOL 3052 19.460 4.760 16.250 1.00 0.00 H +ATOM 10729 HW2 SOL 3052 20.490 4.740 15.140 1.00 0.00 H +ATOM 10730 OW SOL 3053 33.880 53.630 40.700 1.00 0.00 O +ATOM 10731 HW1 SOL 3053 34.670 53.130 40.940 1.00 0.00 H +ATOM 10732 HW2 SOL 3053 34.210 54.460 40.370 1.00 0.00 H +ATOM 10733 OW SOL 3054 16.360 38.600 25.960 1.00 0.00 O +ATOM 10734 HW1 SOL 3054 15.590 38.120 25.650 1.00 0.00 H +ATOM 10735 HW2 SOL 3054 16.720 39.020 25.180 1.00 0.00 H +ATOM 10736 OW SOL 3055 54.140 5.430 3.210 1.00 0.00 O +ATOM 10737 HW1 SOL 3055 53.740 5.970 3.890 1.00 0.00 H +ATOM 10738 HW2 SOL 3055 53.520 5.450 2.480 1.00 0.00 H +ATOM 10739 OW SOL 3056 5.770 21.990 1.620 1.00 0.00 O +ATOM 10740 HW1 SOL 3056 5.750 21.610 2.500 1.00 0.00 H +ATOM 10741 HW2 SOL 3056 5.350 22.840 1.730 1.00 0.00 H +ATOM 10742 OW SOL 3057 49.170 21.430 3.020 1.00 0.00 O +ATOM 10743 HW1 SOL 3057 49.520 21.440 2.140 1.00 0.00 H +ATOM 10744 HW2 SOL 3057 48.370 20.900 2.960 1.00 0.00 H +ATOM 10745 OW SOL 3058 60.370 34.600 23.200 1.00 0.00 O +ATOM 10746 HW1 SOL 3058 60.140 35.460 23.550 1.00 0.00 H +ATOM 10747 HW2 SOL 3058 60.080 34.620 22.290 1.00 0.00 H +ATOM 10748 OW SOL 3059 52.710 8.730 36.090 1.00 0.00 O +ATOM 10749 HW1 SOL 3059 52.180 9.110 35.400 1.00 0.00 H +ATOM 10750 HW2 SOL 3059 53.580 8.630 35.700 1.00 0.00 H +ATOM 10751 OW SOL 3060 43.700 59.670 43.580 1.00 0.00 O +ATOM 10752 HW1 SOL 3060 43.280 58.990 43.060 1.00 0.00 H +ATOM 10753 HW2 SOL 3060 43.900 60.370 42.960 1.00 0.00 H +ATOM 10754 OW SOL 3061 4.270 24.060 12.040 1.00 0.00 O +ATOM 10755 HW1 SOL 3061 3.590 23.460 12.340 1.00 0.00 H +ATOM 10756 HW2 SOL 3061 4.590 23.680 11.220 1.00 0.00 H +ATOM 10757 OW SOL 3062 26.180 40.530 16.890 1.00 0.00 O +ATOM 10758 HW1 SOL 3062 25.700 41.220 16.440 1.00 0.00 H +ATOM 10759 HW2 SOL 3062 27.080 40.850 16.950 1.00 0.00 H +ATOM 10760 OW SOL 3063 62.010 23.570 36.000 1.00 0.00 O +ATOM 10761 HW1 SOL 3063 62.880 23.190 35.840 1.00 0.00 H +ATOM 10762 HW2 SOL 3063 61.470 22.820 36.240 1.00 0.00 H +ATOM 10763 OW SOL 3064 6.060 5.780 48.940 1.00 0.00 O +ATOM 10764 HW1 SOL 3064 6.280 6.010 49.850 1.00 0.00 H +ATOM 10765 HW2 SOL 3064 5.350 6.370 48.710 1.00 0.00 H +ATOM 10766 OW SOL 3065 39.540 58.510 50.850 1.00 0.00 O +ATOM 10767 HW1 SOL 3065 39.400 58.160 51.730 1.00 0.00 H +ATOM 10768 HW2 SOL 3065 38.670 58.490 50.450 1.00 0.00 H +ATOM 10769 OW SOL 3066 49.590 15.910 43.700 1.00 0.00 O +ATOM 10770 HW1 SOL 3066 49.940 15.710 42.840 1.00 0.00 H +ATOM 10771 HW2 SOL 3066 50.040 16.720 43.960 1.00 0.00 H +ATOM 10772 OW SOL 3067 35.990 44.160 3.280 1.00 0.00 O +ATOM 10773 HW1 SOL 3067 35.240 44.300 3.850 1.00 0.00 H +ATOM 10774 HW2 SOL 3067 36.060 43.210 3.200 1.00 0.00 H +ATOM 10775 OW SOL 3068 48.660 45.920 11.930 1.00 0.00 O +ATOM 10776 HW1 SOL 3068 48.550 44.970 11.990 1.00 0.00 H +ATOM 10777 HW2 SOL 3068 48.140 46.180 11.180 1.00 0.00 H +ATOM 10778 OW SOL 3069 24.290 7.140 14.630 1.00 0.00 O +ATOM 10779 HW1 SOL 3069 24.840 6.600 15.200 1.00 0.00 H +ATOM 10780 HW2 SOL 3069 23.430 6.730 14.670 1.00 0.00 H +ATOM 10781 OW SOL 3070 48.350 3.830 25.140 1.00 0.00 O +ATOM 10782 HW1 SOL 3070 48.740 3.060 24.720 1.00 0.00 H +ATOM 10783 HW2 SOL 3070 48.970 4.070 25.830 1.00 0.00 H +ATOM 10784 OW SOL 3071 50.200 11.060 30.540 1.00 0.00 O +ATOM 10785 HW1 SOL 3071 50.300 11.290 31.470 1.00 0.00 H +ATOM 10786 HW2 SOL 3071 49.780 11.830 30.150 1.00 0.00 H +ATOM 10787 OW SOL 3072 45.190 7.470 2.710 1.00 0.00 O +ATOM 10788 HW1 SOL 3072 44.460 7.620 2.100 1.00 0.00 H +ATOM 10789 HW2 SOL 3072 44.780 7.070 3.470 1.00 0.00 H +ATOM 10790 OW SOL 3073 45.800 53.360 27.610 1.00 0.00 O +ATOM 10791 HW1 SOL 3073 46.160 52.690 28.180 1.00 0.00 H +ATOM 10792 HW2 SOL 3073 46.570 53.810 27.250 1.00 0.00 H +ATOM 10793 OW SOL 3074 53.590 34.730 49.750 1.00 0.00 O +ATOM 10794 HW1 SOL 3074 53.210 34.740 50.630 1.00 0.00 H +ATOM 10795 HW2 SOL 3074 52.840 34.610 49.160 1.00 0.00 H +ATOM 10796 OW SOL 3075 3.640 18.550 12.630 1.00 0.00 O +ATOM 10797 HW1 SOL 3075 4.570 18.610 12.400 1.00 0.00 H +ATOM 10798 HW2 SOL 3075 3.480 17.610 12.740 1.00 0.00 H +ATOM 10799 OW SOL 3076 3.240 50.650 3.310 1.00 0.00 O +ATOM 10800 HW1 SOL 3076 4.130 50.370 3.110 1.00 0.00 H +ATOM 10801 HW2 SOL 3076 2.690 49.890 3.090 1.00 0.00 H +ATOM 10802 OW SOL 3077 1.070 6.780 32.180 1.00 0.00 O +ATOM 10803 HW1 SOL 3077 0.580 6.740 31.360 1.00 0.00 H +ATOM 10804 HW2 SOL 3077 1.870 6.290 32.000 1.00 0.00 H +ATOM 10805 OW SOL 3078 51.720 28.350 48.330 1.00 0.00 O +ATOM 10806 HW1 SOL 3078 51.170 27.850 48.930 1.00 0.00 H +ATOM 10807 HW2 SOL 3078 52.490 28.580 48.840 1.00 0.00 H +ATOM 10808 OW SOL 3079 10.790 21.430 34.000 1.00 0.00 O +ATOM 10809 HW1 SOL 3079 9.990 21.110 34.410 1.00 0.00 H +ATOM 10810 HW2 SOL 3079 10.540 21.640 33.100 1.00 0.00 H +ATOM 10811 OW SOL 3080 35.510 58.710 41.050 1.00 0.00 O +ATOM 10812 HW1 SOL 3080 35.910 57.840 40.920 1.00 0.00 H +ATOM 10813 HW2 SOL 3080 35.850 59.000 41.900 1.00 0.00 H +ATOM 10814 OW SOL 3081 60.350 6.520 12.960 1.00 0.00 O +ATOM 10815 HW1 SOL 3081 59.520 6.690 12.520 1.00 0.00 H +ATOM 10816 HW2 SOL 3081 60.400 5.560 13.020 1.00 0.00 H +ATOM 10817 OW SOL 3082 34.740 3.540 20.720 1.00 0.00 O +ATOM 10818 HW1 SOL 3082 35.150 4.260 20.230 1.00 0.00 H +ATOM 10819 HW2 SOL 3082 34.020 3.960 21.190 1.00 0.00 H +ATOM 10820 OW SOL 3083 24.860 2.700 1.720 1.00 0.00 O +ATOM 10821 HW1 SOL 3083 25.310 1.990 2.170 1.00 0.00 H +ATOM 10822 HW2 SOL 3083 24.440 2.280 0.970 1.00 0.00 H +ATOM 10823 OW SOL 3084 13.540 25.040 0.110 1.00 0.00 O +ATOM 10824 HW1 SOL 3084 12.860 25.570 0.520 1.00 0.00 H +ATOM 10825 HW2 SOL 3084 14.340 25.260 0.590 1.00 0.00 H +ATOM 10826 OW SOL 3085 12.420 4.390 25.490 1.00 0.00 O +ATOM 10827 HW1 SOL 3085 13.320 4.590 25.740 1.00 0.00 H +ATOM 10828 HW2 SOL 3085 12.040 5.230 25.260 1.00 0.00 H +ATOM 10829 OW SOL 3086 36.390 59.450 10.700 1.00 0.00 O +ATOM 10830 HW1 SOL 3086 36.620 58.540 10.890 1.00 0.00 H +ATOM 10831 HW2 SOL 3086 36.050 59.430 9.810 1.00 0.00 H +ATOM 10832 OW SOL 3087 24.550 13.050 48.880 1.00 0.00 O +ATOM 10833 HW1 SOL 3087 25.460 13.310 48.970 1.00 0.00 H +ATOM 10834 HW2 SOL 3087 24.530 12.520 48.080 1.00 0.00 H +ATOM 10835 OW SOL 3088 23.180 12.900 35.930 1.00 0.00 O +ATOM 10836 HW1 SOL 3088 23.460 13.670 36.430 1.00 0.00 H +ATOM 10837 HW2 SOL 3088 23.840 12.230 36.140 1.00 0.00 H +ATOM 10838 OW SOL 3089 59.620 41.430 27.030 1.00 0.00 O +ATOM 10839 HW1 SOL 3089 60.280 41.140 26.400 1.00 0.00 H +ATOM 10840 HW2 SOL 3089 60.100 41.520 27.850 1.00 0.00 H +ATOM 10841 OW SOL 3090 12.310 28.140 10.090 1.00 0.00 O +ATOM 10842 HW1 SOL 3090 12.060 28.420 10.970 1.00 0.00 H +ATOM 10843 HW2 SOL 3090 11.480 27.970 9.640 1.00 0.00 H +ATOM 10844 OW SOL 3091 32.050 14.340 41.460 1.00 0.00 O +ATOM 10845 HW1 SOL 3091 31.220 14.510 41.010 1.00 0.00 H +ATOM 10846 HW2 SOL 3091 32.710 14.440 40.780 1.00 0.00 H +ATOM 10847 OW SOL 3092 30.580 43.600 48.530 1.00 0.00 O +ATOM 10848 HW1 SOL 3092 30.490 43.100 49.350 1.00 0.00 H +ATOM 10849 HW2 SOL 3092 30.860 42.950 47.890 1.00 0.00 H +ATOM 10850 OW SOL 3093 56.170 49.320 23.730 1.00 0.00 O +ATOM 10851 HW1 SOL 3093 55.990 50.170 23.340 1.00 0.00 H +ATOM 10852 HW2 SOL 3093 56.320 49.500 24.660 1.00 0.00 H +ATOM 10853 OW SOL 3094 8.370 25.020 20.590 1.00 0.00 O +ATOM 10854 HW1 SOL 3094 7.510 25.120 20.190 1.00 0.00 H +ATOM 10855 HW2 SOL 3094 8.730 25.910 20.600 1.00 0.00 H +ATOM 10856 OW SOL 3095 20.500 6.600 2.710 1.00 0.00 O +ATOM 10857 HW1 SOL 3095 20.690 6.140 1.890 1.00 0.00 H +ATOM 10858 HW2 SOL 3095 19.580 6.400 2.890 1.00 0.00 H +ATOM 10859 OW SOL 3096 64.860 26.760 28.210 1.00 0.00 O +ATOM 10860 HW1 SOL 3096 64.960 25.810 28.130 1.00 0.00 H +ATOM 10861 HW2 SOL 3096 64.680 26.910 29.130 1.00 0.00 H +ATOM 10862 OW SOL 3097 5.330 13.460 38.050 1.00 0.00 O +ATOM 10863 HW1 SOL 3097 4.430 13.230 37.810 1.00 0.00 H +ATOM 10864 HW2 SOL 3097 5.580 14.130 37.410 1.00 0.00 H +ATOM 10865 OW SOL 3098 24.160 1.900 5.540 1.00 0.00 O +ATOM 10866 HW1 SOL 3098 24.070 2.830 5.340 1.00 0.00 H +ATOM 10867 HW2 SOL 3098 23.570 1.460 4.940 1.00 0.00 H +ATOM 10868 OW SOL 3099 39.830 35.030 0.300 1.00 0.00 O +ATOM 10869 HW1 SOL 3099 39.090 34.510 0.610 1.00 0.00 H +ATOM 10870 HW2 SOL 3099 40.530 34.830 0.920 1.00 0.00 H +ATOM 10871 OW SOL 3100 7.520 56.490 46.690 1.00 0.00 O +ATOM 10872 HW1 SOL 3100 6.810 55.880 46.820 1.00 0.00 H +ATOM 10873 HW2 SOL 3100 7.270 56.990 45.910 1.00 0.00 H +ATOM 10874 OW SOL 3101 13.080 9.120 0.150 1.00 0.00 O +ATOM 10875 HW1 SOL 3101 13.180 8.230 0.480 1.00 0.00 H +ATOM 10876 HW2 SOL 3101 13.770 9.620 0.580 1.00 0.00 H +ATOM 10877 OW SOL 3102 13.960 20.150 5.150 1.00 0.00 O +ATOM 10878 HW1 SOL 3102 14.550 19.630 5.700 1.00 0.00 H +ATOM 10879 HW2 SOL 3102 14.510 20.850 4.810 1.00 0.00 H +ATOM 10880 OW SOL 3103 27.320 11.330 23.130 1.00 0.00 O +ATOM 10881 HW1 SOL 3103 26.800 10.530 23.250 1.00 0.00 H +ATOM 10882 HW2 SOL 3103 27.350 11.450 22.180 1.00 0.00 H +ATOM 10883 OW SOL 3104 31.270 24.080 0.230 1.00 0.00 O +ATOM 10884 HW1 SOL 3104 30.620 24.010 0.930 1.00 0.00 H +ATOM 10885 HW2 SOL 3104 32.050 24.430 0.660 1.00 0.00 H +ATOM 10886 OW SOL 3105 59.870 5.570 47.370 1.00 0.00 O +ATOM 10887 HW1 SOL 3105 60.820 5.700 47.430 1.00 0.00 H +ATOM 10888 HW2 SOL 3105 59.680 5.670 46.440 1.00 0.00 H +ATOM 10889 OW SOL 3106 25.930 16.580 14.620 1.00 0.00 O +ATOM 10890 HW1 SOL 3106 25.960 15.800 15.180 1.00 0.00 H +ATOM 10891 HW2 SOL 3106 26.160 17.300 15.190 1.00 0.00 H +ATOM 10892 OW SOL 3107 38.680 39.020 1.990 1.00 0.00 O +ATOM 10893 HW1 SOL 3107 39.260 39.350 1.290 1.00 0.00 H +ATOM 10894 HW2 SOL 3107 38.270 38.240 1.610 1.00 0.00 H +ATOM 10895 OW SOL 3108 30.002 33.779 0.085 1.00 0.00 O +ATOM 10896 HW1 SOL 3108 30.732 33.779 -0.525 1.00 0.00 H +ATOM 10897 HW2 SOL 3108 29.842 34.709 0.265 1.00 0.00 H +ATOM 10898 OW SOL 3109 50.160 34.820 40.150 1.00 0.00 O +ATOM 10899 HW1 SOL 3109 50.210 34.980 41.090 1.00 0.00 H +ATOM 10900 HW2 SOL 3109 49.650 34.010 40.070 1.00 0.00 H +ATOM 10901 OW SOL 3110 33.780 32.630 8.660 1.00 0.00 O +ATOM 10902 HW1 SOL 3110 33.510 32.770 7.750 1.00 0.00 H +ATOM 10903 HW2 SOL 3110 33.190 33.180 9.180 1.00 0.00 H +ATOM 10904 OW SOL 3111 54.390 58.210 2.870 1.00 0.00 O +ATOM 10905 HW1 SOL 3111 54.700 59.100 2.750 1.00 0.00 H +ATOM 10906 HW2 SOL 3111 53.510 58.310 3.250 1.00 0.00 H +ATOM 10907 OW SOL 3112 15.140 42.320 25.340 1.00 0.00 O +ATOM 10908 HW1 SOL 3112 14.360 42.360 25.890 1.00 0.00 H +ATOM 10909 HW2 SOL 3112 15.510 43.200 25.390 1.00 0.00 H +ATOM 10910 OW SOL 3113 26.960 54.020 44.080 1.00 0.00 O +ATOM 10911 HW1 SOL 3113 26.730 53.900 43.160 1.00 0.00 H +ATOM 10912 HW2 SOL 3113 26.620 53.240 44.510 1.00 0.00 H +ATOM 10913 OW SOL 3114 43.510 58.560 18.950 1.00 0.00 O +ATOM 10914 HW1 SOL 3114 43.000 59.310 18.650 1.00 0.00 H +ATOM 10915 HW2 SOL 3114 44.370 58.690 18.560 1.00 0.00 H +ATOM 10916 OW SOL 3115 5.430 15.240 18.630 1.00 0.00 O +ATOM 10917 HW1 SOL 3115 6.220 15.190 18.090 1.00 0.00 H +ATOM 10918 HW2 SOL 3115 4.760 15.550 18.030 1.00 0.00 H +ATOM 10919 OW SOL 3116 46.210 13.860 18.380 1.00 0.00 O +ATOM 10920 HW1 SOL 3116 46.420 13.190 17.730 1.00 0.00 H +ATOM 10921 HW2 SOL 3116 45.290 13.710 18.600 1.00 0.00 H +ATOM 10922 OW SOL 3117 60.360 23.980 29.850 1.00 0.00 O +ATOM 10923 HW1 SOL 3117 60.830 23.150 29.770 1.00 0.00 H +ATOM 10924 HW2 SOL 3117 61.030 24.620 30.090 1.00 0.00 H +ATOM 10925 OW SOL 3118 32.180 1.510 7.960 1.00 0.00 O +ATOM 10926 HW1 SOL 3118 31.300 1.700 7.640 1.00 0.00 H +ATOM 10927 HW2 SOL 3118 32.580 0.990 7.260 1.00 0.00 H +ATOM 10928 OW SOL 3119 31.700 39.320 2.440 1.00 0.00 O +ATOM 10929 HW1 SOL 3119 31.670 38.500 1.940 1.00 0.00 H +ATOM 10930 HW2 SOL 3119 30.940 39.810 2.130 1.00 0.00 H +ATOM 10931 OW SOL 3120 52.520 26.500 45.280 1.00 0.00 O +ATOM 10932 HW1 SOL 3120 53.360 26.310 44.870 1.00 0.00 H +ATOM 10933 HW2 SOL 3120 52.130 27.180 44.730 1.00 0.00 H +ATOM 10934 OW SOL 3121 60.430 30.280 18.120 1.00 0.00 O +ATOM 10935 HW1 SOL 3121 60.490 30.810 18.920 1.00 0.00 H +ATOM 10936 HW2 SOL 3121 61.280 30.390 17.710 1.00 0.00 H +ATOM 10937 OW SOL 3122 49.590 58.260 6.370 1.00 0.00 O +ATOM 10938 HW1 SOL 3122 49.050 58.790 5.790 1.00 0.00 H +ATOM 10939 HW2 SOL 3122 50.240 58.870 6.720 1.00 0.00 H +ATOM 10940 OW SOL 3123 46.160 48.740 50.710 1.00 0.00 O +ATOM 10941 HW1 SOL 3123 46.140 47.870 51.120 1.00 0.00 H +ATOM 10942 HW2 SOL 3123 45.880 48.580 49.800 1.00 0.00 H +ATOM 10943 OW SOL 3124 37.130 46.510 11.330 1.00 0.00 O +ATOM 10944 HW1 SOL 3124 37.410 46.440 10.420 1.00 0.00 H +ATOM 10945 HW2 SOL 3124 37.140 47.450 11.520 1.00 0.00 H +ATOM 10946 OW SOL 3125 56.670 9.320 30.810 1.00 0.00 O +ATOM 10947 HW1 SOL 3125 57.480 9.590 30.370 1.00 0.00 H +ATOM 10948 HW2 SOL 3125 56.950 9.030 31.670 1.00 0.00 H +ATOM 10949 OW SOL 3126 43.930 34.860 21.100 1.00 0.00 O +ATOM 10950 HW1 SOL 3126 44.820 34.550 20.930 1.00 0.00 H +ATOM 10951 HW2 SOL 3126 43.810 35.570 20.470 1.00 0.00 H +ATOM 10952 OW SOL 3127 31.850 21.850 42.350 1.00 0.00 O +ATOM 10953 HW1 SOL 3127 31.670 22.480 43.050 1.00 0.00 H +ATOM 10954 HW2 SOL 3127 31.410 21.050 42.630 1.00 0.00 H +ATOM 10955 OW SOL 3128 1.990 9.940 39.280 1.00 0.00 O +ATOM 10956 HW1 SOL 3128 2.900 9.930 38.990 1.00 0.00 H +ATOM 10957 HW2 SOL 3128 1.520 10.390 38.580 1.00 0.00 H +ATOM 10958 OW SOL 3129 48.050 0.190 18.790 1.00 0.00 O +ATOM 10959 HW1 SOL 3129 47.370 0.250 19.460 1.00 0.00 H +ATOM 10960 HW2 SOL 3129 48.470 1.050 18.790 1.00 0.00 H +ATOM 10961 OW SOL 3130 55.160 31.560 31.770 1.00 0.00 O +ATOM 10962 HW1 SOL 3130 55.050 32.510 31.810 1.00 0.00 H +ATOM 10963 HW2 SOL 3130 54.510 31.210 32.380 1.00 0.00 H +ATOM 10964 OW SOL 3131 51.070 15.520 40.740 1.00 0.00 O +ATOM 10965 HW1 SOL 3131 51.440 16.350 41.050 1.00 0.00 H +ATOM 10966 HW2 SOL 3131 50.900 15.670 39.810 1.00 0.00 H +ATOM 10967 OW SOL 3132 15.840 5.630 18.260 1.00 0.00 O +ATOM 10968 HW1 SOL 3132 15.730 4.790 17.810 1.00 0.00 H +ATOM 10969 HW2 SOL 3132 16.790 5.730 18.340 1.00 0.00 H +ATOM 10970 OW SOL 3133 13.570 59.110 15.060 1.00 0.00 O +ATOM 10971 HW1 SOL 3133 14.110 59.180 14.280 1.00 0.00 H +ATOM 10972 HW2 SOL 3133 12.680 58.970 14.730 1.00 0.00 H +ATOM 10973 OW SOL 3134 23.900 21.740 45.240 1.00 0.00 O +ATOM 10974 HW1 SOL 3134 24.140 21.050 44.610 1.00 0.00 H +ATOM 10975 HW2 SOL 3134 23.950 22.550 44.730 1.00 0.00 H +ATOM 10976 OW SOL 3135 11.680 13.470 45.200 1.00 0.00 O +ATOM 10977 HW1 SOL 3135 12.530 13.590 44.770 1.00 0.00 H +ATOM 10978 HW2 SOL 3135 11.170 12.950 44.570 1.00 0.00 H +ATOM 10979 OW SOL 3136 1.860 45.510 12.670 1.00 0.00 O +ATOM 10980 HW1 SOL 3136 2.710 45.070 12.710 1.00 0.00 H +ATOM 10981 HW2 SOL 3136 1.770 45.930 13.530 1.00 0.00 H +ATOM 10982 OW SOL 3137 6.480 28.260 26.870 1.00 0.00 O +ATOM 10983 HW1 SOL 3137 6.710 28.390 25.950 1.00 0.00 H +ATOM 10984 HW2 SOL 3137 5.570 28.540 26.920 1.00 0.00 H +ATOM 10985 OW SOL 3138 4.950 4.930 20.050 1.00 0.00 O +ATOM 10986 HW1 SOL 3138 4.800 4.380 19.280 1.00 0.00 H +ATOM 10987 HW2 SOL 3138 5.650 5.530 19.790 1.00 0.00 H +ATOM 10988 OW SOL 3139 56.800 55.830 51.080 1.00 0.00 O +ATOM 10989 HW1 SOL 3139 57.670 55.810 50.680 1.00 0.00 H +ATOM 10990 HW2 SOL 3139 56.970 55.780 52.020 1.00 0.00 H +ATOM 10991 OW SOL 3140 0.310 27.960 13.490 1.00 0.00 O +ATOM 10992 HW1 SOL 3140 -0.160 28.620 14.000 1.00 0.00 H +ATOM 10993 HW2 SOL 3140 0.810 27.460 14.140 1.00 0.00 H +ATOM 10994 OW SOL 3141 33.870 20.160 23.180 1.00 0.00 O +ATOM 10995 HW1 SOL 3141 34.720 20.380 22.780 1.00 0.00 H +ATOM 10996 HW2 SOL 3141 34.070 19.440 23.780 1.00 0.00 H +ATOM 10997 OW SOL 3142 21.000 31.010 53.540 1.00 0.00 O +ATOM 10998 HW1 SOL 3142 20.850 31.590 52.800 1.00 0.00 H +ATOM 10999 HW2 SOL 3142 21.130 30.140 53.150 1.00 0.00 H +ATOM 11000 OW SOL 3143 6.900 9.570 17.430 1.00 0.00 O +ATOM 11001 HW1 SOL 3143 6.080 9.960 17.750 1.00 0.00 H +ATOM 11002 HW2 SOL 3143 6.940 9.820 16.510 1.00 0.00 H +ATOM 11003 OW SOL 3144 34.640 3.160 51.720 1.00 0.00 O +ATOM 11004 HW1 SOL 3144 34.530 2.810 52.600 1.00 0.00 H +ATOM 11005 HW2 SOL 3144 35.470 3.640 51.750 1.00 0.00 H +ATOM 11006 OW SOL 3145 44.000 24.570 37.730 1.00 0.00 O +ATOM 11007 HW1 SOL 3145 43.410 24.320 38.440 1.00 0.00 H +ATOM 11008 HW2 SOL 3145 44.650 23.870 37.700 1.00 0.00 H +ATOM 11009 OW SOL 3146 44.960 30.310 14.450 1.00 0.00 O +ATOM 11010 HW1 SOL 3146 45.330 30.240 15.330 1.00 0.00 H +ATOM 11011 HW2 SOL 3146 45.440 29.650 13.940 1.00 0.00 H +ATOM 11012 OW SOL 3147 24.960 27.290 50.550 1.00 0.00 O +ATOM 11013 HW1 SOL 3147 25.450 27.990 50.120 1.00 0.00 H +ATOM 11014 HW2 SOL 3147 25.270 26.490 50.130 1.00 0.00 H +ATOM 11015 OW SOL 3148 25.640 23.640 6.470 1.00 0.00 O +ATOM 11016 HW1 SOL 3148 26.280 23.710 7.170 1.00 0.00 H +ATOM 11017 HW2 SOL 3148 25.090 24.430 6.560 1.00 0.00 H +ATOM 11018 OW SOL 3149 31.570 0.000 20.590 1.00 0.00 O +ATOM 11019 HW1 SOL 3149 31.930 0.510 19.860 1.00 0.00 H +ATOM 11020 HW2 SOL 3149 31.550 0.610 21.330 1.00 0.00 H +ATOM 11021 OW SOL 3150 15.150 43.300 48.850 1.00 0.00 O +ATOM 11022 HW1 SOL 3150 15.520 43.890 48.190 1.00 0.00 H +ATOM 11023 HW2 SOL 3150 14.550 42.740 48.360 1.00 0.00 H +ATOM 11024 OW SOL 3151 49.570 42.850 16.500 1.00 0.00 O +ATOM 11025 HW1 SOL 3151 50.470 42.580 16.680 1.00 0.00 H +ATOM 11026 HW2 SOL 3151 49.500 42.810 15.550 1.00 0.00 H +ATOM 11027 OW SOL 3152 36.490 10.240 50.590 1.00 0.00 O +ATOM 11028 HW1 SOL 3152 36.640 11.180 50.510 1.00 0.00 H +ATOM 11029 HW2 SOL 3152 36.170 10.110 51.480 1.00 0.00 H +ATOM 11030 OW SOL 3153 39.230 8.140 11.740 1.00 0.00 O +ATOM 11031 HW1 SOL 3153 39.560 7.540 12.410 1.00 0.00 H +ATOM 11032 HW2 SOL 3153 38.820 7.570 11.090 1.00 0.00 H +ATOM 11033 OW SOL 3154 10.890 20.780 38.590 1.00 0.00 O +ATOM 11034 HW1 SOL 3154 11.230 21.240 37.830 1.00 0.00 H +ATOM 11035 HW2 SOL 3154 10.230 20.190 38.230 1.00 0.00 H +ATOM 11036 OW SOL 3155 63.500 27.900 6.570 1.00 0.00 O +ATOM 11037 HW1 SOL 3155 63.470 27.910 7.530 1.00 0.00 H +ATOM 11038 HW2 SOL 3155 64.290 28.380 6.350 1.00 0.00 H +ATOM 11039 OW SOL 3156 30.500 25.410 28.770 1.00 0.00 O +ATOM 11040 HW1 SOL 3156 30.750 25.400 27.850 1.00 0.00 H +ATOM 11041 HW2 SOL 3156 30.040 24.580 28.910 1.00 0.00 H +ATOM 11042 OW SOL 3157 13.940 25.760 15.120 1.00 0.00 O +ATOM 11043 HW1 SOL 3157 14.160 26.690 15.010 1.00 0.00 H +ATOM 11044 HW2 SOL 3157 13.240 25.760 15.770 1.00 0.00 H +ATOM 11045 OW SOL 3158 31.120 19.270 43.130 1.00 0.00 O +ATOM 11046 HW1 SOL 3158 31.730 18.800 43.700 1.00 0.00 H +ATOM 11047 HW2 SOL 3158 31.520 19.220 42.260 1.00 0.00 H +ATOM 11048 OW SOL 3159 40.140 52.430 48.840 1.00 0.00 O +ATOM 11049 HW1 SOL 3159 39.580 52.550 48.070 1.00 0.00 H +ATOM 11050 HW2 SOL 3159 40.220 53.310 49.210 1.00 0.00 H +ATOM 11051 OW SOL 3160 31.110 13.250 3.020 1.00 0.00 O +ATOM 11052 HW1 SOL 3160 31.300 12.520 2.420 1.00 0.00 H +ATOM 11053 HW2 SOL 3160 30.300 12.990 3.460 1.00 0.00 H +ATOM 11054 OW SOL 3161 19.860 59.160 4.750 1.00 0.00 O +ATOM 11055 HW1 SOL 3161 19.200 59.740 4.380 1.00 0.00 H +ATOM 11056 HW2 SOL 3161 20.030 59.510 5.620 1.00 0.00 H +ATOM 11057 OW SOL 3162 21.190 54.840 50.550 1.00 0.00 O +ATOM 11058 HW1 SOL 3162 20.260 55.010 50.690 1.00 0.00 H +ATOM 11059 HW2 SOL 3162 21.570 55.720 50.440 1.00 0.00 H +ATOM 11060 OW SOL 3163 16.200 23.900 38.980 1.00 0.00 O +ATOM 11061 HW1 SOL 3163 16.380 24.680 39.510 1.00 0.00 H +ATOM 11062 HW2 SOL 3163 15.250 23.800 39.020 1.00 0.00 H +ATOM 11063 OW SOL 3164 23.320 9.500 28.170 1.00 0.00 O +ATOM 11064 HW1 SOL 3164 23.680 9.970 28.920 1.00 0.00 H +ATOM 11065 HW2 SOL 3164 22.370 9.540 28.300 1.00 0.00 H +ATOM 11066 OW SOL 3165 41.090 48.900 4.880 1.00 0.00 O +ATOM 11067 HW1 SOL 3165 40.210 49.030 4.520 1.00 0.00 H +ATOM 11068 HW2 SOL 3165 41.620 48.640 4.130 1.00 0.00 H +ATOM 11069 OW SOL 3166 9.060 18.610 49.170 1.00 0.00 O +ATOM 11070 HW1 SOL 3166 8.190 18.970 49.330 1.00 0.00 H +ATOM 11071 HW2 SOL 3166 9.570 18.870 49.940 1.00 0.00 H +ATOM 11072 OW SOL 3167 21.500 35.000 18.220 1.00 0.00 O +ATOM 11073 HW1 SOL 3167 21.880 35.550 17.540 1.00 0.00 H +ATOM 11074 HW2 SOL 3167 21.470 34.120 17.840 1.00 0.00 H +ATOM 11075 OW SOL 3168 15.230 3.170 8.220 1.00 0.00 O +ATOM 11076 HW1 SOL 3168 15.520 3.100 9.120 1.00 0.00 H +ATOM 11077 HW2 SOL 3168 14.270 3.110 8.270 1.00 0.00 H +ATOM 11078 OW SOL 3169 57.410 13.210 51.000 1.00 0.00 O +ATOM 11079 HW1 SOL 3169 58.020 13.950 51.010 1.00 0.00 H +ATOM 11080 HW2 SOL 3169 56.800 13.400 51.710 1.00 0.00 H +ATOM 11081 OW SOL 3170 16.670 56.880 16.030 1.00 0.00 O +ATOM 11082 HW1 SOL 3170 16.340 56.210 16.640 1.00 0.00 H +ATOM 11083 HW2 SOL 3170 17.490 57.180 16.420 1.00 0.00 H +ATOM 11084 OW SOL 3171 51.110 56.470 19.510 1.00 0.00 O +ATOM 11085 HW1 SOL 3171 51.470 57.350 19.380 1.00 0.00 H +ATOM 11086 HW2 SOL 3171 51.450 56.200 20.360 1.00 0.00 H +ATOM 11087 OW SOL 3172 32.280 22.690 50.410 1.00 0.00 O +ATOM 11088 HW1 SOL 3172 33.130 23.120 50.430 1.00 0.00 H +ATOM 11089 HW2 SOL 3172 31.960 22.840 49.520 1.00 0.00 H +ATOM 11090 OW SOL 3173 36.830 12.490 46.510 1.00 0.00 O +ATOM 11091 HW1 SOL 3173 37.350 11.890 47.050 1.00 0.00 H +ATOM 11092 HW2 SOL 3173 36.970 12.180 45.610 1.00 0.00 H +ATOM 11093 OW SOL 3174 38.420 36.580 14.110 1.00 0.00 O +ATOM 11094 HW1 SOL 3174 38.940 36.070 13.490 1.00 0.00 H +ATOM 11095 HW2 SOL 3174 37.720 35.980 14.380 1.00 0.00 H +ATOM 11096 OW SOL 3175 13.930 43.970 37.950 1.00 0.00 O +ATOM 11097 HW1 SOL 3175 14.530 44.700 38.020 1.00 0.00 H +ATOM 11098 HW2 SOL 3175 13.490 44.100 37.110 1.00 0.00 H +ATOM 11099 OW SOL 3176 4.640 8.750 24.900 1.00 0.00 O +ATOM 11100 HW1 SOL 3176 3.950 8.860 25.540 1.00 0.00 H +ATOM 11101 HW2 SOL 3176 5.180 9.530 24.990 1.00 0.00 H +ATOM 11102 OW SOL 3177 5.150 10.710 29.950 1.00 0.00 O +ATOM 11103 HW1 SOL 3177 5.270 11.470 29.370 1.00 0.00 H +ATOM 11104 HW2 SOL 3177 4.300 10.350 29.710 1.00 0.00 H +ATOM 11105 OW SOL 3178 8.330 44.570 27.850 1.00 0.00 O +ATOM 11106 HW1 SOL 3178 7.650 45.050 27.370 1.00 0.00 H +ATOM 11107 HW2 SOL 3178 8.670 43.940 27.210 1.00 0.00 H +ATOM 11108 OW SOL 3179 13.700 24.200 26.860 1.00 0.00 O +ATOM 11109 HW1 SOL 3179 13.990 23.500 26.280 1.00 0.00 H +ATOM 11110 HW2 SOL 3179 13.150 23.750 27.510 1.00 0.00 H +ATOM 11111 OW SOL 3180 61.850 34.330 6.210 1.00 0.00 O +ATOM 11112 HW1 SOL 3180 61.190 33.650 6.050 1.00 0.00 H +ATOM 11113 HW2 SOL 3180 62.390 33.980 6.920 1.00 0.00 H +ATOM 11114 OW SOL 3181 0.620 34.100 47.910 1.00 0.00 O +ATOM 11115 HW1 SOL 3181 1.110 33.510 47.340 1.00 0.00 H +ATOM 11116 HW2 SOL 3181 0.950 34.970 47.700 1.00 0.00 H +ATOM 11117 OW SOL 3182 25.150 22.580 33.460 1.00 0.00 O +ATOM 11118 HW1 SOL 3182 25.830 22.900 34.050 1.00 0.00 H +ATOM 11119 HW2 SOL 3182 25.420 21.690 33.250 1.00 0.00 H +ATOM 11120 OW SOL 3183 59.190 44.330 41.050 1.00 0.00 O +ATOM 11121 HW1 SOL 3183 58.440 44.460 40.470 1.00 0.00 H +ATOM 11122 HW2 SOL 3183 59.420 45.210 41.350 1.00 0.00 H +ATOM 11123 OW SOL 3184 53.180 57.490 7.720 1.00 0.00 O +ATOM 11124 HW1 SOL 3184 52.630 58.270 7.740 1.00 0.00 H +ATOM 11125 HW2 SOL 3184 54.060 57.820 7.520 1.00 0.00 H +ATOM 11126 OW SOL 3185 35.370 3.900 36.850 1.00 0.00 O +ATOM 11127 HW1 SOL 3185 36.100 3.300 37.030 1.00 0.00 H +ATOM 11128 HW2 SOL 3185 34.810 3.420 36.230 1.00 0.00 H +ATOM 11129 OW SOL 3186 65.050 49.470 34.880 1.00 0.00 O +ATOM 11130 HW1 SOL 3186 65.520 50.280 35.080 1.00 0.00 H +ATOM 11131 HW2 SOL 3186 64.860 49.090 35.740 1.00 0.00 H +ATOM 11132 OW SOL 3187 24.400 23.570 29.230 1.00 0.00 O +ATOM 11133 HW1 SOL 3187 24.880 24.000 28.530 1.00 0.00 H +ATOM 11134 HW2 SOL 3187 24.600 24.070 30.020 1.00 0.00 H +ATOM 11135 OW SOL 3188 30.220 39.660 12.170 1.00 0.00 O +ATOM 11136 HW1 SOL 3188 29.910 39.780 13.070 1.00 0.00 H +ATOM 11137 HW2 SOL 3188 29.780 38.870 11.870 1.00 0.00 H +ATOM 11138 OW SOL 3189 61.170 27.390 17.210 1.00 0.00 O +ATOM 11139 HW1 SOL 3189 60.800 28.030 17.810 1.00 0.00 H +ATOM 11140 HW2 SOL 3189 60.880 27.680 16.340 1.00 0.00 H +ATOM 11141 OW SOL 3190 56.630 54.330 19.590 1.00 0.00 O +ATOM 11142 HW1 SOL 3190 57.290 53.870 20.100 1.00 0.00 H +ATOM 11143 HW2 SOL 3190 56.150 53.630 19.130 1.00 0.00 H +ATOM 11144 OW SOL 3191 12.000 3.160 4.130 1.00 0.00 O +ATOM 11145 HW1 SOL 3191 11.440 3.260 3.350 1.00 0.00 H +ATOM 11146 HW2 SOL 3191 11.480 3.550 4.840 1.00 0.00 H +ATOM 11147 OW SOL 3192 29.250 29.270 33.950 1.00 0.00 O +ATOM 11148 HW1 SOL 3192 28.740 29.490 33.160 1.00 0.00 H +ATOM 11149 HW2 SOL 3192 29.830 30.020 34.070 1.00 0.00 H +ATOM 11150 OW SOL 3193 27.900 0.280 1.540 1.00 0.00 O +ATOM 11151 HW1 SOL 3193 27.130 -0.010 2.020 1.00 0.00 H +ATOM 11152 HW2 SOL 3193 27.800 1.230 1.470 1.00 0.00 H +ATOM 11153 OW SOL 3194 20.290 51.840 3.090 1.00 0.00 O +ATOM 11154 HW1 SOL 3194 21.140 51.600 3.440 1.00 0.00 H +ATOM 11155 HW2 SOL 3194 20.350 51.650 2.150 1.00 0.00 H +ATOM 11156 OW SOL 3195 62.900 6.220 28.110 1.00 0.00 O +ATOM 11157 HW1 SOL 3195 63.250 5.630 27.450 1.00 0.00 H +ATOM 11158 HW2 SOL 3195 62.820 5.690 28.900 1.00 0.00 H +ATOM 11159 OW SOL 3196 7.100 44.280 42.950 1.00 0.00 O +ATOM 11160 HW1 SOL 3196 7.320 45.200 43.100 1.00 0.00 H +ATOM 11161 HW2 SOL 3196 7.910 43.810 43.140 1.00 0.00 H +ATOM 11162 OW SOL 3197 2.960 21.740 19.550 1.00 0.00 O +ATOM 11163 HW1 SOL 3197 3.750 22.170 19.860 1.00 0.00 H +ATOM 11164 HW2 SOL 3197 3.100 21.620 18.610 1.00 0.00 H +ATOM 11165 OW SOL 3198 57.650 58.110 47.000 1.00 0.00 O +ATOM 11166 HW1 SOL 3198 56.920 58.490 46.520 1.00 0.00 H +ATOM 11167 HW2 SOL 3198 58.270 58.840 47.100 1.00 0.00 H +ATOM 11168 OW SOL 3199 44.990 38.580 39.290 1.00 0.00 O +ATOM 11169 HW1 SOL 3199 45.480 38.440 38.480 1.00 0.00 H +ATOM 11170 HW2 SOL 3199 44.290 39.180 39.050 1.00 0.00 H +ATOM 11171 OW SOL 3200 23.440 58.300 3.880 1.00 0.00 O +ATOM 11172 HW1 SOL 3200 23.070 58.160 4.760 1.00 0.00 H +ATOM 11173 HW2 SOL 3200 23.330 59.240 3.730 1.00 0.00 H +ATOM 11174 OW SOL 3201 13.130 29.790 20.770 1.00 0.00 O +ATOM 11175 HW1 SOL 3201 13.130 28.920 21.160 1.00 0.00 H +ATOM 11176 HW2 SOL 3201 13.390 30.380 21.480 1.00 0.00 H +ATOM 11177 OW SOL 3202 30.020 56.860 49.210 1.00 0.00 O +ATOM 11178 HW1 SOL 3202 30.470 57.420 49.840 1.00 0.00 H +ATOM 11179 HW2 SOL 3202 29.120 57.170 49.220 1.00 0.00 H +ATOM 11180 OW SOL 3203 20.460 12.060 31.160 1.00 0.00 O +ATOM 11181 HW1 SOL 3203 20.440 12.550 31.980 1.00 0.00 H +ATOM 11182 HW2 SOL 3203 20.030 11.230 31.360 1.00 0.00 H +ATOM 11183 OW SOL 3204 26.940 25.430 2.790 1.00 0.00 O +ATOM 11184 HW1 SOL 3204 27.330 24.720 2.290 1.00 0.00 H +ATOM 11185 HW2 SOL 3204 26.020 25.180 2.900 1.00 0.00 H +ATOM 11186 OW SOL 3205 36.980 61.150 36.880 1.00 0.00 O +ATOM 11187 HW1 SOL 3205 37.130 60.810 35.990 1.00 0.00 H +ATOM 11188 HW2 SOL 3205 36.040 61.310 36.920 1.00 0.00 H +ATOM 11189 OW SOL 3206 65.160 50.430 7.310 1.00 0.00 O +ATOM 11190 HW1 SOL 3206 65.940 50.430 7.870 1.00 0.00 H +ATOM 11191 HW2 SOL 3206 65.480 50.190 6.440 1.00 0.00 H +ATOM 11192 OW SOL 3207 10.350 13.580 37.100 1.00 0.00 O +ATOM 11193 HW1 SOL 3207 10.240 12.730 37.520 1.00 0.00 H +ATOM 11194 HW2 SOL 3207 9.600 14.090 37.400 1.00 0.00 H +ATOM 11195 OW SOL 3208 10.500 48.540 6.460 1.00 0.00 O +ATOM 11196 HW1 SOL 3208 10.890 49.410 6.410 1.00 0.00 H +ATOM 11197 HW2 SOL 3208 11.110 48.030 6.980 1.00 0.00 H +ATOM 11198 OW SOL 3209 26.024 61.552 34.320 1.00 0.00 O +ATOM 11199 HW1 SOL 3209 26.484 62.392 34.280 1.00 0.00 H +ATOM 11200 HW2 SOL 3209 25.104 61.792 34.410 1.00 0.00 H +ATOM 11201 OW SOL 3210 7.840 15.160 17.190 1.00 0.00 O +ATOM 11202 HW1 SOL 3210 7.660 14.790 16.320 1.00 0.00 H +ATOM 11203 HW2 SOL 3210 8.590 14.650 17.510 1.00 0.00 H +ATOM 11204 OW SOL 3211 32.040 9.580 46.070 1.00 0.00 O +ATOM 11205 HW1 SOL 3211 32.760 10.210 46.040 1.00 0.00 H +ATOM 11206 HW2 SOL 3211 31.830 9.490 47.000 1.00 0.00 H +ATOM 11207 OW SOL 3212 56.910 17.570 24.640 1.00 0.00 O +ATOM 11208 HW1 SOL 3212 56.570 18.440 24.420 1.00 0.00 H +ATOM 11209 HW2 SOL 3212 57.190 17.650 25.550 1.00 0.00 H +ATOM 11210 OW SOL 3213 16.090 47.140 30.290 1.00 0.00 O +ATOM 11211 HW1 SOL 3213 15.200 46.810 30.400 1.00 0.00 H +ATOM 11212 HW2 SOL 3213 16.000 47.860 29.670 1.00 0.00 H +ATOM 11213 OW SOL 3214 9.220 40.380 52.160 1.00 0.00 O +ATOM 11214 HW1 SOL 3214 9.570 41.250 52.350 1.00 0.00 H +ATOM 11215 HW2 SOL 3214 9.370 40.260 51.220 1.00 0.00 H +ATOM 11216 OW SOL 3215 62.300 49.320 13.920 1.00 0.00 O +ATOM 11217 HW1 SOL 3215 61.550 49.440 14.500 1.00 0.00 H +ATOM 11218 HW2 SOL 3215 62.480 50.190 13.580 1.00 0.00 H +ATOM 11219 OW SOL 3216 24.480 3.510 33.740 1.00 0.00 O +ATOM 11220 HW1 SOL 3216 25.260 3.600 34.280 1.00 0.00 H +ATOM 11221 HW2 SOL 3216 24.570 2.650 33.320 1.00 0.00 H +ATOM 11222 OW SOL 3217 12.150 58.350 22.910 1.00 0.00 O +ATOM 11223 HW1 SOL 3217 11.560 57.760 22.440 1.00 0.00 H +ATOM 11224 HW2 SOL 3217 12.510 57.820 23.620 1.00 0.00 H +ATOM 11225 OW SOL 3218 53.950 23.680 52.800 1.00 0.00 O +ATOM 11226 HW1 SOL 3218 53.300 23.010 52.550 1.00 0.00 H +ATOM 11227 HW2 SOL 3218 53.860 24.360 52.130 1.00 0.00 H +ATOM 11228 OW SOL 3219 44.210 2.360 25.680 1.00 0.00 O +ATOM 11229 HW1 SOL 3219 44.030 3.290 25.540 1.00 0.00 H +ATOM 11230 HW2 SOL 3219 44.670 2.080 24.890 1.00 0.00 H +ATOM 11231 OW SOL 3220 62.550 45.600 47.810 1.00 0.00 O +ATOM 11232 HW1 SOL 3220 63.020 45.340 48.610 1.00 0.00 H +ATOM 11233 HW2 SOL 3220 62.800 46.520 47.680 1.00 0.00 H +ATOM 11234 OW SOL 3221 52.300 32.130 49.920 1.00 0.00 O +ATOM 11235 HW1 SOL 3221 52.120 32.420 49.030 1.00 0.00 H +ATOM 11236 HW2 SOL 3221 52.680 31.250 49.810 1.00 0.00 H +ATOM 11237 OW SOL 3222 39.410 24.110 31.270 1.00 0.00 O +ATOM 11238 HW1 SOL 3222 39.900 23.430 30.810 1.00 0.00 H +ATOM 11239 HW2 SOL 3222 39.380 24.840 30.650 1.00 0.00 H +ATOM 11240 OW SOL 3223 37.450 18.980 35.590 1.00 0.00 O +ATOM 11241 HW1 SOL 3223 37.840 19.500 36.290 1.00 0.00 H +ATOM 11242 HW2 SOL 3223 38.090 18.300 35.410 1.00 0.00 H +ATOM 11243 OW SOL 3224 40.830 24.360 22.870 1.00 0.00 O +ATOM 11244 HW1 SOL 3224 40.910 24.280 23.820 1.00 0.00 H +ATOM 11245 HW2 SOL 3224 40.240 23.650 22.610 1.00 0.00 H +ATOM 11246 OW SOL 3225 51.500 61.280 28.400 1.00 0.00 O +ATOM 11247 HW1 SOL 3225 52.390 61.010 28.140 1.00 0.00 H +ATOM 11248 HW2 SOL 3225 51.450 61.080 29.330 1.00 0.00 H +ATOM 11249 OW SOL 3226 14.740 19.980 52.200 1.00 0.00 O +ATOM 11250 HW1 SOL 3226 14.490 20.890 52.360 1.00 0.00 H +ATOM 11251 HW2 SOL 3226 15.170 20.000 51.350 1.00 0.00 H +ATOM 11252 OW SOL 3227 48.100 6.550 49.940 1.00 0.00 O +ATOM 11253 HW1 SOL 3227 47.890 5.660 49.640 1.00 0.00 H +ATOM 11254 HW2 SOL 3227 47.290 6.860 50.330 1.00 0.00 H +ATOM 11255 OW SOL 3228 10.820 35.110 9.720 1.00 0.00 O +ATOM 11256 HW1 SOL 3228 10.230 34.700 9.090 1.00 0.00 H +ATOM 11257 HW2 SOL 3228 11.660 34.680 9.580 1.00 0.00 H +ATOM 11258 OW SOL 3229 42.830 38.070 15.450 1.00 0.00 O +ATOM 11259 HW1 SOL 3229 42.360 38.560 16.130 1.00 0.00 H +ATOM 11260 HW2 SOL 3229 42.390 37.210 15.440 1.00 0.00 H +ATOM 11261 OW SOL 3230 10.630 10.480 22.950 1.00 0.00 O +ATOM 11262 HW1 SOL 3230 11.350 9.990 22.560 1.00 0.00 H +ATOM 11263 HW2 SOL 3230 10.930 10.650 23.850 1.00 0.00 H +ATOM 11264 OW SOL 3231 25.800 20.230 10.840 1.00 0.00 O +ATOM 11265 HW1 SOL 3231 26.560 20.170 11.410 1.00 0.00 H +ATOM 11266 HW2 SOL 3231 25.200 20.810 11.310 1.00 0.00 H +ATOM 11267 OW SOL 3232 25.620 25.620 27.450 1.00 0.00 O +ATOM 11268 HW1 SOL 3232 26.410 26.030 27.100 1.00 0.00 H +ATOM 11269 HW2 SOL 3232 25.080 25.450 26.670 1.00 0.00 H +ATOM 11270 OW SOL 3233 37.110 25.490 6.860 1.00 0.00 O +ATOM 11271 HW1 SOL 3233 36.730 26.270 7.280 1.00 0.00 H +ATOM 11272 HW2 SOL 3233 37.260 25.750 5.950 1.00 0.00 H +ATOM 11273 OW SOL 3234 59.110 43.590 9.840 1.00 0.00 O +ATOM 11274 HW1 SOL 3234 58.800 44.320 10.380 1.00 0.00 H +ATOM 11275 HW2 SOL 3234 58.320 43.070 9.680 1.00 0.00 H +ATOM 11276 OW SOL 3235 25.850 38.920 47.680 1.00 0.00 O +ATOM 11277 HW1 SOL 3235 25.410 38.490 46.950 1.00 0.00 H +ATOM 11278 HW2 SOL 3235 26.140 38.200 48.240 1.00 0.00 H +ATOM 11279 OW SOL 3236 38.370 3.630 22.030 1.00 0.00 O +ATOM 11280 HW1 SOL 3236 37.880 2.990 22.560 1.00 0.00 H +ATOM 11281 HW2 SOL 3236 37.740 4.330 21.860 1.00 0.00 H +ATOM 11282 OW SOL 3237 9.560 36.350 33.090 1.00 0.00 O +ATOM 11283 HW1 SOL 3237 9.330 36.760 33.920 1.00 0.00 H +ATOM 11284 HW2 SOL 3237 8.910 36.680 32.470 1.00 0.00 H +ATOM 11285 OW SOL 3238 21.000 27.200 33.690 1.00 0.00 O +ATOM 11286 HW1 SOL 3238 20.240 27.550 33.220 1.00 0.00 H +ATOM 11287 HW2 SOL 3238 21.190 27.860 34.360 1.00 0.00 H +ATOM 11288 OW SOL 3239 48.100 18.690 30.720 1.00 0.00 O +ATOM 11289 HW1 SOL 3239 48.300 19.620 30.600 1.00 0.00 H +ATOM 11290 HW2 SOL 3239 48.940 18.300 30.970 1.00 0.00 H +ATOM 11291 OW SOL 3240 47.920 4.890 32.670 1.00 0.00 O +ATOM 11292 HW1 SOL 3240 48.150 4.190 33.280 1.00 0.00 H +ATOM 11293 HW2 SOL 3240 48.540 5.590 32.860 1.00 0.00 H +ATOM 11294 OW SOL 3241 13.700 46.920 17.350 1.00 0.00 O +ATOM 11295 HW1 SOL 3241 13.980 46.280 18.000 1.00 0.00 H +ATOM 11296 HW2 SOL 3241 12.740 46.840 17.330 1.00 0.00 H +ATOM 11297 OW SOL 3242 45.990 53.790 46.980 1.00 0.00 O +ATOM 11298 HW1 SOL 3242 46.160 54.590 47.480 1.00 0.00 H +ATOM 11299 HW2 SOL 3242 45.160 53.950 46.530 1.00 0.00 H +ATOM 11300 OW SOL 3243 33.760 8.520 32.640 1.00 0.00 O +ATOM 11301 HW1 SOL 3243 33.370 9.380 32.730 1.00 0.00 H +ATOM 11302 HW2 SOL 3243 33.520 8.060 33.450 1.00 0.00 H +ATOM 11303 OW SOL 3244 9.810 59.900 24.880 1.00 0.00 O +ATOM 11304 HW1 SOL 3244 9.160 60.590 24.780 1.00 0.00 H +ATOM 11305 HW2 SOL 3244 10.290 59.910 24.050 1.00 0.00 H +ATOM 11306 OW SOL 3245 21.320 2.680 36.710 1.00 0.00 O +ATOM 11307 HW1 SOL 3245 21.280 3.360 36.050 1.00 0.00 H +ATOM 11308 HW2 SOL 3245 20.530 2.800 37.230 1.00 0.00 H +ATOM 11309 OW SOL 3246 46.410 60.380 32.380 1.00 0.00 O +ATOM 11310 HW1 SOL 3246 45.740 61.070 32.340 1.00 0.00 H +ATOM 11311 HW2 SOL 3246 45.920 59.570 32.330 1.00 0.00 H +ATOM 11312 OW SOL 3247 11.220 46.650 19.700 1.00 0.00 O +ATOM 11313 HW1 SOL 3247 10.930 47.090 20.500 1.00 0.00 H +ATOM 11314 HW2 SOL 3247 12.070 46.290 19.920 1.00 0.00 H +ATOM 11315 OW SOL 3248 0.110 13.800 6.400 1.00 0.00 O +ATOM 11316 HW1 SOL 3248 0.010 14.720 6.150 1.00 0.00 H +ATOM 11317 HW2 SOL 3248 0.200 13.330 5.570 1.00 0.00 H +ATOM 11318 OW SOL 3249 56.830 54.810 24.430 1.00 0.00 O +ATOM 11319 HW1 SOL 3249 57.510 55.040 25.060 1.00 0.00 H +ATOM 11320 HW2 SOL 3249 57.170 55.120 23.590 1.00 0.00 H +ATOM 11321 OW SOL 3250 31.170 7.620 17.840 1.00 0.00 O +ATOM 11322 HW1 SOL 3250 31.510 7.650 16.940 1.00 0.00 H +ATOM 11323 HW2 SOL 3250 31.890 7.920 18.380 1.00 0.00 H +ATOM 11324 OW SOL 3251 31.270 46.190 3.220 1.00 0.00 O +ATOM 11325 HW1 SOL 3251 30.430 45.740 3.340 1.00 0.00 H +ATOM 11326 HW2 SOL 3251 31.050 46.970 2.700 1.00 0.00 H +ATOM 11327 OW SOL 3252 48.440 27.490 20.800 1.00 0.00 O +ATOM 11328 HW1 SOL 3252 48.740 26.860 20.140 1.00 0.00 H +ATOM 11329 HW2 SOL 3252 47.700 27.930 20.380 1.00 0.00 H +ATOM 11330 OW SOL 3253 46.020 41.890 3.080 1.00 0.00 O +ATOM 11331 HW1 SOL 3253 46.390 41.320 2.400 1.00 0.00 H +ATOM 11332 HW2 SOL 3253 46.610 42.640 3.120 1.00 0.00 H +ATOM 11333 OW SOL 3254 50.370 24.560 17.050 1.00 0.00 O +ATOM 11334 HW1 SOL 3254 50.020 24.240 16.220 1.00 0.00 H +ATOM 11335 HW2 SOL 3254 50.290 23.820 17.640 1.00 0.00 H +ATOM 11336 OW SOL 3255 61.710 14.120 43.480 1.00 0.00 O +ATOM 11337 HW1 SOL 3255 61.120 13.640 42.900 1.00 0.00 H +ATOM 11338 HW2 SOL 3255 61.600 15.040 43.240 1.00 0.00 H +ATOM 11339 OW SOL 3256 6.430 3.550 47.640 1.00 0.00 O +ATOM 11340 HW1 SOL 3256 6.210 4.390 48.040 1.00 0.00 H +ATOM 11341 HW2 SOL 3256 5.640 3.010 47.760 1.00 0.00 H +ATOM 11342 OW SOL 3257 40.830 52.620 4.970 1.00 0.00 O +ATOM 11343 HW1 SOL 3257 41.050 52.310 4.100 1.00 0.00 H +ATOM 11344 HW2 SOL 3257 39.980 52.210 5.170 1.00 0.00 H +ATOM 11345 OW SOL 3258 65.370 47.940 19.980 1.00 0.00 O +ATOM 11346 HW1 SOL 3258 66.300 48.180 19.890 1.00 0.00 H +ATOM 11347 HW2 SOL 3258 65.020 48.020 19.090 1.00 0.00 H +ATOM 11348 OW SOL 3259 20.840 42.550 7.140 1.00 0.00 O +ATOM 11349 HW1 SOL 3259 21.680 42.920 6.840 1.00 0.00 H +ATOM 11350 HW2 SOL 3259 20.240 42.730 6.420 1.00 0.00 H +ATOM 11351 OW SOL 3260 56.160 51.450 2.110 1.00 0.00 O +ATOM 11352 HW1 SOL 3260 56.490 50.660 1.680 1.00 0.00 H +ATOM 11353 HW2 SOL 3260 56.890 52.060 2.090 1.00 0.00 H +ATOM 11354 OW SOL 3261 61.550 28.130 37.660 1.00 0.00 O +ATOM 11355 HW1 SOL 3261 61.560 28.390 38.580 1.00 0.00 H +ATOM 11356 HW2 SOL 3261 62.440 27.800 37.490 1.00 0.00 H +ATOM 11357 OW SOL 3262 35.300 22.860 36.190 1.00 0.00 O +ATOM 11358 HW1 SOL 3262 35.360 23.590 36.810 1.00 0.00 H +ATOM 11359 HW2 SOL 3262 35.330 23.270 35.330 1.00 0.00 H +ATOM 11360 OW SOL 3263 37.800 22.490 47.550 1.00 0.00 O +ATOM 11361 HW1 SOL 3263 37.570 22.830 46.690 1.00 0.00 H +ATOM 11362 HW2 SOL 3263 36.980 22.140 47.890 1.00 0.00 H +ATOM 11363 OW SOL 3264 10.200 15.210 18.690 1.00 0.00 O +ATOM 11364 HW1 SOL 3264 9.850 15.750 19.400 1.00 0.00 H +ATOM 11365 HW2 SOL 3264 10.110 14.310 19.000 1.00 0.00 H +ATOM 11366 OW SOL 3265 14.210 3.950 31.610 1.00 0.00 O +ATOM 11367 HW1 SOL 3265 14.630 3.610 32.410 1.00 0.00 H +ATOM 11368 HW2 SOL 3265 13.330 4.180 31.880 1.00 0.00 H +ATOM 11369 OW SOL 3266 9.830 2.220 28.990 1.00 0.00 O +ATOM 11370 HW1 SOL 3266 9.160 1.620 29.300 1.00 0.00 H +ATOM 11371 HW2 SOL 3266 10.100 2.710 29.770 1.00 0.00 H +ATOM 11372 OW SOL 3267 63.720 41.580 1.300 1.00 0.00 O +ATOM 11373 HW1 SOL 3267 64.290 41.990 1.960 1.00 0.00 H +ATOM 11374 HW2 SOL 3267 64.040 40.670 1.250 1.00 0.00 H +ATOM 11375 OW SOL 3268 5.010 46.510 52.820 1.00 0.00 O +ATOM 11376 HW1 SOL 3268 5.080 46.050 51.990 1.00 0.00 H +ATOM 11377 HW2 SOL 3268 5.510 47.310 52.700 1.00 0.00 H +ATOM 11378 OW SOL 3269 38.700 19.420 45.560 1.00 0.00 O +ATOM 11379 HW1 SOL 3269 38.320 18.810 44.920 1.00 0.00 H +ATOM 11380 HW2 SOL 3269 38.040 19.460 46.260 1.00 0.00 H +ATOM 11381 OW SOL 3270 5.050 4.000 17.450 1.00 0.00 O +ATOM 11382 HW1 SOL 3270 5.980 3.780 17.360 1.00 0.00 H +ATOM 11383 HW2 SOL 3270 4.610 3.480 16.780 1.00 0.00 H +ATOM 11384 OW SOL 3271 13.810 22.920 12.240 1.00 0.00 O +ATOM 11385 HW1 SOL 3271 12.960 22.980 12.680 1.00 0.00 H +ATOM 11386 HW2 SOL 3271 14.420 22.680 12.940 1.00 0.00 H +ATOM 11387 OW SOL 3272 59.590 39.390 1.890 1.00 0.00 O +ATOM 11388 HW1 SOL 3272 59.800 38.910 1.090 1.00 0.00 H +ATOM 11389 HW2 SOL 3272 59.630 38.720 2.580 1.00 0.00 H +ATOM 11390 OW SOL 3273 36.890 12.920 51.100 1.00 0.00 O +ATOM 11391 HW1 SOL 3273 36.920 13.350 50.240 1.00 0.00 H +ATOM 11392 HW2 SOL 3273 37.770 13.050 51.460 1.00 0.00 H +ATOM 11393 OW SOL 3274 47.200 7.940 34.620 1.00 0.00 O +ATOM 11394 HW1 SOL 3274 48.020 7.610 34.250 1.00 0.00 H +ATOM 11395 HW2 SOL 3274 46.830 8.500 33.940 1.00 0.00 H +ATOM 11396 OW SOL 3275 8.430 1.880 0.660 1.00 0.00 O +ATOM 11397 HW1 SOL 3275 7.720 1.780 0.030 1.00 0.00 H +ATOM 11398 HW2 SOL 3275 7.990 2.000 1.510 1.00 0.00 H +ATOM 11399 OW SOL 3276 23.930 26.850 16.440 1.00 0.00 O +ATOM 11400 HW1 SOL 3276 23.910 26.290 15.660 1.00 0.00 H +ATOM 11401 HW2 SOL 3276 23.740 27.730 16.100 1.00 0.00 H +ATOM 11402 OW SOL 3277 24.790 37.120 3.050 1.00 0.00 O +ATOM 11403 HW1 SOL 3277 24.030 36.750 3.470 1.00 0.00 H +ATOM 11404 HW2 SOL 3277 24.780 38.050 3.290 1.00 0.00 H +ATOM 11405 OW SOL 3278 40.220 25.190 13.650 1.00 0.00 O +ATOM 11406 HW1 SOL 3278 39.730 25.510 14.400 1.00 0.00 H +ATOM 11407 HW2 SOL 3278 41.040 24.860 14.020 1.00 0.00 H +ATOM 11408 OW SOL 3279 11.560 59.390 29.000 1.00 0.00 O +ATOM 11409 HW1 SOL 3279 12.320 59.260 29.560 1.00 0.00 H +ATOM 11410 HW2 SOL 3279 11.680 60.270 28.650 1.00 0.00 H +ATOM 11411 OW SOL 3280 44.010 19.220 14.500 1.00 0.00 O +ATOM 11412 HW1 SOL 3280 44.480 19.890 14.010 1.00 0.00 H +ATOM 11413 HW2 SOL 3280 43.530 18.720 13.840 1.00 0.00 H +ATOM 11414 OW SOL 3281 46.370 17.570 17.310 1.00 0.00 O +ATOM 11415 HW1 SOL 3281 45.430 17.390 17.250 1.00 0.00 H +ATOM 11416 HW2 SOL 3281 46.620 17.260 18.170 1.00 0.00 H +ATOM 11417 OW SOL 3282 12.640 36.440 50.270 1.00 0.00 O +ATOM 11418 HW1 SOL 3282 13.050 35.670 49.870 1.00 0.00 H +ATOM 11419 HW2 SOL 3282 11.820 36.110 50.650 1.00 0.00 H +ATOM 11420 OW SOL 3283 40.550 12.470 31.340 1.00 0.00 O +ATOM 11421 HW1 SOL 3283 39.870 12.410 32.010 1.00 0.00 H +ATOM 11422 HW2 SOL 3283 41.280 12.930 31.770 1.00 0.00 H +ATOM 11423 OW SOL 3284 2.640 26.530 36.540 1.00 0.00 O +ATOM 11424 HW1 SOL 3284 3.050 27.000 37.270 1.00 0.00 H +ATOM 11425 HW2 SOL 3284 1.910 26.050 36.950 1.00 0.00 H +ATOM 11426 OW SOL 3285 40.020 46.870 11.630 1.00 0.00 O +ATOM 11427 HW1 SOL 3285 39.430 47.160 10.930 1.00 0.00 H +ATOM 11428 HW2 SOL 3285 39.430 46.540 12.320 1.00 0.00 H +ATOM 11429 OW SOL 3286 4.710 28.330 9.930 1.00 0.00 O +ATOM 11430 HW1 SOL 3286 4.130 28.080 9.210 1.00 0.00 H +ATOM 11431 HW2 SOL 3286 4.360 27.860 10.690 1.00 0.00 H +ATOM 11432 OW SOL 3287 21.480 60.420 39.170 1.00 0.00 O +ATOM 11433 HW1 SOL 3287 22.190 59.970 38.710 1.00 0.00 H +ATOM 11434 HW2 SOL 3287 21.210 59.810 39.850 1.00 0.00 H +ATOM 11435 OW SOL 3288 30.040 43.050 3.020 1.00 0.00 O +ATOM 11436 HW1 SOL 3288 29.610 43.750 3.520 1.00 0.00 H +ATOM 11437 HW2 SOL 3288 30.960 43.090 3.310 1.00 0.00 H +ATOM 11438 OW SOL 3289 24.190 17.030 52.710 1.00 0.00 O +ATOM 11439 HW1 SOL 3289 23.430 17.550 52.970 1.00 0.00 H +ATOM 11440 HW2 SOL 3289 24.100 16.210 53.200 1.00 0.00 H +ATOM 11441 OW SOL 3290 47.950 20.050 33.560 1.00 0.00 O +ATOM 11442 HW1 SOL 3290 48.750 19.560 33.750 1.00 0.00 H +ATOM 11443 HW2 SOL 3290 48.220 20.960 33.550 1.00 0.00 H +ATOM 11444 OW SOL 3291 24.170 13.560 1.670 1.00 0.00 O +ATOM 11445 HW1 SOL 3291 23.830 13.690 2.560 1.00 0.00 H +ATOM 11446 HW2 SOL 3291 23.580 12.920 1.290 1.00 0.00 H +ATOM 11447 OW SOL 3292 55.180 31.020 46.750 1.00 0.00 O +ATOM 11448 HW1 SOL 3292 54.350 30.920 46.290 1.00 0.00 H +ATOM 11449 HW2 SOL 3292 55.170 31.920 47.080 1.00 0.00 H +ATOM 11450 OW SOL 3293 35.640 23.010 18.760 1.00 0.00 O +ATOM 11451 HW1 SOL 3293 35.370 22.650 17.920 1.00 0.00 H +ATOM 11452 HW2 SOL 3293 34.900 22.870 19.350 1.00 0.00 H +ATOM 11453 OW SOL 3294 41.090 9.360 13.680 1.00 0.00 O +ATOM 11454 HW1 SOL 3294 40.750 9.430 12.790 1.00 0.00 H +ATOM 11455 HW2 SOL 3294 41.710 8.630 13.640 1.00 0.00 H +ATOM 11456 OW SOL 3295 30.430 39.680 9.040 1.00 0.00 O +ATOM 11457 HW1 SOL 3295 29.980 39.380 9.830 1.00 0.00 H +ATOM 11458 HW2 SOL 3295 30.590 38.880 8.530 1.00 0.00 H +ATOM 11459 OW SOL 3296 46.100 21.780 49.670 1.00 0.00 O +ATOM 11460 HW1 SOL 3296 46.890 21.270 49.520 1.00 0.00 H +ATOM 11461 HW2 SOL 3296 45.790 22.000 48.790 1.00 0.00 H +ATOM 11462 OW SOL 3297 45.170 9.290 12.750 1.00 0.00 O +ATOM 11463 HW1 SOL 3297 44.350 8.810 12.670 1.00 0.00 H +ATOM 11464 HW2 SOL 3297 44.950 10.070 13.260 1.00 0.00 H +ATOM 11465 OW SOL 3298 17.500 4.080 28.410 1.00 0.00 O +ATOM 11466 HW1 SOL 3298 16.630 3.710 28.530 1.00 0.00 H +ATOM 11467 HW2 SOL 3298 17.490 4.460 27.530 1.00 0.00 H +ATOM 11468 OW SOL 3299 28.520 36.780 42.780 1.00 0.00 O +ATOM 11469 HW1 SOL 3299 29.060 36.510 43.520 1.00 0.00 H +ATOM 11470 HW2 SOL 3299 28.160 35.970 42.440 1.00 0.00 H +ATOM 11471 OW SOL 3300 55.000 36.850 44.320 1.00 0.00 O +ATOM 11472 HW1 SOL 3300 55.940 36.710 44.190 1.00 0.00 H +ATOM 11473 HW2 SOL 3300 54.600 36.530 43.510 1.00 0.00 H +ATOM 11474 OW SOL 3301 10.330 60.620 21.920 1.00 0.00 O +ATOM 11475 HW1 SOL 3301 10.720 59.750 22.030 1.00 0.00 H +ATOM 11476 HW2 SOL 3301 9.850 60.570 21.090 1.00 0.00 H +ATOM 11477 OW SOL 3302 54.880 24.140 12.130 1.00 0.00 O +ATOM 11478 HW1 SOL 3302 54.330 24.250 11.360 1.00 0.00 H +ATOM 11479 HW2 SOL 3302 54.330 24.440 12.860 1.00 0.00 H +ATOM 11480 OW SOL 3303 57.870 35.980 44.480 1.00 0.00 O +ATOM 11481 HW1 SOL 3303 58.440 35.230 44.330 1.00 0.00 H +ATOM 11482 HW2 SOL 3303 57.820 36.070 45.430 1.00 0.00 H +ATOM 11483 OW SOL 3304 34.270 24.130 21.690 1.00 0.00 O +ATOM 11484 HW1 SOL 3304 33.920 23.510 21.050 1.00 0.00 H +ATOM 11485 HW2 SOL 3304 33.490 24.560 22.060 1.00 0.00 H +ATOM 11486 OW SOL 3305 26.070 51.370 44.510 1.00 0.00 O +ATOM 11487 HW1 SOL 3305 25.310 51.660 44.010 1.00 0.00 H +ATOM 11488 HW2 SOL 3305 25.730 50.700 45.100 1.00 0.00 H +ATOM 11489 OW SOL 3306 28.940 11.440 6.750 1.00 0.00 O +ATOM 11490 HW1 SOL 3306 28.070 11.600 6.390 1.00 0.00 H +ATOM 11491 HW2 SOL 3306 29.330 12.310 6.840 1.00 0.00 H +ATOM 11492 OW SOL 3307 13.600 4.050 17.280 1.00 0.00 O +ATOM 11493 HW1 SOL 3307 13.560 3.500 16.500 1.00 0.00 H +ATOM 11494 HW2 SOL 3307 12.910 3.690 17.850 1.00 0.00 H +ATOM 11495 OW SOL 3308 30.570 0.460 32.600 1.00 0.00 O +ATOM 11496 HW1 SOL 3308 30.400 -0.310 32.050 1.00 0.00 H +ATOM 11497 HW2 SOL 3308 30.540 0.130 33.500 1.00 0.00 H +ATOM 11498 OW SOL 3309 17.680 12.890 42.710 1.00 0.00 O +ATOM 11499 HW1 SOL 3309 18.200 12.930 43.510 1.00 0.00 H +ATOM 11500 HW2 SOL 3309 17.470 13.800 42.520 1.00 0.00 H +ATOM 11501 OW SOL 3310 51.400 55.060 34.550 1.00 0.00 O +ATOM 11502 HW1 SOL 3310 51.540 54.880 33.620 1.00 0.00 H +ATOM 11503 HW2 SOL 3310 51.490 56.010 34.630 1.00 0.00 H +ATOM 11504 OW SOL 3311 24.860 26.150 6.990 1.00 0.00 O +ATOM 11505 HW1 SOL 3311 24.000 26.550 6.860 1.00 0.00 H +ATOM 11506 HW2 SOL 3311 25.480 26.830 6.710 1.00 0.00 H +ATOM 11507 OW SOL 3312 58.050 4.240 24.090 1.00 0.00 O +ATOM 11508 HW1 SOL 3312 57.790 3.320 24.030 1.00 0.00 H +ATOM 11509 HW2 SOL 3312 58.700 4.250 24.790 1.00 0.00 H +ATOM 11510 OW SOL 3313 53.560 7.190 30.010 1.00 0.00 O +ATOM 11511 HW1 SOL 3313 53.680 6.650 29.230 1.00 0.00 H +ATOM 11512 HW2 SOL 3313 52.650 7.050 30.260 1.00 0.00 H +ATOM 11513 OW SOL 3314 48.830 53.480 29.330 1.00 0.00 O +ATOM 11514 HW1 SOL 3314 49.140 53.580 28.420 1.00 0.00 H +ATOM 11515 HW2 SOL 3314 48.270 54.240 29.470 1.00 0.00 H +ATOM 11516 OW SOL 3315 27.970 33.680 16.190 1.00 0.00 O +ATOM 11517 HW1 SOL 3315 27.330 33.350 15.550 1.00 0.00 H +ATOM 11518 HW2 SOL 3315 28.820 33.430 15.830 1.00 0.00 H +ATOM 11519 OW SOL 3316 55.270 19.620 52.810 1.00 0.00 O +ATOM 11520 HW1 SOL 3316 55.710 18.800 52.580 1.00 0.00 H +ATOM 11521 HW2 SOL 3316 55.700 20.280 52.260 1.00 0.00 H +ATOM 11522 OW SOL 3317 14.230 21.420 15.420 1.00 0.00 O +ATOM 11523 HW1 SOL 3317 13.400 21.890 15.380 1.00 0.00 H +ATOM 11524 HW2 SOL 3317 14.890 22.080 15.180 1.00 0.00 H +ATOM 11525 OW SOL 3318 51.850 60.110 40.130 1.00 0.00 O +ATOM 11526 HW1 SOL 3318 52.200 59.750 40.940 1.00 0.00 H +ATOM 11527 HW2 SOL 3318 52.500 59.870 39.460 1.00 0.00 H +ATOM 11528 OW SOL 3319 56.260 22.210 13.530 1.00 0.00 O +ATOM 11529 HW1 SOL 3319 55.950 21.300 13.470 1.00 0.00 H +ATOM 11530 HW2 SOL 3319 55.620 22.720 13.050 1.00 0.00 H +ATOM 11531 OW SOL 3320 0.100 49.100 11.100 1.00 0.00 O +ATOM 11532 HW1 SOL 3320 0.190 49.880 10.550 1.00 0.00 H +ATOM 11533 HW2 SOL 3320 0.460 49.360 11.950 1.00 0.00 H +ATOM 11534 OW SOL 3321 20.290 31.160 11.730 1.00 0.00 O +ATOM 11535 HW1 SOL 3321 20.090 30.300 11.360 1.00 0.00 H +ATOM 11536 HW2 SOL 3321 21.060 31.450 11.240 1.00 0.00 H +ATOM 11537 OW SOL 3322 41.490 9.550 30.660 1.00 0.00 O +ATOM 11538 HW1 SOL 3322 41.560 10.490 30.510 1.00 0.00 H +ATOM 11539 HW2 SOL 3322 40.730 9.460 31.230 1.00 0.00 H +ATOM 11540 OW SOL 3323 28.610 44.750 4.500 1.00 0.00 O +ATOM 11541 HW1 SOL 3323 28.330 45.630 4.760 1.00 0.00 H +ATOM 11542 HW2 SOL 3323 28.420 44.200 5.260 1.00 0.00 H +ATOM 11543 OW SOL 3324 17.940 40.980 0.970 1.00 0.00 O +ATOM 11544 HW1 SOL 3324 17.210 41.550 1.190 1.00 0.00 H +ATOM 11545 HW2 SOL 3324 18.700 41.570 0.910 1.00 0.00 H +ATOM 11546 OW SOL 3325 16.240 36.470 7.230 1.00 0.00 O +ATOM 11547 HW1 SOL 3325 16.220 36.190 6.310 1.00 0.00 H +ATOM 11548 HW2 SOL 3325 16.480 35.690 7.720 1.00 0.00 H +ATOM 11549 OW SOL 3326 29.680 25.820 3.240 1.00 0.00 O +ATOM 11550 HW1 SOL 3326 29.880 26.540 2.640 1.00 0.00 H +ATOM 11551 HW2 SOL 3326 28.820 25.500 2.950 1.00 0.00 H +ATOM 11552 OW SOL 3327 39.610 59.930 31.600 1.00 0.00 O +ATOM 11553 HW1 SOL 3327 39.350 60.820 31.840 1.00 0.00 H +ATOM 11554 HW2 SOL 3327 39.680 59.950 30.650 1.00 0.00 H +ATOM 11555 OW SOL 3328 29.370 25.710 18.430 1.00 0.00 O +ATOM 11556 HW1 SOL 3328 29.520 25.450 17.520 1.00 0.00 H +ATOM 11557 HW2 SOL 3328 28.530 25.320 18.660 1.00 0.00 H +ATOM 11558 OW SOL 3329 14.710 48.920 25.140 1.00 0.00 O +ATOM 11559 HW1 SOL 3329 14.400 48.270 24.520 1.00 0.00 H +ATOM 11560 HW2 SOL 3329 15.660 48.860 25.110 1.00 0.00 H +ATOM 11561 OW SOL 3330 12.380 43.890 35.830 1.00 0.00 O +ATOM 11562 HW1 SOL 3330 11.820 44.240 35.140 1.00 0.00 H +ATOM 11563 HW2 SOL 3330 13.020 43.350 35.370 1.00 0.00 H +ATOM 11564 OW SOL 3331 31.660 29.520 5.770 1.00 0.00 O +ATOM 11565 HW1 SOL 3331 30.900 29.360 6.330 1.00 0.00 H +ATOM 11566 HW2 SOL 3331 31.480 29.050 4.960 1.00 0.00 H +ATOM 11567 OW SOL 3332 64.770 12.650 19.750 1.00 0.00 O +ATOM 11568 HW1 SOL 3332 63.870 12.880 19.520 1.00 0.00 H +ATOM 11569 HW2 SOL 3332 64.700 12.260 20.620 1.00 0.00 H +ATOM 11570 OW SOL 3333 57.600 33.970 18.770 1.00 0.00 O +ATOM 11571 HW1 SOL 3333 57.330 33.060 18.670 1.00 0.00 H +ATOM 11572 HW2 SOL 3333 57.700 34.290 17.870 1.00 0.00 H +ATOM 11573 OW SOL 3334 5.820 3.290 5.240 1.00 0.00 O +ATOM 11574 HW1 SOL 3334 6.090 3.970 5.860 1.00 0.00 H +ATOM 11575 HW2 SOL 3334 5.190 3.740 4.670 1.00 0.00 H +ATOM 11576 OW SOL 3335 36.450 35.990 10.640 1.00 0.00 O +ATOM 11577 HW1 SOL 3335 36.540 35.670 9.740 1.00 0.00 H +ATOM 11578 HW2 SOL 3335 37.200 35.610 11.100 1.00 0.00 H +ATOM 11579 OW SOL 3336 34.380 3.180 3.020 1.00 0.00 O +ATOM 11580 HW1 SOL 3336 34.540 2.250 2.840 1.00 0.00 H +ATOM 11581 HW2 SOL 3336 33.870 3.180 3.830 1.00 0.00 H +ATOM 11582 OW SOL 3337 43.000 16.080 2.900 1.00 0.00 O +ATOM 11583 HW1 SOL 3337 42.810 16.910 3.340 1.00 0.00 H +ATOM 11584 HW2 SOL 3337 42.250 15.520 3.120 1.00 0.00 H +ATOM 11585 OW SOL 3338 33.150 10.200 12.100 1.00 0.00 O +ATOM 11586 HW1 SOL 3338 32.360 10.590 11.730 1.00 0.00 H +ATOM 11587 HW2 SOL 3338 33.860 10.570 11.570 1.00 0.00 H +ATOM 11588 OW SOL 3339 51.960 41.090 43.810 1.00 0.00 O +ATOM 11589 HW1 SOL 3339 51.680 40.200 44.040 1.00 0.00 H +ATOM 11590 HW2 SOL 3339 51.160 41.560 43.600 1.00 0.00 H +ATOM 11591 OW SOL 3340 57.150 10.780 40.550 1.00 0.00 O +ATOM 11592 HW1 SOL 3340 57.280 10.320 41.380 1.00 0.00 H +ATOM 11593 HW2 SOL 3340 57.800 10.400 39.960 1.00 0.00 H +ATOM 11594 OW SOL 3341 62.640 25.340 12.610 1.00 0.00 O +ATOM 11595 HW1 SOL 3341 62.590 25.020 13.510 1.00 0.00 H +ATOM 11596 HW2 SOL 3341 62.040 26.090 12.590 1.00 0.00 H +ATOM 11597 OW SOL 3342 31.640 26.920 19.770 1.00 0.00 O +ATOM 11598 HW1 SOL 3342 31.070 26.220 19.450 1.00 0.00 H +ATOM 11599 HW2 SOL 3342 32.420 26.870 19.230 1.00 0.00 H +ATOM 11600 OW SOL 3343 52.230 19.040 41.830 1.00 0.00 O +ATOM 11601 HW1 SOL 3343 52.810 18.290 41.960 1.00 0.00 H +ATOM 11602 HW2 SOL 3343 51.640 19.020 42.580 1.00 0.00 H +ATOM 11603 OW SOL 3344 59.210 37.970 43.100 1.00 0.00 O +ATOM 11604 HW1 SOL 3344 58.690 37.230 43.430 1.00 0.00 H +ATOM 11605 HW2 SOL 3344 60.070 37.600 42.930 1.00 0.00 H +ATOM 11606 OW SOL 3345 44.490 9.050 7.100 1.00 0.00 O +ATOM 11607 HW1 SOL 3345 43.580 8.900 6.850 1.00 0.00 H +ATOM 11608 HW2 SOL 3345 44.890 9.480 6.340 1.00 0.00 H +ATOM 11609 OW SOL 3346 50.040 59.480 49.840 1.00 0.00 O +ATOM 11610 HW1 SOL 3346 50.370 59.690 48.970 1.00 0.00 H +ATOM 11611 HW2 SOL 3346 50.600 58.770 50.150 1.00 0.00 H +ATOM 11612 OW SOL 3347 23.350 21.820 6.390 1.00 0.00 O +ATOM 11613 HW1 SOL 3347 23.290 22.310 5.570 1.00 0.00 H +ATOM 11614 HW2 SOL 3347 24.080 22.230 6.860 1.00 0.00 H +ATOM 11615 OW SOL 3348 10.400 41.620 31.710 1.00 0.00 O +ATOM 11616 HW1 SOL 3348 9.460 41.710 31.880 1.00 0.00 H +ATOM 11617 HW2 SOL 3348 10.660 40.860 32.230 1.00 0.00 H +ATOM 11618 OW SOL 3349 63.900 17.080 23.020 1.00 0.00 O +ATOM 11619 HW1 SOL 3349 63.870 16.660 22.160 1.00 0.00 H +ATOM 11620 HW2 SOL 3349 63.040 17.470 23.130 1.00 0.00 H +ATOM 11621 OW SOL 3350 19.740 37.810 43.130 1.00 0.00 O +ATOM 11622 HW1 SOL 3350 19.960 37.770 44.060 1.00 0.00 H +ATOM 11623 HW2 SOL 3350 19.770 36.910 42.830 1.00 0.00 H +ATOM 11624 OW SOL 3351 59.150 60.830 15.730 1.00 0.00 O +ATOM 11625 HW1 SOL 3351 59.670 60.380 15.060 1.00 0.00 H +ATOM 11626 HW2 SOL 3351 59.230 60.280 16.500 1.00 0.00 H +ATOM 11627 OW SOL 3352 25.230 58.460 40.810 1.00 0.00 O +ATOM 11628 HW1 SOL 3352 24.770 59.260 41.050 1.00 0.00 H +ATOM 11629 HW2 SOL 3352 26.000 58.450 41.380 1.00 0.00 H +ATOM 11630 OW SOL 3353 49.270 50.910 53.180 1.00 0.00 O +ATOM 11631 HW1 SOL 3353 49.930 50.930 53.870 1.00 0.00 H +ATOM 11632 HW2 SOL 3353 48.460 51.140 53.610 1.00 0.00 H +ATOM 11633 OW SOL 3354 45.970 25.980 41.890 1.00 0.00 O +ATOM 11634 HW1 SOL 3354 45.280 25.580 41.360 1.00 0.00 H +ATOM 11635 HW2 SOL 3354 46.780 25.710 41.470 1.00 0.00 H +ATOM 11636 OW SOL 3355 52.380 47.530 53.140 1.00 0.00 O +ATOM 11637 HW1 SOL 3355 52.300 47.540 54.090 1.00 0.00 H +ATOM 11638 HW2 SOL 3355 51.480 47.560 52.820 1.00 0.00 H +ATOM 11639 OW SOL 3356 64.610 53.490 40.610 1.00 0.00 O +ATOM 11640 HW1 SOL 3356 63.940 52.990 40.140 1.00 0.00 H +ATOM 11641 HW2 SOL 3356 64.910 52.900 41.300 1.00 0.00 H +ATOM 11642 OW SOL 3357 59.810 49.720 3.410 1.00 0.00 O +ATOM 11643 HW1 SOL 3357 59.030 49.910 2.890 1.00 0.00 H +ATOM 11644 HW2 SOL 3357 60.490 50.270 3.040 1.00 0.00 H +ATOM 11645 OW SOL 3358 56.800 61.020 47.290 1.00 0.00 O +ATOM 11646 HW1 SOL 3358 57.740 60.920 47.120 1.00 0.00 H +ATOM 11647 HW2 SOL 3358 56.700 60.790 48.210 1.00 0.00 H +ATOM 11648 OW SOL 3359 53.860 52.400 34.130 1.00 0.00 O +ATOM 11649 HW1 SOL 3359 52.980 52.020 34.150 1.00 0.00 H +ATOM 11650 HW2 SOL 3359 54.340 51.920 34.810 1.00 0.00 H +ATOM 11651 OW SOL 3360 53.050 6.890 46.380 1.00 0.00 O +ATOM 11652 HW1 SOL 3360 53.830 6.430 46.690 1.00 0.00 H +ATOM 11653 HW2 SOL 3360 53.080 6.790 45.430 1.00 0.00 H +ATOM 11654 OW SOL 3361 52.090 38.550 46.540 1.00 0.00 O +ATOM 11655 HW1 SOL 3361 51.370 38.800 45.970 1.00 0.00 H +ATOM 11656 HW2 SOL 3361 51.790 38.770 47.420 1.00 0.00 H +ATOM 11657 OW SOL 3362 2.290 13.690 10.970 1.00 0.00 O +ATOM 11658 HW1 SOL 3362 2.350 14.090 10.110 1.00 0.00 H +ATOM 11659 HW2 SOL 3362 3.190 13.430 11.180 1.00 0.00 H +ATOM 11660 OW SOL 3363 6.470 60.560 10.140 1.00 0.00 O +ATOM 11661 HW1 SOL 3363 7.260 60.930 9.750 1.00 0.00 H +ATOM 11662 HW2 SOL 3363 6.790 59.900 10.750 1.00 0.00 H +ATOM 11663 OW SOL 3364 58.250 8.140 7.460 1.00 0.00 O +ATOM 11664 HW1 SOL 3364 57.310 8.000 7.580 1.00 0.00 H +ATOM 11665 HW2 SOL 3364 58.670 7.550 8.080 1.00 0.00 H +ATOM 11666 OW SOL 3365 49.310 56.150 4.630 1.00 0.00 O +ATOM 11667 HW1 SOL 3365 49.290 56.930 5.190 1.00 0.00 H +ATOM 11668 HW2 SOL 3365 49.150 55.420 5.230 1.00 0.00 H +ATOM 11669 OW SOL 3366 15.950 29.000 40.850 1.00 0.00 O +ATOM 11670 HW1 SOL 3366 16.810 28.720 40.540 1.00 0.00 H +ATOM 11671 HW2 SOL 3366 16.010 28.920 41.800 1.00 0.00 H +ATOM 11672 OW SOL 3367 58.490 45.890 11.310 1.00 0.00 O +ATOM 11673 HW1 SOL 3367 57.850 46.530 11.590 1.00 0.00 H +ATOM 11674 HW2 SOL 3367 59.320 46.200 11.670 1.00 0.00 H +ATOM 11675 OW SOL 3368 4.310 58.070 34.070 1.00 0.00 O +ATOM 11676 HW1 SOL 3368 3.360 58.130 34.050 1.00 0.00 H +ATOM 11677 HW2 SOL 3368 4.560 58.490 34.900 1.00 0.00 H +ATOM 11678 OW SOL 3369 33.330 58.660 28.240 1.00 0.00 O +ATOM 11679 HW1 SOL 3369 32.910 59.510 28.080 1.00 0.00 H +ATOM 11680 HW2 SOL 3369 33.800 58.470 27.420 1.00 0.00 H +ATOM 11681 OW SOL 3370 30.470 59.490 42.980 1.00 0.00 O +ATOM 11682 HW1 SOL 3370 31.420 59.560 43.060 1.00 0.00 H +ATOM 11683 HW2 SOL 3370 30.220 60.220 42.410 1.00 0.00 H +ATOM 11684 OW SOL 3371 18.200 53.490 35.800 1.00 0.00 O +ATOM 11685 HW1 SOL 3371 17.740 54.300 35.570 1.00 0.00 H +ATOM 11686 HW2 SOL 3371 19.070 53.780 36.080 1.00 0.00 H +ATOM 11687 OW SOL 3372 10.660 39.020 32.850 1.00 0.00 O +ATOM 11688 HW1 SOL 3372 10.190 38.420 33.420 1.00 0.00 H +ATOM 11689 HW2 SOL 3372 10.550 38.660 31.970 1.00 0.00 H +ATOM 11690 OW SOL 3373 25.330 16.110 31.960 1.00 0.00 O +ATOM 11691 HW1 SOL 3373 24.520 16.550 31.690 1.00 0.00 H +ATOM 11692 HW2 SOL 3373 26.020 16.730 31.720 1.00 0.00 H +ATOM 11693 OW SOL 3374 57.700 34.750 9.860 1.00 0.00 O +ATOM 11694 HW1 SOL 3374 57.450 34.720 10.790 1.00 0.00 H +ATOM 11695 HW2 SOL 3374 57.110 35.390 9.480 1.00 0.00 H +ATOM 11696 OW SOL 3375 51.800 19.760 19.320 1.00 0.00 O +ATOM 11697 HW1 SOL 3375 52.460 19.060 19.290 1.00 0.00 H +ATOM 11698 HW2 SOL 3375 51.590 19.840 20.250 1.00 0.00 H +ATOM 11699 OW SOL 3376 39.020 31.640 8.160 1.00 0.00 O +ATOM 11700 HW1 SOL 3376 39.670 32.190 8.590 1.00 0.00 H +ATOM 11701 HW2 SOL 3376 38.180 31.910 8.550 1.00 0.00 H +ATOM 11702 OW SOL 3377 35.040 23.380 25.370 1.00 0.00 O +ATOM 11703 HW1 SOL 3377 35.260 24.130 25.930 1.00 0.00 H +ATOM 11704 HW2 SOL 3377 35.820 23.250 24.830 1.00 0.00 H +ATOM 11705 OW SOL 3378 4.740 12.040 2.430 1.00 0.00 O +ATOM 11706 HW1 SOL 3378 4.800 12.320 3.350 1.00 0.00 H +ATOM 11707 HW2 SOL 3378 5.180 11.190 2.410 1.00 0.00 H +ATOM 11708 OW SOL 3379 41.960 54.490 33.080 1.00 0.00 O +ATOM 11709 HW1 SOL 3379 42.860 54.750 33.260 1.00 0.00 H +ATOM 11710 HW2 SOL 3379 42.010 54.030 32.240 1.00 0.00 H +ATOM 11711 OW SOL 3380 56.070 58.880 13.290 1.00 0.00 O +ATOM 11712 HW1 SOL 3380 56.330 59.750 13.580 1.00 0.00 H +ATOM 11713 HW2 SOL 3380 56.120 58.340 14.080 1.00 0.00 H +ATOM 11714 OW SOL 3381 16.590 32.690 44.420 1.00 0.00 O +ATOM 11715 HW1 SOL 3381 16.130 32.640 43.580 1.00 0.00 H +ATOM 11716 HW2 SOL 3381 17.500 32.510 44.210 1.00 0.00 H +ATOM 11717 OW SOL 3382 30.730 16.810 37.640 1.00 0.00 O +ATOM 11718 HW1 SOL 3382 30.130 16.670 38.370 1.00 0.00 H +ATOM 11719 HW2 SOL 3382 30.750 15.970 37.180 1.00 0.00 H +ATOM 11720 OW SOL 3383 30.280 47.590 51.110 1.00 0.00 O +ATOM 11721 HW1 SOL 3383 31.020 47.110 50.730 1.00 0.00 H +ATOM 11722 HW2 SOL 3383 30.140 48.330 50.520 1.00 0.00 H +ATOM 11723 OW SOL 3384 40.660 5.610 5.760 1.00 0.00 O +ATOM 11724 HW1 SOL 3384 39.790 5.230 5.890 1.00 0.00 H +ATOM 11725 HW2 SOL 3384 40.570 6.520 6.060 1.00 0.00 H +ATOM 11726 OW SOL 3385 25.670 13.630 23.200 1.00 0.00 O +ATOM 11727 HW1 SOL 3385 26.240 12.870 23.230 1.00 0.00 H +ATOM 11728 HW2 SOL 3385 24.850 13.300 22.840 1.00 0.00 H +ATOM 11729 OW SOL 3386 50.240 17.800 24.460 1.00 0.00 O +ATOM 11730 HW1 SOL 3386 49.300 17.680 24.600 1.00 0.00 H +ATOM 11731 HW2 SOL 3386 50.400 17.420 23.600 1.00 0.00 H +ATOM 11732 OW SOL 3387 4.050 26.460 20.170 1.00 0.00 O +ATOM 11733 HW1 SOL 3387 3.230 26.480 19.670 1.00 0.00 H +ATOM 11734 HW2 SOL 3387 4.700 26.160 19.540 1.00 0.00 H +ATOM 11735 OW SOL 3388 50.940 52.540 13.830 1.00 0.00 O +ATOM 11736 HW1 SOL 3388 51.030 51.590 13.950 1.00 0.00 H +ATOM 11737 HW2 SOL 3388 50.380 52.630 13.060 1.00 0.00 H +ATOM 11738 OW SOL 3389 23.920 17.590 23.270 1.00 0.00 O +ATOM 11739 HW1 SOL 3389 23.020 17.410 23.570 1.00 0.00 H +ATOM 11740 HW2 SOL 3389 24.090 16.930 22.610 1.00 0.00 H +ATOM 11741 OW SOL 3390 5.460 40.120 29.240 1.00 0.00 O +ATOM 11742 HW1 SOL 3390 5.490 40.000 28.290 1.00 0.00 H +ATOM 11743 HW2 SOL 3390 4.710 40.690 29.380 1.00 0.00 H +ATOM 11744 OW SOL 3391 58.860 27.120 29.950 1.00 0.00 O +ATOM 11745 HW1 SOL 3391 57.910 27.180 29.890 1.00 0.00 H +ATOM 11746 HW2 SOL 3391 59.160 27.160 29.030 1.00 0.00 H +ATOM 11747 OW SOL 3392 63.130 36.090 4.680 1.00 0.00 O +ATOM 11748 HW1 SOL 3392 63.220 35.990 3.730 1.00 0.00 H +ATOM 11749 HW2 SOL 3392 62.780 35.260 4.980 1.00 0.00 H +ATOM 11750 OW SOL 3393 43.010 2.240 39.620 1.00 0.00 O +ATOM 11751 HW1 SOL 3393 43.400 2.620 38.830 1.00 0.00 H +ATOM 11752 HW2 SOL 3393 42.090 2.120 39.400 1.00 0.00 H +ATOM 11753 OW SOL 3394 30.540 27.690 35.840 1.00 0.00 O +ATOM 11754 HW1 SOL 3394 30.220 28.200 35.100 1.00 0.00 H +ATOM 11755 HW2 SOL 3394 31.050 28.320 36.360 1.00 0.00 H +ATOM 11756 OW SOL 3395 45.040 36.840 19.610 1.00 0.00 O +ATOM 11757 HW1 SOL 3395 45.780 36.980 20.200 1.00 0.00 H +ATOM 11758 HW2 SOL 3395 44.520 37.640 19.680 1.00 0.00 H +ATOM 11759 OW SOL 3396 64.960 31.760 18.680 1.00 0.00 O +ATOM 11760 HW1 SOL 3396 64.890 31.880 17.730 1.00 0.00 H +ATOM 11761 HW2 SOL 3396 64.050 31.650 18.970 1.00 0.00 H +ATOM 11762 OW SOL 3397 21.370 4.970 40.280 1.00 0.00 O +ATOM 11763 HW1 SOL 3397 20.680 5.350 40.820 1.00 0.00 H +ATOM 11764 HW2 SOL 3397 21.840 5.720 39.920 1.00 0.00 H +ATOM 11765 OW SOL 3398 35.300 53.260 43.420 1.00 0.00 O +ATOM 11766 HW1 SOL 3398 35.750 53.710 42.710 1.00 0.00 H +ATOM 11767 HW2 SOL 3398 35.990 52.770 43.880 1.00 0.00 H +ATOM 11768 OW SOL 3399 38.880 55.100 2.840 1.00 0.00 O +ATOM 11769 HW1 SOL 3399 39.680 55.450 3.230 1.00 0.00 H +ATOM 11770 HW2 SOL 3399 38.200 55.250 3.490 1.00 0.00 H +ATOM 11771 OW SOL 3400 56.880 44.180 23.410 1.00 0.00 O +ATOM 11772 HW1 SOL 3400 56.310 44.700 23.970 1.00 0.00 H +ATOM 11773 HW2 SOL 3400 57.620 44.760 23.200 1.00 0.00 H +ATOM 11774 OW SOL 3401 45.440 19.970 43.840 1.00 0.00 O +ATOM 11775 HW1 SOL 3401 44.660 20.500 43.960 1.00 0.00 H +ATOM 11776 HW2 SOL 3401 45.500 19.450 44.640 1.00 0.00 H +ATOM 11777 OW SOL 3402 8.750 54.370 34.670 1.00 0.00 O +ATOM 11778 HW1 SOL 3402 8.610 55.200 34.210 1.00 0.00 H +ATOM 11779 HW2 SOL 3402 8.990 53.750 33.980 1.00 0.00 H +ATOM 11780 OW SOL 3403 43.340 46.540 45.390 1.00 0.00 O +ATOM 11781 HW1 SOL 3403 43.860 47.300 45.640 1.00 0.00 H +ATOM 11782 HW2 SOL 3403 43.970 45.900 45.070 1.00 0.00 H +ATOM 11783 OW SOL 3404 36.430 23.850 33.370 1.00 0.00 O +ATOM 11784 HW1 SOL 3404 35.730 23.300 33.010 1.00 0.00 H +ATOM 11785 HW2 SOL 3404 36.360 24.670 32.880 1.00 0.00 H +ATOM 11786 OW SOL 3405 14.260 12.360 3.800 1.00 0.00 O +ATOM 11787 HW1 SOL 3405 15.160 12.610 3.610 1.00 0.00 H +ATOM 11788 HW2 SOL 3405 13.790 13.200 3.850 1.00 0.00 H +ATOM 11789 OW SOL 3406 58.750 52.120 49.750 1.00 0.00 O +ATOM 11790 HW1 SOL 3406 58.850 51.570 48.980 1.00 0.00 H +ATOM 11791 HW2 SOL 3406 57.820 52.370 49.740 1.00 0.00 H +ATOM 11792 OW SOL 3407 60.790 18.660 1.790 1.00 0.00 O +ATOM 11793 HW1 SOL 3407 61.330 19.360 1.420 1.00 0.00 H +ATOM 11794 HW2 SOL 3407 60.020 19.110 2.140 1.00 0.00 H +ATOM 11795 OW SOL 3408 9.270 40.070 49.550 1.00 0.00 O +ATOM 11796 HW1 SOL 3408 9.250 40.750 48.880 1.00 0.00 H +ATOM 11797 HW2 SOL 3408 10.030 39.530 49.320 1.00 0.00 H +ATOM 11798 OW SOL 3409 20.690 57.870 2.480 1.00 0.00 O +ATOM 11799 HW1 SOL 3409 20.380 58.460 3.170 1.00 0.00 H +ATOM 11800 HW2 SOL 3409 21.450 57.430 2.870 1.00 0.00 H +ATOM 11801 OW SOL 3410 33.290 40.860 52.210 1.00 0.00 O +ATOM 11802 HW1 SOL 3410 33.430 40.180 51.550 1.00 0.00 H +ATOM 11803 HW2 SOL 3410 33.910 40.650 52.910 1.00 0.00 H +ATOM 11804 OW SOL 3411 44.530 53.710 51.850 1.00 0.00 O +ATOM 11805 HW1 SOL 3411 45.480 53.620 51.920 1.00 0.00 H +ATOM 11806 HW2 SOL 3411 44.180 52.940 52.300 1.00 0.00 H +ATOM 11807 OW SOL 3412 20.240 43.280 44.930 1.00 0.00 O +ATOM 11808 HW1 SOL 3412 20.260 42.410 44.530 1.00 0.00 H +ATOM 11809 HW2 SOL 3412 20.750 43.190 45.740 1.00 0.00 H +ATOM 11810 OW SOL 3413 7.530 20.450 14.550 1.00 0.00 O +ATOM 11811 HW1 SOL 3413 8.160 20.630 13.850 1.00 0.00 H +ATOM 11812 HW2 SOL 3413 7.000 21.240 14.610 1.00 0.00 H +ATOM 11813 OW SOL 3414 39.980 1.770 39.640 1.00 0.00 O +ATOM 11814 HW1 SOL 3414 39.870 1.490 40.540 1.00 0.00 H +ATOM 11815 HW2 SOL 3414 40.340 1.010 39.190 1.00 0.00 H +ATOM 11816 OW SOL 3415 52.770 13.490 46.270 1.00 0.00 O +ATOM 11817 HW1 SOL 3415 52.040 13.490 46.890 1.00 0.00 H +ATOM 11818 HW2 SOL 3415 52.370 13.290 45.420 1.00 0.00 H +ATOM 11819 OW SOL 3416 13.630 47.050 41.360 1.00 0.00 O +ATOM 11820 HW1 SOL 3416 14.180 46.270 41.250 1.00 0.00 H +ATOM 11821 HW2 SOL 3416 13.040 47.030 40.600 1.00 0.00 H +ATOM 11822 OW SOL 3417 44.710 5.030 8.540 1.00 0.00 O +ATOM 11823 HW1 SOL 3417 44.130 5.030 7.780 1.00 0.00 H +ATOM 11824 HW2 SOL 3417 44.790 5.950 8.780 1.00 0.00 H +ATOM 11825 OW SOL 3418 33.280 37.010 46.280 1.00 0.00 O +ATOM 11826 HW1 SOL 3418 33.940 37.550 45.840 1.00 0.00 H +ATOM 11827 HW2 SOL 3418 33.780 36.400 46.810 1.00 0.00 H +ATOM 11828 OW SOL 3419 5.160 36.640 48.830 1.00 0.00 O +ATOM 11829 HW1 SOL 3419 4.460 37.190 48.490 1.00 0.00 H +ATOM 11830 HW2 SOL 3419 5.850 36.690 48.160 1.00 0.00 H +ATOM 11831 OW SOL 3420 6.400 53.280 44.830 1.00 0.00 O +ATOM 11832 HW1 SOL 3420 5.490 53.140 44.580 1.00 0.00 H +ATOM 11833 HW2 SOL 3420 6.770 53.820 44.140 1.00 0.00 H +ATOM 11834 OW SOL 3421 46.260 22.590 46.920 1.00 0.00 O +ATOM 11835 HW1 SOL 3421 45.910 23.480 46.860 1.00 0.00 H +ATOM 11836 HW2 SOL 3421 46.940 22.560 46.250 1.00 0.00 H +ATOM 11837 OW SOL 3422 19.930 3.080 27.440 1.00 0.00 O +ATOM 11838 HW1 SOL 3422 20.620 3.750 27.450 1.00 0.00 H +ATOM 11839 HW2 SOL 3422 19.200 3.480 27.900 1.00 0.00 H +ATOM 11840 OW SOL 3423 16.980 33.680 40.780 1.00 0.00 O +ATOM 11841 HW1 SOL 3423 16.440 33.060 41.270 1.00 0.00 H +ATOM 11842 HW2 SOL 3423 17.160 33.230 39.950 1.00 0.00 H +ATOM 11843 OW SOL 3424 46.300 22.900 2.690 1.00 0.00 O +ATOM 11844 HW1 SOL 3424 46.830 22.830 3.480 1.00 0.00 H +ATOM 11845 HW2 SOL 3424 46.110 23.830 2.610 1.00 0.00 H +ATOM 11846 OW SOL 3425 12.780 11.920 17.390 1.00 0.00 O +ATOM 11847 HW1 SOL 3425 13.250 11.150 17.080 1.00 0.00 H +ATOM 11848 HW2 SOL 3425 12.890 11.900 18.340 1.00 0.00 H +ATOM 11849 OW SOL 3426 15.400 31.910 36.770 1.00 0.00 O +ATOM 11850 HW1 SOL 3426 14.670 32.300 37.250 1.00 0.00 H +ATOM 11851 HW2 SOL 3426 15.630 32.580 36.120 1.00 0.00 H +ATOM 11852 OW SOL 3427 7.570 31.390 23.990 1.00 0.00 O +ATOM 11853 HW1 SOL 3427 8.330 30.990 23.570 1.00 0.00 H +ATOM 11854 HW2 SOL 3427 7.190 31.950 23.320 1.00 0.00 H +ATOM 11855 OW SOL 3428 38.670 8.350 16.740 1.00 0.00 O +ATOM 11856 HW1 SOL 3428 39.180 9.140 16.600 1.00 0.00 H +ATOM 11857 HW2 SOL 3428 38.900 8.050 17.620 1.00 0.00 H +ATOM 11858 OW SOL 3429 27.680 8.630 47.120 1.00 0.00 O +ATOM 11859 HW1 SOL 3429 26.780 8.380 47.340 1.00 0.00 H +ATOM 11860 HW2 SOL 3429 27.730 9.550 47.350 1.00 0.00 H +ATOM 11861 OW SOL 3430 60.840 45.890 30.810 1.00 0.00 O +ATOM 11862 HW1 SOL 3430 61.180 45.360 30.090 1.00 0.00 H +ATOM 11863 HW2 SOL 3430 60.310 46.570 30.380 1.00 0.00 H +ATOM 11864 OW SOL 3431 6.740 14.570 53.580 1.00 0.00 O +ATOM 11865 HW1 SOL 3431 7.110 14.550 52.700 1.00 0.00 H +ATOM 11866 HW2 SOL 3431 7.490 14.500 54.160 1.00 0.00 H +ATOM 11867 OW SOL 3432 58.640 10.780 32.550 1.00 0.00 O +ATOM 11868 HW1 SOL 3432 58.800 10.530 31.640 1.00 0.00 H +ATOM 11869 HW2 SOL 3432 58.480 11.730 32.510 1.00 0.00 H +ATOM 11870 OW SOL 3433 22.730 32.440 44.390 1.00 0.00 O +ATOM 11871 HW1 SOL 3433 22.110 31.760 44.130 1.00 0.00 H +ATOM 11872 HW2 SOL 3433 22.540 33.180 43.820 1.00 0.00 H +ATOM 11873 OW SOL 3434 14.220 30.640 52.950 1.00 0.00 O +ATOM 11874 HW1 SOL 3434 14.210 29.880 53.520 1.00 0.00 H +ATOM 11875 HW2 SOL 3434 14.080 30.290 52.070 1.00 0.00 H +ATOM 11876 OW SOL 3435 53.860 32.500 52.150 1.00 0.00 O +ATOM 11877 HW1 SOL 3435 53.460 32.810 52.970 1.00 0.00 H +ATOM 11878 HW2 SOL 3435 53.220 32.730 51.470 1.00 0.00 H +ATOM 11879 OW SOL 3436 42.880 52.650 31.260 1.00 0.00 O +ATOM 11880 HW1 SOL 3436 43.410 52.760 30.470 1.00 0.00 H +ATOM 11881 HW2 SOL 3436 43.370 52.030 31.790 1.00 0.00 H +ATOM 11882 OW SOL 3437 53.390 1.850 39.460 1.00 0.00 O +ATOM 11883 HW1 SOL 3437 52.860 2.360 38.840 1.00 0.00 H +ATOM 11884 HW2 SOL 3437 53.940 2.510 39.890 1.00 0.00 H +ATOM 11885 OW SOL 3438 35.650 25.350 27.070 1.00 0.00 O +ATOM 11886 HW1 SOL 3438 35.520 26.130 26.540 1.00 0.00 H +ATOM 11887 HW2 SOL 3438 36.430 25.550 27.600 1.00 0.00 H +ATOM 11888 OW SOL 3439 17.570 15.260 45.650 1.00 0.00 O +ATOM 11889 HW1 SOL 3439 17.800 15.200 44.730 1.00 0.00 H +ATOM 11890 HW2 SOL 3439 18.390 15.420 46.100 1.00 0.00 H +ATOM 11891 OW SOL 3440 39.780 19.560 23.400 1.00 0.00 O +ATOM 11892 HW1 SOL 3440 40.160 19.710 24.260 1.00 0.00 H +ATOM 11893 HW2 SOL 3440 39.250 18.770 23.500 1.00 0.00 H +ATOM 11894 OW SOL 3441 14.490 5.900 35.410 1.00 0.00 O +ATOM 11895 HW1 SOL 3441 14.180 6.770 35.180 1.00 0.00 H +ATOM 11896 HW2 SOL 3441 15.400 5.880 35.140 1.00 0.00 H +ATOM 11897 OW SOL 3442 34.700 14.390 52.520 1.00 0.00 O +ATOM 11898 HW1 SOL 3442 35.520 14.150 52.070 1.00 0.00 H +ATOM 11899 HW2 SOL 3442 34.040 13.840 52.120 1.00 0.00 H +ATOM 11900 OW SOL 3443 39.910 30.420 24.380 1.00 0.00 O +ATOM 11901 HW1 SOL 3443 40.750 30.660 24.770 1.00 0.00 H +ATOM 11902 HW2 SOL 3443 40.040 30.530 23.440 1.00 0.00 H +ATOM 11903 OW SOL 3444 43.550 10.540 1.160 1.00 0.00 O +ATOM 11904 HW1 SOL 3444 43.580 9.580 1.120 1.00 0.00 H +ATOM 11905 HW2 SOL 3444 43.220 10.800 0.300 1.00 0.00 H +ATOM 11906 OW SOL 3445 45.900 52.650 43.500 1.00 0.00 O +ATOM 11907 HW1 SOL 3445 46.550 52.290 44.100 1.00 0.00 H +ATOM 11908 HW2 SOL 3445 46.150 53.570 43.410 1.00 0.00 H +ATOM 11909 OW SOL 3446 28.010 59.250 6.960 1.00 0.00 O +ATOM 11910 HW1 SOL 3446 27.360 59.640 7.560 1.00 0.00 H +ATOM 11911 HW2 SOL 3446 27.780 58.330 6.940 1.00 0.00 H +ATOM 11912 OW SOL 3447 58.530 32.320 36.730 1.00 0.00 O +ATOM 11913 HW1 SOL 3447 58.370 32.830 37.520 1.00 0.00 H +ATOM 11914 HW2 SOL 3447 59.470 32.360 36.600 1.00 0.00 H +ATOM 11915 OW SOL 3448 27.940 56.900 40.950 1.00 0.00 O +ATOM 11916 HW1 SOL 3448 27.630 56.440 40.170 1.00 0.00 H +ATOM 11917 HW2 SOL 3448 28.230 56.200 41.540 1.00 0.00 H +ATOM 11918 OW SOL 3449 60.330 8.060 38.860 1.00 0.00 O +ATOM 11919 HW1 SOL 3449 60.390 7.540 39.670 1.00 0.00 H +ATOM 11920 HW2 SOL 3449 60.940 7.630 38.260 1.00 0.00 H +ATOM 11921 OW SOL 3450 49.370 18.110 19.290 1.00 0.00 O +ATOM 11922 HW1 SOL 3450 48.590 18.480 19.710 1.00 0.00 H +ATOM 11923 HW2 SOL 3450 49.050 17.320 18.850 1.00 0.00 H +ATOM 11924 OW SOL 3451 56.090 8.780 37.850 1.00 0.00 O +ATOM 11925 HW1 SOL 3451 55.920 8.650 36.920 1.00 0.00 H +ATOM 11926 HW2 SOL 3451 56.930 9.230 37.890 1.00 0.00 H +ATOM 11927 OW SOL 3452 41.570 41.870 2.340 1.00 0.00 O +ATOM 11928 HW1 SOL 3452 40.840 41.720 1.740 1.00 0.00 H +ATOM 11929 HW2 SOL 3452 41.360 41.360 3.120 1.00 0.00 H +ATOM 11930 OW SOL 3453 65.515 4.680 42.340 1.00 0.00 O +ATOM 11931 HW1 SOL 3453 65.385 4.650 43.290 1.00 0.00 H +ATOM 11932 HW2 SOL 3453 66.385 4.310 42.200 1.00 0.00 H +ATOM 11933 OW SOL 3454 52.750 53.940 16.790 1.00 0.00 O +ATOM 11934 HW1 SOL 3454 51.860 53.590 16.880 1.00 0.00 H +ATOM 11935 HW2 SOL 3454 52.630 54.890 16.730 1.00 0.00 H +ATOM 11936 OW SOL 3455 22.180 24.910 33.660 1.00 0.00 O +ATOM 11937 HW1 SOL 3455 22.920 24.990 33.060 1.00 0.00 H +ATOM 11938 HW2 SOL 3455 21.740 25.760 33.620 1.00 0.00 H +ATOM 11939 OW SOL 3456 41.470 46.580 42.080 1.00 0.00 O +ATOM 11940 HW1 SOL 3456 41.150 46.860 41.220 1.00 0.00 H +ATOM 11941 HW2 SOL 3456 42.380 46.340 41.930 1.00 0.00 H +ATOM 11942 OW SOL 3457 55.340 7.020 11.140 1.00 0.00 O +ATOM 11943 HW1 SOL 3457 55.500 7.110 10.200 1.00 0.00 H +ATOM 11944 HW2 SOL 3457 54.450 6.680 11.200 1.00 0.00 H +ATOM 11945 OW SOL 3458 1.930 26.750 49.010 1.00 0.00 O +ATOM 11946 HW1 SOL 3458 1.780 27.330 48.260 1.00 0.00 H +ATOM 11947 HW2 SOL 3458 1.060 26.410 49.220 1.00 0.00 H +ATOM 11948 OW SOL 3459 3.040 13.660 8.240 1.00 0.00 O +ATOM 11949 HW1 SOL 3459 3.940 13.330 8.310 1.00 0.00 H +ATOM 11950 HW2 SOL 3459 3.090 14.350 7.570 1.00 0.00 H +ATOM 11951 OW SOL 3460 60.940 54.790 51.660 1.00 0.00 O +ATOM 11952 HW1 SOL 3460 61.140 55.520 52.240 1.00 0.00 H +ATOM 11953 HW2 SOL 3460 60.400 54.200 52.180 1.00 0.00 H +ATOM 11954 OW SOL 3461 11.900 35.740 31.510 1.00 0.00 O +ATOM 11955 HW1 SOL 3461 11.400 34.990 31.180 1.00 0.00 H +ATOM 11956 HW2 SOL 3461 11.590 35.860 32.400 1.00 0.00 H +ATOM 11957 OW SOL 3462 54.970 52.060 4.500 1.00 0.00 O +ATOM 11958 HW1 SOL 3462 55.270 51.710 3.660 1.00 0.00 H +ATOM 11959 HW2 SOL 3462 54.530 52.880 4.280 1.00 0.00 H +ATOM 11960 OW SOL 3463 51.300 30.500 15.060 1.00 0.00 O +ATOM 11961 HW1 SOL 3463 51.550 31.150 15.720 1.00 0.00 H +ATOM 11962 HW2 SOL 3463 51.030 31.020 14.300 1.00 0.00 H +ATOM 11963 OW SOL 3464 6.030 15.550 36.220 1.00 0.00 O +ATOM 11964 HW1 SOL 3464 5.070 15.490 36.170 1.00 0.00 H +ATOM 11965 HW2 SOL 3464 6.220 16.460 36.010 1.00 0.00 H +ATOM 11966 OW SOL 3465 45.470 32.290 26.540 1.00 0.00 O +ATOM 11967 HW1 SOL 3465 45.390 32.370 25.590 1.00 0.00 H +ATOM 11968 HW2 SOL 3465 45.660 31.370 26.690 1.00 0.00 H +ATOM 11969 OW SOL 3466 14.860 15.320 16.300 1.00 0.00 O +ATOM 11970 HW1 SOL 3466 14.030 15.790 16.240 1.00 0.00 H +ATOM 11971 HW2 SOL 3466 15.490 15.990 16.590 1.00 0.00 H +ATOM 11972 OW SOL 3467 45.190 7.500 19.500 1.00 0.00 O +ATOM 11973 HW1 SOL 3467 45.990 7.250 19.030 1.00 0.00 H +ATOM 11974 HW2 SOL 3467 44.720 6.670 19.620 1.00 0.00 H +ATOM 11975 OW SOL 3468 10.770 38.990 25.790 1.00 0.00 O +ATOM 11976 HW1 SOL 3468 10.410 39.180 24.920 1.00 0.00 H +ATOM 11977 HW2 SOL 3468 10.040 39.140 26.390 1.00 0.00 H +ATOM 11978 OW SOL 3469 60.790 48.170 49.320 1.00 0.00 O +ATOM 11979 HW1 SOL 3469 60.560 47.320 48.940 1.00 0.00 H +ATOM 11980 HW2 SOL 3469 60.200 48.260 50.060 1.00 0.00 H +ATOM 11981 OW SOL 3470 15.770 20.400 31.530 1.00 0.00 O +ATOM 11982 HW1 SOL 3470 15.040 20.810 32.000 1.00 0.00 H +ATOM 11983 HW2 SOL 3470 15.710 20.770 30.650 1.00 0.00 H +ATOM 11984 OW SOL 3471 1.800 14.510 18.170 1.00 0.00 O +ATOM 11985 HW1 SOL 3471 2.070 13.780 18.720 1.00 0.00 H +ATOM 11986 HW2 SOL 3471 1.640 14.120 17.310 1.00 0.00 H +ATOM 11987 OW SOL 3472 62.340 3.700 45.370 1.00 0.00 O +ATOM 11988 HW1 SOL 3472 61.730 3.650 44.640 1.00 0.00 H +ATOM 11989 HW2 SOL 3472 62.850 4.490 45.210 1.00 0.00 H +ATOM 11990 OW SOL 3473 17.140 30.490 34.120 1.00 0.00 O +ATOM 11991 HW1 SOL 3473 17.070 31.210 33.500 1.00 0.00 H +ATOM 11992 HW2 SOL 3473 17.420 30.910 34.940 1.00 0.00 H +ATOM 11993 OW SOL 3474 36.310 28.470 15.960 1.00 0.00 O +ATOM 11994 HW1 SOL 3474 36.500 28.650 16.880 1.00 0.00 H +ATOM 11995 HW2 SOL 3474 37.060 27.970 15.650 1.00 0.00 H +ATOM 11996 OW SOL 3475 16.020 7.680 14.660 1.00 0.00 O +ATOM 11997 HW1 SOL 3475 16.620 7.900 15.380 1.00 0.00 H +ATOM 11998 HW2 SOL 3475 15.710 6.800 14.870 1.00 0.00 H +ATOM 11999 OW SOL 3476 29.560 2.030 22.220 1.00 0.00 O +ATOM 12000 HW1 SOL 3476 28.780 1.670 22.640 1.00 0.00 H +ATOM 12001 HW2 SOL 3476 29.510 2.970 22.390 1.00 0.00 H +ATOM 12002 OW SOL 3477 9.800 57.920 53.070 1.00 0.00 O +ATOM 12003 HW1 SOL 3477 9.390 57.100 52.790 1.00 0.00 H +ATOM 12004 HW2 SOL 3477 10.640 57.940 52.620 1.00 0.00 H +ATOM 12005 OW SOL 3478 26.950 2.190 4.940 1.00 0.00 O +ATOM 12006 HW1 SOL 3478 27.600 1.500 5.040 1.00 0.00 H +ATOM 12007 HW2 SOL 3478 26.180 1.870 5.390 1.00 0.00 H +ATOM 12008 OW SOL 3479 48.090 35.540 9.200 1.00 0.00 O +ATOM 12009 HW1 SOL 3479 47.550 35.180 9.910 1.00 0.00 H +ATOM 12010 HW2 SOL 3479 47.970 36.490 9.270 1.00 0.00 H +ATOM 12011 OW SOL 3480 41.000 55.070 38.330 1.00 0.00 O +ATOM 12012 HW1 SOL 3480 41.400 55.690 38.950 1.00 0.00 H +ATOM 12013 HW2 SOL 3480 41.530 55.180 37.530 1.00 0.00 H +ATOM 12014 OW SOL 3481 60.180 60.790 35.240 1.00 0.00 O +ATOM 12015 HW1 SOL 3481 60.400 61.460 34.590 1.00 0.00 H +ATOM 12016 HW2 SOL 3481 60.330 59.960 34.790 1.00 0.00 H +ATOM 12017 OW SOL 3482 16.950 39.210 16.740 1.00 0.00 O +ATOM 12018 HW1 SOL 3482 16.250 39.250 17.390 1.00 0.00 H +ATOM 12019 HW2 SOL 3482 17.160 40.130 16.560 1.00 0.00 H +ATOM 12020 OW SOL 3483 37.970 37.370 52.430 1.00 0.00 O +ATOM 12021 HW1 SOL 3483 37.440 37.760 51.730 1.00 0.00 H +ATOM 12022 HW2 SOL 3483 38.880 37.450 52.120 1.00 0.00 H +ATOM 12023 OW SOL 3484 15.870 55.760 1.990 1.00 0.00 O +ATOM 12024 HW1 SOL 3484 16.320 54.990 2.350 1.00 0.00 H +ATOM 12025 HW2 SOL 3484 15.990 56.440 2.640 1.00 0.00 H +ATOM 12026 OW SOL 3485 39.740 9.260 32.710 1.00 0.00 O +ATOM 12027 HW1 SOL 3485 39.860 9.430 33.640 1.00 0.00 H +ATOM 12028 HW2 SOL 3485 38.840 8.910 32.640 1.00 0.00 H +ATOM 12029 OW SOL 3486 27.230 9.910 26.520 1.00 0.00 O +ATOM 12030 HW1 SOL 3486 27.530 10.820 26.420 1.00 0.00 H +ATOM 12031 HW2 SOL 3486 26.330 9.920 26.190 1.00 0.00 H +ATOM 12032 OW SOL 3487 16.330 26.050 10.740 1.00 0.00 O +ATOM 12033 HW1 SOL 3487 16.230 26.880 11.200 1.00 0.00 H +ATOM 12034 HW2 SOL 3487 15.840 26.170 9.930 1.00 0.00 H +ATOM 12035 OW SOL 3488 55.650 8.400 16.210 1.00 0.00 O +ATOM 12036 HW1 SOL 3488 55.230 8.530 15.360 1.00 0.00 H +ATOM 12037 HW2 SOL 3488 56.450 7.910 16.020 1.00 0.00 H +ATOM 12038 OW SOL 3489 20.690 18.950 26.180 1.00 0.00 O +ATOM 12039 HW1 SOL 3489 20.630 18.260 26.850 1.00 0.00 H +ATOM 12040 HW2 SOL 3489 21.020 19.710 26.660 1.00 0.00 H +ATOM 12041 OW SOL 3490 28.670 10.900 20.550 1.00 0.00 O +ATOM 12042 HW1 SOL 3490 29.470 10.400 20.740 1.00 0.00 H +ATOM 12043 HW2 SOL 3490 28.550 10.790 19.600 1.00 0.00 H +ATOM 12044 OW SOL 3491 21.590 46.460 47.650 1.00 0.00 O +ATOM 12045 HW1 SOL 3491 21.330 47.340 47.380 1.00 0.00 H +ATOM 12046 HW2 SOL 3491 22.130 46.590 48.430 1.00 0.00 H +ATOM 12047 OW SOL 3492 53.070 53.750 36.830 1.00 0.00 O +ATOM 12048 HW1 SOL 3492 52.650 53.900 35.990 1.00 0.00 H +ATOM 12049 HW2 SOL 3492 53.420 52.850 36.770 1.00 0.00 H +ATOM 12050 OW SOL 3493 34.700 53.280 13.250 1.00 0.00 O +ATOM 12051 HW1 SOL 3493 35.600 53.150 12.980 1.00 0.00 H +ATOM 12052 HW2 SOL 3493 34.750 53.520 14.180 1.00 0.00 H +ATOM 12053 OW SOL 3494 29.140 14.520 39.990 1.00 0.00 O +ATOM 12054 HW1 SOL 3494 28.860 13.790 40.530 1.00 0.00 H +ATOM 12055 HW2 SOL 3494 28.480 15.200 40.140 1.00 0.00 H +ATOM 12056 OW SOL 3495 20.690 45.520 5.050 1.00 0.00 O +ATOM 12057 HW1 SOL 3495 20.220 45.290 4.250 1.00 0.00 H +ATOM 12058 HW2 SOL 3495 20.190 45.090 5.750 1.00 0.00 H +ATOM 12059 OW SOL 3496 63.030 20.690 5.010 1.00 0.00 O +ATOM 12060 HW1 SOL 3496 63.030 19.880 4.500 1.00 0.00 H +ATOM 12061 HW2 SOL 3496 63.740 20.580 5.650 1.00 0.00 H +ATOM 12062 OW SOL 3497 24.400 15.660 21.360 1.00 0.00 O +ATOM 12063 HW1 SOL 3497 23.880 15.510 20.580 1.00 0.00 H +ATOM 12064 HW2 SOL 3497 24.900 14.850 21.480 1.00 0.00 H +ATOM 12065 OW SOL 3498 29.020 38.580 40.830 1.00 0.00 O +ATOM 12066 HW1 SOL 3498 28.910 37.970 40.100 1.00 0.00 H +ATOM 12067 HW2 SOL 3498 28.820 38.050 41.610 1.00 0.00 H +ATOM 12068 OW SOL 3499 22.470 29.050 46.070 1.00 0.00 O +ATOM 12069 HW1 SOL 3499 22.760 29.030 46.980 1.00 0.00 H +ATOM 12070 HW2 SOL 3499 23.220 28.720 45.560 1.00 0.00 H +ATOM 12071 OW SOL 3500 63.730 36.960 35.920 1.00 0.00 O +ATOM 12072 HW1 SOL 3500 64.210 37.330 36.660 1.00 0.00 H +ATOM 12073 HW2 SOL 3500 64.130 36.100 35.790 1.00 0.00 H +ATOM 12074 OW SOL 3501 21.500 13.610 21.660 1.00 0.00 O +ATOM 12075 HW1 SOL 3501 21.340 13.960 22.530 1.00 0.00 H +ATOM 12076 HW2 SOL 3501 20.750 13.890 21.140 1.00 0.00 H +ATOM 12077 OW SOL 3502 9.200 28.020 16.910 1.00 0.00 O +ATOM 12078 HW1 SOL 3502 8.330 27.960 16.520 1.00 0.00 H +ATOM 12079 HW2 SOL 3502 9.420 28.950 16.870 1.00 0.00 H +ATOM 12080 OW SOL 3503 29.080 51.720 45.010 1.00 0.00 O +ATOM 12081 HW1 SOL 3503 28.280 51.270 45.290 1.00 0.00 H +ATOM 12082 HW2 SOL 3503 28.900 51.970 44.100 1.00 0.00 H +ATOM 12083 OW SOL 3504 25.750 44.600 8.830 1.00 0.00 O +ATOM 12084 HW1 SOL 3504 25.360 45.090 9.550 1.00 0.00 H +ATOM 12085 HW2 SOL 3504 26.070 43.790 9.240 1.00 0.00 H +ATOM 12086 OW SOL 3505 24.730 22.770 16.600 1.00 0.00 O +ATOM 12087 HW1 SOL 3505 25.360 23.340 17.030 1.00 0.00 H +ATOM 12088 HW2 SOL 3505 23.920 23.280 16.570 1.00 0.00 H +ATOM 12089 OW SOL 3506 4.140 21.310 48.510 1.00 0.00 O +ATOM 12090 HW1 SOL 3506 4.000 22.250 48.610 1.00 0.00 H +ATOM 12091 HW2 SOL 3506 3.300 20.960 48.220 1.00 0.00 H +ATOM 12092 OW SOL 3507 3.340 53.900 32.730 1.00 0.00 O +ATOM 12093 HW1 SOL 3507 2.680 54.210 33.360 1.00 0.00 H +ATOM 12094 HW2 SOL 3507 3.030 54.230 31.880 1.00 0.00 H +ATOM 12095 OW SOL 3508 55.670 11.570 14.160 1.00 0.00 O +ATOM 12096 HW1 SOL 3508 56.620 11.460 14.130 1.00 0.00 H +ATOM 12097 HW2 SOL 3508 55.340 10.700 14.380 1.00 0.00 H +ATOM 12098 OW SOL 3509 30.970 9.350 20.780 1.00 0.00 O +ATOM 12099 HW1 SOL 3509 31.380 9.100 21.610 1.00 0.00 H +ATOM 12100 HW2 SOL 3509 31.700 9.390 20.160 1.00 0.00 H +ATOM 12101 OW SOL 3510 34.360 30.440 44.650 1.00 0.00 O +ATOM 12102 HW1 SOL 3510 34.640 30.130 43.790 1.00 0.00 H +ATOM 12103 HW2 SOL 3510 35.100 30.950 44.980 1.00 0.00 H +ATOM 12104 OW SOL 3511 18.990 40.180 4.680 1.00 0.00 O +ATOM 12105 HW1 SOL 3511 18.140 40.600 4.520 1.00 0.00 H +ATOM 12106 HW2 SOL 3511 19.630 40.810 4.360 1.00 0.00 H +ATOM 12107 OW SOL 3512 39.960 4.900 31.630 1.00 0.00 O +ATOM 12108 HW1 SOL 3512 40.240 5.370 30.840 1.00 0.00 H +ATOM 12109 HW2 SOL 3512 40.140 5.510 32.340 1.00 0.00 H +ATOM 12110 OW SOL 3513 8.540 26.740 24.910 1.00 0.00 O +ATOM 12111 HW1 SOL 3513 7.940 27.390 24.540 1.00 0.00 H +ATOM 12112 HW2 SOL 3513 9.330 26.800 24.370 1.00 0.00 H +ATOM 12113 OW SOL 3514 1.010 39.780 53.460 1.00 0.00 O +ATOM 12114 HW1 SOL 3514 1.070 40.370 52.700 1.00 0.00 H +ATOM 12115 HW2 SOL 3514 0.070 39.600 53.550 1.00 0.00 H +ATOM 12116 OW SOL 3515 60.230 31.240 50.130 1.00 0.00 O +ATOM 12117 HW1 SOL 3515 61.050 31.120 49.660 1.00 0.00 H +ATOM 12118 HW2 SOL 3515 59.550 30.980 49.500 1.00 0.00 H +ATOM 12119 OW SOL 3516 60.190 54.880 17.020 1.00 0.00 O +ATOM 12120 HW1 SOL 3516 59.250 55.020 17.060 1.00 0.00 H +ATOM 12121 HW2 SOL 3516 60.560 55.530 17.620 1.00 0.00 H +ATOM 12122 OW SOL 3517 4.420 44.060 9.500 1.00 0.00 O +ATOM 12123 HW1 SOL 3517 3.620 43.540 9.530 1.00 0.00 H +ATOM 12124 HW2 SOL 3517 4.380 44.530 8.670 1.00 0.00 H +ATOM 12125 OW SOL 3518 28.580 27.110 28.840 1.00 0.00 O +ATOM 12126 HW1 SOL 3518 28.170 26.980 27.980 1.00 0.00 H +ATOM 12127 HW2 SOL 3518 29.320 26.500 28.850 1.00 0.00 H +ATOM 12128 OW SOL 3519 48.090 54.150 1.930 1.00 0.00 O +ATOM 12129 HW1 SOL 3519 48.020 54.750 1.190 1.00 0.00 H +ATOM 12130 HW2 SOL 3519 49.030 54.080 2.100 1.00 0.00 H +ATOM 12131 OW SOL 3520 27.590 1.100 25.250 1.00 0.00 O +ATOM 12132 HW1 SOL 3520 27.700 1.360 26.170 1.00 0.00 H +ATOM 12133 HW2 SOL 3520 27.480 1.930 24.780 1.00 0.00 H +ATOM 12134 OW SOL 3521 51.720 48.810 22.880 1.00 0.00 O +ATOM 12135 HW1 SOL 3521 51.170 48.030 22.780 1.00 0.00 H +ATOM 12136 HW2 SOL 3521 52.550 48.570 22.470 1.00 0.00 H +ATOM 12137 OW SOL 3522 12.550 30.580 11.950 1.00 0.00 O +ATOM 12138 HW1 SOL 3522 13.440 30.720 12.250 1.00 0.00 H +ATOM 12139 HW2 SOL 3522 12.010 31.120 12.540 1.00 0.00 H +ATOM 12140 OW SOL 3523 3.510 45.450 17.000 1.00 0.00 O +ATOM 12141 HW1 SOL 3523 3.040 44.790 16.490 1.00 0.00 H +ATOM 12142 HW2 SOL 3523 4.350 45.030 17.210 1.00 0.00 H +ATOM 12143 OW SOL 3524 36.360 9.730 22.720 1.00 0.00 O +ATOM 12144 HW1 SOL 3524 37.030 9.050 22.830 1.00 0.00 H +ATOM 12145 HW2 SOL 3524 35.850 9.700 23.540 1.00 0.00 H +ATOM 12146 OW SOL 3525 63.330 39.790 40.920 1.00 0.00 O +ATOM 12147 HW1 SOL 3525 62.390 39.630 40.970 1.00 0.00 H +ATOM 12148 HW2 SOL 3525 63.550 39.620 40.000 1.00 0.00 H +ATOM 12149 OW SOL 3526 39.040 12.310 17.950 1.00 0.00 O +ATOM 12150 HW1 SOL 3526 39.480 11.760 17.300 1.00 0.00 H +ATOM 12151 HW2 SOL 3526 38.170 12.470 17.580 1.00 0.00 H +ATOM 12152 OW SOL 3527 51.870 53.760 28.190 1.00 0.00 O +ATOM 12153 HW1 SOL 3527 52.090 52.840 28.340 1.00 0.00 H +ATOM 12154 HW2 SOL 3527 51.840 53.850 27.240 1.00 0.00 H +ATOM 12155 OW SOL 3528 65.660 24.590 6.110 1.00 0.00 O +ATOM 12156 HW1 SOL 3528 65.780 25.070 5.290 1.00 0.00 H +ATOM 12157 HW2 SOL 3528 64.740 24.720 6.330 1.00 0.00 H +ATOM 12158 OW SOL 3529 37.860 17.920 52.870 1.00 0.00 O +ATOM 12159 HW1 SOL 3529 37.210 17.530 53.450 1.00 0.00 H +ATOM 12160 HW2 SOL 3529 38.460 17.200 52.670 1.00 0.00 H +ATOM 12161 OW SOL 3530 38.550 21.530 40.030 1.00 0.00 O +ATOM 12162 HW1 SOL 3530 38.410 22.470 39.980 1.00 0.00 H +ATOM 12163 HW2 SOL 3530 38.190 21.190 39.210 1.00 0.00 H +ATOM 12164 OW SOL 3531 53.850 21.080 49.760 1.00 0.00 O +ATOM 12165 HW1 SOL 3531 54.720 21.340 50.050 1.00 0.00 H +ATOM 12166 HW2 SOL 3531 53.290 21.230 50.520 1.00 0.00 H +ATOM 12167 OW SOL 3532 7.770 61.750 14.220 1.00 0.00 O +ATOM 12168 HW1 SOL 3532 7.520 60.830 14.210 1.00 0.00 H +ATOM 12169 HW2 SOL 3532 8.130 61.910 13.350 1.00 0.00 H +ATOM 12170 OW SOL 3533 0.900 59.330 2.810 1.00 0.00 O +ATOM 12171 HW1 SOL 3533 1.660 59.150 2.270 1.00 0.00 H +ATOM 12172 HW2 SOL 3533 0.680 60.250 2.630 1.00 0.00 H +ATOM 12173 OW SOL 3534 52.360 1.370 48.280 1.00 0.00 O +ATOM 12174 HW1 SOL 3534 52.010 2.170 48.680 1.00 0.00 H +ATOM 12175 HW2 SOL 3534 51.950 0.660 48.770 1.00 0.00 H +ATOM 12176 OW SOL 3535 35.790 24.350 15.470 1.00 0.00 O +ATOM 12177 HW1 SOL 3535 35.090 24.670 14.900 1.00 0.00 H +ATOM 12178 HW2 SOL 3535 35.670 23.400 15.490 1.00 0.00 H +ATOM 12179 OW SOL 3536 36.160 18.340 13.770 1.00 0.00 O +ATOM 12180 HW1 SOL 3536 35.520 19.010 14.030 1.00 0.00 H +ATOM 12181 HW2 SOL 3536 35.680 17.760 13.180 1.00 0.00 H +ATOM 12182 OW SOL 3537 5.380 23.060 17.680 1.00 0.00 O +ATOM 12183 HW1 SOL 3537 5.840 22.400 17.170 1.00 0.00 H +ATOM 12184 HW2 SOL 3537 4.630 23.300 17.140 1.00 0.00 H +ATOM 12185 OW SOL 3538 22.920 49.260 26.090 1.00 0.00 O +ATOM 12186 HW1 SOL 3538 22.630 48.380 25.860 1.00 0.00 H +ATOM 12187 HW2 SOL 3538 23.780 49.350 25.670 1.00 0.00 H +ATOM 12188 OW SOL 3539 46.540 14.100 9.370 1.00 0.00 O +ATOM 12189 HW1 SOL 3539 47.310 14.620 9.160 1.00 0.00 H +ATOM 12190 HW2 SOL 3539 46.130 13.930 8.520 1.00 0.00 H +ATOM 12191 OW SOL 3540 29.120 55.440 43.210 1.00 0.00 O +ATOM 12192 HW1 SOL 3540 29.690 55.990 43.750 1.00 0.00 H +ATOM 12193 HW2 SOL 3540 28.390 55.210 43.770 1.00 0.00 H +ATOM 12194 OW SOL 3541 18.010 12.550 29.970 1.00 0.00 O +ATOM 12195 HW1 SOL 3541 17.520 13.070 30.610 1.00 0.00 H +ATOM 12196 HW2 SOL 3541 18.880 12.470 30.340 1.00 0.00 H +ATOM 12197 OW SOL 3542 40.450 35.130 13.200 1.00 0.00 O +ATOM 12198 HW1 SOL 3542 41.180 34.840 13.740 1.00 0.00 H +ATOM 12199 HW2 SOL 3542 40.530 34.640 12.390 1.00 0.00 H +ATOM 12200 OW SOL 3543 6.090 39.610 50.110 1.00 0.00 O +ATOM 12201 HW1 SOL 3543 6.540 38.800 50.340 1.00 0.00 H +ATOM 12202 HW2 SOL 3543 6.600 40.300 50.540 1.00 0.00 H +ATOM 12203 OW SOL 3544 61.830 28.870 40.320 1.00 0.00 O +ATOM 12204 HW1 SOL 3544 62.020 29.800 40.440 1.00 0.00 H +ATOM 12205 HW2 SOL 3544 62.040 28.470 41.160 1.00 0.00 H +ATOM 12206 OW SOL 3545 52.730 9.420 24.290 1.00 0.00 O +ATOM 12207 HW1 SOL 3545 52.690 8.810 25.030 1.00 0.00 H +ATOM 12208 HW2 SOL 3545 52.750 8.850 23.520 1.00 0.00 H +ATOM 12209 OW SOL 3546 7.240 54.010 27.330 1.00 0.00 O +ATOM 12210 HW1 SOL 3546 6.740 53.290 27.720 1.00 0.00 H +ATOM 12211 HW2 SOL 3546 6.960 54.780 27.820 1.00 0.00 H +ATOM 12212 OW SOL 3547 46.570 2.670 38.230 1.00 0.00 O +ATOM 12213 HW1 SOL 3547 46.830 2.110 37.500 1.00 0.00 H +ATOM 12214 HW2 SOL 3547 45.920 3.260 37.860 1.00 0.00 H +ATOM 12215 OW SOL 3548 59.460 17.410 20.900 1.00 0.00 O +ATOM 12216 HW1 SOL 3548 58.940 17.370 20.090 1.00 0.00 H +ATOM 12217 HW2 SOL 3548 58.930 17.930 21.500 1.00 0.00 H +ATOM 12218 OW SOL 3549 38.010 16.960 22.440 1.00 0.00 O +ATOM 12219 HW1 SOL 3549 37.410 16.210 22.380 1.00 0.00 H +ATOM 12220 HW2 SOL 3549 37.950 17.390 21.590 1.00 0.00 H +ATOM 12221 OW SOL 3550 56.991 31.393 53.485 1.00 0.00 O +ATOM 12222 HW1 SOL 3550 57.391 30.753 54.065 1.00 0.00 H +ATOM 12223 HW2 SOL 3550 56.051 31.173 53.495 1.00 0.00 H +ATOM 12224 OW SOL 3551 20.680 27.440 23.490 1.00 0.00 O +ATOM 12225 HW1 SOL 3551 20.120 27.680 22.750 1.00 0.00 H +ATOM 12226 HW2 SOL 3551 21.310 26.820 23.130 1.00 0.00 H +ATOM 12227 OW SOL 3552 3.620 55.200 53.420 1.00 0.00 O +ATOM 12228 HW1 SOL 3552 3.950 55.360 52.530 1.00 0.00 H +ATOM 12229 HW2 SOL 3552 4.370 55.390 53.990 1.00 0.00 H +ATOM 12230 OW SOL 3553 11.080 19.680 14.650 1.00 0.00 O +ATOM 12231 HW1 SOL 3553 10.410 20.150 14.150 1.00 0.00 H +ATOM 12232 HW2 SOL 3553 11.730 19.410 13.990 1.00 0.00 H +ATOM 12233 OW SOL 3554 16.610 8.020 21.540 1.00 0.00 O +ATOM 12234 HW1 SOL 3554 17.260 8.210 20.870 1.00 0.00 H +ATOM 12235 HW2 SOL 3554 16.380 7.100 21.410 1.00 0.00 H +ATOM 12236 OW SOL 3555 18.940 37.870 2.710 1.00 0.00 O +ATOM 12237 HW1 SOL 3555 18.950 38.770 3.030 1.00 0.00 H +ATOM 12238 HW2 SOL 3555 18.560 37.920 1.830 1.00 0.00 H +ATOM 12239 OW SOL 3556 57.480 41.410 1.850 1.00 0.00 O +ATOM 12240 HW1 SOL 3556 58.100 40.700 2.000 1.00 0.00 H +ATOM 12241 HW2 SOL 3556 57.970 42.210 2.070 1.00 0.00 H +ATOM 12242 OW SOL 3557 42.500 42.490 8.780 1.00 0.00 O +ATOM 12243 HW1 SOL 3557 41.750 42.890 9.220 1.00 0.00 H +ATOM 12244 HW2 SOL 3557 43.060 43.220 8.530 1.00 0.00 H +ATOM 12245 OW SOL 3558 14.840 25.220 46.890 1.00 0.00 O +ATOM 12246 HW1 SOL 3558 14.350 25.210 47.710 1.00 0.00 H +ATOM 12247 HW2 SOL 3558 15.410 25.980 46.950 1.00 0.00 H +ATOM 12248 OW SOL 3559 54.950 15.910 36.490 1.00 0.00 O +ATOM 12249 HW1 SOL 3559 54.300 16.560 36.740 1.00 0.00 H +ATOM 12250 HW2 SOL 3559 54.820 15.200 37.120 1.00 0.00 H +ATOM 12251 OW SOL 3560 6.350 27.670 16.360 1.00 0.00 O +ATOM 12252 HW1 SOL 3560 6.080 28.340 16.990 1.00 0.00 H +ATOM 12253 HW2 SOL 3560 5.600 27.590 15.770 1.00 0.00 H +ATOM 12254 OW SOL 3561 59.850 38.250 11.690 1.00 0.00 O +ATOM 12255 HW1 SOL 3561 58.990 37.960 11.380 1.00 0.00 H +ATOM 12256 HW2 SOL 3561 59.660 38.830 12.430 1.00 0.00 H +ATOM 12257 OW SOL 3562 29.710 6.800 20.480 1.00 0.00 O +ATOM 12258 HW1 SOL 3562 29.940 7.720 20.600 1.00 0.00 H +ATOM 12259 HW2 SOL 3562 30.370 6.460 19.880 1.00 0.00 H +ATOM 12260 OW SOL 3563 38.960 59.310 20.130 1.00 0.00 O +ATOM 12261 HW1 SOL 3563 39.520 60.090 20.070 1.00 0.00 H +ATOM 12262 HW2 SOL 3563 39.420 58.740 20.760 1.00 0.00 H +ATOM 12263 OW SOL 3564 30.970 41.950 50.730 1.00 0.00 O +ATOM 12264 HW1 SOL 3564 31.810 42.010 51.200 1.00 0.00 H +ATOM 12265 HW2 SOL 3564 30.340 41.720 51.410 1.00 0.00 H +ATOM 12266 OW SOL 3565 44.820 30.120 37.250 1.00 0.00 O +ATOM 12267 HW1 SOL 3565 45.650 30.560 37.050 1.00 0.00 H +ATOM 12268 HW2 SOL 3565 44.890 29.910 38.180 1.00 0.00 H +ATOM 12269 OW SOL 3566 51.050 24.560 51.080 1.00 0.00 O +ATOM 12270 HW1 SOL 3566 51.890 24.780 50.690 1.00 0.00 H +ATOM 12271 HW2 SOL 3566 50.810 25.340 51.590 1.00 0.00 H +ATOM 12272 OW SOL 3567 13.370 16.700 44.700 1.00 0.00 O +ATOM 12273 HW1 SOL 3567 13.460 15.860 44.250 1.00 0.00 H +ATOM 12274 HW2 SOL 3567 12.620 16.580 45.280 1.00 0.00 H +ATOM 12275 OW SOL 3568 20.460 32.980 51.360 1.00 0.00 O +ATOM 12276 HW1 SOL 3568 20.400 33.720 51.970 1.00 0.00 H +ATOM 12277 HW2 SOL 3568 19.630 32.990 50.900 1.00 0.00 H +ATOM 12278 OW SOL 3569 12.090 24.260 30.870 1.00 0.00 O +ATOM 12279 HW1 SOL 3569 11.380 24.690 30.400 1.00 0.00 H +ATOM 12280 HW2 SOL 3569 12.820 24.890 30.820 1.00 0.00 H +ATOM 12281 OW SOL 3570 39.000 61.560 16.310 1.00 0.00 O +ATOM 12282 HW1 SOL 3570 39.530 61.200 15.600 1.00 0.00 H +ATOM 12283 HW2 SOL 3570 38.190 61.040 16.290 1.00 0.00 H +ATOM 12284 OW SOL 3571 38.230 10.420 4.490 1.00 0.00 O +ATOM 12285 HW1 SOL 3571 39.030 10.830 4.160 1.00 0.00 H +ATOM 12286 HW2 SOL 3571 37.960 10.980 5.220 1.00 0.00 H +ATOM 12287 OW SOL 3572 35.190 31.390 12.430 1.00 0.00 O +ATOM 12288 HW1 SOL 3572 35.340 32.180 12.950 1.00 0.00 H +ATOM 12289 HW2 SOL 3572 36.040 30.960 12.400 1.00 0.00 H +ATOM 12290 OW SOL 3573 46.470 38.710 41.650 1.00 0.00 O +ATOM 12291 HW1 SOL 3573 46.990 39.350 41.170 1.00 0.00 H +ATOM 12292 HW2 SOL 3573 45.750 38.480 41.050 1.00 0.00 H +ATOM 12293 OW SOL 3574 18.230 29.700 6.160 1.00 0.00 O +ATOM 12294 HW1 SOL 3574 18.980 29.170 5.890 1.00 0.00 H +ATOM 12295 HW2 SOL 3574 17.580 29.560 5.470 1.00 0.00 H +ATOM 12296 OW SOL 3575 32.060 17.890 21.220 1.00 0.00 O +ATOM 12297 HW1 SOL 3575 32.990 17.910 20.990 1.00 0.00 H +ATOM 12298 HW2 SOL 3575 31.810 16.970 21.150 1.00 0.00 H +ATOM 12299 OW SOL 3576 16.870 36.450 19.170 1.00 0.00 O +ATOM 12300 HW1 SOL 3576 16.210 36.550 18.480 1.00 0.00 H +ATOM 12301 HW2 SOL 3576 17.710 36.410 18.700 1.00 0.00 H +ATOM 12302 OW SOL 3577 3.120 42.300 39.810 1.00 0.00 O +ATOM 12303 HW1 SOL 3577 2.500 43.000 39.590 1.00 0.00 H +ATOM 12304 HW2 SOL 3577 3.610 42.150 39.010 1.00 0.00 H +ATOM 12305 OW SOL 3578 62.080 11.230 43.710 1.00 0.00 O +ATOM 12306 HW1 SOL 3578 62.220 11.130 44.650 1.00 0.00 H +ATOM 12307 HW2 SOL 3578 62.050 12.170 43.570 1.00 0.00 H +ATOM 12308 OW SOL 3579 40.250 42.770 6.350 1.00 0.00 O +ATOM 12309 HW1 SOL 3579 41.120 42.390 6.330 1.00 0.00 H +ATOM 12310 HW2 SOL 3579 39.660 42.020 6.310 1.00 0.00 H +ATOM 12311 OW SOL 3580 35.680 33.240 50.610 1.00 0.00 O +ATOM 12312 HW1 SOL 3580 35.890 32.390 51.000 1.00 0.00 H +ATOM 12313 HW2 SOL 3580 36.060 33.880 51.220 1.00 0.00 H +ATOM 12314 OW SOL 3581 32.400 56.120 39.100 1.00 0.00 O +ATOM 12315 HW1 SOL 3581 32.490 56.770 38.410 1.00 0.00 H +ATOM 12316 HW2 SOL 3581 32.680 56.570 39.900 1.00 0.00 H +ATOM 12317 OW SOL 3582 20.100 13.500 3.350 1.00 0.00 O +ATOM 12318 HW1 SOL 3582 19.970 13.500 2.410 1.00 0.00 H +ATOM 12319 HW2 SOL 3582 19.760 14.350 3.640 1.00 0.00 H +ATOM 12320 OW SOL 3583 34.670 35.830 38.000 1.00 0.00 O +ATOM 12321 HW1 SOL 3583 33.830 35.380 38.030 1.00 0.00 H +ATOM 12322 HW2 SOL 3583 34.890 35.990 38.920 1.00 0.00 H +ATOM 12323 OW SOL 3584 39.440 21.700 44.100 1.00 0.00 O +ATOM 12324 HW1 SOL 3584 39.770 21.440 43.240 1.00 0.00 H +ATOM 12325 HW2 SOL 3584 39.270 20.880 44.550 1.00 0.00 H +ATOM 12326 OW SOL 3585 6.270 32.460 8.190 1.00 0.00 O +ATOM 12327 HW1 SOL 3585 6.310 33.410 8.340 1.00 0.00 H +ATOM 12328 HW2 SOL 3585 6.060 32.090 9.040 1.00 0.00 H +ATOM 12329 OW SOL 3586 61.130 43.820 51.370 1.00 0.00 O +ATOM 12330 HW1 SOL 3586 61.720 44.580 51.370 1.00 0.00 H +ATOM 12331 HW2 SOL 3586 61.610 43.150 50.880 1.00 0.00 H +ATOM 12332 OW SOL 3587 49.240 6.320 22.760 1.00 0.00 O +ATOM 12333 HW1 SOL 3587 49.530 7.010 23.350 1.00 0.00 H +ATOM 12334 HW2 SOL 3587 49.530 5.510 23.180 1.00 0.00 H +ATOM 12335 OW SOL 3588 45.500 18.040 50.260 1.00 0.00 O +ATOM 12336 HW1 SOL 3588 44.910 18.430 49.620 1.00 0.00 H +ATOM 12337 HW2 SOL 3588 46.290 17.820 49.760 1.00 0.00 H +ATOM 12338 OW SOL 3589 51.570 24.470 46.580 1.00 0.00 O +ATOM 12339 HW1 SOL 3589 51.820 23.720 46.050 1.00 0.00 H +ATOM 12340 HW2 SOL 3589 51.970 25.220 46.140 1.00 0.00 H +ATOM 12341 OW SOL 3590 34.930 13.570 36.140 1.00 0.00 O +ATOM 12342 HW1 SOL 3590 34.870 12.650 35.870 1.00 0.00 H +ATOM 12343 HW2 SOL 3590 35.390 14.000 35.430 1.00 0.00 H +ATOM 12344 OW SOL 3591 19.850 46.360 7.530 1.00 0.00 O +ATOM 12345 HW1 SOL 3591 19.370 46.820 8.220 1.00 0.00 H +ATOM 12346 HW2 SOL 3591 19.950 47.000 6.830 1.00 0.00 H +ATOM 12347 OW SOL 3592 6.500 37.840 9.690 1.00 0.00 O +ATOM 12348 HW1 SOL 3592 7.360 38.180 9.460 1.00 0.00 H +ATOM 12349 HW2 SOL 3592 6.330 37.140 9.050 1.00 0.00 H +ATOM 12350 OW SOL 3593 35.540 18.410 37.610 1.00 0.00 O +ATOM 12351 HW1 SOL 3593 35.830 17.950 38.400 1.00 0.00 H +ATOM 12352 HW2 SOL 3593 36.140 18.120 36.930 1.00 0.00 H +ATOM 12353 OW SOL 3594 64.160 36.900 22.090 1.00 0.00 O +ATOM 12354 HW1 SOL 3594 64.590 37.110 21.260 1.00 0.00 H +ATOM 12355 HW2 SOL 3594 63.890 37.740 22.450 1.00 0.00 H +ATOM 12356 OW SOL 3595 59.590 8.480 52.210 1.00 0.00 O +ATOM 12357 HW1 SOL 3595 60.270 9.090 52.500 1.00 0.00 H +ATOM 12358 HW2 SOL 3595 59.920 7.610 52.450 1.00 0.00 H +ATOM 12359 OW SOL 3596 5.480 29.530 18.170 1.00 0.00 O +ATOM 12360 HW1 SOL 3596 6.150 30.210 18.080 1.00 0.00 H +ATOM 12361 HW2 SOL 3596 5.440 29.360 19.110 1.00 0.00 H +ATOM 12362 OW SOL 3597 62.030 33.000 29.550 1.00 0.00 O +ATOM 12363 HW1 SOL 3597 61.670 32.190 29.200 1.00 0.00 H +ATOM 12364 HW2 SOL 3597 62.810 32.730 30.040 1.00 0.00 H +ATOM 12365 OW SOL 3598 48.740 9.000 3.890 1.00 0.00 O +ATOM 12366 HW1 SOL 3598 48.760 8.220 4.440 1.00 0.00 H +ATOM 12367 HW2 SOL 3598 49.660 9.290 3.850 1.00 0.00 H +ATOM 12368 OW SOL 3599 11.580 40.230 12.620 1.00 0.00 O +ATOM 12369 HW1 SOL 3599 10.920 40.670 12.090 1.00 0.00 H +ATOM 12370 HW2 SOL 3599 11.330 39.310 12.600 1.00 0.00 H +ATOM 12371 OW SOL 3600 3.970 32.440 48.650 1.00 0.00 O +ATOM 12372 HW1 SOL 3600 3.140 32.260 49.090 1.00 0.00 H +ATOM 12373 HW2 SOL 3600 4.550 32.750 49.350 1.00 0.00 H +ATOM 12374 OW SOL 3601 34.000 31.840 3.650 1.00 0.00 O +ATOM 12375 HW1 SOL 3601 33.590 32.700 3.700 1.00 0.00 H +ATOM 12376 HW2 SOL 3601 34.720 31.960 3.030 1.00 0.00 H +ATOM 12377 OW SOL 3602 54.210 5.550 23.970 1.00 0.00 O +ATOM 12378 HW1 SOL 3602 55.070 5.770 23.620 1.00 0.00 H +ATOM 12379 HW2 SOL 3602 54.300 5.690 24.920 1.00 0.00 H +ATOM 12380 OW SOL 3603 24.300 27.040 3.980 1.00 0.00 O +ATOM 12381 HW1 SOL 3603 24.050 27.230 3.080 1.00 0.00 H +ATOM 12382 HW2 SOL 3603 24.350 26.080 4.020 1.00 0.00 H +ATOM 12383 OW SOL 3604 20.370 29.960 3.290 1.00 0.00 O +ATOM 12384 HW1 SOL 3604 19.550 29.530 3.030 1.00 0.00 H +ATOM 12385 HW2 SOL 3604 20.840 30.100 2.470 1.00 0.00 H +ATOM 12386 OW SOL 3605 27.250 13.220 49.150 1.00 0.00 O +ATOM 12387 HW1 SOL 3605 27.650 13.410 50.000 1.00 0.00 H +ATOM 12388 HW2 SOL 3605 27.650 13.850 48.550 1.00 0.00 H +ATOM 12389 OW SOL 3606 22.020 46.700 25.760 1.00 0.00 O +ATOM 12390 HW1 SOL 3606 21.200 46.620 25.280 1.00 0.00 H +ATOM 12391 HW2 SOL 3606 22.510 45.910 25.530 1.00 0.00 H +ATOM 12392 OW SOL 3607 50.250 18.010 27.750 1.00 0.00 O +ATOM 12393 HW1 SOL 3607 49.490 17.500 27.490 1.00 0.00 H +ATOM 12394 HW2 SOL 3607 49.920 18.910 27.820 1.00 0.00 H +ATOM 12395 OW SOL 3608 12.990 55.010 8.080 1.00 0.00 O +ATOM 12396 HW1 SOL 3608 12.600 54.560 7.330 1.00 0.00 H +ATOM 12397 HW2 SOL 3608 12.870 55.940 7.900 1.00 0.00 H +ATOM 12398 OW SOL 3609 57.630 16.390 42.810 1.00 0.00 O +ATOM 12399 HW1 SOL 3609 56.960 16.950 42.420 1.00 0.00 H +ATOM 12400 HW2 SOL 3609 57.180 15.970 43.550 1.00 0.00 H +ATOM 12401 OW SOL 3610 24.030 18.710 6.020 1.00 0.00 O +ATOM 12402 HW1 SOL 3610 24.860 18.350 6.320 1.00 0.00 H +ATOM 12403 HW2 SOL 3610 24.040 19.620 6.310 1.00 0.00 H +ATOM 12404 OW SOL 3611 9.190 44.970 22.520 1.00 0.00 O +ATOM 12405 HW1 SOL 3611 8.470 45.320 23.030 1.00 0.00 H +ATOM 12406 HW2 SOL 3611 9.880 45.630 22.600 1.00 0.00 H +ATOM 12407 OW SOL 3612 50.840 38.350 8.420 1.00 0.00 O +ATOM 12408 HW1 SOL 3612 51.280 39.090 7.990 1.00 0.00 H +ATOM 12409 HW2 SOL 3612 51.420 38.120 9.140 1.00 0.00 H +ATOM 12410 OW SOL 3613 16.760 20.030 37.540 1.00 0.00 O +ATOM 12411 HW1 SOL 3613 17.410 19.560 38.060 1.00 0.00 H +ATOM 12412 HW2 SOL 3613 17.250 20.740 37.130 1.00 0.00 H +ATOM 12413 OW SOL 3614 28.420 12.030 41.340 1.00 0.00 O +ATOM 12414 HW1 SOL 3614 27.660 11.460 41.470 1.00 0.00 H +ATOM 12415 HW2 SOL 3614 29.170 11.470 41.510 1.00 0.00 H +ATOM 12416 OW SOL 3615 43.650 17.610 16.610 1.00 0.00 O +ATOM 12417 HW1 SOL 3615 43.590 18.240 15.890 1.00 0.00 H +ATOM 12418 HW2 SOL 3615 43.150 16.850 16.290 1.00 0.00 H +ATOM 12419 OW SOL 3616 15.079 29.487 0.065 1.00 0.00 O +ATOM 12420 HW1 SOL 3616 15.569 30.307 -0.025 1.00 0.00 H +ATOM 12421 HW2 SOL 3616 15.569 28.857 -0.455 1.00 0.00 H +ATOM 12422 OW SOL 3617 12.220 44.700 48.390 1.00 0.00 O +ATOM 12423 HW1 SOL 3617 13.060 45.000 48.730 1.00 0.00 H +ATOM 12424 HW2 SOL 3617 12.350 43.770 48.210 1.00 0.00 H +ATOM 12425 OW SOL 3618 2.800 25.620 25.700 1.00 0.00 O +ATOM 12426 HW1 SOL 3618 3.270 25.760 24.880 1.00 0.00 H +ATOM 12427 HW2 SOL 3618 2.880 24.680 25.870 1.00 0.00 H +ATOM 12428 OW SOL 3619 37.730 11.490 44.100 1.00 0.00 O +ATOM 12429 HW1 SOL 3619 37.630 10.540 44.230 1.00 0.00 H +ATOM 12430 HW2 SOL 3619 37.480 11.630 43.190 1.00 0.00 H +ATOM 12431 OW SOL 3620 51.060 40.200 25.920 1.00 0.00 O +ATOM 12432 HW1 SOL 3620 51.520 39.370 25.830 1.00 0.00 H +ATOM 12433 HW2 SOL 3620 50.280 39.980 26.440 1.00 0.00 H +ATOM 12434 OW SOL 3621 13.290 44.910 29.290 1.00 0.00 O +ATOM 12435 HW1 SOL 3621 12.450 45.300 29.540 1.00 0.00 H +ATOM 12436 HW2 SOL 3621 13.400 44.180 29.900 1.00 0.00 H +ATOM 12437 OW SOL 3622 5.310 18.630 41.310 1.00 0.00 O +ATOM 12438 HW1 SOL 3622 5.990 19.300 41.400 1.00 0.00 H +ATOM 12439 HW2 SOL 3622 4.550 19.110 40.990 1.00 0.00 H +ATOM 12440 OW SOL 3623 33.700 27.000 4.290 1.00 0.00 O +ATOM 12441 HW1 SOL 3623 34.350 27.700 4.370 1.00 0.00 H +ATOM 12442 HW2 SOL 3623 33.840 26.460 5.070 1.00 0.00 H +ATOM 12443 OW SOL 3624 49.200 35.770 27.250 1.00 0.00 O +ATOM 12444 HW1 SOL 3624 48.390 35.330 26.980 1.00 0.00 H +ATOM 12445 HW2 SOL 3624 48.980 36.700 27.250 1.00 0.00 H +ATOM 12446 OW SOL 3625 44.280 33.400 4.790 1.00 0.00 O +ATOM 12447 HW1 SOL 3625 44.000 33.980 4.080 1.00 0.00 H +ATOM 12448 HW2 SOL 3625 44.420 33.990 5.530 1.00 0.00 H +ATOM 12449 OW SOL 3626 60.900 34.750 14.480 1.00 0.00 O +ATOM 12450 HW1 SOL 3626 60.560 35.270 13.760 1.00 0.00 H +ATOM 12451 HW2 SOL 3626 60.190 34.150 14.710 1.00 0.00 H +ATOM 12452 OW SOL 3627 60.630 13.250 36.880 1.00 0.00 O +ATOM 12453 HW1 SOL 3627 59.790 13.360 36.440 1.00 0.00 H +ATOM 12454 HW2 SOL 3627 61.280 13.580 36.260 1.00 0.00 H +ATOM 12455 OW SOL 3628 28.050 45.430 26.860 1.00 0.00 O +ATOM 12456 HW1 SOL 3628 28.400 45.450 27.750 1.00 0.00 H +ATOM 12457 HW2 SOL 3628 27.400 46.130 26.840 1.00 0.00 H +ATOM 12458 OW SOL 3629 42.080 32.810 1.680 1.00 0.00 O +ATOM 12459 HW1 SOL 3629 42.460 31.940 1.790 1.00 0.00 H +ATOM 12460 HW2 SOL 3629 41.360 32.840 2.310 1.00 0.00 H +ATOM 12461 OW SOL 3630 43.540 45.470 38.430 1.00 0.00 O +ATOM 12462 HW1 SOL 3630 44.330 44.940 38.510 1.00 0.00 H +ATOM 12463 HW2 SOL 3630 42.830 44.910 38.750 1.00 0.00 H +ATOM 12464 OW SOL 3631 22.280 43.630 14.650 1.00 0.00 O +ATOM 12465 HW1 SOL 3631 21.840 43.920 15.440 1.00 0.00 H +ATOM 12466 HW2 SOL 3631 21.710 42.960 14.280 1.00 0.00 H +ATOM 12467 OW SOL 3632 30.990 41.690 46.700 1.00 0.00 O +ATOM 12468 HW1 SOL 3632 30.060 41.900 46.630 1.00 0.00 H +ATOM 12469 HW2 SOL 3632 31.300 41.640 45.800 1.00 0.00 H +ATOM 12470 OW SOL 3633 40.200 7.280 0.410 1.00 0.00 O +ATOM 12471 HW1 SOL 3633 40.290 7.220 1.360 1.00 0.00 H +ATOM 12472 HW2 SOL 3633 39.800 6.450 0.150 1.00 0.00 H +ATOM 12473 OW SOL 3634 18.820 20.620 8.690 1.00 0.00 O +ATOM 12474 HW1 SOL 3634 19.570 20.920 9.190 1.00 0.00 H +ATOM 12475 HW2 SOL 3634 18.910 19.670 8.650 1.00 0.00 H +ATOM 12476 OW SOL 3635 0.300 28.590 16.200 1.00 0.00 O +ATOM 12477 HW1 SOL 3635 1.130 28.830 16.600 1.00 0.00 H +ATOM 12478 HW2 SOL 3635 -0.280 28.410 16.940 1.00 0.00 H +ATOM 12479 OW SOL 3636 7.170 17.360 46.470 1.00 0.00 O +ATOM 12480 HW1 SOL 3636 6.700 18.160 46.700 1.00 0.00 H +ATOM 12481 HW2 SOL 3636 7.840 17.650 45.850 1.00 0.00 H +ATOM 12482 OW SOL 3637 30.100 44.030 25.780 1.00 0.00 O +ATOM 12483 HW1 SOL 3637 29.330 44.540 26.040 1.00 0.00 H +ATOM 12484 HW2 SOL 3637 30.370 44.400 24.940 1.00 0.00 H +ATOM 12485 OW SOL 3638 54.670 0.420 31.220 1.00 0.00 O +ATOM 12486 HW1 SOL 3638 54.220 1.260 31.150 1.00 0.00 H +ATOM 12487 HW2 SOL 3638 53.960 -0.230 31.230 1.00 0.00 H +ATOM 12488 OW SOL 3639 24.620 51.200 36.080 1.00 0.00 O +ATOM 12489 HW1 SOL 3639 24.920 50.380 35.680 1.00 0.00 H +ATOM 12490 HW2 SOL 3639 24.320 51.730 35.340 1.00 0.00 H +ATOM 12491 OW SOL 3640 48.670 35.940 52.740 1.00 0.00 O +ATOM 12492 HW1 SOL 3640 47.790 36.180 53.020 1.00 0.00 H +ATOM 12493 HW2 SOL 3640 48.560 35.100 52.290 1.00 0.00 H +ATOM 12494 OW SOL 3641 33.280 22.350 19.790 1.00 0.00 O +ATOM 12495 HW1 SOL 3641 32.900 22.200 18.930 1.00 0.00 H +ATOM 12496 HW2 SOL 3641 32.610 22.060 20.410 1.00 0.00 H +ATOM 12497 OW SOL 3642 18.250 26.640 4.120 1.00 0.00 O +ATOM 12498 HW1 SOL 3642 18.540 26.410 5.000 1.00 0.00 H +ATOM 12499 HW2 SOL 3642 17.460 26.130 3.980 1.00 0.00 H +ATOM 12500 OW SOL 3643 42.830 19.550 8.140 1.00 0.00 O +ATOM 12501 HW1 SOL 3643 43.570 19.170 8.610 1.00 0.00 H +ATOM 12502 HW2 SOL 3643 42.890 19.180 7.260 1.00 0.00 H +ATOM 12503 OW SOL 3644 15.550 44.750 41.720 1.00 0.00 O +ATOM 12504 HW1 SOL 3644 16.350 44.350 42.060 1.00 0.00 H +ATOM 12505 HW2 SOL 3644 15.510 44.460 40.810 1.00 0.00 H +ATOM 12506 OW SOL 3645 57.750 3.800 41.640 1.00 0.00 O +ATOM 12507 HW1 SOL 3645 57.120 4.490 41.470 1.00 0.00 H +ATOM 12508 HW2 SOL 3645 57.240 3.000 41.670 1.00 0.00 H +ATOM 12509 OW SOL 3646 11.900 49.790 40.590 1.00 0.00 O +ATOM 12510 HW1 SOL 3646 11.280 50.350 40.130 1.00 0.00 H +ATOM 12511 HW2 SOL 3646 11.540 48.910 40.500 1.00 0.00 H +ATOM 12512 OW SOL 3647 16.050 58.600 41.490 1.00 0.00 O +ATOM 12513 HW1 SOL 3647 16.290 57.680 41.580 1.00 0.00 H +ATOM 12514 HW2 SOL 3647 16.880 59.050 41.320 1.00 0.00 H +ATOM 12515 OW SOL 3648 62.920 23.800 23.730 1.00 0.00 O +ATOM 12516 HW1 SOL 3648 63.110 22.880 23.570 1.00 0.00 H +ATOM 12517 HW2 SOL 3648 63.670 24.130 24.220 1.00 0.00 H +ATOM 12518 OW SOL 3649 46.890 22.510 21.210 1.00 0.00 O +ATOM 12519 HW1 SOL 3649 47.230 21.820 21.790 1.00 0.00 H +ATOM 12520 HW2 SOL 3649 47.670 23.020 20.980 1.00 0.00 H +ATOM 12521 OW SOL 3650 55.290 12.310 45.410 1.00 0.00 O +ATOM 12522 HW1 SOL 3650 55.100 11.500 45.880 1.00 0.00 H +ATOM 12523 HW2 SOL 3650 54.760 12.970 45.860 1.00 0.00 H +ATOM 12524 OW SOL 3651 15.150 52.500 2.530 1.00 0.00 O +ATOM 12525 HW1 SOL 3651 15.410 52.900 1.700 1.00 0.00 H +ATOM 12526 HW2 SOL 3651 15.190 51.560 2.370 1.00 0.00 H +ATOM 12527 OW SOL 3652 61.840 14.310 13.340 1.00 0.00 O +ATOM 12528 HW1 SOL 3652 61.840 15.100 13.870 1.00 0.00 H +ATOM 12529 HW2 SOL 3652 61.050 14.390 12.790 1.00 0.00 H +ATOM 12530 OW SOL 3653 42.360 18.360 4.190 1.00 0.00 O +ATOM 12531 HW1 SOL 3653 43.030 18.190 4.850 1.00 0.00 H +ATOM 12532 HW2 SOL 3653 41.690 18.860 4.660 1.00 0.00 H +ATOM 12533 OW SOL 3654 18.750 22.790 18.550 1.00 0.00 O +ATOM 12534 HW1 SOL 3654 19.220 23.400 19.110 1.00 0.00 H +ATOM 12535 HW2 SOL 3654 19.130 22.910 17.680 1.00 0.00 H +ATOM 12536 OW SOL 3655 53.070 27.050 40.350 1.00 0.00 O +ATOM 12537 HW1 SOL 3655 53.170 27.650 41.090 1.00 0.00 H +ATOM 12538 HW2 SOL 3655 53.010 27.620 39.590 1.00 0.00 H +ATOM 12539 OW SOL 3656 59.770 23.880 51.020 1.00 0.00 O +ATOM 12540 HW1 SOL 3656 60.110 23.730 51.900 1.00 0.00 H +ATOM 12541 HW2 SOL 3656 59.050 24.500 51.150 1.00 0.00 H +ATOM 12542 OW SOL 3657 40.510 3.510 47.550 1.00 0.00 O +ATOM 12543 HW1 SOL 3657 40.270 4.440 47.600 1.00 0.00 H +ATOM 12544 HW2 SOL 3657 40.970 3.340 48.380 1.00 0.00 H +ATOM 12545 OW SOL 3658 35.560 54.380 47.570 1.00 0.00 O +ATOM 12546 HW1 SOL 3658 36.190 54.890 47.070 1.00 0.00 H +ATOM 12547 HW2 SOL 3658 36.040 53.580 47.810 1.00 0.00 H +ATOM 12548 OW SOL 3659 30.160 25.130 48.060 1.00 0.00 O +ATOM 12549 HW1 SOL 3659 30.380 25.490 48.920 1.00 0.00 H +ATOM 12550 HW2 SOL 3659 30.980 25.160 47.570 1.00 0.00 H +ATOM 12551 OW SOL 3660 56.510 56.070 38.090 1.00 0.00 O +ATOM 12552 HW1 SOL 3660 57.130 56.660 37.660 1.00 0.00 H +ATOM 12553 HW2 SOL 3660 56.400 55.360 37.460 1.00 0.00 H +ATOM 12554 OW SOL 3661 40.662 47.699 0.285 1.00 0.00 O +ATOM 12555 HW1 SOL 3661 41.092 47.099 -0.335 1.00 0.00 H +ATOM 12556 HW2 SOL 3661 39.942 48.079 -0.215 1.00 0.00 H +ATOM 12557 OW SOL 3662 43.630 38.660 50.880 1.00 0.00 O +ATOM 12558 HW1 SOL 3662 42.800 38.970 50.510 1.00 0.00 H +ATOM 12559 HW2 SOL 3662 44.300 39.150 50.400 1.00 0.00 H +ATOM 12560 OW SOL 3663 11.930 10.570 8.330 1.00 0.00 O +ATOM 12561 HW1 SOL 3663 12.540 11.110 8.830 1.00 0.00 H +ATOM 12562 HW2 SOL 3663 12.210 10.670 7.420 1.00 0.00 H +ATOM 12563 OW SOL 3664 15.580 0.210 4.000 1.00 0.00 O +ATOM 12564 HW1 SOL 3664 14.630 0.180 4.050 1.00 0.00 H +ATOM 12565 HW2 SOL 3664 15.770 1.100 3.690 1.00 0.00 H +ATOM 12566 OW SOL 3665 34.600 10.640 17.120 1.00 0.00 O +ATOM 12567 HW1 SOL 3665 35.070 11.320 17.610 1.00 0.00 H +ATOM 12568 HW2 SOL 3665 34.860 10.770 16.210 1.00 0.00 H +ATOM 12569 OW SOL 3666 20.920 21.910 2.230 1.00 0.00 O +ATOM 12570 HW1 SOL 3666 21.740 21.420 2.300 1.00 0.00 H +ATOM 12571 HW2 SOL 3666 20.560 21.650 1.380 1.00 0.00 H +ATOM 12572 OW SOL 3667 54.270 47.410 24.980 1.00 0.00 O +ATOM 12573 HW1 SOL 3667 54.920 46.740 25.180 1.00 0.00 H +ATOM 12574 HW2 SOL 3667 54.660 47.920 24.270 1.00 0.00 H +ATOM 12575 OW SOL 3668 12.900 10.240 45.640 1.00 0.00 O +ATOM 12576 HW1 SOL 3668 12.220 9.820 45.100 1.00 0.00 H +ATOM 12577 HW2 SOL 3668 13.700 10.140 45.130 1.00 0.00 H +ATOM 12578 OW SOL 3669 30.070 9.910 42.700 1.00 0.00 O +ATOM 12579 HW1 SOL 3669 30.940 10.280 42.870 1.00 0.00 H +ATOM 12580 HW2 SOL 3669 29.840 9.450 43.520 1.00 0.00 H +ATOM 12581 OW SOL 3670 4.760 1.210 2.030 1.00 0.00 O +ATOM 12582 HW1 SOL 3670 4.990 2.140 2.000 1.00 0.00 H +ATOM 12583 HW2 SOL 3670 4.140 1.150 2.760 1.00 0.00 H +ATOM 12584 OW SOL 3671 54.340 24.840 41.960 1.00 0.00 O +ATOM 12585 HW1 SOL 3671 54.710 25.380 42.660 1.00 0.00 H +ATOM 12586 HW2 SOL 3671 53.590 25.340 41.640 1.00 0.00 H +ATOM 12587 OW SOL 3672 6.480 49.310 15.430 1.00 0.00 O +ATOM 12588 HW1 SOL 3672 6.770 50.170 15.740 1.00 0.00 H +ATOM 12589 HW2 SOL 3672 6.640 49.330 14.480 1.00 0.00 H +ATOM 12590 OW SOL 3673 40.890 49.410 38.080 1.00 0.00 O +ATOM 12591 HW1 SOL 3673 41.690 49.130 37.640 1.00 0.00 H +ATOM 12592 HW2 SOL 3673 41.070 50.290 38.390 1.00 0.00 H +ATOM 12593 OW SOL 3674 17.060 26.590 16.260 1.00 0.00 O +ATOM 12594 HW1 SOL 3674 16.590 27.390 16.050 1.00 0.00 H +ATOM 12595 HW2 SOL 3674 16.580 26.210 16.990 1.00 0.00 H +ATOM 12596 OW SOL 3675 42.570 61.010 21.660 1.00 0.00 O +ATOM 12597 HW1 SOL 3675 42.720 61.890 22.000 1.00 0.00 H +ATOM 12598 HW2 SOL 3675 43.440 60.680 21.460 1.00 0.00 H +ATOM 12599 OW SOL 3676 12.780 18.650 12.580 1.00 0.00 O +ATOM 12600 HW1 SOL 3676 13.270 17.840 12.490 1.00 0.00 H +ATOM 12601 HW2 SOL 3676 13.450 19.340 12.600 1.00 0.00 H +ATOM 12602 OW SOL 3677 27.880 7.290 43.200 1.00 0.00 O +ATOM 12603 HW1 SOL 3677 28.330 7.640 43.970 1.00 0.00 H +ATOM 12604 HW2 SOL 3677 28.530 6.740 42.770 1.00 0.00 H +ATOM 12605 OW SOL 3678 65.610 37.160 25.240 1.00 0.00 O +ATOM 12606 HW1 SOL 3678 64.790 37.650 25.260 1.00 0.00 H +ATOM 12607 HW2 SOL 3678 65.390 36.350 24.770 1.00 0.00 H +ATOM 12608 OW SOL 3679 33.540 54.900 36.730 1.00 0.00 O +ATOM 12609 HW1 SOL 3679 32.620 54.740 36.940 1.00 0.00 H +ATOM 12610 HW2 SOL 3679 33.530 55.740 36.270 1.00 0.00 H +ATOM 12611 OW SOL 3680 6.980 27.970 47.440 1.00 0.00 O +ATOM 12612 HW1 SOL 3680 7.410 27.920 46.590 1.00 0.00 H +ATOM 12613 HW2 SOL 3680 7.100 27.100 47.820 1.00 0.00 H +ATOM 12614 OW SOL 3681 56.090 14.210 1.290 1.00 0.00 O +ATOM 12615 HW1 SOL 3681 55.180 14.480 1.440 1.00 0.00 H +ATOM 12616 HW2 SOL 3681 56.230 13.500 1.910 1.00 0.00 H +ATOM 12617 OW SOL 3682 1.230 18.170 4.480 1.00 0.00 O +ATOM 12618 HW1 SOL 3682 1.500 17.270 4.270 1.00 0.00 H +ATOM 12619 HW2 SOL 3682 0.990 18.130 5.400 1.00 0.00 H +ATOM 12620 OW SOL 3683 63.040 20.950 45.550 1.00 0.00 O +ATOM 12621 HW1 SOL 3683 63.120 21.650 46.200 1.00 0.00 H +ATOM 12622 HW2 SOL 3683 62.100 20.850 45.430 1.00 0.00 H +ATOM 12623 OW SOL 3684 57.500 17.890 32.960 1.00 0.00 O +ATOM 12624 HW1 SOL 3684 58.190 18.200 32.370 1.00 0.00 H +ATOM 12625 HW2 SOL 3684 56.900 18.630 33.030 1.00 0.00 H +ATOM 12626 OW SOL 3685 5.042 46.219 0.195 1.00 0.00 O +ATOM 12627 HW1 SOL 3685 4.842 45.339 0.495 1.00 0.00 H +ATOM 12628 HW2 SOL 3685 4.982 46.169 -0.765 1.00 0.00 H +ATOM 12629 OW SOL 3686 10.050 52.500 16.040 1.00 0.00 O +ATOM 12630 HW1 SOL 3686 9.620 53.180 15.520 1.00 0.00 H +ATOM 12631 HW2 SOL 3686 10.330 52.960 16.840 1.00 0.00 H +ATOM 12632 OW SOL 3687 19.600 46.550 51.510 1.00 0.00 O +ATOM 12633 HW1 SOL 3687 19.780 46.810 52.420 1.00 0.00 H +ATOM 12634 HW2 SOL 3687 19.600 47.380 51.030 1.00 0.00 H +ATOM 12635 OW SOL 3688 52.600 34.290 3.850 1.00 0.00 O +ATOM 12636 HW1 SOL 3688 53.450 33.840 3.820 1.00 0.00 H +ATOM 12637 HW2 SOL 3688 52.820 35.220 3.760 1.00 0.00 H +ATOM 12638 OW SOL 3689 20.460 54.380 36.560 1.00 0.00 O +ATOM 12639 HW1 SOL 3689 20.670 55.050 35.920 1.00 0.00 H +ATOM 12640 HW2 SOL 3689 21.080 54.520 37.270 1.00 0.00 H +ATOM 12641 OW SOL 3690 35.060 31.400 17.600 1.00 0.00 O +ATOM 12642 HW1 SOL 3690 35.150 30.550 18.040 1.00 0.00 H +ATOM 12643 HW2 SOL 3690 35.950 31.630 17.340 1.00 0.00 H +ATOM 12644 OW SOL 3691 5.040 58.940 36.380 1.00 0.00 O +ATOM 12645 HW1 SOL 3691 5.640 59.680 36.460 1.00 0.00 H +ATOM 12646 HW2 SOL 3691 4.290 59.180 36.940 1.00 0.00 H +ATOM 12647 OW SOL 3692 23.020 26.720 21.660 1.00 0.00 O +ATOM 12648 HW1 SOL 3692 23.900 26.370 21.510 1.00 0.00 H +ATOM 12649 HW2 SOL 3692 22.480 25.950 21.860 1.00 0.00 H +ATOM 12650 OW SOL 3693 27.630 34.180 3.800 1.00 0.00 O +ATOM 12651 HW1 SOL 3693 26.690 34.010 3.810 1.00 0.00 H +ATOM 12652 HW2 SOL 3693 27.740 34.850 3.130 1.00 0.00 H +ATOM 12653 OW SOL 3694 53.360 12.630 3.360 1.00 0.00 O +ATOM 12654 HW1 SOL 3694 54.080 12.140 3.750 1.00 0.00 H +ATOM 12655 HW2 SOL 3694 52.770 12.810 4.100 1.00 0.00 H +ATOM 12656 OW SOL 3695 35.230 12.230 1.040 1.00 0.00 O +ATOM 12657 HW1 SOL 3695 35.240 12.730 0.220 1.00 0.00 H +ATOM 12658 HW2 SOL 3695 34.770 12.790 1.660 1.00 0.00 H +ATOM 12659 OW SOL 3696 54.980 8.860 13.650 1.00 0.00 O +ATOM 12660 HW1 SOL 3696 55.570 8.760 12.910 1.00 0.00 H +ATOM 12661 HW2 SOL 3696 54.160 8.450 13.370 1.00 0.00 H +ATOM 12662 OW SOL 3697 13.990 7.180 1.820 1.00 0.00 O +ATOM 12663 HW1 SOL 3697 14.020 6.360 1.320 1.00 0.00 H +ATOM 12664 HW2 SOL 3697 14.190 6.920 2.720 1.00 0.00 H +ATOM 12665 OW SOL 3698 10.430 21.630 20.610 1.00 0.00 O +ATOM 12666 HW1 SOL 3698 9.830 20.930 20.860 1.00 0.00 H +ATOM 12667 HW2 SOL 3698 11.230 21.440 21.100 1.00 0.00 H +ATOM 12668 OW SOL 3699 62.380 17.330 25.770 1.00 0.00 O +ATOM 12669 HW1 SOL 3699 61.590 17.800 25.510 1.00 0.00 H +ATOM 12670 HW2 SOL 3699 63.090 17.940 25.600 1.00 0.00 H +ATOM 12671 OW SOL 3700 6.400 59.590 31.030 1.00 0.00 O +ATOM 12672 HW1 SOL 3700 6.720 60.050 31.810 1.00 0.00 H +ATOM 12673 HW2 SOL 3700 7.130 59.650 30.410 1.00 0.00 H +ATOM 12674 OW SOL 3701 19.940 21.710 46.830 1.00 0.00 O +ATOM 12675 HW1 SOL 3701 19.660 21.360 45.980 1.00 0.00 H +ATOM 12676 HW2 SOL 3701 20.510 21.030 47.190 1.00 0.00 H +ATOM 12677 OW SOL 3702 64.430 59.600 4.830 1.00 0.00 O +ATOM 12678 HW1 SOL 3702 64.580 59.260 5.710 1.00 0.00 H +ATOM 12679 HW2 SOL 3702 65.120 59.190 4.300 1.00 0.00 H +ATOM 12680 OW SOL 3703 1.310 52.400 38.700 1.00 0.00 O +ATOM 12681 HW1 SOL 3703 1.140 51.880 39.490 1.00 0.00 H +ATOM 12682 HW2 SOL 3703 0.850 53.220 38.850 1.00 0.00 H +ATOM 12683 OW SOL 3704 63.240 56.480 6.680 1.00 0.00 O +ATOM 12684 HW1 SOL 3704 63.670 55.990 7.380 1.00 0.00 H +ATOM 12685 HW2 SOL 3704 62.300 56.420 6.880 1.00 0.00 H +ATOM 12686 OW SOL 3705 64.150 39.290 47.980 1.00 0.00 O +ATOM 12687 HW1 SOL 3705 63.440 38.990 48.540 1.00 0.00 H +ATOM 12688 HW2 SOL 3705 63.770 39.340 47.110 1.00 0.00 H +ATOM 12689 OW SOL 3706 64.090 27.380 11.530 1.00 0.00 O +ATOM 12690 HW1 SOL 3706 64.750 27.530 12.200 1.00 0.00 H +ATOM 12691 HW2 SOL 3706 63.650 26.580 11.800 1.00 0.00 H +ATOM 12692 OW SOL 3707 56.910 40.660 27.040 1.00 0.00 O +ATOM 12693 HW1 SOL 3707 57.650 41.080 27.480 1.00 0.00 H +ATOM 12694 HW2 SOL 3707 56.920 41.020 26.150 1.00 0.00 H +ATOM 12695 OW SOL 3708 24.720 17.470 18.730 1.00 0.00 O +ATOM 12696 HW1 SOL 3708 25.220 18.160 19.160 1.00 0.00 H +ATOM 12697 HW2 SOL 3708 25.230 16.670 18.880 1.00 0.00 H +ATOM 12698 OW SOL 3709 45.380 12.040 31.660 1.00 0.00 O +ATOM 12699 HW1 SOL 3709 45.890 12.820 31.440 1.00 0.00 H +ATOM 12700 HW2 SOL 3709 45.250 11.600 30.820 1.00 0.00 H +ATOM 12701 OW SOL 3710 19.430 59.950 32.810 1.00 0.00 O +ATOM 12702 HW1 SOL 3710 20.120 59.290 32.720 1.00 0.00 H +ATOM 12703 HW2 SOL 3710 19.340 60.080 33.750 1.00 0.00 H +ATOM 12704 OW SOL 3711 11.440 20.760 0.520 1.00 0.00 O +ATOM 12705 HW1 SOL 3711 11.330 21.380 -0.200 1.00 0.00 H +ATOM 12706 HW2 SOL 3711 10.550 20.470 0.720 1.00 0.00 H +ATOM 12707 OW SOL 3712 64.380 18.020 9.940 1.00 0.00 O +ATOM 12708 HW1 SOL 3712 63.940 18.000 9.090 1.00 0.00 H +ATOM 12709 HW2 SOL 3712 64.490 17.100 10.180 1.00 0.00 H +ATOM 12710 OW SOL 3713 58.890 15.310 26.560 1.00 0.00 O +ATOM 12711 HW1 SOL 3713 58.640 14.980 25.700 1.00 0.00 H +ATOM 12712 HW2 SOL 3713 58.310 14.860 27.170 1.00 0.00 H +ATOM 12713 OW SOL 3714 12.690 56.870 35.220 1.00 0.00 O +ATOM 12714 HW1 SOL 3714 12.600 57.120 34.300 1.00 0.00 H +ATOM 12715 HW2 SOL 3714 12.570 57.680 35.710 1.00 0.00 H +ATOM 12716 OW SOL 3715 38.650 54.420 41.890 1.00 0.00 O +ATOM 12717 HW1 SOL 3715 38.210 53.970 42.610 1.00 0.00 H +ATOM 12718 HW2 SOL 3715 38.790 53.750 41.230 1.00 0.00 H +ATOM 12719 OW SOL 3716 31.840 12.090 43.040 1.00 0.00 O +ATOM 12720 HW1 SOL 3716 31.870 12.550 42.200 1.00 0.00 H +ATOM 12721 HW2 SOL 3716 31.810 12.780 43.700 1.00 0.00 H +ATOM 12722 OW SOL 3717 16.120 59.070 0.770 1.00 0.00 O +ATOM 12723 HW1 SOL 3717 16.330 58.990 1.700 1.00 0.00 H +ATOM 12724 HW2 SOL 3717 15.250 58.690 0.690 1.00 0.00 H +ATOM 12725 OW SOL 3718 34.290 23.950 28.870 1.00 0.00 O +ATOM 12726 HW1 SOL 3718 34.590 24.650 28.290 1.00 0.00 H +ATOM 12727 HW2 SOL 3718 35.080 23.470 29.110 1.00 0.00 H +ATOM 12728 OW SOL 3719 0.330 10.770 14.710 1.00 0.00 O +ATOM 12729 HW1 SOL 3719 -0.410 10.170 14.700 1.00 0.00 H +ATOM 12730 HW2 SOL 3719 0.360 11.150 13.830 1.00 0.00 H +ATOM 12731 OW SOL 3720 23.990 1.880 44.640 1.00 0.00 O +ATOM 12732 HW1 SOL 3720 24.400 2.670 44.300 1.00 0.00 H +ATOM 12733 HW2 SOL 3720 23.190 2.200 45.060 1.00 0.00 H +ATOM 12734 OW SOL 3721 53.090 61.380 36.100 1.00 0.00 O +ATOM 12735 HW1 SOL 3721 53.210 62.210 36.550 1.00 0.00 H +ATOM 12736 HW2 SOL 3721 52.370 60.950 36.570 1.00 0.00 H +ATOM 12737 OW SOL 3722 6.340 4.680 7.490 1.00 0.00 O +ATOM 12738 HW1 SOL 3722 6.890 5.210 8.080 1.00 0.00 H +ATOM 12739 HW2 SOL 3722 5.450 4.990 7.660 1.00 0.00 H +ATOM 12740 OW SOL 3723 32.870 8.110 38.410 1.00 0.00 O +ATOM 12741 HW1 SOL 3723 32.940 7.170 38.580 1.00 0.00 H +ATOM 12742 HW2 SOL 3723 32.490 8.470 39.210 1.00 0.00 H +ATOM 12743 OW SOL 3724 36.100 60.560 13.400 1.00 0.00 O +ATOM 12744 HW1 SOL 3724 36.100 59.920 12.690 1.00 0.00 H +ATOM 12745 HW2 SOL 3724 36.520 60.110 14.130 1.00 0.00 H +ATOM 12746 OW SOL 3725 54.030 40.720 53.200 1.00 0.00 O +ATOM 12747 HW1 SOL 3725 54.830 40.210 53.320 1.00 0.00 H +ATOM 12748 HW2 SOL 3725 54.320 41.640 53.280 1.00 0.00 H +ATOM 12749 OW SOL 3726 5.440 8.240 20.850 1.00 0.00 O +ATOM 12750 HW1 SOL 3726 5.660 9.020 21.370 1.00 0.00 H +ATOM 12751 HW2 SOL 3726 5.070 7.630 21.480 1.00 0.00 H +ATOM 12752 OW SOL 3727 51.730 9.720 40.570 1.00 0.00 O +ATOM 12753 HW1 SOL 3727 51.550 10.640 40.370 1.00 0.00 H +ATOM 12754 HW2 SOL 3727 52.260 9.420 39.830 1.00 0.00 H +ATOM 12755 OW SOL 3728 46.880 10.050 50.270 1.00 0.00 O +ATOM 12756 HW1 SOL 3728 46.850 10.990 50.450 1.00 0.00 H +ATOM 12757 HW2 SOL 3728 46.380 9.940 49.460 1.00 0.00 H +ATOM 12758 OW SOL 3729 14.340 50.590 30.650 1.00 0.00 O +ATOM 12759 HW1 SOL 3729 13.940 50.010 31.290 1.00 0.00 H +ATOM 12760 HW2 SOL 3729 14.620 50.010 29.940 1.00 0.00 H +ATOM 12761 OW SOL 3730 47.830 37.820 47.730 1.00 0.00 O +ATOM 12762 HW1 SOL 3730 46.960 38.110 47.480 1.00 0.00 H +ATOM 12763 HW2 SOL 3730 48.060 38.350 48.490 1.00 0.00 H +ATOM 12764 OW SOL 3731 48.480 29.090 14.570 1.00 0.00 O +ATOM 12765 HW1 SOL 3731 49.400 29.180 14.810 1.00 0.00 H +ATOM 12766 HW2 SOL 3731 48.090 28.640 15.320 1.00 0.00 H +ATOM 12767 OW SOL 3732 5.990 35.650 23.860 1.00 0.00 O +ATOM 12768 HW1 SOL 3732 6.810 35.760 23.380 1.00 0.00 H +ATOM 12769 HW2 SOL 3732 5.690 36.550 24.020 1.00 0.00 H +ATOM 12770 OW SOL 3733 22.320 3.150 30.550 1.00 0.00 O +ATOM 12771 HW1 SOL 3733 21.530 2.620 30.590 1.00 0.00 H +ATOM 12772 HW2 SOL 3733 22.010 4.060 30.520 1.00 0.00 H +ATOM 12773 OW SOL 3734 59.280 11.200 50.370 1.00 0.00 O +ATOM 12774 HW1 SOL 3734 60.000 11.160 51.010 1.00 0.00 H +ATOM 12775 HW2 SOL 3734 58.810 12.000 50.580 1.00 0.00 H +ATOM 12776 OW SOL 3735 42.670 45.540 10.960 1.00 0.00 O +ATOM 12777 HW1 SOL 3735 43.360 46.180 11.080 1.00 0.00 H +ATOM 12778 HW2 SOL 3735 41.980 45.810 11.570 1.00 0.00 H +ATOM 12779 OW SOL 3736 64.030 9.200 14.460 1.00 0.00 O +ATOM 12780 HW1 SOL 3736 64.240 8.600 13.740 1.00 0.00 H +ATOM 12781 HW2 SOL 3736 63.410 8.710 15.000 1.00 0.00 H +ATOM 12782 OW SOL 3737 27.260 27.740 31.480 1.00 0.00 O +ATOM 12783 HW1 SOL 3737 27.480 27.700 30.550 1.00 0.00 H +ATOM 12784 HW2 SOL 3737 27.390 26.850 31.800 1.00 0.00 H +ATOM 12785 OW SOL 3738 8.360 16.390 43.060 1.00 0.00 O +ATOM 12786 HW1 SOL 3738 9.050 15.740 42.880 1.00 0.00 H +ATOM 12787 HW2 SOL 3738 8.830 17.140 43.420 1.00 0.00 H +ATOM 12788 OW SOL 3739 56.020 18.220 41.320 1.00 0.00 O +ATOM 12789 HW1 SOL 3739 55.300 18.610 41.810 1.00 0.00 H +ATOM 12790 HW2 SOL 3739 56.200 18.850 40.620 1.00 0.00 H +ATOM 12791 OW SOL 3740 64.000 44.440 49.830 1.00 0.00 O +ATOM 12792 HW1 SOL 3740 64.680 44.450 49.160 1.00 0.00 H +ATOM 12793 HW2 SOL 3740 63.500 43.640 49.660 1.00 0.00 H +ATOM 12794 OW SOL 3741 48.070 5.490 16.270 1.00 0.00 O +ATOM 12795 HW1 SOL 3741 47.580 6.310 16.250 1.00 0.00 H +ATOM 12796 HW2 SOL 3741 48.820 5.660 16.830 1.00 0.00 H +ATOM 12797 OW SOL 3742 9.130 22.170 6.400 1.00 0.00 O +ATOM 12798 HW1 SOL 3742 9.460 22.930 5.910 1.00 0.00 H +ATOM 12799 HW2 SOL 3742 9.720 22.110 7.150 1.00 0.00 H +ATOM 12800 OW SOL 3743 52.870 10.760 20.970 1.00 0.00 O +ATOM 12801 HW1 SOL 3743 52.500 9.960 21.350 1.00 0.00 H +ATOM 12802 HW2 SOL 3743 53.110 10.500 20.080 1.00 0.00 H +ATOM 12803 OW SOL 3744 25.680 2.670 19.250 1.00 0.00 O +ATOM 12804 HW1 SOL 3744 24.860 2.230 19.500 1.00 0.00 H +ATOM 12805 HW2 SOL 3744 26.200 1.980 18.840 1.00 0.00 H +ATOM 12806 OW SOL 3745 42.230 7.920 27.240 1.00 0.00 O +ATOM 12807 HW1 SOL 3745 41.530 7.290 27.070 1.00 0.00 H +ATOM 12808 HW2 SOL 3745 42.800 7.490 27.870 1.00 0.00 H +ATOM 12809 OW SOL 3746 39.420 58.580 34.390 1.00 0.00 O +ATOM 12810 HW1 SOL 3746 38.840 58.230 35.060 1.00 0.00 H +ATOM 12811 HW2 SOL 3746 39.570 57.850 33.790 1.00 0.00 H +ATOM 12812 OW SOL 3747 44.800 5.650 49.130 1.00 0.00 O +ATOM 12813 HW1 SOL 3747 45.130 5.920 49.990 1.00 0.00 H +ATOM 12814 HW2 SOL 3747 45.490 5.090 48.780 1.00 0.00 H +ATOM 12815 OW SOL 3748 38.200 12.200 1.760 1.00 0.00 O +ATOM 12816 HW1 SOL 3748 37.990 12.740 2.520 1.00 0.00 H +ATOM 12817 HW2 SOL 3748 37.350 12.020 1.350 1.00 0.00 H +ATOM 12818 OW SOL 3749 49.330 59.690 53.420 1.00 0.00 O +ATOM 12819 HW1 SOL 3749 48.570 60.190 53.130 1.00 0.00 H +ATOM 12820 HW2 SOL 3749 49.220 58.830 53.020 1.00 0.00 H +ATOM 12821 OW SOL 3750 53.490 57.430 38.610 1.00 0.00 O +ATOM 12822 HW1 SOL 3750 53.470 56.790 39.320 1.00 0.00 H +ATOM 12823 HW2 SOL 3750 54.360 57.830 38.670 1.00 0.00 H +ATOM 12824 OW SOL 3751 23.200 0.070 42.020 1.00 0.00 O +ATOM 12825 HW1 SOL 3751 23.160 0.990 42.290 1.00 0.00 H +ATOM 12826 HW2 SOL 3751 23.920 0.050 41.380 1.00 0.00 H +ATOM 12827 OW SOL 3752 15.350 59.920 44.030 1.00 0.00 O +ATOM 12828 HW1 SOL 3752 14.400 59.770 44.040 1.00 0.00 H +ATOM 12829 HW2 SOL 3752 15.670 59.300 43.370 1.00 0.00 H +ATOM 12830 OW SOL 3753 41.300 39.810 0.530 1.00 0.00 O +ATOM 12831 HW1 SOL 3753 41.450 39.370 -0.310 1.00 0.00 H +ATOM 12832 HW2 SOL 3753 42.120 39.690 1.010 1.00 0.00 H +ATOM 12833 OW SOL 3754 38.600 21.910 50.140 1.00 0.00 O +ATOM 12834 HW1 SOL 3754 38.300 21.010 49.990 1.00 0.00 H +ATOM 12835 HW2 SOL 3754 38.530 22.330 49.280 1.00 0.00 H +ATOM 12836 OW SOL 3755 26.880 15.780 19.320 1.00 0.00 O +ATOM 12837 HW1 SOL 3755 27.170 15.880 18.410 1.00 0.00 H +ATOM 12838 HW2 SOL 3755 26.860 14.830 19.460 1.00 0.00 H +ATOM 12839 OW SOL 3756 25.000 22.420 51.440 1.00 0.00 O +ATOM 12840 HW1 SOL 3756 24.690 23.260 51.120 1.00 0.00 H +ATOM 12841 HW2 SOL 3756 25.110 21.890 50.660 1.00 0.00 H +ATOM 12842 OW SOL 3757 9.830 3.270 31.770 1.00 0.00 O +ATOM 12843 HW1 SOL 3757 10.350 3.690 32.450 1.00 0.00 H +ATOM 12844 HW2 SOL 3757 9.150 3.910 31.550 1.00 0.00 H +ATOM 12845 OW SOL 3758 56.930 7.810 47.930 1.00 0.00 O +ATOM 12846 HW1 SOL 3758 56.470 7.120 47.440 1.00 0.00 H +ATOM 12847 HW2 SOL 3758 57.740 7.400 48.220 1.00 0.00 H +ATOM 12848 OW SOL 3759 30.730 37.840 47.410 1.00 0.00 O +ATOM 12849 HW1 SOL 3759 30.320 38.080 46.580 1.00 0.00 H +ATOM 12850 HW2 SOL 3759 31.580 37.490 47.170 1.00 0.00 H +ATOM 12851 OW SOL 3760 52.820 30.770 33.100 1.00 0.00 O +ATOM 12852 HW1 SOL 3760 53.130 30.570 33.980 1.00 0.00 H +ATOM 12853 HW2 SOL 3760 51.950 30.370 33.050 1.00 0.00 H +ATOM 12854 OW SOL 3761 10.930 6.510 17.470 1.00 0.00 O +ATOM 12855 HW1 SOL 3761 10.240 7.040 17.870 1.00 0.00 H +ATOM 12856 HW2 SOL 3761 10.770 6.570 16.530 1.00 0.00 H +ATOM 12857 OW SOL 3762 6.850 2.380 38.190 1.00 0.00 O +ATOM 12858 HW1 SOL 3762 6.430 2.790 37.440 1.00 0.00 H +ATOM 12859 HW2 SOL 3762 6.620 2.950 38.930 1.00 0.00 H +ATOM 12860 OW SOL 3763 18.050 9.300 44.100 1.00 0.00 O +ATOM 12861 HW1 SOL 3763 17.500 8.520 43.990 1.00 0.00 H +ATOM 12862 HW2 SOL 3763 17.990 9.750 43.260 1.00 0.00 H +ATOM 12863 OW SOL 3764 60.110 17.660 42.940 1.00 0.00 O +ATOM 12864 HW1 SOL 3764 60.570 17.270 42.200 1.00 0.00 H +ATOM 12865 HW2 SOL 3764 59.210 17.320 42.870 1.00 0.00 H +ATOM 12866 OW SOL 3765 61.950 47.310 25.680 1.00 0.00 O +ATOM 12867 HW1 SOL 3765 61.040 47.590 25.580 1.00 0.00 H +ATOM 12868 HW2 SOL 3765 62.390 48.050 26.100 1.00 0.00 H +ATOM 12869 OW SOL 3766 41.430 48.780 21.750 1.00 0.00 O +ATOM 12870 HW1 SOL 3766 41.620 48.010 22.290 1.00 0.00 H +ATOM 12871 HW2 SOL 3766 42.170 49.360 21.890 1.00 0.00 H +ATOM 12872 OW SOL 3767 19.720 38.860 24.590 1.00 0.00 O +ATOM 12873 HW1 SOL 3767 19.000 39.430 24.840 1.00 0.00 H +ATOM 12874 HW2 SOL 3767 20.230 39.370 23.970 1.00 0.00 H +ATOM 12875 OW SOL 3768 62.540 7.000 23.680 1.00 0.00 O +ATOM 12876 HW1 SOL 3768 63.140 6.390 24.120 1.00 0.00 H +ATOM 12877 HW2 SOL 3768 63.090 7.480 23.060 1.00 0.00 H +ATOM 12878 OW SOL 3769 49.200 27.550 28.300 1.00 0.00 O +ATOM 12879 HW1 SOL 3769 48.270 27.780 28.210 1.00 0.00 H +ATOM 12880 HW2 SOL 3769 49.500 27.370 27.410 1.00 0.00 H +ATOM 12881 OW SOL 3770 2.490 53.420 6.500 1.00 0.00 O +ATOM 12882 HW1 SOL 3770 2.040 53.370 5.660 1.00 0.00 H +ATOM 12883 HW2 SOL 3770 3.340 53.810 6.310 1.00 0.00 H +ATOM 12884 OW SOL 3771 45.340 10.640 16.590 1.00 0.00 O +ATOM 12885 HW1 SOL 3771 46.020 10.680 17.270 1.00 0.00 H +ATOM 12886 HW2 SOL 3771 44.560 11.000 17.010 1.00 0.00 H +ATOM 12887 OW SOL 3772 50.380 54.170 22.260 1.00 0.00 O +ATOM 12888 HW1 SOL 3772 51.270 53.890 22.450 1.00 0.00 H +ATOM 12889 HW2 SOL 3772 50.460 55.100 22.050 1.00 0.00 H +ATOM 12890 OW SOL 3773 31.910 28.470 26.740 1.00 0.00 O +ATOM 12891 HW1 SOL 3773 31.910 28.410 27.700 1.00 0.00 H +ATOM 12892 HW2 SOL 3773 31.360 27.730 26.460 1.00 0.00 H +ATOM 12893 OW SOL 3774 41.240 12.450 23.290 1.00 0.00 O +ATOM 12894 HW1 SOL 3774 40.770 13.250 23.520 1.00 0.00 H +ATOM 12895 HW2 SOL 3774 41.120 12.370 22.340 1.00 0.00 H +ATOM 12896 OW SOL 3775 43.040 28.200 25.550 1.00 0.00 O +ATOM 12897 HW1 SOL 3775 42.690 28.890 26.130 1.00 0.00 H +ATOM 12898 HW2 SOL 3775 42.870 28.530 24.670 1.00 0.00 H +ATOM 12899 OW SOL 3776 3.950 33.940 23.180 1.00 0.00 O +ATOM 12900 HW1 SOL 3776 4.380 33.160 22.820 1.00 0.00 H +ATOM 12901 HW2 SOL 3776 4.680 34.520 23.440 1.00 0.00 H +ATOM 12902 OW SOL 3777 37.340 50.220 40.170 1.00 0.00 O +ATOM 12903 HW1 SOL 3777 38.160 50.730 40.190 1.00 0.00 H +ATOM 12904 HW2 SOL 3777 37.160 50.020 41.090 1.00 0.00 H +ATOM 12905 OW SOL 3778 35.350 9.780 7.590 1.00 0.00 O +ATOM 12906 HW1 SOL 3778 35.450 8.830 7.560 1.00 0.00 H +ATOM 12907 HW2 SOL 3778 34.570 9.960 7.060 1.00 0.00 H +ATOM 12908 OW SOL 3779 15.380 17.340 42.550 1.00 0.00 O +ATOM 12909 HW1 SOL 3779 14.760 17.300 43.270 1.00 0.00 H +ATOM 12910 HW2 SOL 3779 15.060 16.710 41.910 1.00 0.00 H +ATOM 12911 OW SOL 3780 46.880 28.950 0.430 1.00 0.00 O +ATOM 12912 HW1 SOL 3780 46.260 28.840 -0.290 1.00 0.00 H +ATOM 12913 HW2 SOL 3780 46.360 29.310 1.150 1.00 0.00 H +ATOM 12914 OW SOL 3781 19.760 54.350 7.540 1.00 0.00 O +ATOM 12915 HW1 SOL 3781 19.050 54.960 7.380 1.00 0.00 H +ATOM 12916 HW2 SOL 3781 19.940 53.960 6.680 1.00 0.00 H +ATOM 12917 OW SOL 3782 60.090 24.840 17.300 1.00 0.00 O +ATOM 12918 HW1 SOL 3782 59.340 25.040 17.860 1.00 0.00 H +ATOM 12919 HW2 SOL 3782 60.560 25.670 17.210 1.00 0.00 H +ATOM 12920 OW SOL 3783 18.130 34.060 35.430 1.00 0.00 O +ATOM 12921 HW1 SOL 3783 18.280 34.280 36.350 1.00 0.00 H +ATOM 12922 HW2 SOL 3783 18.390 33.140 35.360 1.00 0.00 H +ATOM 12923 OW SOL 3784 56.290 26.440 38.000 1.00 0.00 O +ATOM 12924 HW1 SOL 3784 56.050 26.170 38.880 1.00 0.00 H +ATOM 12925 HW2 SOL 3784 57.240 26.530 38.020 1.00 0.00 H +ATOM 12926 OW SOL 3785 61.510 45.950 33.560 1.00 0.00 O +ATOM 12927 HW1 SOL 3785 60.810 46.460 33.970 1.00 0.00 H +ATOM 12928 HW2 SOL 3785 61.230 45.860 32.640 1.00 0.00 H +ATOM 12929 OW SOL 3786 30.560 33.830 19.880 1.00 0.00 O +ATOM 12930 HW1 SOL 3786 29.750 34.210 19.530 1.00 0.00 H +ATOM 12931 HW2 SOL 3786 31.130 34.590 20.020 1.00 0.00 H +ATOM 12932 OW SOL 3787 31.180 52.860 6.230 1.00 0.00 O +ATOM 12933 HW1 SOL 3787 30.970 52.860 7.170 1.00 0.00 H +ATOM 12934 HW2 SOL 3787 31.250 51.940 6.000 1.00 0.00 H +ATOM 12935 OW SOL 3788 18.880 28.540 20.980 1.00 0.00 O +ATOM 12936 HW1 SOL 3788 18.120 29.120 20.870 1.00 0.00 H +ATOM 12937 HW2 SOL 3788 19.280 28.510 20.110 1.00 0.00 H +ATOM 12938 OW SOL 3789 25.960 54.700 7.990 1.00 0.00 O +ATOM 12939 HW1 SOL 3789 25.470 55.520 8.010 1.00 0.00 H +ATOM 12940 HW2 SOL 3789 25.430 54.130 7.430 1.00 0.00 H +ATOM 12941 OW SOL 3790 31.200 53.390 52.050 1.00 0.00 O +ATOM 12942 HW1 SOL 3790 30.840 52.510 51.960 1.00 0.00 H +ATOM 12943 HW2 SOL 3790 32.000 53.370 51.520 1.00 0.00 H +ATOM 12944 OW SOL 3791 5.060 11.930 8.220 1.00 0.00 O +ATOM 12945 HW1 SOL 3791 5.040 10.980 8.180 1.00 0.00 H +ATOM 12946 HW2 SOL 3791 5.950 12.150 8.490 1.00 0.00 H +ATOM 12947 OW SOL 3792 61.000 21.060 39.430 1.00 0.00 O +ATOM 12948 HW1 SOL 3792 60.690 20.330 39.960 1.00 0.00 H +ATOM 12949 HW2 SOL 3792 61.450 21.630 40.050 1.00 0.00 H +ATOM 12950 OW SOL 3793 2.470 57.270 21.210 1.00 0.00 O +ATOM 12951 HW1 SOL 3793 2.510 57.070 20.270 1.00 0.00 H +ATOM 12952 HW2 SOL 3793 3.140 56.710 21.600 1.00 0.00 H +ATOM 12953 OW SOL 3794 32.800 49.830 44.850 1.00 0.00 O +ATOM 12954 HW1 SOL 3794 32.760 50.650 44.360 1.00 0.00 H +ATOM 12955 HW2 SOL 3794 33.710 49.540 44.750 1.00 0.00 H +ATOM 12956 OW SOL 3795 53.830 36.240 23.560 1.00 0.00 O +ATOM 12957 HW1 SOL 3795 53.320 35.440 23.670 1.00 0.00 H +ATOM 12958 HW2 SOL 3795 53.990 36.540 24.450 1.00 0.00 H +ATOM 12959 OW SOL 3796 57.440 57.430 25.850 1.00 0.00 O +ATOM 12960 HW1 SOL 3796 57.500 57.530 26.800 1.00 0.00 H +ATOM 12961 HW2 SOL 3796 56.500 57.370 25.680 1.00 0.00 H +ATOM 12962 OW SOL 3797 35.510 5.620 16.570 1.00 0.00 O +ATOM 12963 HW1 SOL 3797 36.310 5.110 16.420 1.00 0.00 H +ATOM 12964 HW2 SOL 3797 35.590 5.930 17.470 1.00 0.00 H +ATOM 12965 OW SOL 3798 63.350 13.380 10.150 1.00 0.00 O +ATOM 12966 HW1 SOL 3798 63.130 12.770 10.860 1.00 0.00 H +ATOM 12967 HW2 SOL 3798 64.210 13.100 9.850 1.00 0.00 H +ATOM 12968 OW SOL 3799 32.100 10.660 27.650 1.00 0.00 O +ATOM 12969 HW1 SOL 3799 31.550 10.960 26.930 1.00 0.00 H +ATOM 12970 HW2 SOL 3799 31.740 9.800 27.880 1.00 0.00 H +ATOM 12971 OW SOL 3800 30.110 22.650 17.360 1.00 0.00 O +ATOM 12972 HW1 SOL 3800 30.030 22.230 18.220 1.00 0.00 H +ATOM 12973 HW2 SOL 3800 31.010 22.480 17.090 1.00 0.00 H +ATOM 12974 OW SOL 3801 12.080 21.430 22.890 1.00 0.00 O +ATOM 12975 HW1 SOL 3801 11.890 22.320 23.180 1.00 0.00 H +ATOM 12976 HW2 SOL 3801 11.590 20.870 23.510 1.00 0.00 H +ATOM 12977 OW SOL 3802 3.360 50.350 46.660 1.00 0.00 O +ATOM 12978 HW1 SOL 3802 4.050 50.610 46.050 1.00 0.00 H +ATOM 12979 HW2 SOL 3802 3.290 51.070 47.290 1.00 0.00 H +ATOM 12980 OW SOL 3803 6.010 2.090 11.640 1.00 0.00 O +ATOM 12981 HW1 SOL 3803 5.100 2.320 11.860 1.00 0.00 H +ATOM 12982 HW2 SOL 3803 6.280 1.510 12.350 1.00 0.00 H +ATOM 12983 OW SOL 3804 25.060 11.370 53.040 1.00 0.00 O +ATOM 12984 HW1 SOL 3804 24.870 11.640 53.940 1.00 0.00 H +ATOM 12985 HW2 SOL 3804 24.330 11.720 52.530 1.00 0.00 H +ATOM 12986 OW SOL 3805 47.380 57.630 15.930 1.00 0.00 O +ATOM 12987 HW1 SOL 3805 47.880 57.010 16.460 1.00 0.00 H +ATOM 12988 HW2 SOL 3805 46.910 57.090 15.300 1.00 0.00 H +ATOM 12989 OW SOL 3806 7.380 32.060 12.930 1.00 0.00 O +ATOM 12990 HW1 SOL 3806 7.880 32.450 12.220 1.00 0.00 H +ATOM 12991 HW2 SOL 3806 6.550 31.810 12.540 1.00 0.00 H +ATOM 12992 OW SOL 3807 41.050 33.990 10.800 1.00 0.00 O +ATOM 12993 HW1 SOL 3807 41.450 33.620 10.010 1.00 0.00 H +ATOM 12994 HW2 SOL 3807 40.110 33.920 10.650 1.00 0.00 H +ATOM 12995 OW SOL 3808 8.980 2.690 52.170 1.00 0.00 O +ATOM 12996 HW1 SOL 3808 9.380 1.820 52.200 1.00 0.00 H +ATOM 12997 HW2 SOL 3808 8.960 2.920 51.240 1.00 0.00 H +ATOM 12998 OW SOL 3809 26.970 52.410 48.930 1.00 0.00 O +ATOM 12999 HW1 SOL 3809 27.700 53.020 49.010 1.00 0.00 H +ATOM 13000 HW2 SOL 3809 26.230 52.950 48.650 1.00 0.00 H +ATOM 13001 OW SOL 3810 45.760 56.000 14.240 1.00 0.00 O +ATOM 13002 HW1 SOL 3810 44.990 55.530 14.550 1.00 0.00 H +ATOM 13003 HW2 SOL 3810 45.400 56.690 13.670 1.00 0.00 H +ATOM 13004 OW SOL 3811 20.440 28.010 28.920 1.00 0.00 O +ATOM 13005 HW1 SOL 3811 20.490 27.700 28.020 1.00 0.00 H +ATOM 13006 HW2 SOL 3811 20.440 27.200 29.450 1.00 0.00 H +ATOM 13007 OW SOL 3812 24.780 30.850 49.250 1.00 0.00 O +ATOM 13008 HW1 SOL 3812 24.070 30.210 49.190 1.00 0.00 H +ATOM 13009 HW2 SOL 3812 24.510 31.560 48.670 1.00 0.00 H +ATOM 13010 OW SOL 3813 54.440 60.450 38.760 1.00 0.00 O +ATOM 13011 HW1 SOL 3813 55.150 60.220 39.360 1.00 0.00 H +ATOM 13012 HW2 SOL 3813 54.800 60.310 37.890 1.00 0.00 H +ATOM 13013 OW SOL 3814 18.100 4.720 30.810 1.00 0.00 O +ATOM 13014 HW1 SOL 3814 17.950 4.470 29.900 1.00 0.00 H +ATOM 13015 HW2 SOL 3814 17.400 5.340 31.010 1.00 0.00 H +ATOM 13016 OW SOL 3815 25.150 56.080 45.120 1.00 0.00 O +ATOM 13017 HW1 SOL 3815 24.450 55.730 44.580 1.00 0.00 H +ATOM 13018 HW2 SOL 3815 25.930 55.580 44.860 1.00 0.00 H +ATOM 13019 OW SOL 3816 50.730 22.600 19.060 1.00 0.00 O +ATOM 13020 HW1 SOL 3816 51.440 22.100 18.670 1.00 0.00 H +ATOM 13021 HW2 SOL 3816 51.110 22.980 19.850 1.00 0.00 H +ATOM 13022 OW SOL 3817 39.600 1.430 0.940 1.00 0.00 O +ATOM 13023 HW1 SOL 3817 38.740 1.720 0.640 1.00 0.00 H +ATOM 13024 HW2 SOL 3817 40.030 2.230 1.240 1.00 0.00 H +ATOM 13025 OW SOL 3818 50.430 32.420 3.770 1.00 0.00 O +ATOM 13026 HW1 SOL 3818 51.210 32.870 3.460 1.00 0.00 H +ATOM 13027 HW2 SOL 3818 50.220 31.790 3.080 1.00 0.00 H +ATOM 13028 OW SOL 3819 47.550 31.790 23.170 1.00 0.00 O +ATOM 13029 HW1 SOL 3819 47.130 32.640 23.290 1.00 0.00 H +ATOM 13030 HW2 SOL 3819 48.490 31.980 23.160 1.00 0.00 H +ATOM 13031 OW SOL 3820 43.410 23.190 45.130 1.00 0.00 O +ATOM 13032 HW1 SOL 3820 44.190 23.400 44.620 1.00 0.00 H +ATOM 13033 HW2 SOL 3820 42.940 22.540 44.610 1.00 0.00 H +ATOM 13034 OW SOL 3821 3.780 43.430 19.350 1.00 0.00 O +ATOM 13035 HW1 SOL 3821 4.700 43.160 19.330 1.00 0.00 H +ATOM 13036 HW2 SOL 3821 3.380 42.970 18.620 1.00 0.00 H +ATOM 13037 OW SOL 3822 21.750 8.550 36.290 1.00 0.00 O +ATOM 13038 HW1 SOL 3822 21.030 8.220 35.750 1.00 0.00 H +ATOM 13039 HW2 SOL 3822 21.480 9.440 36.530 1.00 0.00 H +ATOM 13040 OW SOL 3823 14.140 14.770 49.520 1.00 0.00 O +ATOM 13041 HW1 SOL 3823 14.500 14.890 48.640 1.00 0.00 H +ATOM 13042 HW2 SOL 3823 14.020 13.830 49.610 1.00 0.00 H +ATOM 13043 OW SOL 3824 15.470 36.980 21.550 1.00 0.00 O +ATOM 13044 HW1 SOL 3824 15.780 37.880 21.610 1.00 0.00 H +ATOM 13045 HW2 SOL 3824 15.740 36.690 20.680 1.00 0.00 H +ATOM 13046 OW SOL 3825 49.380 30.660 44.050 1.00 0.00 O +ATOM 13047 HW1 SOL 3825 49.480 30.300 44.930 1.00 0.00 H +ATOM 13048 HW2 SOL 3825 49.020 29.940 43.530 1.00 0.00 H +ATOM 13049 OW SOL 3826 62.740 49.620 27.030 1.00 0.00 O +ATOM 13050 HW1 SOL 3826 62.020 50.260 27.080 1.00 0.00 H +ATOM 13051 HW2 SOL 3826 63.160 49.670 27.890 1.00 0.00 H +ATOM 13052 OW SOL 3827 55.210 61.270 44.570 1.00 0.00 O +ATOM 13053 HW1 SOL 3827 54.970 61.550 45.460 1.00 0.00 H +ATOM 13054 HW2 SOL 3827 56.170 61.320 44.560 1.00 0.00 H +ATOM 13055 OW SOL 3828 54.260 39.470 17.890 1.00 0.00 O +ATOM 13056 HW1 SOL 3828 53.930 39.320 17.000 1.00 0.00 H +ATOM 13057 HW2 SOL 3828 53.510 39.820 18.370 1.00 0.00 H +ATOM 13058 OW SOL 3829 4.750 5.930 29.430 1.00 0.00 O +ATOM 13059 HW1 SOL 3829 4.540 5.490 30.260 1.00 0.00 H +ATOM 13060 HW2 SOL 3829 4.890 5.210 28.810 1.00 0.00 H +ATOM 13061 OW SOL 3830 29.790 21.000 1.720 1.00 0.00 O +ATOM 13062 HW1 SOL 3830 28.990 20.590 2.050 1.00 0.00 H +ATOM 13063 HW2 SOL 3830 30.130 21.490 2.460 1.00 0.00 H +ATOM 13064 OW SOL 3831 29.650 30.400 15.590 1.00 0.00 O +ATOM 13065 HW1 SOL 3831 30.240 29.930 16.170 1.00 0.00 H +ATOM 13066 HW2 SOL 3831 29.250 29.720 15.050 1.00 0.00 H +ATOM 13067 OW SOL 3832 50.170 23.730 42.380 1.00 0.00 O +ATOM 13068 HW1 SOL 3832 50.290 24.120 41.510 1.00 0.00 H +ATOM 13069 HW2 SOL 3832 50.940 23.170 42.500 1.00 0.00 H +ATOM 13070 OW SOL 3833 58.940 23.310 24.050 1.00 0.00 O +ATOM 13071 HW1 SOL 3833 58.330 24.000 23.800 1.00 0.00 H +ATOM 13072 HW2 SOL 3833 59.780 23.750 24.160 1.00 0.00 H +ATOM 13073 OW SOL 3834 41.600 33.750 41.010 1.00 0.00 O +ATOM 13074 HW1 SOL 3834 41.730 34.390 41.720 1.00 0.00 H +ATOM 13075 HW2 SOL 3834 41.850 32.910 41.400 1.00 0.00 H +ATOM 13076 OW SOL 3835 21.940 26.620 42.840 1.00 0.00 O +ATOM 13077 HW1 SOL 3835 21.940 25.880 42.220 1.00 0.00 H +ATOM 13078 HW2 SOL 3835 21.110 27.070 42.670 1.00 0.00 H +ATOM 13079 OW SOL 3836 25.100 32.750 6.710 1.00 0.00 O +ATOM 13080 HW1 SOL 3836 24.940 33.180 5.870 1.00 0.00 H +ATOM 13081 HW2 SOL 3836 25.290 33.480 7.310 1.00 0.00 H +ATOM 13082 OW SOL 3837 40.220 9.660 41.050 1.00 0.00 O +ATOM 13083 HW1 SOL 3837 39.390 10.100 41.260 1.00 0.00 H +ATOM 13084 HW2 SOL 3837 40.310 9.000 41.730 1.00 0.00 H +ATOM 13085 OW SOL 3838 10.320 41.900 22.570 1.00 0.00 O +ATOM 13086 HW1 SOL 3838 11.220 42.190 22.730 1.00 0.00 H +ATOM 13087 HW2 SOL 3838 9.790 42.690 22.640 1.00 0.00 H +ATOM 13088 OW SOL 3839 20.030 55.080 31.040 1.00 0.00 O +ATOM 13089 HW1 SOL 3839 20.440 55.820 30.590 1.00 0.00 H +ATOM 13090 HW2 SOL 3839 20.350 54.310 30.570 1.00 0.00 H +ATOM 13091 OW SOL 3840 37.840 6.390 28.040 1.00 0.00 O +ATOM 13092 HW1 SOL 3840 37.130 5.860 27.680 1.00 0.00 H +ATOM 13093 HW2 SOL 3840 37.810 6.220 28.990 1.00 0.00 H +ATOM 13094 OW SOL 3841 34.090 29.530 14.590 1.00 0.00 O +ATOM 13095 HW1 SOL 3841 34.840 29.360 15.150 1.00 0.00 H +ATOM 13096 HW2 SOL 3841 34.420 30.140 13.930 1.00 0.00 H +ATOM 13097 OW SOL 3842 6.090 59.660 19.910 1.00 0.00 O +ATOM 13098 HW1 SOL 3842 6.690 60.260 20.350 1.00 0.00 H +ATOM 13099 HW2 SOL 3842 5.610 60.210 19.290 1.00 0.00 H +ATOM 13100 OW SOL 3843 60.870 8.420 43.720 1.00 0.00 O +ATOM 13101 HW1 SOL 3843 61.290 8.970 43.070 1.00 0.00 H +ATOM 13102 HW2 SOL 3843 61.250 8.700 44.560 1.00 0.00 H +ATOM 13103 OW SOL 3844 61.280 13.970 52.140 1.00 0.00 O +ATOM 13104 HW1 SOL 3844 61.820 14.130 52.910 1.00 0.00 H +ATOM 13105 HW2 SOL 3844 60.630 14.670 52.150 1.00 0.00 H +ATOM 13106 OW SOL 3845 32.890 28.000 8.260 1.00 0.00 O +ATOM 13107 HW1 SOL 3845 32.480 27.720 7.440 1.00 0.00 H +ATOM 13108 HW2 SOL 3845 33.680 28.470 7.990 1.00 0.00 H +ATOM 13109 OW SOL 3846 40.570 58.450 14.550 1.00 0.00 O +ATOM 13110 HW1 SOL 3846 40.610 59.310 14.140 1.00 0.00 H +ATOM 13111 HW2 SOL 3846 39.910 57.970 14.050 1.00 0.00 H +ATOM 13112 OW SOL 3847 65.425 48.730 49.460 1.00 0.00 O +ATOM 13113 HW1 SOL 3847 66.105 48.340 50.010 1.00 0.00 H +ATOM 13114 HW2 SOL 3847 65.685 48.510 48.570 1.00 0.00 H +ATOM 13115 OW SOL 3848 10.530 47.570 34.980 1.00 0.00 O +ATOM 13116 HW1 SOL 3848 10.480 48.070 34.170 1.00 0.00 H +ATOM 13117 HW2 SOL 3848 11.160 48.060 35.520 1.00 0.00 H +ATOM 13118 OW SOL 3849 34.000 61.690 37.500 1.00 0.00 O +ATOM 13119 HW1 SOL 3849 34.130 61.270 38.350 1.00 0.00 H +ATOM 13120 HW2 SOL 3849 33.450 62.450 37.690 1.00 0.00 H +ATOM 13121 OW SOL 3850 5.090 61.120 26.720 1.00 0.00 O +ATOM 13122 HW1 SOL 3850 5.310 62.000 27.010 1.00 0.00 H +ATOM 13123 HW2 SOL 3850 4.340 60.860 27.250 1.00 0.00 H +ATOM 13124 OW SOL 3851 1.230 29.730 19.340 1.00 0.00 O +ATOM 13125 HW1 SOL 3851 1.320 29.430 20.240 1.00 0.00 H +ATOM 13126 HW2 SOL 3851 1.140 30.680 19.410 1.00 0.00 H +ATOM 13127 OW SOL 3852 54.450 44.810 41.730 1.00 0.00 O +ATOM 13128 HW1 SOL 3852 53.640 45.290 41.930 1.00 0.00 H +ATOM 13129 HW2 SOL 3852 54.490 44.120 42.390 1.00 0.00 H +ATOM 13130 OW SOL 3853 41.800 15.650 19.810 1.00 0.00 O +ATOM 13131 HW1 SOL 3853 41.930 15.650 20.750 1.00 0.00 H +ATOM 13132 HW2 SOL 3853 42.280 16.420 19.500 1.00 0.00 H +ATOM 13133 OW SOL 3854 19.420 16.110 3.640 1.00 0.00 O +ATOM 13134 HW1 SOL 3854 19.550 16.390 2.730 1.00 0.00 H +ATOM 13135 HW2 SOL 3854 19.770 16.830 4.160 1.00 0.00 H +ATOM 13136 OW SOL 3855 33.210 16.470 47.140 1.00 0.00 O +ATOM 13137 HW1 SOL 3855 34.110 16.520 47.470 1.00 0.00 H +ATOM 13138 HW2 SOL 3855 33.090 17.280 46.650 1.00 0.00 H +ATOM 13139 OW SOL 3856 9.750 12.530 2.330 1.00 0.00 O +ATOM 13140 HW1 SOL 3856 9.800 12.510 1.370 1.00 0.00 H +ATOM 13141 HW2 SOL 3856 9.730 13.470 2.540 1.00 0.00 H +ATOM 13142 OW SOL 3857 34.160 54.070 52.870 1.00 0.00 O +ATOM 13143 HW1 SOL 3857 34.020 53.810 51.960 1.00 0.00 H +ATOM 13144 HW2 SOL 3857 33.510 54.770 53.020 1.00 0.00 H +ATOM 13145 OW SOL 3858 62.820 12.990 29.320 1.00 0.00 O +ATOM 13146 HW1 SOL 3858 62.820 12.180 28.820 1.00 0.00 H +ATOM 13147 HW2 SOL 3858 62.250 13.580 28.820 1.00 0.00 H +ATOM 13148 OW SOL 3859 21.250 34.870 48.310 1.00 0.00 O +ATOM 13149 HW1 SOL 3859 20.540 34.920 47.670 1.00 0.00 H +ATOM 13150 HW2 SOL 3859 21.320 33.940 48.530 1.00 0.00 H +ATOM 13151 OW SOL 3860 23.450 22.660 39.940 1.00 0.00 O +ATOM 13152 HW1 SOL 3860 22.590 22.250 39.980 1.00 0.00 H +ATOM 13153 HW2 SOL 3860 23.960 22.120 39.340 1.00 0.00 H +ATOM 13154 OW SOL 3861 65.400 55.340 21.000 1.00 0.00 O +ATOM 13155 HW1 SOL 3861 64.980 54.630 21.490 1.00 0.00 H +ATOM 13156 HW2 SOL 3861 65.820 55.880 21.670 1.00 0.00 H +ATOM 13157 OW SOL 3862 40.540 55.140 49.920 1.00 0.00 O +ATOM 13158 HW1 SOL 3862 40.630 55.960 49.430 1.00 0.00 H +ATOM 13159 HW2 SOL 3862 41.430 54.940 50.210 1.00 0.00 H +ATOM 13160 OW SOL 3863 4.560 58.280 6.420 1.00 0.00 O +ATOM 13161 HW1 SOL 3863 4.340 59.210 6.390 1.00 0.00 H +ATOM 13162 HW2 SOL 3863 4.070 57.900 5.700 1.00 0.00 H +ATOM 13163 OW SOL 3864 58.870 22.850 3.240 1.00 0.00 O +ATOM 13164 HW1 SOL 3864 58.600 23.300 2.440 1.00 0.00 H +ATOM 13165 HW2 SOL 3864 59.790 22.620 3.090 1.00 0.00 H +ATOM 13166 OW SOL 3865 55.980 37.640 31.120 1.00 0.00 O +ATOM 13167 HW1 SOL 3865 55.500 37.380 31.910 1.00 0.00 H +ATOM 13168 HW2 SOL 3865 56.510 36.880 30.900 1.00 0.00 H +ATOM 13169 OW SOL 3866 65.660 30.000 51.880 1.00 0.00 O +ATOM 13170 HW1 SOL 3866 65.870 29.080 52.010 1.00 0.00 H +ATOM 13171 HW2 SOL 3866 64.700 30.040 51.960 1.00 0.00 H +ATOM 13172 OW SOL 3867 36.100 17.200 40.570 1.00 0.00 O +ATOM 13173 HW1 SOL 3867 37.040 17.030 40.650 1.00 0.00 H +ATOM 13174 HW2 SOL 3867 36.010 18.150 40.650 1.00 0.00 H +ATOM 13175 OW SOL 3868 19.530 55.040 16.250 1.00 0.00 O +ATOM 13176 HW1 SOL 3868 20.370 55.510 16.250 1.00 0.00 H +ATOM 13177 HW2 SOL 3868 18.870 55.730 16.250 1.00 0.00 H +ATOM 13178 OW SOL 3869 32.450 5.630 53.360 1.00 0.00 O +ATOM 13179 HW1 SOL 3869 32.730 6.550 53.330 1.00 0.00 H +ATOM 13180 HW2 SOL 3869 32.630 5.300 52.480 1.00 0.00 H +ATOM 13181 OW SOL 3870 29.710 4.810 15.580 1.00 0.00 O +ATOM 13182 HW1 SOL 3870 29.090 4.620 14.880 1.00 0.00 H +ATOM 13183 HW2 SOL 3870 29.210 4.670 16.380 1.00 0.00 H +ATOM 13184 OW SOL 3871 13.590 4.510 50.130 1.00 0.00 O +ATOM 13185 HW1 SOL 3871 12.700 4.430 50.480 1.00 0.00 H +ATOM 13186 HW2 SOL 3871 13.920 3.620 50.080 1.00 0.00 H +ATOM 13187 OW SOL 3872 17.470 13.000 27.280 1.00 0.00 O +ATOM 13188 HW1 SOL 3872 17.890 12.820 28.120 1.00 0.00 H +ATOM 13189 HW2 SOL 3872 16.600 13.330 27.500 1.00 0.00 H +ATOM 13190 OW SOL 3873 19.140 33.710 21.310 1.00 0.00 O +ATOM 13191 HW1 SOL 3873 18.320 33.230 21.440 1.00 0.00 H +ATOM 13192 HW2 SOL 3873 19.320 33.640 20.380 1.00 0.00 H +ATOM 13193 OW SOL 3874 25.170 47.680 41.140 1.00 0.00 O +ATOM 13194 HW1 SOL 3874 24.530 48.160 41.660 1.00 0.00 H +ATOM 13195 HW2 SOL 3874 26.010 48.070 41.370 1.00 0.00 H +ATOM 13196 OW SOL 3875 50.480 28.840 22.390 1.00 0.00 O +ATOM 13197 HW1 SOL 3875 49.550 28.810 22.190 1.00 0.00 H +ATOM 13198 HW2 SOL 3875 50.820 27.980 22.130 1.00 0.00 H +ATOM 13199 OW SOL 3876 41.480 0.860 35.390 1.00 0.00 O +ATOM 13200 HW1 SOL 3876 42.240 0.330 35.650 1.00 0.00 H +ATOM 13201 HW2 SOL 3876 41.020 0.310 34.760 1.00 0.00 H +ATOM 13202 OW SOL 3877 60.270 59.070 17.620 1.00 0.00 O +ATOM 13203 HW1 SOL 3877 59.960 58.510 18.330 1.00 0.00 H +ATOM 13204 HW2 SOL 3877 60.810 58.490 17.080 1.00 0.00 H +ATOM 13205 OW SOL 3878 4.410 33.150 29.290 1.00 0.00 O +ATOM 13206 HW1 SOL 3878 4.560 33.580 28.440 1.00 0.00 H +ATOM 13207 HW2 SOL 3878 3.570 33.510 29.590 1.00 0.00 H +ATOM 13208 OW SOL 3879 15.300 26.640 39.120 1.00 0.00 O +ATOM 13209 HW1 SOL 3879 14.580 26.320 38.570 1.00 0.00 H +ATOM 13210 HW2 SOL 3879 14.910 26.740 39.980 1.00 0.00 H +ATOM 13211 OW SOL 3880 64.860 20.300 41.310 1.00 0.00 O +ATOM 13212 HW1 SOL 3880 64.150 19.660 41.370 1.00 0.00 H +ATOM 13213 HW2 SOL 3880 65.250 20.130 40.450 1.00 0.00 H +ATOM 13214 OW SOL 3881 6.250 44.230 17.140 1.00 0.00 O +ATOM 13215 HW1 SOL 3881 6.210 44.290 16.180 1.00 0.00 H +ATOM 13216 HW2 SOL 3881 6.680 45.050 17.400 1.00 0.00 H +ATOM 13217 OW SOL 3882 7.460 23.060 4.340 1.00 0.00 O +ATOM 13218 HW1 SOL 3882 7.900 23.100 5.190 1.00 0.00 H +ATOM 13219 HW2 SOL 3882 6.670 22.540 4.510 1.00 0.00 H +ATOM 13220 OW SOL 3883 22.010 37.380 40.590 1.00 0.00 O +ATOM 13221 HW1 SOL 3883 21.150 37.190 40.210 1.00 0.00 H +ATOM 13222 HW2 SOL 3883 22.060 36.800 41.360 1.00 0.00 H +ATOM 13223 OW SOL 3884 32.210 11.640 24.410 1.00 0.00 O +ATOM 13224 HW1 SOL 3884 32.380 12.410 23.870 1.00 0.00 H +ATOM 13225 HW2 SOL 3884 31.400 11.270 24.060 1.00 0.00 H +ATOM 13226 OW SOL 3885 32.790 7.960 43.900 1.00 0.00 O +ATOM 13227 HW1 SOL 3885 32.350 7.130 44.070 1.00 0.00 H +ATOM 13228 HW2 SOL 3885 32.450 8.550 44.570 1.00 0.00 H +ATOM 13229 OW SOL 3886 43.590 56.110 5.790 1.00 0.00 O +ATOM 13230 HW1 SOL 3886 44.510 56.320 5.980 1.00 0.00 H +ATOM 13231 HW2 SOL 3886 43.470 55.230 6.140 1.00 0.00 H +ATOM 13232 OW SOL 3887 63.980 2.720 9.830 1.00 0.00 O +ATOM 13233 HW1 SOL 3887 63.850 3.420 9.190 1.00 0.00 H +ATOM 13234 HW2 SOL 3887 64.590 3.080 10.470 1.00 0.00 H +ATOM 13235 OW SOL 3888 18.990 55.710 38.820 1.00 0.00 O +ATOM 13236 HW1 SOL 3888 18.070 55.990 38.770 1.00 0.00 H +ATOM 13237 HW2 SOL 3888 19.140 55.250 37.990 1.00 0.00 H +ATOM 13238 OW SOL 3889 62.650 1.470 42.570 1.00 0.00 O +ATOM 13239 HW1 SOL 3889 62.860 0.580 42.820 1.00 0.00 H +ATOM 13240 HW2 SOL 3889 61.860 1.390 42.030 1.00 0.00 H +ATOM 13241 OW SOL 3890 45.780 57.650 4.000 1.00 0.00 O +ATOM 13242 HW1 SOL 3890 44.890 58.000 4.060 1.00 0.00 H +ATOM 13243 HW2 SOL 3890 46.170 57.840 4.860 1.00 0.00 H +ATOM 13244 OW SOL 3891 3.020 25.540 40.630 1.00 0.00 O +ATOM 13245 HW1 SOL 3891 3.690 24.950 40.280 1.00 0.00 H +ATOM 13246 HW2 SOL 3891 2.190 25.070 40.500 1.00 0.00 H +ATOM 13247 OW SOL 3892 39.590 61.270 35.030 1.00 0.00 O +ATOM 13248 HW1 SOL 3892 39.540 60.370 34.690 1.00 0.00 H +ATOM 13249 HW2 SOL 3892 38.930 61.310 35.720 1.00 0.00 H +ATOM 13250 OW SOL 3893 36.130 42.340 0.390 1.00 0.00 O +ATOM 13251 HW1 SOL 3893 36.940 41.890 0.150 1.00 0.00 H +ATOM 13252 HW2 SOL 3893 35.850 41.910 1.200 1.00 0.00 H +ATOM 13253 OW SOL 3894 58.540 57.440 36.930 1.00 0.00 O +ATOM 13254 HW1 SOL 3894 58.310 57.200 36.030 1.00 0.00 H +ATOM 13255 HW2 SOL 3894 59.490 57.490 36.930 1.00 0.00 H +ATOM 13256 OW SOL 3895 38.400 38.940 4.670 1.00 0.00 O +ATOM 13257 HW1 SOL 3895 38.650 39.150 3.770 1.00 0.00 H +ATOM 13258 HW2 SOL 3895 38.890 39.560 5.210 1.00 0.00 H +ATOM 13259 OW SOL 3896 35.760 27.540 42.290 1.00 0.00 O +ATOM 13260 HW1 SOL 3896 35.140 27.200 42.940 1.00 0.00 H +ATOM 13261 HW2 SOL 3896 36.580 27.640 42.780 1.00 0.00 H +ATOM 13262 OW SOL 3897 16.210 49.640 8.520 1.00 0.00 O +ATOM 13263 HW1 SOL 3897 17.100 49.390 8.780 1.00 0.00 H +ATOM 13264 HW2 SOL 3897 15.950 48.980 7.880 1.00 0.00 H +ATOM 13265 OW SOL 3898 13.050 11.510 38.290 1.00 0.00 O +ATOM 13266 HW1 SOL 3898 13.120 10.710 37.760 1.00 0.00 H +ATOM 13267 HW2 SOL 3898 13.960 11.770 38.460 1.00 0.00 H +ATOM 13268 OW SOL 3899 34.670 40.900 8.810 1.00 0.00 O +ATOM 13269 HW1 SOL 3899 34.870 40.420 9.610 1.00 0.00 H +ATOM 13270 HW2 SOL 3899 33.970 41.510 9.060 1.00 0.00 H +ATOM 13271 OW SOL 3900 47.520 1.090 51.740 1.00 0.00 O +ATOM 13272 HW1 SOL 3900 48.180 1.130 52.440 1.00 0.00 H +ATOM 13273 HW2 SOL 3900 47.970 0.670 51.010 1.00 0.00 H +ATOM 13274 OW SOL 3901 0.550 53.210 45.060 1.00 0.00 O +ATOM 13275 HW1 SOL 3901 0.120 52.350 44.940 1.00 0.00 H +ATOM 13276 HW2 SOL 3901 -0.030 53.820 44.610 1.00 0.00 H +ATOM 13277 OW SOL 3902 3.430 38.470 38.980 1.00 0.00 O +ATOM 13278 HW1 SOL 3902 3.650 39.320 38.600 1.00 0.00 H +ATOM 13279 HW2 SOL 3902 4.260 38.100 39.260 1.00 0.00 H +ATOM 13280 OW SOL 3903 48.770 60.440 24.580 1.00 0.00 O +ATOM 13281 HW1 SOL 3903 48.080 60.280 25.220 1.00 0.00 H +ATOM 13282 HW2 SOL 3903 49.050 61.340 24.750 1.00 0.00 H +ATOM 13283 OW SOL 3904 34.190 1.790 32.890 1.00 0.00 O +ATOM 13284 HW1 SOL 3904 35.040 1.490 32.570 1.00 0.00 H +ATOM 13285 HW2 SOL 3904 34.190 1.560 33.820 1.00 0.00 H +ATOM 13286 OW SOL 3905 42.360 61.550 11.660 1.00 0.00 O +ATOM 13287 HW1 SOL 3905 42.660 61.460 10.760 1.00 0.00 H +ATOM 13288 HW2 SOL 3905 42.310 62.500 11.800 1.00 0.00 H +ATOM 13289 OW SOL 3906 38.110 7.780 51.400 1.00 0.00 O +ATOM 13290 HW1 SOL 3906 37.690 8.600 51.160 1.00 0.00 H +ATOM 13291 HW2 SOL 3906 37.520 7.100 51.050 1.00 0.00 H +ATOM 13292 OW SOL 3907 49.150 59.850 46.790 1.00 0.00 O +ATOM 13293 HW1 SOL 3907 49.710 59.130 47.080 1.00 0.00 H +ATOM 13294 HW2 SOL 3907 48.380 59.420 46.420 1.00 0.00 H +ATOM 13295 OW SOL 3908 19.170 43.900 8.660 1.00 0.00 O +ATOM 13296 HW1 SOL 3908 19.890 43.300 8.430 1.00 0.00 H +ATOM 13297 HW2 SOL 3908 19.420 44.730 8.260 1.00 0.00 H +ATOM 13298 OW SOL 3909 35.700 34.330 2.480 1.00 0.00 O +ATOM 13299 HW1 SOL 3909 34.810 34.480 2.150 1.00 0.00 H +ATOM 13300 HW2 SOL 3909 36.020 33.590 1.970 1.00 0.00 H +ATOM 13301 OW SOL 3910 0.340 28.450 35.530 1.00 0.00 O +ATOM 13302 HW1 SOL 3910 -0.340 27.830 35.780 1.00 0.00 H +ATOM 13303 HW2 SOL 3910 1.120 28.150 36.000 1.00 0.00 H +ATOM 13304 OW SOL 3911 0.680 5.740 9.800 1.00 0.00 O +ATOM 13305 HW1 SOL 3911 0.940 6.590 10.180 1.00 0.00 H +ATOM 13306 HW2 SOL 3911 -0.260 5.830 9.640 1.00 0.00 H +ATOM 13307 OW SOL 3912 15.600 56.890 44.360 1.00 0.00 O +ATOM 13308 HW1 SOL 3912 14.750 57.080 44.730 1.00 0.00 H +ATOM 13309 HW2 SOL 3912 16.080 56.440 45.060 1.00 0.00 H +ATOM 13310 OW SOL 3913 24.650 9.310 13.170 1.00 0.00 O +ATOM 13311 HW1 SOL 3913 24.230 9.160 12.320 1.00 0.00 H +ATOM 13312 HW2 SOL 3913 24.480 8.510 13.660 1.00 0.00 H +ATOM 13313 OW SOL 3914 17.090 0.420 32.470 1.00 0.00 O +ATOM 13314 HW1 SOL 3914 17.420 0.210 33.340 1.00 0.00 H +ATOM 13315 HW2 SOL 3914 17.300 1.350 32.360 1.00 0.00 H +ATOM 13316 OW SOL 3915 21.970 21.050 17.600 1.00 0.00 O +ATOM 13317 HW1 SOL 3915 21.650 20.180 17.820 1.00 0.00 H +ATOM 13318 HW2 SOL 3915 22.790 21.140 18.100 1.00 0.00 H +ATOM 13319 OW SOL 3916 63.250 0.300 39.980 1.00 0.00 O +ATOM 13320 HW1 SOL 3916 63.990 -0.180 39.610 1.00 0.00 H +ATOM 13321 HW2 SOL 3916 63.620 0.800 40.710 1.00 0.00 H +ATOM 13322 OW SOL 3917 27.790 23.710 47.470 1.00 0.00 O +ATOM 13323 HW1 SOL 3917 28.590 24.220 47.580 1.00 0.00 H +ATOM 13324 HW2 SOL 3917 27.390 24.080 46.680 1.00 0.00 H +ATOM 13325 OW SOL 3918 27.250 3.930 37.930 1.00 0.00 O +ATOM 13326 HW1 SOL 3918 26.730 3.850 38.730 1.00 0.00 H +ATOM 13327 HW2 SOL 3918 27.450 4.860 37.860 1.00 0.00 H +ATOM 13328 OW SOL 3919 23.470 41.480 51.180 1.00 0.00 O +ATOM 13329 HW1 SOL 3919 23.890 42.320 51.370 1.00 0.00 H +ATOM 13330 HW2 SOL 3919 22.540 41.630 51.390 1.00 0.00 H +ATOM 13331 OW SOL 3920 57.980 51.810 5.150 1.00 0.00 O +ATOM 13332 HW1 SOL 3920 58.110 50.880 5.340 1.00 0.00 H +ATOM 13333 HW2 SOL 3920 57.060 51.870 4.870 1.00 0.00 H +ATOM 13334 OW SOL 3921 6.330 59.670 46.330 1.00 0.00 O +ATOM 13335 HW1 SOL 3921 5.490 59.930 46.700 1.00 0.00 H +ATOM 13336 HW2 SOL 3921 6.870 60.460 46.360 1.00 0.00 H +ATOM 13337 OW SOL 3922 19.420 52.130 39.800 1.00 0.00 O +ATOM 13338 HW1 SOL 3922 19.630 51.650 40.600 1.00 0.00 H +ATOM 13339 HW2 SOL 3922 18.720 52.730 40.060 1.00 0.00 H +ATOM 13340 OW SOL 3923 16.080 45.520 15.100 1.00 0.00 O +ATOM 13341 HW1 SOL 3923 15.770 45.840 15.950 1.00 0.00 H +ATOM 13342 HW2 SOL 3923 15.860 44.590 15.090 1.00 0.00 H +ATOM 13343 OW SOL 3924 44.430 21.630 22.640 1.00 0.00 O +ATOM 13344 HW1 SOL 3924 43.740 21.000 22.460 1.00 0.00 H +ATOM 13345 HW2 SOL 3924 45.050 21.520 21.920 1.00 0.00 H +ATOM 13346 OW SOL 3925 51.770 0.630 3.530 1.00 0.00 O +ATOM 13347 HW1 SOL 3925 52.480 0.140 3.940 1.00 0.00 H +ATOM 13348 HW2 SOL 3925 50.970 0.230 3.870 1.00 0.00 H +ATOM 13349 OW SOL 3926 5.030 54.780 6.170 1.00 0.00 O +ATOM 13350 HW1 SOL 3926 5.290 55.110 7.030 1.00 0.00 H +ATOM 13351 HW2 SOL 3926 4.670 55.540 5.720 1.00 0.00 H +ATOM 13352 OW SOL 3927 8.210 30.280 38.250 1.00 0.00 O +ATOM 13353 HW1 SOL 3927 7.660 30.310 39.030 1.00 0.00 H +ATOM 13354 HW2 SOL 3927 7.600 30.150 37.530 1.00 0.00 H +ATOM 13355 OW SOL 3928 21.680 30.300 29.110 1.00 0.00 O +ATOM 13356 HW1 SOL 3928 21.350 29.410 29.000 1.00 0.00 H +ATOM 13357 HW2 SOL 3928 21.150 30.670 29.810 1.00 0.00 H +ATOM 13358 OW SOL 3929 56.850 55.030 13.310 1.00 0.00 O +ATOM 13359 HW1 SOL 3929 57.240 54.310 12.830 1.00 0.00 H +ATOM 13360 HW2 SOL 3929 55.990 55.150 12.920 1.00 0.00 H +ATOM 13361 OW SOL 3930 10.350 38.120 29.920 1.00 0.00 O +ATOM 13362 HW1 SOL 3930 9.620 37.620 29.570 1.00 0.00 H +ATOM 13363 HW2 SOL 3930 11.020 38.100 29.230 1.00 0.00 H +ATOM 13364 OW SOL 3931 51.440 55.600 9.660 1.00 0.00 O +ATOM 13365 HW1 SOL 3931 50.840 56.200 9.210 1.00 0.00 H +ATOM 13366 HW2 SOL 3931 51.740 56.100 10.430 1.00 0.00 H +ATOM 13367 OW SOL 3932 4.530 11.190 45.080 1.00 0.00 O +ATOM 13368 HW1 SOL 3932 4.710 10.250 45.200 1.00 0.00 H +ATOM 13369 HW2 SOL 3932 5.050 11.610 45.760 1.00 0.00 H +ATOM 13370 OW SOL 3933 19.920 44.700 2.580 1.00 0.00 O +ATOM 13371 HW1 SOL 3933 18.990 44.870 2.420 1.00 0.00 H +ATOM 13372 HW2 SOL 3933 20.360 44.960 1.780 1.00 0.00 H +ATOM 13373 OW SOL 3934 40.700 54.230 12.600 1.00 0.00 O +ATOM 13374 HW1 SOL 3934 41.400 54.770 12.240 1.00 0.00 H +ATOM 13375 HW2 SOL 3934 40.090 54.110 11.870 1.00 0.00 H +ATOM 13376 OW SOL 3935 41.820 3.310 19.770 1.00 0.00 O +ATOM 13377 HW1 SOL 3935 40.930 2.960 19.680 1.00 0.00 H +ATOM 13378 HW2 SOL 3935 42.320 2.590 20.160 1.00 0.00 H +ATOM 13379 OW SOL 3936 2.940 29.370 0.480 1.00 0.00 O +ATOM 13380 HW1 SOL 3936 2.820 29.630 -0.430 1.00 0.00 H +ATOM 13381 HW2 SOL 3936 2.370 28.610 0.600 1.00 0.00 H +ATOM 13382 OW SOL 3937 44.930 8.790 37.670 1.00 0.00 O +ATOM 13383 HW1 SOL 3937 44.080 8.650 38.080 1.00 0.00 H +ATOM 13384 HW2 SOL 3937 45.560 8.450 38.310 1.00 0.00 H +ATOM 13385 OW SOL 3938 4.830 24.800 46.230 1.00 0.00 O +ATOM 13386 HW1 SOL 3938 5.060 23.970 45.810 1.00 0.00 H +ATOM 13387 HW2 SOL 3938 4.950 25.460 45.540 1.00 0.00 H +ATOM 13388 OW SOL 3939 7.700 33.730 25.460 1.00 0.00 O +ATOM 13389 HW1 SOL 3939 7.170 34.320 24.930 1.00 0.00 H +ATOM 13390 HW2 SOL 3939 8.090 33.130 24.830 1.00 0.00 H +ATOM 13391 OW SOL 3940 21.040 1.710 22.970 1.00 0.00 O +ATOM 13392 HW1 SOL 3940 20.270 1.770 23.540 1.00 0.00 H +ATOM 13393 HW2 SOL 3940 21.740 1.400 23.540 1.00 0.00 H +ATOM 13394 OW SOL 3941 28.350 13.730 9.760 1.00 0.00 O +ATOM 13395 HW1 SOL 3941 28.590 14.290 9.030 1.00 0.00 H +ATOM 13396 HW2 SOL 3941 27.440 13.470 9.580 1.00 0.00 H +ATOM 13397 OW SOL 3942 45.030 48.980 34.510 1.00 0.00 O +ATOM 13398 HW1 SOL 3942 45.520 49.710 34.890 1.00 0.00 H +ATOM 13399 HW2 SOL 3942 44.400 48.740 35.190 1.00 0.00 H +ATOM 13400 OW SOL 3943 43.030 30.720 17.780 1.00 0.00 O +ATOM 13401 HW1 SOL 3943 43.170 29.900 18.250 1.00 0.00 H +ATOM 13402 HW2 SOL 3943 43.910 30.990 17.490 1.00 0.00 H +ATOM 13403 OW SOL 3944 58.680 56.550 14.370 1.00 0.00 O +ATOM 13404 HW1 SOL 3944 58.030 55.970 13.970 1.00 0.00 H +ATOM 13405 HW2 SOL 3944 58.160 57.210 14.830 1.00 0.00 H +ATOM 13406 OW SOL 3945 10.910 17.260 34.830 1.00 0.00 O +ATOM 13407 HW1 SOL 3945 11.130 17.380 35.750 1.00 0.00 H +ATOM 13408 HW2 SOL 3945 9.960 17.300 34.800 1.00 0.00 H +ATOM 13409 OW SOL 3946 49.090 32.590 38.950 1.00 0.00 O +ATOM 13410 HW1 SOL 3946 48.560 31.800 39.020 1.00 0.00 H +ATOM 13411 HW2 SOL 3946 48.600 33.170 38.370 1.00 0.00 H +ATOM 13412 OW SOL 3947 12.070 2.620 19.120 1.00 0.00 O +ATOM 13413 HW1 SOL 3947 11.530 2.470 19.890 1.00 0.00 H +ATOM 13414 HW2 SOL 3947 12.560 1.800 19.010 1.00 0.00 H +ATOM 13415 OW SOL 3948 14.110 38.960 6.700 1.00 0.00 O +ATOM 13416 HW1 SOL 3948 14.980 38.820 7.070 1.00 0.00 H +ATOM 13417 HW2 SOL 3948 13.580 39.250 7.440 1.00 0.00 H +ATOM 13418 OW SOL 3949 13.070 1.700 42.310 1.00 0.00 O +ATOM 13419 HW1 SOL 3949 12.410 1.000 42.270 1.00 0.00 H +ATOM 13420 HW2 SOL 3949 13.560 1.610 41.490 1.00 0.00 H +ATOM 13421 OW SOL 3950 24.540 15.660 7.810 1.00 0.00 O +ATOM 13422 HW1 SOL 3950 24.430 16.570 8.070 1.00 0.00 H +ATOM 13423 HW2 SOL 3950 23.650 15.360 7.590 1.00 0.00 H +ATOM 13424 OW SOL 3951 42.310 41.730 42.500 1.00 0.00 O +ATOM 13425 HW1 SOL 3951 42.880 42.480 42.310 1.00 0.00 H +ATOM 13426 HW2 SOL 3951 42.800 41.220 43.150 1.00 0.00 H +ATOM 13427 OW SOL 3952 10.160 54.630 42.920 1.00 0.00 O +ATOM 13428 HW1 SOL 3952 10.520 54.430 42.050 1.00 0.00 H +ATOM 13429 HW2 SOL 3952 10.110 53.780 43.360 1.00 0.00 H +ATOM 13430 OW SOL 3953 6.940 14.310 14.570 1.00 0.00 O +ATOM 13431 HW1 SOL 3953 6.770 14.920 13.850 1.00 0.00 H +ATOM 13432 HW2 SOL 3953 6.110 13.830 14.670 1.00 0.00 H +ATOM 13433 OW SOL 3954 16.790 41.380 46.880 1.00 0.00 O +ATOM 13434 HW1 SOL 3954 17.010 41.660 47.770 1.00 0.00 H +ATOM 13435 HW2 SOL 3954 16.440 40.500 46.980 1.00 0.00 H +ATOM 13436 OW SOL 3955 39.080 29.350 6.460 1.00 0.00 O +ATOM 13437 HW1 SOL 3955 39.760 28.720 6.700 1.00 0.00 H +ATOM 13438 HW2 SOL 3955 39.150 30.040 7.110 1.00 0.00 H +ATOM 13439 OW SOL 3956 36.690 13.710 12.960 1.00 0.00 O +ATOM 13440 HW1 SOL 3956 35.940 14.220 13.260 1.00 0.00 H +ATOM 13441 HW2 SOL 3956 37.290 13.710 13.700 1.00 0.00 H +ATOM 13442 OW SOL 3957 41.550 40.490 52.360 1.00 0.00 O +ATOM 13443 HW1 SOL 3957 42.200 40.890 51.770 1.00 0.00 H +ATOM 13444 HW2 SOL 3957 42.060 39.890 52.900 1.00 0.00 H +ATOM 13445 OW SOL 3958 57.160 1.280 36.690 1.00 0.00 O +ATOM 13446 HW1 SOL 3958 57.600 0.430 36.720 1.00 0.00 H +ATOM 13447 HW2 SOL 3958 57.090 1.550 37.610 1.00 0.00 H +ATOM 13448 OW SOL 3959 2.500 10.240 29.430 1.00 0.00 O +ATOM 13449 HW1 SOL 3959 2.540 9.830 28.570 1.00 0.00 H +ATOM 13450 HW2 SOL 3959 1.630 10.030 29.760 1.00 0.00 H +ATOM 13451 OW SOL 3960 11.300 19.870 4.490 1.00 0.00 O +ATOM 13452 HW1 SOL 3960 11.620 19.240 3.840 1.00 0.00 H +ATOM 13453 HW2 SOL 3960 12.050 20.010 5.070 1.00 0.00 H +ATOM 13454 OW SOL 3961 43.090 9.150 21.190 1.00 0.00 O +ATOM 13455 HW1 SOL 3961 42.450 9.650 20.690 1.00 0.00 H +ATOM 13456 HW2 SOL 3961 43.690 8.790 20.530 1.00 0.00 H +ATOM 13457 OW SOL 3962 40.840 6.880 37.540 1.00 0.00 O +ATOM 13458 HW1 SOL 3962 40.940 6.930 38.490 1.00 0.00 H +ATOM 13459 HW2 SOL 3962 39.890 6.800 37.400 1.00 0.00 H +ATOM 13460 OW SOL 3963 51.650 50.920 28.270 1.00 0.00 O +ATOM 13461 HW1 SOL 3963 51.580 50.080 28.720 1.00 0.00 H +ATOM 13462 HW2 SOL 3963 50.740 51.150 28.050 1.00 0.00 H +ATOM 13463 OW SOL 3964 43.540 35.730 3.210 1.00 0.00 O +ATOM 13464 HW1 SOL 3964 43.120 35.850 2.360 1.00 0.00 H +ATOM 13465 HW2 SOL 3964 44.390 36.170 3.120 1.00 0.00 H +ATOM 13466 OW SOL 3965 0.100 29.030 26.710 1.00 0.00 O +ATOM 13467 HW1 SOL 3965 0.530 29.550 27.400 1.00 0.00 H +ATOM 13468 HW2 SOL 3965 -0.010 28.160 27.100 1.00 0.00 H +ATOM 13469 OW SOL 3966 5.120 43.550 45.960 1.00 0.00 O +ATOM 13470 HW1 SOL 3966 4.690 44.020 45.250 1.00 0.00 H +ATOM 13471 HW2 SOL 3966 4.450 43.480 46.640 1.00 0.00 H +ATOM 13472 OW SOL 3967 19.240 52.250 26.230 1.00 0.00 O +ATOM 13473 HW1 SOL 3967 18.680 52.490 25.500 1.00 0.00 H +ATOM 13474 HW2 SOL 3967 19.840 51.590 25.870 1.00 0.00 H +ATOM 13475 OW SOL 3968 56.000 5.570 46.790 1.00 0.00 O +ATOM 13476 HW1 SOL 3968 56.210 6.050 45.990 1.00 0.00 H +ATOM 13477 HW2 SOL 3968 55.970 4.650 46.510 1.00 0.00 H +ATOM 13478 OW SOL 3969 22.650 18.490 0.980 1.00 0.00 O +ATOM 13479 HW1 SOL 3969 23.170 19.140 0.500 1.00 0.00 H +ATOM 13480 HW2 SOL 3969 22.390 18.940 1.790 1.00 0.00 H +ATOM 13481 OW SOL 3970 37.150 57.770 35.560 1.00 0.00 O +ATOM 13482 HW1 SOL 3970 37.000 58.030 36.470 1.00 0.00 H +ATOM 13483 HW2 SOL 3970 36.970 58.570 35.060 1.00 0.00 H +ATOM 13484 OW SOL 3971 29.270 4.120 11.420 1.00 0.00 O +ATOM 13485 HW1 SOL 3971 29.910 4.410 12.060 1.00 0.00 H +ATOM 13486 HW2 SOL 3971 29.560 4.500 10.590 1.00 0.00 H +ATOM 13487 OW SOL 3972 3.870 13.640 50.750 1.00 0.00 O +ATOM 13488 HW1 SOL 3972 4.170 13.890 49.870 1.00 0.00 H +ATOM 13489 HW2 SOL 3972 3.930 14.460 51.260 1.00 0.00 H +ATOM 13490 OW SOL 3973 3.220 20.530 6.130 1.00 0.00 O +ATOM 13491 HW1 SOL 3973 3.850 21.070 5.650 1.00 0.00 H +ATOM 13492 HW2 SOL 3973 2.720 21.150 6.660 1.00 0.00 H +ATOM 13493 OW SOL 3974 28.780 24.600 12.110 1.00 0.00 O +ATOM 13494 HW1 SOL 3974 28.340 25.130 12.780 1.00 0.00 H +ATOM 13495 HW2 SOL 3974 28.290 24.770 11.310 1.00 0.00 H +ATOM 13496 OW SOL 3975 41.820 50.710 2.170 1.00 0.00 O +ATOM 13497 HW1 SOL 3975 42.720 50.860 1.890 1.00 0.00 H +ATOM 13498 HW2 SOL 3975 41.800 49.800 2.450 1.00 0.00 H +ATOM 13499 OW SOL 3976 29.740 3.130 4.070 1.00 0.00 O +ATOM 13500 HW1 SOL 3976 28.810 3.140 3.820 1.00 0.00 H +ATOM 13501 HW2 SOL 3976 30.170 3.670 3.400 1.00 0.00 H +ATOM 13502 OW SOL 3977 64.660 31.050 45.380 1.00 0.00 O +ATOM 13503 HW1 SOL 3977 64.510 30.150 45.080 1.00 0.00 H +ATOM 13504 HW2 SOL 3977 65.570 31.230 45.170 1.00 0.00 H +ATOM 13505 OW SOL 3978 56.050 22.690 25.800 1.00 0.00 O +ATOM 13506 HW1 SOL 3978 55.280 22.250 26.160 1.00 0.00 H +ATOM 13507 HW2 SOL 3978 56.510 23.020 26.560 1.00 0.00 H +ATOM 13508 OW SOL 3979 25.430 35.800 12.860 1.00 0.00 O +ATOM 13509 HW1 SOL 3979 25.260 36.250 12.030 1.00 0.00 H +ATOM 13510 HW2 SOL 3979 26.340 35.520 12.790 1.00 0.00 H +ATOM 13511 OW SOL 3980 63.550 25.360 39.670 1.00 0.00 O +ATOM 13512 HW1 SOL 3980 63.660 26.200 39.230 1.00 0.00 H +ATOM 13513 HW2 SOL 3980 64.060 25.450 40.480 1.00 0.00 H +ATOM 13514 OW SOL 3981 29.370 13.580 21.190 1.00 0.00 O +ATOM 13515 HW1 SOL 3981 29.690 13.780 20.310 1.00 0.00 H +ATOM 13516 HW2 SOL 3981 29.100 12.660 21.160 1.00 0.00 H +ATOM 13517 OW SOL 3982 61.670 44.050 43.000 1.00 0.00 O +ATOM 13518 HW1 SOL 3982 60.990 43.440 43.300 1.00 0.00 H +ATOM 13519 HW2 SOL 3982 62.460 43.520 42.930 1.00 0.00 H +ATOM 13520 OW SOL 3983 60.780 58.760 26.480 1.00 0.00 O +ATOM 13521 HW1 SOL 3983 61.140 59.630 26.650 1.00 0.00 H +ATOM 13522 HW2 SOL 3983 60.000 58.720 27.050 1.00 0.00 H +ATOM 13523 OW SOL 3984 59.460 16.460 53.000 1.00 0.00 O +ATOM 13524 HW1 SOL 3984 59.290 17.290 53.440 1.00 0.00 H +ATOM 13525 HW2 SOL 3984 58.940 15.810 53.500 1.00 0.00 H +ATOM 13526 OW SOL 3985 8.550 56.420 23.250 1.00 0.00 O +ATOM 13527 HW1 SOL 3985 9.120 57.020 22.770 1.00 0.00 H +ATOM 13528 HW2 SOL 3985 8.450 56.820 24.120 1.00 0.00 H +ATOM 13529 OW SOL 3986 53.190 30.500 7.990 1.00 0.00 O +ATOM 13530 HW1 SOL 3986 54.110 30.350 7.750 1.00 0.00 H +ATOM 13531 HW2 SOL 3986 53.020 31.400 7.720 1.00 0.00 H +ATOM 13532 OW SOL 3987 65.430 14.620 14.720 1.00 0.00 O +ATOM 13533 HW1 SOL 3987 65.200 14.020 15.430 1.00 0.00 H +ATOM 13534 HW2 SOL 3987 64.960 15.430 14.930 1.00 0.00 H +ATOM 13535 OW SOL 3988 9.960 31.330 19.050 1.00 0.00 O +ATOM 13536 HW1 SOL 3988 10.080 31.660 18.160 1.00 0.00 H +ATOM 13537 HW2 SOL 3988 9.850 30.380 18.940 1.00 0.00 H +ATOM 13538 OW SOL 3989 45.180 12.530 2.470 1.00 0.00 O +ATOM 13539 HW1 SOL 3989 45.790 11.980 1.980 1.00 0.00 H +ATOM 13540 HW2 SOL 3989 44.360 12.040 2.480 1.00 0.00 H +ATOM 13541 OW SOL 3990 17.860 25.430 13.750 1.00 0.00 O +ATOM 13542 HW1 SOL 3990 17.610 25.570 14.660 1.00 0.00 H +ATOM 13543 HW2 SOL 3990 17.050 25.150 13.320 1.00 0.00 H +ATOM 13544 OW SOL 3991 28.860 6.370 6.200 1.00 0.00 O +ATOM 13545 HW1 SOL 3991 29.580 6.760 6.680 1.00 0.00 H +ATOM 13546 HW2 SOL 3991 29.280 5.790 5.560 1.00 0.00 H +ATOM 13547 OW SOL 3992 62.870 33.960 50.290 1.00 0.00 O +ATOM 13548 HW1 SOL 3992 62.640 34.660 50.910 1.00 0.00 H +ATOM 13549 HW2 SOL 3992 63.280 34.410 49.560 1.00 0.00 H +ATOM 13550 OW SOL 3993 52.050 50.540 10.840 1.00 0.00 O +ATOM 13551 HW1 SOL 3993 51.450 51.270 11.000 1.00 0.00 H +ATOM 13552 HW2 SOL 3993 52.850 50.960 10.530 1.00 0.00 H +ATOM 13553 OW SOL 3994 1.080 56.320 42.790 1.00 0.00 O +ATOM 13554 HW1 SOL 3994 0.840 55.400 42.940 1.00 0.00 H +ATOM 13555 HW2 SOL 3994 1.990 56.380 43.060 1.00 0.00 H +ATOM 13556 OW SOL 3995 10.180 8.080 38.280 1.00 0.00 O +ATOM 13557 HW1 SOL 3995 11.120 8.220 38.220 1.00 0.00 H +ATOM 13558 HW2 SOL 3995 10.080 7.390 38.940 1.00 0.00 H +ATOM 13559 OW SOL 3996 11.410 26.150 1.680 1.00 0.00 O +ATOM 13560 HW1 SOL 3996 11.070 25.280 1.900 1.00 0.00 H +ATOM 13561 HW2 SOL 3996 10.650 26.620 1.340 1.00 0.00 H +ATOM 13562 OW SOL 3997 43.580 33.180 38.220 1.00 0.00 O +ATOM 13563 HW1 SOL 3997 43.220 32.650 38.930 1.00 0.00 H +ATOM 13564 HW2 SOL 3997 44.030 32.560 37.650 1.00 0.00 H +ATOM 13565 OW SOL 3998 65.470 41.580 12.480 1.00 0.00 O +ATOM 13566 HW1 SOL 3998 64.760 42.160 12.730 1.00 0.00 H +ATOM 13567 HW2 SOL 3998 65.060 40.900 11.940 1.00 0.00 H +ATOM 13568 OW SOL 3999 6.010 15.990 9.270 1.00 0.00 O +ATOM 13569 HW1 SOL 3999 6.460 15.490 9.950 1.00 0.00 H +ATOM 13570 HW2 SOL 3999 5.150 16.180 9.640 1.00 0.00 H +ATOM 13571 OW SOL 4000 2.760 58.530 41.320 1.00 0.00 O +ATOM 13572 HW1 SOL 4000 2.030 57.940 41.530 1.00 0.00 H +ATOM 13573 HW2 SOL 4000 3.080 58.810 42.170 1.00 0.00 H +ATOM 13574 OW SOL 4001 9.280 32.240 49.600 1.00 0.00 O +ATOM 13575 HW1 SOL 4001 8.930 33.110 49.820 1.00 0.00 H +ATOM 13576 HW2 SOL 4001 8.510 31.680 49.530 1.00 0.00 H +ATOM 13577 OW SOL 4002 54.090 19.680 26.380 1.00 0.00 O +ATOM 13578 HW1 SOL 4002 53.280 20.060 26.050 1.00 0.00 H +ATOM 13579 HW2 SOL 4002 53.940 19.580 27.320 1.00 0.00 H +ATOM 13580 OW SOL 4003 59.410 52.860 20.100 1.00 0.00 O +ATOM 13581 HW1 SOL 4003 60.160 53.400 19.830 1.00 0.00 H +ATOM 13582 HW2 SOL 4003 59.790 52.000 20.270 1.00 0.00 H +ATOM 13583 OW SOL 4004 51.190 4.380 30.770 1.00 0.00 O +ATOM 13584 HW1 SOL 4004 51.000 5.300 30.570 1.00 0.00 H +ATOM 13585 HW2 SOL 4004 50.380 4.030 31.130 1.00 0.00 H +ATOM 13586 OW SOL 4005 32.700 59.460 48.210 1.00 0.00 O +ATOM 13587 HW1 SOL 4005 32.030 59.030 47.680 1.00 0.00 H +ATOM 13588 HW2 SOL 4005 33.530 59.120 47.880 1.00 0.00 H +ATOM 13589 OW SOL 4006 47.890 7.410 19.050 1.00 0.00 O +ATOM 13590 HW1 SOL 4006 47.870 7.950 19.840 1.00 0.00 H +ATOM 13591 HW2 SOL 4006 48.220 7.990 18.370 1.00 0.00 H +ATOM 13592 OW SOL 4007 18.220 28.690 2.300 1.00 0.00 O +ATOM 13593 HW1 SOL 4007 18.180 27.900 2.840 1.00 0.00 H +ATOM 13594 HW2 SOL 4007 17.900 28.420 1.450 1.00 0.00 H +ATOM 13595 OW SOL 4008 4.250 37.030 15.730 1.00 0.00 O +ATOM 13596 HW1 SOL 4008 3.810 36.360 16.260 1.00 0.00 H +ATOM 13597 HW2 SOL 4008 4.120 36.750 14.830 1.00 0.00 H +ATOM 13598 OW SOL 4009 18.020 32.240 7.320 1.00 0.00 O +ATOM 13599 HW1 SOL 4009 18.320 31.500 6.800 1.00 0.00 H +ATOM 13600 HW2 SOL 4009 18.760 32.430 7.910 1.00 0.00 H +ATOM 13601 OW SOL 4010 57.760 20.310 43.720 1.00 0.00 O +ATOM 13602 HW1 SOL 4010 57.830 21.030 43.090 1.00 0.00 H +ATOM 13603 HW2 SOL 4010 58.640 19.940 43.770 1.00 0.00 H +ATOM 13604 OW SOL 4011 51.490 35.170 28.460 1.00 0.00 O +ATOM 13605 HW1 SOL 4011 51.380 35.560 29.330 1.00 0.00 H +ATOM 13606 HW2 SOL 4011 50.660 35.350 28.020 1.00 0.00 H +ATOM 13607 OW SOL 4012 30.510 52.450 9.130 1.00 0.00 O +ATOM 13608 HW1 SOL 4012 30.130 53.070 9.760 1.00 0.00 H +ATOM 13609 HW2 SOL 4012 29.920 51.700 9.130 1.00 0.00 H +ATOM 13610 OW SOL 4013 46.640 4.710 3.070 1.00 0.00 O +ATOM 13611 HW1 SOL 4013 46.190 5.360 2.530 1.00 0.00 H +ATOM 13612 HW2 SOL 4013 46.310 4.860 3.960 1.00 0.00 H +ATOM 13613 OW SOL 4014 56.300 11.580 49.030 1.00 0.00 O +ATOM 13614 HW1 SOL 4014 56.960 11.130 48.510 1.00 0.00 H +ATOM 13615 HW2 SOL 4014 56.800 12.050 49.700 1.00 0.00 H +ATOM 13616 OW SOL 4015 23.190 4.910 7.890 1.00 0.00 O +ATOM 13617 HW1 SOL 4015 23.490 5.450 8.630 1.00 0.00 H +ATOM 13618 HW2 SOL 4015 23.960 4.820 7.330 1.00 0.00 H +ATOM 13619 OW SOL 4016 63.150 4.540 7.900 1.00 0.00 O +ATOM 13620 HW1 SOL 4016 63.220 5.380 8.360 1.00 0.00 H +ATOM 13621 HW2 SOL 4016 62.940 4.780 7.000 1.00 0.00 H +ATOM 13622 OW SOL 4017 56.890 52.820 16.370 1.00 0.00 O +ATOM 13623 HW1 SOL 4017 56.410 52.520 15.600 1.00 0.00 H +ATOM 13624 HW2 SOL 4017 56.620 53.730 16.480 1.00 0.00 H +ATOM 13625 OW SOL 4018 42.500 7.730 35.380 1.00 0.00 O +ATOM 13626 HW1 SOL 4018 42.180 7.590 36.270 1.00 0.00 H +ATOM 13627 HW2 SOL 4018 43.400 7.400 35.390 1.00 0.00 H +ATOM 13628 OW SOL 4019 31.660 29.940 2.710 1.00 0.00 O +ATOM 13629 HW1 SOL 4019 31.110 30.710 2.790 1.00 0.00 H +ATOM 13630 HW2 SOL 4019 32.550 30.280 2.610 1.00 0.00 H +ATOM 13631 OW SOL 4020 48.540 21.300 13.850 1.00 0.00 O +ATOM 13632 HW1 SOL 4020 48.190 21.040 14.700 1.00 0.00 H +ATOM 13633 HW2 SOL 4020 48.440 22.250 13.830 1.00 0.00 H +ATOM 13634 OW SOL 4021 38.360 3.390 41.700 1.00 0.00 O +ATOM 13635 HW1 SOL 4021 38.850 3.770 40.960 1.00 0.00 H +ATOM 13636 HW2 SOL 4021 37.510 3.180 41.330 1.00 0.00 H +ATOM 13637 OW SOL 4022 22.940 25.390 9.440 1.00 0.00 O +ATOM 13638 HW1 SOL 4022 23.550 24.900 9.990 1.00 0.00 H +ATOM 13639 HW2 SOL 4022 22.440 24.710 8.980 1.00 0.00 H +ATOM 13640 OW SOL 4023 60.840 6.070 52.510 1.00 0.00 O +ATOM 13641 HW1 SOL 4023 61.220 5.400 53.070 1.00 0.00 H +ATOM 13642 HW2 SOL 4023 60.860 5.700 51.630 1.00 0.00 H +ATOM 13643 OW SOL 4024 10.320 32.060 38.000 1.00 0.00 O +ATOM 13644 HW1 SOL 4024 9.630 31.420 38.140 1.00 0.00 H +ATOM 13645 HW2 SOL 4024 10.490 32.420 38.870 1.00 0.00 H +ATOM 13646 OW SOL 4025 22.650 11.810 24.400 1.00 0.00 O +ATOM 13647 HW1 SOL 4025 22.050 12.550 24.500 1.00 0.00 H +ATOM 13648 HW2 SOL 4025 22.990 11.890 23.510 1.00 0.00 H +ATOM 13649 OW SOL 4026 29.100 4.870 22.800 1.00 0.00 O +ATOM 13650 HW1 SOL 4026 29.850 5.380 23.090 1.00 0.00 H +ATOM 13651 HW2 SOL 4026 29.100 4.950 21.840 1.00 0.00 H +ATOM 13652 OW SOL 4027 11.140 57.720 12.660 1.00 0.00 O +ATOM 13653 HW1 SOL 4027 10.270 57.620 12.270 1.00 0.00 H +ATOM 13654 HW2 SOL 4027 11.550 56.870 12.560 1.00 0.00 H +ATOM 13655 OW SOL 4028 63.030 38.870 15.440 1.00 0.00 O +ATOM 13656 HW1 SOL 4028 63.140 38.760 14.500 1.00 0.00 H +ATOM 13657 HW2 SOL 4028 63.900 39.090 15.770 1.00 0.00 H +ATOM 13658 OW SOL 4029 62.760 11.290 24.330 1.00 0.00 O +ATOM 13659 HW1 SOL 4029 63.620 10.900 24.450 1.00 0.00 H +ATOM 13660 HW2 SOL 4029 62.430 11.450 25.210 1.00 0.00 H +ATOM 13661 OW SOL 4030 19.270 28.740 10.890 1.00 0.00 O +ATOM 13662 HW1 SOL 4030 18.910 28.800 10.000 1.00 0.00 H +ATOM 13663 HW2 SOL 4030 19.400 27.800 11.030 1.00 0.00 H +ATOM 13664 OW SOL 4031 41.900 8.650 6.250 1.00 0.00 O +ATOM 13665 HW1 SOL 4031 40.950 8.600 6.400 1.00 0.00 H +ATOM 13666 HW2 SOL 4031 41.980 8.900 5.330 1.00 0.00 H +ATOM 13667 OW SOL 4032 51.070 15.380 52.820 1.00 0.00 O +ATOM 13668 HW1 SOL 4032 50.590 14.570 52.970 1.00 0.00 H +ATOM 13669 HW2 SOL 4032 51.830 15.320 53.400 1.00 0.00 H +ATOM 13670 OW SOL 4033 5.770 16.290 42.550 1.00 0.00 O +ATOM 13671 HW1 SOL 4033 6.640 16.450 42.910 1.00 0.00 H +ATOM 13672 HW2 SOL 4033 5.560 17.080 42.060 1.00 0.00 H +ATOM 13673 OW SOL 4034 44.670 32.990 23.820 1.00 0.00 O +ATOM 13674 HW1 SOL 4034 45.300 33.560 23.390 1.00 0.00 H +ATOM 13675 HW2 SOL 4034 43.860 33.090 23.310 1.00 0.00 H +ATOM 13676 OW SOL 4035 65.450 16.410 17.590 1.00 0.00 O +ATOM 13677 HW1 SOL 4035 66.170 15.820 17.810 1.00 0.00 H +ATOM 13678 HW2 SOL 4035 64.800 16.260 18.280 1.00 0.00 H +ATOM 13679 OW SOL 4036 45.810 37.040 2.440 1.00 0.00 O +ATOM 13680 HW1 SOL 4036 46.390 37.500 3.040 1.00 0.00 H +ATOM 13681 HW2 SOL 4036 46.280 36.230 2.220 1.00 0.00 H +ATOM 13682 OW SOL 4037 63.620 36.160 31.270 1.00 0.00 O +ATOM 13683 HW1 SOL 4037 64.440 35.700 31.080 1.00 0.00 H +ATOM 13684 HW2 SOL 4037 63.590 36.870 30.630 1.00 0.00 H +ATOM 13685 OW SOL 4038 1.030 43.170 25.290 1.00 0.00 O +ATOM 13686 HW1 SOL 4038 0.570 43.070 24.460 1.00 0.00 H +ATOM 13687 HW2 SOL 4038 0.990 44.110 25.480 1.00 0.00 H +ATOM 13688 OW SOL 4039 46.750 35.200 26.220 1.00 0.00 O +ATOM 13689 HW1 SOL 4039 46.310 35.650 26.950 1.00 0.00 H +ATOM 13690 HW2 SOL 4039 46.330 34.350 26.180 1.00 0.00 H +ATOM 13691 OW SOL 4040 51.590 44.680 9.130 1.00 0.00 O +ATOM 13692 HW1 SOL 4040 50.640 44.560 9.080 1.00 0.00 H +ATOM 13693 HW2 SOL 4040 51.700 45.540 9.530 1.00 0.00 H +ATOM 13694 OW SOL 4041 18.070 26.080 31.690 1.00 0.00 O +ATOM 13695 HW1 SOL 4041 18.800 25.960 31.090 1.00 0.00 H +ATOM 13696 HW2 SOL 4041 18.190 26.960 32.050 1.00 0.00 H +ATOM 13697 OW SOL 4042 18.060 52.330 46.890 1.00 0.00 O +ATOM 13698 HW1 SOL 4042 17.190 52.530 47.240 1.00 0.00 H +ATOM 13699 HW2 SOL 4042 18.050 52.670 46.000 1.00 0.00 H +ATOM 13700 OW SOL 4043 58.450 37.840 37.360 1.00 0.00 O +ATOM 13701 HW1 SOL 4043 58.190 38.230 36.530 1.00 0.00 H +ATOM 13702 HW2 SOL 4043 59.300 37.430 37.180 1.00 0.00 H +ATOM 13703 OW SOL 4044 27.290 25.920 14.660 1.00 0.00 O +ATOM 13704 HW1 SOL 4044 26.370 26.140 14.500 1.00 0.00 H +ATOM 13705 HW2 SOL 4044 27.250 25.110 15.180 1.00 0.00 H +ATOM 13706 OW SOL 4045 43.090 24.940 35.290 1.00 0.00 O +ATOM 13707 HW1 SOL 4045 43.170 24.870 36.240 1.00 0.00 H +ATOM 13708 HW2 SOL 4045 43.970 24.780 34.960 1.00 0.00 H +ATOM 13709 OW SOL 4046 57.160 5.190 32.920 1.00 0.00 O +ATOM 13710 HW1 SOL 4046 56.370 5.720 32.830 1.00 0.00 H +ATOM 13711 HW2 SOL 4046 57.440 5.020 32.020 1.00 0.00 H +ATOM 13712 OW SOL 4047 25.170 47.390 7.410 1.00 0.00 O +ATOM 13713 HW1 SOL 4047 24.620 46.790 7.910 1.00 0.00 H +ATOM 13714 HW2 SOL 4047 25.300 46.960 6.570 1.00 0.00 H +ATOM 13715 OW SOL 4048 44.390 14.210 6.760 1.00 0.00 O +ATOM 13716 HW1 SOL 4048 44.850 14.870 6.240 1.00 0.00 H +ATOM 13717 HW2 SOL 4048 44.630 13.380 6.360 1.00 0.00 H +ATOM 13718 OW SOL 4049 3.820 8.400 15.660 1.00 0.00 O +ATOM 13719 HW1 SOL 4049 4.160 7.760 15.030 1.00 0.00 H +ATOM 13720 HW2 SOL 4049 4.190 9.240 15.370 1.00 0.00 H +ATOM 13721 OW SOL 4050 60.100 32.270 40.340 1.00 0.00 O +ATOM 13722 HW1 SOL 4050 60.650 32.100 41.100 1.00 0.00 H +ATOM 13723 HW2 SOL 4050 60.020 33.230 40.310 1.00 0.00 H +ATOM 13724 OW SOL 4051 19.410 27.840 43.200 1.00 0.00 O +ATOM 13725 HW1 SOL 4051 19.300 27.470 42.330 1.00 0.00 H +ATOM 13726 HW2 SOL 4051 18.610 27.610 43.670 1.00 0.00 H +ATOM 13727 OW SOL 4052 14.570 60.840 36.980 1.00 0.00 O +ATOM 13728 HW1 SOL 4052 14.980 60.730 36.120 1.00 0.00 H +ATOM 13729 HW2 SOL 4052 15.210 60.470 37.590 1.00 0.00 H +ATOM 13730 OW SOL 4053 54.030 15.740 28.540 1.00 0.00 O +ATOM 13731 HW1 SOL 4053 53.520 14.950 28.370 1.00 0.00 H +ATOM 13732 HW2 SOL 4053 54.470 15.920 27.710 1.00 0.00 H +ATOM 13733 OW SOL 4054 60.680 5.840 19.150 1.00 0.00 O +ATOM 13734 HW1 SOL 4054 61.040 6.650 19.500 1.00 0.00 H +ATOM 13735 HW2 SOL 4054 61.430 5.380 18.770 1.00 0.00 H +ATOM 13736 OW SOL 4055 37.090 22.860 45.100 1.00 0.00 O +ATOM 13737 HW1 SOL 4055 37.950 22.670 44.740 1.00 0.00 H +ATOM 13738 HW2 SOL 4055 36.800 23.650 44.650 1.00 0.00 H +ATOM 13739 OW SOL 4056 21.560 18.200 52.820 1.00 0.00 O +ATOM 13740 HW1 SOL 4056 21.620 19.080 53.180 1.00 0.00 H +ATOM 13741 HW2 SOL 4056 20.820 18.230 52.220 1.00 0.00 H +ATOM 13742 OW SOL 4057 9.210 30.750 33.310 1.00 0.00 O +ATOM 13743 HW1 SOL 4057 9.960 30.680 32.730 1.00 0.00 H +ATOM 13744 HW2 SOL 4057 9.030 31.690 33.380 1.00 0.00 H +ATOM 13745 OW SOL 4058 3.480 56.720 4.610 1.00 0.00 O +ATOM 13746 HW1 SOL 4058 3.730 56.650 3.690 1.00 0.00 H +ATOM 13747 HW2 SOL 4058 2.530 56.610 4.600 1.00 0.00 H +ATOM 13748 OW SOL 4059 54.340 5.810 50.690 1.00 0.00 O +ATOM 13749 HW1 SOL 4059 53.400 5.920 50.570 1.00 0.00 H +ATOM 13750 HW2 SOL 4059 54.620 6.600 51.150 1.00 0.00 H +ATOM 13751 OW SOL 4060 14.330 40.250 13.840 1.00 0.00 O +ATOM 13752 HW1 SOL 4060 14.200 39.350 14.140 1.00 0.00 H +ATOM 13753 HW2 SOL 4060 13.520 40.470 13.380 1.00 0.00 H +ATOM 13754 OW SOL 4061 45.680 47.500 6.120 1.00 0.00 O +ATOM 13755 HW1 SOL 4061 46.520 47.940 6.160 1.00 0.00 H +ATOM 13756 HW2 SOL 4061 45.040 48.180 6.320 1.00 0.00 H +ATOM 13757 OW SOL 4062 35.560 20.680 53.250 1.00 0.00 O +ATOM 13758 HW1 SOL 4062 35.640 19.840 53.710 1.00 0.00 H +ATOM 13759 HW2 SOL 4062 36.380 21.140 53.430 1.00 0.00 H +ATOM 13760 OW SOL 4063 4.780 56.590 39.770 1.00 0.00 O +ATOM 13761 HW1 SOL 4063 5.700 56.750 39.550 1.00 0.00 H +ATOM 13762 HW2 SOL 4063 4.690 56.920 40.670 1.00 0.00 H +ATOM 13763 OW SOL 4064 64.780 46.040 21.890 1.00 0.00 O +ATOM 13764 HW1 SOL 4064 65.070 46.630 21.200 1.00 0.00 H +ATOM 13765 HW2 SOL 4064 63.880 45.810 21.650 1.00 0.00 H +ATOM 13766 OW SOL 4065 27.330 4.300 2.710 1.00 0.00 O +ATOM 13767 HW1 SOL 4065 27.450 5.180 2.340 1.00 0.00 H +ATOM 13768 HW2 SOL 4065 26.520 3.980 2.310 1.00 0.00 H +ATOM 13769 OW SOL 4066 34.010 10.260 2.640 1.00 0.00 O +ATOM 13770 HW1 SOL 4066 33.440 9.790 2.030 1.00 0.00 H +ATOM 13771 HW2 SOL 4066 34.360 10.980 2.120 1.00 0.00 H +ATOM 13772 OW SOL 4067 59.780 34.430 30.290 1.00 0.00 O +ATOM 13773 HW1 SOL 4067 60.470 33.980 29.790 1.00 0.00 H +ATOM 13774 HW2 SOL 4067 58.970 34.170 29.850 1.00 0.00 H +ATOM 13775 OW SOL 4068 58.670 20.010 2.910 1.00 0.00 O +ATOM 13776 HW1 SOL 4068 58.010 19.900 2.220 1.00 0.00 H +ATOM 13777 HW2 SOL 4068 58.580 20.930 3.170 1.00 0.00 H +ATOM 13778 OW SOL 4069 19.000 2.790 21.140 1.00 0.00 O +ATOM 13779 HW1 SOL 4069 19.680 2.210 21.490 1.00 0.00 H +ATOM 13780 HW2 SOL 4069 18.580 3.170 21.910 1.00 0.00 H +ATOM 13781 OW SOL 4070 43.520 59.120 4.080 1.00 0.00 O +ATOM 13782 HW1 SOL 4070 43.020 59.170 3.270 1.00 0.00 H +ATOM 13783 HW2 SOL 4070 43.070 59.700 4.680 1.00 0.00 H +ATOM 13784 OW SOL 4071 53.970 54.450 39.130 1.00 0.00 O +ATOM 13785 HW1 SOL 4071 53.520 54.280 38.300 1.00 0.00 H +ATOM 13786 HW2 SOL 4071 54.780 54.890 38.880 1.00 0.00 H +ATOM 13787 OW SOL 4072 44.050 57.700 8.750 1.00 0.00 O +ATOM 13788 HW1 SOL 4072 43.810 57.160 9.500 1.00 0.00 H +ATOM 13789 HW2 SOL 4072 43.240 57.760 8.230 1.00 0.00 H +ATOM 13790 OW SOL 4073 45.020 2.630 9.950 1.00 0.00 O +ATOM 13791 HW1 SOL 4073 44.520 2.130 9.310 1.00 0.00 H +ATOM 13792 HW2 SOL 4073 45.030 3.520 9.610 1.00 0.00 H +ATOM 13793 OW SOL 4074 41.720 10.530 39.270 1.00 0.00 O +ATOM 13794 HW1 SOL 4074 41.100 10.110 39.860 1.00 0.00 H +ATOM 13795 HW2 SOL 4074 41.220 10.700 38.470 1.00 0.00 H +ATOM 13796 OW SOL 4075 60.300 46.680 3.850 1.00 0.00 O +ATOM 13797 HW1 SOL 4075 59.350 46.540 3.920 1.00 0.00 H +ATOM 13798 HW2 SOL 4075 60.380 47.600 3.610 1.00 0.00 H +ATOM 13799 OW SOL 4076 24.830 1.390 29.280 1.00 0.00 O +ATOM 13800 HW1 SOL 4076 24.520 1.430 28.380 1.00 0.00 H +ATOM 13801 HW2 SOL 4076 24.060 1.560 29.810 1.00 0.00 H +ATOM 13802 OW SOL 4077 36.780 49.760 47.980 1.00 0.00 O +ATOM 13803 HW1 SOL 4077 36.840 48.810 48.080 1.00 0.00 H +ATOM 13804 HW2 SOL 4077 36.040 50.010 48.530 1.00 0.00 H +ATOM 13805 OW SOL 4078 45.054 61.822 38.460 1.00 0.00 O +ATOM 13806 HW1 SOL 4078 44.924 62.282 37.630 1.00 0.00 H +ATOM 13807 HW2 SOL 4078 45.964 62.012 38.700 1.00 0.00 H +ATOM 13808 OW SOL 4079 34.170 19.040 6.790 1.00 0.00 O +ATOM 13809 HW1 SOL 4079 34.420 18.240 6.340 1.00 0.00 H +ATOM 13810 HW2 SOL 4079 33.310 19.260 6.420 1.00 0.00 H +ATOM 13811 OW SOL 4080 5.260 30.210 42.690 1.00 0.00 O +ATOM 13812 HW1 SOL 4080 5.370 29.830 41.820 1.00 0.00 H +ATOM 13813 HW2 SOL 4080 4.360 30.010 42.930 1.00 0.00 H +ATOM 13814 OW SOL 4081 14.940 44.260 21.980 1.00 0.00 O +ATOM 13815 HW1 SOL 4081 15.590 43.710 21.540 1.00 0.00 H +ATOM 13816 HW2 SOL 4081 15.450 44.850 22.530 1.00 0.00 H +ATOM 13817 OW SOL 4082 61.970 48.730 38.020 1.00 0.00 O +ATOM 13818 HW1 SOL 4082 61.090 48.660 38.380 1.00 0.00 H +ATOM 13819 HW2 SOL 4082 62.170 47.840 37.710 1.00 0.00 H +ATOM 13820 OW SOL 4083 60.980 49.850 33.690 1.00 0.00 O +ATOM 13821 HW1 SOL 4083 60.640 49.280 34.380 1.00 0.00 H +ATOM 13822 HW2 SOL 4083 60.370 49.750 32.960 1.00 0.00 H +ATOM 13823 OW SOL 4084 43.990 3.160 14.240 1.00 0.00 O +ATOM 13824 HW1 SOL 4084 44.370 3.060 13.370 1.00 0.00 H +ATOM 13825 HW2 SOL 4084 44.730 3.430 14.790 1.00 0.00 H +ATOM 13826 OW SOL 4085 23.070 52.670 4.000 1.00 0.00 O +ATOM 13827 HW1 SOL 4085 23.320 52.450 3.100 1.00 0.00 H +ATOM 13828 HW2 SOL 4085 23.160 53.630 4.030 1.00 0.00 H +ATOM 13829 OW SOL 4086 58.610 16.720 4.170 1.00 0.00 O +ATOM 13830 HW1 SOL 4086 59.130 17.460 3.870 1.00 0.00 H +ATOM 13831 HW2 SOL 4086 57.830 16.730 3.610 1.00 0.00 H +ATOM 13832 OW SOL 4087 37.200 50.040 0.450 1.00 0.00 O +ATOM 13833 HW1 SOL 4087 38.100 50.340 0.310 1.00 0.00 H +ATOM 13834 HW2 SOL 4087 36.700 50.840 0.600 1.00 0.00 H +ATOM 13835 OW SOL 4088 25.750 7.720 53.250 1.00 0.00 O +ATOM 13836 HW1 SOL 4088 25.940 8.580 52.880 1.00 0.00 H +ATOM 13837 HW2 SOL 4088 26.290 7.670 54.030 1.00 0.00 H +ATOM 13838 OW SOL 4089 60.550 4.710 25.960 1.00 0.00 O +ATOM 13839 HW1 SOL 4089 60.470 5.540 25.480 1.00 0.00 H +ATOM 13840 HW2 SOL 4089 61.490 4.540 25.990 1.00 0.00 H +ATOM 13841 OW SOL 4090 14.740 3.170 3.730 1.00 0.00 O +ATOM 13842 HW1 SOL 4090 14.860 4.040 4.100 1.00 0.00 H +ATOM 13843 HW2 SOL 4090 13.830 2.950 3.920 1.00 0.00 H +ATOM 13844 OW SOL 4091 55.980 10.090 5.090 1.00 0.00 O +ATOM 13845 HW1 SOL 4091 56.750 10.160 5.660 1.00 0.00 H +ATOM 13846 HW2 SOL 4091 55.240 10.200 5.690 1.00 0.00 H +ATOM 13847 OW SOL 4092 54.080 45.090 38.340 1.00 0.00 O +ATOM 13848 HW1 SOL 4092 54.130 45.950 38.760 1.00 0.00 H +ATOM 13849 HW2 SOL 4092 53.960 44.480 39.060 1.00 0.00 H +ATOM 13850 OW SOL 4093 48.980 53.980 35.510 1.00 0.00 O +ATOM 13851 HW1 SOL 4093 49.880 54.300 35.480 1.00 0.00 H +ATOM 13852 HW2 SOL 4093 48.810 53.670 34.620 1.00 0.00 H +ATOM 13853 OW SOL 4094 47.930 54.580 26.610 1.00 0.00 O +ATOM 13854 HW1 SOL 4094 48.270 53.930 26.000 1.00 0.00 H +ATOM 13855 HW2 SOL 4094 48.030 55.420 26.150 1.00 0.00 H +ATOM 13856 OW SOL 4095 33.010 40.810 48.160 1.00 0.00 O +ATOM 13857 HW1 SOL 4095 32.210 40.990 47.670 1.00 0.00 H +ATOM 13858 HW2 SOL 4095 33.400 41.680 48.310 1.00 0.00 H +ATOM 13859 OW SOL 4096 7.880 15.070 23.530 1.00 0.00 O +ATOM 13860 HW1 SOL 4096 7.290 15.370 22.830 1.00 0.00 H +ATOM 13861 HW2 SOL 4096 7.300 14.780 24.230 1.00 0.00 H +ATOM 13862 OW SOL 4097 63.520 27.470 50.800 1.00 0.00 O +ATOM 13863 HW1 SOL 4097 62.900 28.000 51.310 1.00 0.00 H +ATOM 13864 HW2 SOL 4097 64.310 27.440 51.340 1.00 0.00 H +ATOM 13865 OW SOL 4098 57.540 6.780 35.370 1.00 0.00 O +ATOM 13866 HW1 SOL 4098 57.840 6.250 34.630 1.00 0.00 H +ATOM 13867 HW2 SOL 4098 58.330 7.240 35.670 1.00 0.00 H +ATOM 13868 OW SOL 4099 11.210 50.370 45.430 1.00 0.00 O +ATOM 13869 HW1 SOL 4099 11.940 50.070 44.890 1.00 0.00 H +ATOM 13870 HW2 SOL 4099 11.560 50.370 46.320 1.00 0.00 H +ATOM 13871 OW SOL 4100 25.730 10.170 31.800 1.00 0.00 O +ATOM 13872 HW1 SOL 4100 25.020 9.690 32.220 1.00 0.00 H +ATOM 13873 HW2 SOL 4100 25.300 10.720 31.150 1.00 0.00 H +ATOM 13874 OW SOL 4101 43.330 58.720 14.530 1.00 0.00 O +ATOM 13875 HW1 SOL 4101 43.410 58.880 13.600 1.00 0.00 H +ATOM 13876 HW2 SOL 4101 42.430 58.420 14.650 1.00 0.00 H +ATOM 13877 OW SOL 4102 48.650 38.410 2.040 1.00 0.00 O +ATOM 13878 HW1 SOL 4102 49.440 37.880 1.970 1.00 0.00 H +ATOM 13879 HW2 SOL 4102 48.210 38.080 2.820 1.00 0.00 H +ATOM 13880 OW SOL 4103 35.440 10.230 39.940 1.00 0.00 O +ATOM 13881 HW1 SOL 4103 34.760 10.860 39.700 1.00 0.00 H +ATOM 13882 HW2 SOL 4103 34.990 9.580 40.480 1.00 0.00 H +ATOM 13883 OW SOL 4104 45.460 25.470 22.310 1.00 0.00 O +ATOM 13884 HW1 SOL 4104 46.170 25.090 21.800 1.00 0.00 H +ATOM 13885 HW2 SOL 4104 45.580 25.120 23.200 1.00 0.00 H +ATOM 13886 OW SOL 4105 64.110 15.350 51.760 1.00 0.00 O +ATOM 13887 HW1 SOL 4105 64.030 14.470 51.400 1.00 0.00 H +ATOM 13888 HW2 SOL 4105 65.040 15.450 51.940 1.00 0.00 H +ATOM 13889 OW SOL 4106 45.980 43.020 20.750 1.00 0.00 O +ATOM 13890 HW1 SOL 4106 46.510 43.310 21.490 1.00 0.00 H +ATOM 13891 HW2 SOL 4106 46.550 43.110 19.990 1.00 0.00 H +ATOM 13892 OW SOL 4107 33.570 8.040 19.570 1.00 0.00 O +ATOM 13893 HW1 SOL 4107 34.230 7.550 19.070 1.00 0.00 H +ATOM 13894 HW2 SOL 4107 34.020 8.850 19.810 1.00 0.00 H +ATOM 13895 OW SOL 4108 64.730 32.860 25.310 1.00 0.00 O +ATOM 13896 HW1 SOL 4108 65.590 32.860 24.880 1.00 0.00 H +ATOM 13897 HW2 SOL 4108 64.330 33.690 25.030 1.00 0.00 H +ATOM 13898 OW SOL 4109 25.190 57.410 49.960 1.00 0.00 O +ATOM 13899 HW1 SOL 4109 24.570 56.690 50.070 1.00 0.00 H +ATOM 13900 HW2 SOL 4109 24.660 58.200 50.030 1.00 0.00 H +ATOM 13901 OW SOL 4110 34.030 40.280 1.180 1.00 0.00 O +ATOM 13902 HW1 SOL 4110 33.280 40.130 1.750 1.00 0.00 H +ATOM 13903 HW2 SOL 4110 33.740 40.950 0.560 1.00 0.00 H +ATOM 13904 OW SOL 4111 61.070 57.520 15.310 1.00 0.00 O +ATOM 13905 HW1 SOL 4111 61.280 57.490 14.380 1.00 0.00 H +ATOM 13906 HW2 SOL 4111 60.250 57.030 15.390 1.00 0.00 H +ATOM 13907 OW SOL 4112 47.510 16.880 48.880 1.00 0.00 O +ATOM 13908 HW1 SOL 4112 47.260 16.420 48.080 1.00 0.00 H +ATOM 13909 HW2 SOL 4112 48.470 16.950 48.820 1.00 0.00 H +ATOM 13910 OW SOL 4113 35.170 6.860 49.670 1.00 0.00 O +ATOM 13911 HW1 SOL 4113 35.280 6.720 48.720 1.00 0.00 H +ATOM 13912 HW2 SOL 4113 35.600 6.100 50.070 1.00 0.00 H +ATOM 13913 OW SOL 4114 58.280 35.060 35.580 1.00 0.00 O +ATOM 13914 HW1 SOL 4114 58.380 34.930 34.640 1.00 0.00 H +ATOM 13915 HW2 SOL 4114 58.910 34.450 35.980 1.00 0.00 H +ATOM 13916 OW SOL 4115 45.710 39.160 8.360 1.00 0.00 O +ATOM 13917 HW1 SOL 4115 46.200 38.460 8.790 1.00 0.00 H +ATOM 13918 HW2 SOL 4115 45.450 39.750 9.060 1.00 0.00 H +ATOM 13919 OW SOL 4116 11.330 46.580 8.240 1.00 0.00 O +ATOM 13920 HW1 SOL 4116 11.910 45.830 8.110 1.00 0.00 H +ATOM 13921 HW2 SOL 4116 11.340 46.730 9.180 1.00 0.00 H +ATOM 13922 OW SOL 4117 48.620 57.200 25.620 1.00 0.00 O +ATOM 13923 HW1 SOL 4117 48.650 57.840 26.330 1.00 0.00 H +ATOM 13924 HW2 SOL 4117 49.520 56.900 25.530 1.00 0.00 H +ATOM 13925 OW SOL 4118 17.460 60.740 51.740 1.00 0.00 O +ATOM 13926 HW1 SOL 4118 18.040 60.220 51.180 1.00 0.00 H +ATOM 13927 HW2 SOL 4118 16.850 61.150 51.120 1.00 0.00 H +ATOM 13928 OW SOL 4119 6.670 48.430 33.690 1.00 0.00 O +ATOM 13929 HW1 SOL 4119 6.590 48.370 32.740 1.00 0.00 H +ATOM 13930 HW2 SOL 4119 6.600 47.520 34.000 1.00 0.00 H +ATOM 13931 OW SOL 4120 56.230 34.240 51.740 1.00 0.00 O +ATOM 13932 HW1 SOL 4120 55.530 33.660 52.040 1.00 0.00 H +ATOM 13933 HW2 SOL 4120 56.880 33.660 51.360 1.00 0.00 H +ATOM 13934 OW SOL 4121 64.500 22.650 8.730 1.00 0.00 O +ATOM 13935 HW1 SOL 4121 63.870 23.310 8.440 1.00 0.00 H +ATOM 13936 HW2 SOL 4121 64.030 22.140 9.390 1.00 0.00 H +ATOM 13937 OW SOL 4122 26.470 29.850 15.930 1.00 0.00 O +ATOM 13938 HW1 SOL 4122 26.600 29.610 16.850 1.00 0.00 H +ATOM 13939 HW2 SOL 4122 25.570 29.590 15.740 1.00 0.00 H +ATOM 13940 OW SOL 4123 61.810 52.090 14.660 1.00 0.00 O +ATOM 13941 HW1 SOL 4123 61.700 51.980 13.710 1.00 0.00 H +ATOM 13942 HW2 SOL 4123 60.940 51.950 15.020 1.00 0.00 H +ATOM 13943 OW SOL 4124 16.360 21.140 49.990 1.00 0.00 O +ATOM 13944 HW1 SOL 4124 16.990 20.440 49.800 1.00 0.00 H +ATOM 13945 HW2 SOL 4124 16.270 21.610 49.160 1.00 0.00 H +ATOM 13946 OW SOL 4125 38.000 0.580 52.050 1.00 0.00 O +ATOM 13947 HW1 SOL 4125 37.180 1.010 51.810 1.00 0.00 H +ATOM 13948 HW2 SOL 4125 38.160 -0.050 51.350 1.00 0.00 H +ATOM 13949 OW SOL 4126 47.490 58.510 9.970 1.00 0.00 O +ATOM 13950 HW1 SOL 4126 47.950 57.820 9.490 1.00 0.00 H +ATOM 13951 HW2 SOL 4126 47.590 58.280 10.890 1.00 0.00 H +ATOM 13952 OW SOL 4127 13.370 34.220 34.450 1.00 0.00 O +ATOM 13953 HW1 SOL 4127 12.460 33.960 34.620 1.00 0.00 H +ATOM 13954 HW2 SOL 4127 13.620 33.720 33.680 1.00 0.00 H +ATOM 13955 OW SOL 4128 33.180 34.620 50.680 1.00 0.00 O +ATOM 13956 HW1 SOL 4128 33.330 34.230 51.540 1.00 0.00 H +ATOM 13957 HW2 SOL 4128 33.840 34.230 50.110 1.00 0.00 H +ATOM 13958 OW SOL 4129 38.220 28.310 46.350 1.00 0.00 O +ATOM 13959 HW1 SOL 4129 39.020 27.790 46.310 1.00 0.00 H +ATOM 13960 HW2 SOL 4129 38.390 28.960 47.030 1.00 0.00 H +ATOM 13961 OW SOL 4130 25.330 6.300 42.550 1.00 0.00 O +ATOM 13962 HW1 SOL 4130 26.090 6.870 42.630 1.00 0.00 H +ATOM 13963 HW2 SOL 4130 24.580 6.850 42.790 1.00 0.00 H +ATOM 13964 OW SOL 4131 46.060 42.390 16.330 1.00 0.00 O +ATOM 13965 HW1 SOL 4131 46.930 42.070 16.100 1.00 0.00 H +ATOM 13966 HW2 SOL 4131 45.920 42.090 17.230 1.00 0.00 H +ATOM 13967 OW SOL 4132 62.170 40.820 28.570 1.00 0.00 O +ATOM 13968 HW1 SOL 4132 62.030 39.930 28.910 1.00 0.00 H +ATOM 13969 HW2 SOL 4132 63.040 40.800 28.190 1.00 0.00 H +ATOM 13970 OW SOL 4133 60.040 22.940 15.340 1.00 0.00 O +ATOM 13971 HW1 SOL 4133 59.880 23.800 15.740 1.00 0.00 H +ATOM 13972 HW2 SOL 4133 59.290 22.810 14.750 1.00 0.00 H +ATOM 13973 OW SOL 4134 11.920 8.970 48.160 1.00 0.00 O +ATOM 13974 HW1 SOL 4134 12.390 9.240 47.370 1.00 0.00 H +ATOM 13975 HW2 SOL 4134 12.610 8.840 48.820 1.00 0.00 H +ATOM 13976 OW SOL 4135 23.900 21.470 23.900 1.00 0.00 O +ATOM 13977 HW1 SOL 4135 23.800 21.310 22.960 1.00 0.00 H +ATOM 13978 HW2 SOL 4135 23.030 21.310 24.260 1.00 0.00 H +ATOM 13979 OW SOL 4136 61.000 61.140 3.620 1.00 0.00 O +ATOM 13980 HW1 SOL 4136 61.620 61.790 3.950 1.00 0.00 H +ATOM 13981 HW2 SOL 4136 61.250 61.020 2.700 1.00 0.00 H +ATOM 13982 OW SOL 4137 2.720 43.170 47.240 1.00 0.00 O +ATOM 13983 HW1 SOL 4137 1.800 43.190 47.480 1.00 0.00 H +ATOM 13984 HW2 SOL 4137 2.850 42.310 46.850 1.00 0.00 H +ATOM 13985 OW SOL 4138 9.710 6.360 43.960 1.00 0.00 O +ATOM 13986 HW1 SOL 4138 9.750 6.000 43.070 1.00 0.00 H +ATOM 13987 HW2 SOL 4138 10.310 7.110 43.940 1.00 0.00 H +ATOM 13988 OW SOL 4139 50.580 61.080 21.150 1.00 0.00 O +ATOM 13989 HW1 SOL 4139 51.450 61.440 20.980 1.00 0.00 H +ATOM 13990 HW2 SOL 4139 50.040 61.850 21.350 1.00 0.00 H +ATOM 13991 OW SOL 4140 12.030 30.370 0.070 1.00 0.00 O +ATOM 13992 HW1 SOL 4140 12.850 30.090 0.480 1.00 0.00 H +ATOM 13993 HW2 SOL 4140 11.970 31.310 0.260 1.00 0.00 H +ATOM 13994 OW SOL 4141 64.420 33.030 7.950 1.00 0.00 O +ATOM 13995 HW1 SOL 4141 63.520 32.730 7.900 1.00 0.00 H +ATOM 13996 HW2 SOL 4141 64.770 32.900 7.070 1.00 0.00 H +ATOM 13997 OW SOL 4142 32.980 59.450 43.960 1.00 0.00 O +ATOM 13998 HW1 SOL 4142 33.020 58.510 43.840 1.00 0.00 H +ATOM 13999 HW2 SOL 4142 33.570 59.630 44.700 1.00 0.00 H +ATOM 14000 OW SOL 4143 41.560 39.880 48.810 1.00 0.00 O +ATOM 14001 HW1 SOL 4143 41.620 40.360 47.990 1.00 0.00 H +ATOM 14002 HW2 SOL 4143 40.680 40.070 49.140 1.00 0.00 H +ATOM 14003 OW SOL 4144 23.890 36.090 48.230 1.00 0.00 O +ATOM 14004 HW1 SOL 4144 22.930 36.120 48.300 1.00 0.00 H +ATOM 14005 HW2 SOL 4144 24.080 36.510 47.400 1.00 0.00 H +ATOM 14006 OW SOL 4145 36.410 45.030 0.630 1.00 0.00 O +ATOM 14007 HW1 SOL 4145 36.420 45.100 1.590 1.00 0.00 H +ATOM 14008 HW2 SOL 4145 36.270 44.100 0.460 1.00 0.00 H +ATOM 14009 OW SOL 4146 18.640 38.320 6.880 1.00 0.00 O +ATOM 14010 HW1 SOL 4146 17.920 37.690 6.980 1.00 0.00 H +ATOM 14011 HW2 SOL 4146 18.450 38.760 6.050 1.00 0.00 H +ATOM 14012 OW SOL 4147 51.860 31.650 43.490 1.00 0.00 O +ATOM 14013 HW1 SOL 4147 50.990 31.250 43.600 1.00 0.00 H +ATOM 14014 HW2 SOL 4147 52.180 31.750 44.390 1.00 0.00 H +ATOM 14015 OW SOL 4148 62.330 37.880 25.400 1.00 0.00 O +ATOM 14016 HW1 SOL 4148 61.910 37.690 26.240 1.00 0.00 H +ATOM 14017 HW2 SOL 4148 61.630 37.820 24.760 1.00 0.00 H +ATOM 14018 OW SOL 4149 4.170 55.420 30.460 1.00 0.00 O +ATOM 14019 HW1 SOL 4149 4.620 54.660 30.090 1.00 0.00 H +ATOM 14020 HW2 SOL 4149 4.850 55.860 30.980 1.00 0.00 H +ATOM 14021 OW SOL 4150 23.240 40.080 5.580 1.00 0.00 O +ATOM 14022 HW1 SOL 4150 23.720 39.940 4.770 1.00 0.00 H +ATOM 14023 HW2 SOL 4150 23.610 40.890 5.940 1.00 0.00 H +ATOM 14024 OW SOL 4151 39.360 16.000 16.510 1.00 0.00 O +ATOM 14025 HW1 SOL 4151 39.470 16.950 16.470 1.00 0.00 H +ATOM 14026 HW2 SOL 4151 40.170 15.650 16.130 1.00 0.00 H +ATOM 14027 OW SOL 4152 14.340 61.460 6.100 1.00 0.00 O +ATOM 14028 HW1 SOL 4152 14.100 62.150 5.490 1.00 0.00 H +ATOM 14029 HW2 SOL 4152 14.760 61.920 6.830 1.00 0.00 H +ATOM 14030 OW SOL 4153 21.570 7.120 10.580 1.00 0.00 O +ATOM 14031 HW1 SOL 4153 22.150 7.860 10.760 1.00 0.00 H +ATOM 14032 HW2 SOL 4153 21.260 7.260 9.690 1.00 0.00 H +ATOM 14033 OW SOL 4154 1.720 55.640 28.980 1.00 0.00 O +ATOM 14034 HW1 SOL 4154 2.300 55.420 29.710 1.00 0.00 H +ATOM 14035 HW2 SOL 4154 2.310 55.900 28.270 1.00 0.00 H +ATOM 14036 OW SOL 4155 43.780 43.790 15.990 1.00 0.00 O +ATOM 14037 HW1 SOL 4155 43.960 44.360 15.240 1.00 0.00 H +ATOM 14038 HW2 SOL 4155 44.590 43.300 16.110 1.00 0.00 H +ATOM 14039 OW SOL 4156 63.610 56.660 24.700 1.00 0.00 O +ATOM 14040 HW1 SOL 4156 63.310 55.820 25.050 1.00 0.00 H +ATOM 14041 HW2 SOL 4156 64.530 56.520 24.490 1.00 0.00 H +ATOM 14042 OW SOL 4157 11.060 1.860 50.130 1.00 0.00 O +ATOM 14043 HW1 SOL 4157 10.450 2.500 49.760 1.00 0.00 H +ATOM 14044 HW2 SOL 4157 10.730 1.010 49.840 1.00 0.00 H +ATOM 14045 OW SOL 4158 6.210 37.820 38.720 1.00 0.00 O +ATOM 14046 HW1 SOL 4158 6.800 38.550 38.530 1.00 0.00 H +ATOM 14047 HW2 SOL 4158 6.710 37.270 39.320 1.00 0.00 H +ATOM 14048 OW SOL 4159 5.080 27.920 40.980 1.00 0.00 O +ATOM 14049 HW1 SOL 4159 4.460 27.310 40.580 1.00 0.00 H +ATOM 14050 HW2 SOL 4159 5.740 27.360 41.390 1.00 0.00 H +ATOM 14051 OW SOL 4160 41.070 40.500 14.800 1.00 0.00 O +ATOM 14052 HW1 SOL 4160 40.830 40.640 15.720 1.00 0.00 H +ATOM 14053 HW2 SOL 4160 42.030 40.500 14.790 1.00 0.00 H +ATOM 14054 OW SOL 4161 38.580 16.360 0.980 1.00 0.00 O +ATOM 14055 HW1 SOL 4161 39.220 15.870 1.510 1.00 0.00 H +ATOM 14056 HW2 SOL 4161 38.450 15.810 0.210 1.00 0.00 H +ATOM 14057 OW SOL 4162 47.160 33.870 49.370 1.00 0.00 O +ATOM 14058 HW1 SOL 4162 46.580 34.560 49.040 1.00 0.00 H +ATOM 14059 HW2 SOL 4162 47.050 33.900 50.320 1.00 0.00 H +ATOM 14060 OW SOL 4163 31.420 45.100 0.570 1.00 0.00 O +ATOM 14061 HW1 SOL 4163 31.680 45.480 1.410 1.00 0.00 H +ATOM 14062 HW2 SOL 4163 31.830 44.230 0.560 1.00 0.00 H +ATOM 14063 OW SOL 4164 11.450 25.400 52.710 1.00 0.00 O +ATOM 14064 HW1 SOL 4164 10.880 25.000 52.060 1.00 0.00 H +ATOM 14065 HW2 SOL 4164 11.100 26.280 52.820 1.00 0.00 H +ATOM 14066 OW SOL 4165 38.390 3.180 45.230 1.00 0.00 O +ATOM 14067 HW1 SOL 4165 38.950 3.400 45.970 1.00 0.00 H +ATOM 14068 HW2 SOL 4165 37.560 2.920 45.630 1.00 0.00 H +ATOM 14069 OW SOL 4166 39.380 1.710 7.950 1.00 0.00 O +ATOM 14070 HW1 SOL 4166 39.230 1.660 8.890 1.00 0.00 H +ATOM 14071 HW2 SOL 4166 39.290 0.800 7.640 1.00 0.00 H +ATOM 14072 OW SOL 4167 8.030 1.170 34.970 1.00 0.00 O +ATOM 14073 HW1 SOL 4167 7.520 0.390 35.160 1.00 0.00 H +ATOM 14074 HW2 SOL 4167 8.580 1.290 35.740 1.00 0.00 H +ATOM 14075 OW SOL 4168 62.950 24.780 3.300 1.00 0.00 O +ATOM 14076 HW1 SOL 4168 62.530 25.590 3.610 1.00 0.00 H +ATOM 14077 HW2 SOL 4168 63.880 25.000 3.270 1.00 0.00 H +ATOM 14078 OW SOL 4169 17.796 0.118 49.280 1.00 0.00 O +ATOM 14079 HW1 SOL 4169 17.846 -0.012 50.230 1.00 0.00 H +ATOM 14080 HW2 SOL 4169 18.596 -0.272 48.940 1.00 0.00 H +ATOM 14081 OW SOL 4170 45.720 27.950 30.640 1.00 0.00 O +ATOM 14082 HW1 SOL 4170 46.260 27.830 29.860 1.00 0.00 H +ATOM 14083 HW2 SOL 4170 46.270 28.470 31.240 1.00 0.00 H +ATOM 14084 OW SOL 4171 28.990 31.770 44.360 1.00 0.00 O +ATOM 14085 HW1 SOL 4171 29.670 32.330 44.730 1.00 0.00 H +ATOM 14086 HW2 SOL 4171 28.190 32.060 44.780 1.00 0.00 H +ATOM 14087 OW SOL 4172 3.730 14.350 22.560 1.00 0.00 O +ATOM 14088 HW1 SOL 4172 3.150 15.110 22.520 1.00 0.00 H +ATOM 14089 HW2 SOL 4172 3.750 14.110 23.490 1.00 0.00 H +ATOM 14090 OW SOL 4173 13.590 23.010 6.750 1.00 0.00 O +ATOM 14091 HW1 SOL 4173 13.080 22.500 6.120 1.00 0.00 H +ATOM 14092 HW2 SOL 4173 13.260 23.910 6.660 1.00 0.00 H +ATOM 14093 OW SOL 4174 18.630 3.840 47.530 1.00 0.00 O +ATOM 14094 HW1 SOL 4174 17.780 3.440 47.720 1.00 0.00 H +ATOM 14095 HW2 SOL 4174 18.850 3.550 46.650 1.00 0.00 H +ATOM 14096 OW SOL 4175 11.790 27.280 13.020 1.00 0.00 O +ATOM 14097 HW1 SOL 4175 12.360 26.530 12.860 1.00 0.00 H +ATOM 14098 HW2 SOL 4175 11.340 27.070 13.840 1.00 0.00 H +ATOM 14099 OW SOL 4176 17.470 27.340 8.170 1.00 0.00 O +ATOM 14100 HW1 SOL 4176 16.630 27.070 8.550 1.00 0.00 H +ATOM 14101 HW2 SOL 4176 17.330 28.250 7.900 1.00 0.00 H +ATOM 14102 OW SOL 4177 62.810 24.360 15.340 1.00 0.00 O +ATOM 14103 HW1 SOL 4177 62.640 24.590 16.250 1.00 0.00 H +ATOM 14104 HW2 SOL 4177 62.110 23.750 15.110 1.00 0.00 H +ATOM 14105 OW SOL 4178 60.690 39.370 40.840 1.00 0.00 O +ATOM 14106 HW1 SOL 4178 60.210 39.520 41.660 1.00 0.00 H +ATOM 14107 HW2 SOL 4178 60.130 39.770 40.170 1.00 0.00 H +ATOM 14108 OW SOL 4179 30.630 22.650 31.250 1.00 0.00 O +ATOM 14109 HW1 SOL 4179 30.950 22.380 30.390 1.00 0.00 H +ATOM 14110 HW2 SOL 4179 31.420 22.800 31.770 1.00 0.00 H +ATOM 14111 OW SOL 4180 41.790 2.330 45.450 1.00 0.00 O +ATOM 14112 HW1 SOL 4180 42.020 3.200 45.150 1.00 0.00 H +ATOM 14113 HW2 SOL 4180 41.670 2.430 46.400 1.00 0.00 H +ATOM 14114 OW SOL 4181 15.380 5.560 21.020 1.00 0.00 O +ATOM 14115 HW1 SOL 4181 15.230 5.300 20.110 1.00 0.00 H +ATOM 14116 HW2 SOL 4181 14.510 5.600 21.400 1.00 0.00 H +ATOM 14117 OW SOL 4182 28.730 53.560 2.150 1.00 0.00 O +ATOM 14118 HW1 SOL 4182 28.470 52.720 2.530 1.00 0.00 H +ATOM 14119 HW2 SOL 4182 28.660 53.420 1.200 1.00 0.00 H +ATOM 14120 OW SOL 4183 63.750 51.410 18.430 1.00 0.00 O +ATOM 14121 HW1 SOL 4183 62.870 51.070 18.280 1.00 0.00 H +ATOM 14122 HW2 SOL 4183 63.650 52.360 18.410 1.00 0.00 H +ATOM 14123 OW SOL 4184 52.420 37.420 43.630 1.00 0.00 O +ATOM 14124 HW1 SOL 4184 51.690 37.870 44.040 1.00 0.00 H +ATOM 14125 HW2 SOL 4184 53.110 37.420 44.300 1.00 0.00 H +ATOM 14126 OW SOL 4185 18.660 58.650 50.170 1.00 0.00 O +ATOM 14127 HW1 SOL 4185 17.790 58.300 50.340 1.00 0.00 H +ATOM 14128 HW2 SOL 4185 19.240 58.150 50.740 1.00 0.00 H +ATOM 14129 OW SOL 4186 14.410 31.990 1.990 1.00 0.00 O +ATOM 14130 HW1 SOL 4186 15.340 32.170 2.150 1.00 0.00 H +ATOM 14131 HW2 SOL 4186 13.980 32.840 2.050 1.00 0.00 H +ATOM 14132 OW SOL 4187 1.180 6.100 3.560 1.00 0.00 O +ATOM 14133 HW1 SOL 4187 0.520 5.430 3.410 1.00 0.00 H +ATOM 14134 HW2 SOL 4187 1.040 6.380 4.460 1.00 0.00 H +ATOM 14135 OW SOL 4188 38.050 25.870 3.980 1.00 0.00 O +ATOM 14136 HW1 SOL 4188 37.580 25.150 3.560 1.00 0.00 H +ATOM 14137 HW2 SOL 4188 38.930 25.850 3.600 1.00 0.00 H +ATOM 14138 OW SOL 4189 47.130 2.530 40.720 1.00 0.00 O +ATOM 14139 HW1 SOL 4189 47.310 1.620 40.960 1.00 0.00 H +ATOM 14140 HW2 SOL 4189 46.900 2.490 39.790 1.00 0.00 H +ATOM 14141 OW SOL 4190 58.460 58.090 28.460 1.00 0.00 O +ATOM 14142 HW1 SOL 4190 59.280 57.910 28.930 1.00 0.00 H +ATOM 14143 HW2 SOL 4190 57.780 57.980 29.130 1.00 0.00 H +ATOM 14144 OW SOL 4191 48.500 54.000 41.980 1.00 0.00 O +ATOM 14145 HW1 SOL 4191 49.120 54.660 41.670 1.00 0.00 H +ATOM 14146 HW2 SOL 4191 48.190 54.330 42.820 1.00 0.00 H +ATOM 14147 OW SOL 4192 3.720 44.680 26.020 1.00 0.00 O +ATOM 14148 HW1 SOL 4192 3.010 45.190 25.630 1.00 0.00 H +ATOM 14149 HW2 SOL 4192 3.280 44.070 26.620 1.00 0.00 H +ATOM 14150 OW SOL 4193 0.310 20.250 16.720 1.00 0.00 O +ATOM 14151 HW1 SOL 4193 0.570 21.120 16.400 1.00 0.00 H +ATOM 14152 HW2 SOL 4193 0.080 19.770 15.930 1.00 0.00 H +ATOM 14153 OW SOL 4194 37.840 32.260 16.920 1.00 0.00 O +ATOM 14154 HW1 SOL 4194 38.280 31.420 17.040 1.00 0.00 H +ATOM 14155 HW2 SOL 4194 38.440 32.910 17.290 1.00 0.00 H +ATOM 14156 OW SOL 4195 52.240 48.820 42.120 1.00 0.00 O +ATOM 14157 HW1 SOL 4195 51.670 48.840 42.890 1.00 0.00 H +ATOM 14158 HW2 SOL 4195 53.130 48.880 42.480 1.00 0.00 H +ATOM 14159 OW SOL 4196 53.130 28.110 18.040 1.00 0.00 O +ATOM 14160 HW1 SOL 4196 52.590 28.360 17.290 1.00 0.00 H +ATOM 14161 HW2 SOL 4196 53.560 27.290 17.760 1.00 0.00 H +ATOM 14162 OW SOL 4197 11.600 34.260 15.920 1.00 0.00 O +ATOM 14163 HW1 SOL 4197 12.510 34.470 15.670 1.00 0.00 H +ATOM 14164 HW2 SOL 4197 11.360 33.550 15.330 1.00 0.00 H +ATOM 14165 OW SOL 4198 43.910 53.530 35.860 1.00 0.00 O +ATOM 14166 HW1 SOL 4198 44.140 53.170 36.720 1.00 0.00 H +ATOM 14167 HW2 SOL 4198 43.260 54.200 36.050 1.00 0.00 H +ATOM 14168 OW SOL 4199 16.600 39.300 38.770 1.00 0.00 O +ATOM 14169 HW1 SOL 4199 16.570 39.270 39.730 1.00 0.00 H +ATOM 14170 HW2 SOL 4199 16.700 38.390 38.500 1.00 0.00 H +ATOM 14171 OW SOL 4200 33.610 52.320 47.810 1.00 0.00 O +ATOM 14172 HW1 SOL 4200 32.750 52.700 47.620 1.00 0.00 H +ATOM 14173 HW2 SOL 4200 34.210 52.760 47.210 1.00 0.00 H +ATOM 14174 OW SOL 4201 63.240 42.370 19.380 1.00 0.00 O +ATOM 14175 HW1 SOL 4201 64.020 42.910 19.490 1.00 0.00 H +ATOM 14176 HW2 SOL 4201 63.090 42.350 18.440 1.00 0.00 H +ATOM 14177 OW SOL 4202 4.450 52.060 14.970 1.00 0.00 O +ATOM 14178 HW1 SOL 4202 3.890 51.940 15.730 1.00 0.00 H +ATOM 14179 HW2 SOL 4202 5.320 51.770 15.260 1.00 0.00 H +ATOM 14180 OW SOL 4203 46.790 40.710 24.490 1.00 0.00 O +ATOM 14181 HW1 SOL 4203 47.300 40.180 23.880 1.00 0.00 H +ATOM 14182 HW2 SOL 4203 46.930 40.300 25.350 1.00 0.00 H +ATOM 14183 OW SOL 4204 57.530 26.310 24.540 1.00 0.00 O +ATOM 14184 HW1 SOL 4204 58.340 26.170 25.030 1.00 0.00 H +ATOM 14185 HW2 SOL 4204 57.780 26.210 23.620 1.00 0.00 H +ATOM 14186 OW SOL 4205 3.620 39.560 48.940 1.00 0.00 O +ATOM 14187 HW1 SOL 4205 4.520 39.520 49.280 1.00 0.00 H +ATOM 14188 HW2 SOL 4205 3.340 40.460 49.110 1.00 0.00 H +ATOM 14189 OW SOL 4206 62.580 61.090 17.950 1.00 0.00 O +ATOM 14190 HW1 SOL 4206 61.770 60.610 17.750 1.00 0.00 H +ATOM 14191 HW2 SOL 4206 62.560 61.190 18.910 1.00 0.00 H +ATOM 14192 OW SOL 4207 58.530 37.360 27.000 1.00 0.00 O +ATOM 14193 HW1 SOL 4207 57.780 37.360 26.400 1.00 0.00 H +ATOM 14194 HW2 SOL 4207 59.120 36.690 26.640 1.00 0.00 H +ATOM 14195 OW SOL 4208 8.820 8.060 25.410 1.00 0.00 O +ATOM 14196 HW1 SOL 4208 8.180 8.490 24.840 1.00 0.00 H +ATOM 14197 HW2 SOL 4208 8.510 8.220 26.300 1.00 0.00 H +ATOM 14198 OW SOL 4209 53.890 22.590 27.650 1.00 0.00 O +ATOM 14199 HW1 SOL 4209 53.030 22.250 27.430 1.00 0.00 H +ATOM 14200 HW2 SOL 4209 53.800 23.540 27.600 1.00 0.00 H +ATOM 14201 OW SOL 4210 3.370 48.240 44.140 1.00 0.00 O +ATOM 14202 HW1 SOL 4210 3.870 47.840 44.850 1.00 0.00 H +ATOM 14203 HW2 SOL 4210 3.630 47.750 43.360 1.00 0.00 H +ATOM 14204 OW SOL 4211 17.550 45.890 36.250 1.00 0.00 O +ATOM 14205 HW1 SOL 4211 17.360 45.070 35.810 1.00 0.00 H +ATOM 14206 HW2 SOL 4211 17.420 46.560 35.570 1.00 0.00 H +ATOM 14207 OW SOL 4212 10.070 41.330 39.360 1.00 0.00 O +ATOM 14208 HW1 SOL 4212 10.320 40.910 40.180 1.00 0.00 H +ATOM 14209 HW2 SOL 4212 10.880 41.720 39.030 1.00 0.00 H +ATOM 14210 OW SOL 4213 26.210 32.640 20.700 1.00 0.00 O +ATOM 14211 HW1 SOL 4213 26.460 33.540 20.910 1.00 0.00 H +ATOM 14212 HW2 SOL 4213 25.260 32.630 20.810 1.00 0.00 H +ATOM 14213 OW SOL 4214 64.950 29.440 31.760 1.00 0.00 O +ATOM 14214 HW1 SOL 4214 65.400 30.060 32.330 1.00 0.00 H +ATOM 14215 HW2 SOL 4214 64.050 29.420 32.080 1.00 0.00 H +ATOM 14216 OW SOL 4215 14.350 30.200 26.910 1.00 0.00 O +ATOM 14217 HW1 SOL 4215 14.990 30.910 26.950 1.00 0.00 H +ATOM 14218 HW2 SOL 4215 13.650 30.550 26.350 1.00 0.00 H +ATOM 14219 OW SOL 4216 6.560 42.460 19.200 1.00 0.00 O +ATOM 14220 HW1 SOL 4216 6.450 43.160 18.560 1.00 0.00 H +ATOM 14221 HW2 SOL 4216 7.380 42.680 19.660 1.00 0.00 H +ATOM 14222 OW SOL 4217 37.430 57.840 49.120 1.00 0.00 O +ATOM 14223 HW1 SOL 4217 36.990 58.430 48.510 1.00 0.00 H +ATOM 14224 HW2 SOL 4217 36.720 57.350 49.540 1.00 0.00 H +ATOM 14225 OW SOL 4218 55.210 2.560 47.070 1.00 0.00 O +ATOM 14226 HW1 SOL 4218 55.900 2.010 47.430 1.00 0.00 H +ATOM 14227 HW2 SOL 4218 54.560 2.630 47.780 1.00 0.00 H +ATOM 14228 OW SOL 4219 52.290 19.310 48.310 1.00 0.00 O +ATOM 14229 HW1 SOL 4219 52.880 19.550 49.020 1.00 0.00 H +ATOM 14230 HW2 SOL 4219 52.860 19.260 47.530 1.00 0.00 H +ATOM 14231 OW SOL 4220 4.920 42.900 22.430 1.00 0.00 O +ATOM 14232 HW1 SOL 4220 4.940 43.380 21.600 1.00 0.00 H +ATOM 14233 HW2 SOL 4220 5.580 43.340 22.970 1.00 0.00 H +ATOM 14234 OW SOL 4221 45.550 57.320 32.170 1.00 0.00 O +ATOM 14235 HW1 SOL 4221 44.950 57.120 31.450 1.00 0.00 H +ATOM 14236 HW2 SOL 4221 45.520 56.540 32.730 1.00 0.00 H +ATOM 14237 OW SOL 4222 43.920 26.170 7.090 1.00 0.00 O +ATOM 14238 HW1 SOL 4222 44.720 26.080 7.590 1.00 0.00 H +ATOM 14239 HW2 SOL 4222 43.820 25.340 6.630 1.00 0.00 H +ATOM 14240 OW SOL 4223 61.380 32.920 18.850 1.00 0.00 O +ATOM 14241 HW1 SOL 4223 60.910 33.600 19.330 1.00 0.00 H +ATOM 14242 HW2 SOL 4223 62.130 32.710 19.410 1.00 0.00 H +ATOM 14243 OW SOL 4224 19.610 6.530 37.730 1.00 0.00 O +ATOM 14244 HW1 SOL 4224 19.670 6.740 36.800 1.00 0.00 H +ATOM 14245 HW2 SOL 4224 20.520 6.520 38.040 1.00 0.00 H +ATOM 14246 OW SOL 4225 56.420 20.610 0.820 1.00 0.00 O +ATOM 14247 HW1 SOL 4225 56.250 21.430 0.370 1.00 0.00 H +ATOM 14248 HW2 SOL 4225 55.780 20.580 1.530 1.00 0.00 H +ATOM 14249 OW SOL 4226 17.030 27.810 26.750 1.00 0.00 O +ATOM 14250 HW1 SOL 4226 17.360 26.960 27.020 1.00 0.00 H +ATOM 14251 HW2 SOL 4226 16.080 27.720 26.810 1.00 0.00 H +ATOM 14252 OW SOL 4227 45.170 13.070 43.620 1.00 0.00 O +ATOM 14253 HW1 SOL 4227 45.700 12.790 42.880 1.00 0.00 H +ATOM 14254 HW2 SOL 4227 44.630 13.780 43.280 1.00 0.00 H +ATOM 14255 OW SOL 4228 35.640 7.530 37.570 1.00 0.00 O +ATOM 14256 HW1 SOL 4228 34.750 7.840 37.390 1.00 0.00 H +ATOM 14257 HW2 SOL 4228 35.730 7.600 38.520 1.00 0.00 H +ATOM 14258 OW SOL 4229 31.820 15.250 5.150 1.00 0.00 O +ATOM 14259 HW1 SOL 4229 31.780 14.300 5.010 1.00 0.00 H +ATOM 14260 HW2 SOL 4229 32.750 15.460 5.060 1.00 0.00 H +ATOM 14261 OW SOL 4230 43.790 13.270 19.420 1.00 0.00 O +ATOM 14262 HW1 SOL 4230 43.930 13.050 20.340 1.00 0.00 H +ATOM 14263 HW2 SOL 4230 43.030 13.850 19.410 1.00 0.00 H +ATOM 14264 OW SOL 4231 7.510 34.920 4.020 1.00 0.00 O +ATOM 14265 HW1 SOL 4231 8.190 35.320 4.560 1.00 0.00 H +ATOM 14266 HW2 SOL 4231 7.310 34.090 4.460 1.00 0.00 H +ATOM 14267 OW SOL 4232 37.740 23.380 24.560 1.00 0.00 O +ATOM 14268 HW1 SOL 4232 38.280 22.920 23.930 1.00 0.00 H +ATOM 14269 HW2 SOL 4232 37.900 24.310 24.400 1.00 0.00 H +ATOM 14270 OW SOL 4233 15.800 22.240 47.620 1.00 0.00 O +ATOM 14271 HW1 SOL 4233 15.780 21.470 47.040 1.00 0.00 H +ATOM 14272 HW2 SOL 4233 15.040 22.760 47.340 1.00 0.00 H +ATOM 14273 OW SOL 4234 24.850 10.220 2.070 1.00 0.00 O +ATOM 14274 HW1 SOL 4234 24.050 10.740 2.190 1.00 0.00 H +ATOM 14275 HW2 SOL 4234 25.200 10.500 1.230 1.00 0.00 H +ATOM 14276 OW SOL 4235 10.280 23.380 50.930 1.00 0.00 O +ATOM 14277 HW1 SOL 4235 10.170 24.120 50.340 1.00 0.00 H +ATOM 14278 HW2 SOL 4235 10.660 22.690 50.380 1.00 0.00 H +ATOM 14279 OW SOL 4236 12.440 15.560 0.950 1.00 0.00 O +ATOM 14280 HW1 SOL 4236 12.130 15.010 0.230 1.00 0.00 H +ATOM 14281 HW2 SOL 4236 13.190 15.090 1.310 1.00 0.00 H +ATOM 14282 OW SOL 4237 34.300 19.260 51.130 1.00 0.00 O +ATOM 14283 HW1 SOL 4237 34.710 19.890 51.720 1.00 0.00 H +ATOM 14284 HW2 SOL 4237 33.910 18.610 51.720 1.00 0.00 H +ATOM 14285 OW SOL 4238 57.190 34.480 12.750 1.00 0.00 O +ATOM 14286 HW1 SOL 4238 56.570 34.220 13.440 1.00 0.00 H +ATOM 14287 HW2 SOL 4238 57.140 35.430 12.730 1.00 0.00 H +ATOM 14288 OW SOL 4239 30.650 22.150 7.610 1.00 0.00 O +ATOM 14289 HW1 SOL 4239 30.690 22.570 6.750 1.00 0.00 H +ATOM 14290 HW2 SOL 4239 30.440 21.230 7.430 1.00 0.00 H +ATOM 14291 OW SOL 4240 31.010 6.150 4.180 1.00 0.00 O +ATOM 14292 HW1 SOL 4240 31.250 6.920 3.680 1.00 0.00 H +ATOM 14293 HW2 SOL 4240 31.040 5.430 3.560 1.00 0.00 H +ATOM 14294 OW SOL 4241 49.250 22.510 33.380 1.00 0.00 O +ATOM 14295 HW1 SOL 4241 50.190 22.690 33.340 1.00 0.00 H +ATOM 14296 HW2 SOL 4241 48.900 22.910 32.580 1.00 0.00 H +ATOM 14297 OW SOL 4242 35.300 47.970 13.960 1.00 0.00 O +ATOM 14298 HW1 SOL 4242 34.530 48.540 13.930 1.00 0.00 H +ATOM 14299 HW2 SOL 4242 35.960 48.430 13.440 1.00 0.00 H +ATOM 14300 OW SOL 4243 10.480 49.700 27.530 1.00 0.00 O +ATOM 14301 HW1 SOL 4243 9.900 49.660 28.290 1.00 0.00 H +ATOM 14302 HW2 SOL 4243 10.240 50.510 27.080 1.00 0.00 H +ATOM 14303 OW SOL 4244 5.740 32.890 51.160 1.00 0.00 O +ATOM 14304 HW1 SOL 4244 4.960 32.650 51.660 1.00 0.00 H +ATOM 14305 HW2 SOL 4244 6.460 32.830 51.790 1.00 0.00 H +ATOM 14306 OW SOL 4245 27.060 10.320 52.020 1.00 0.00 O +ATOM 14307 HW1 SOL 4245 27.660 10.070 52.720 1.00 0.00 H +ATOM 14308 HW2 SOL 4245 26.310 10.720 52.460 1.00 0.00 H +ATOM 14309 OW SOL 4246 7.230 8.550 7.060 1.00 0.00 O +ATOM 14310 HW1 SOL 4246 7.200 9.130 6.300 1.00 0.00 H +ATOM 14311 HW2 SOL 4246 6.480 8.810 7.590 1.00 0.00 H +ATOM 14312 OW SOL 4247 60.650 50.020 6.250 1.00 0.00 O +ATOM 14313 HW1 SOL 4247 61.050 50.480 5.510 1.00 0.00 H +ATOM 14314 HW2 SOL 4247 59.730 50.270 6.220 1.00 0.00 H +ATOM 14315 OW SOL 4248 29.890 37.730 7.250 1.00 0.00 O +ATOM 14316 HW1 SOL 4248 29.170 37.640 6.630 1.00 0.00 H +ATOM 14317 HW2 SOL 4248 30.220 36.840 7.370 1.00 0.00 H +ATOM 14318 OW SOL 4249 20.150 39.460 18.500 1.00 0.00 O +ATOM 14319 HW1 SOL 4249 20.440 40.370 18.510 1.00 0.00 H +ATOM 14320 HW2 SOL 4249 20.510 39.090 19.310 1.00 0.00 H +ATOM 14321 OW SOL 4250 40.940 23.380 11.720 1.00 0.00 O +ATOM 14322 HW1 SOL 4250 40.750 23.950 12.460 1.00 0.00 H +ATOM 14323 HW2 SOL 4250 40.110 22.980 11.500 1.00 0.00 H +ATOM 14324 OW SOL 4251 31.960 27.770 22.250 1.00 0.00 O +ATOM 14325 HW1 SOL 4251 31.750 26.870 22.520 1.00 0.00 H +ATOM 14326 HW2 SOL 4251 31.700 27.810 21.330 1.00 0.00 H +ATOM 14327 OW SOL 4252 46.480 51.570 2.430 1.00 0.00 O +ATOM 14328 HW1 SOL 4252 45.710 52.120 2.630 1.00 0.00 H +ATOM 14329 HW2 SOL 4252 47.110 52.190 2.050 1.00 0.00 H +ATOM 14330 OW SOL 4253 26.210 22.310 3.630 1.00 0.00 O +ATOM 14331 HW1 SOL 4253 26.320 22.090 4.550 1.00 0.00 H +ATOM 14332 HW2 SOL 4253 26.600 21.580 3.150 1.00 0.00 H +ATOM 14333 OW SOL 4254 34.480 15.120 13.570 1.00 0.00 O +ATOM 14334 HW1 SOL 4254 34.030 14.780 14.350 1.00 0.00 H +ATOM 14335 HW2 SOL 4254 33.860 15.740 13.180 1.00 0.00 H +ATOM 14336 OW SOL 4255 40.610 21.400 41.670 1.00 0.00 O +ATOM 14337 HW1 SOL 4255 39.790 21.620 41.230 1.00 0.00 H +ATOM 14338 HW2 SOL 4255 40.860 20.550 41.300 1.00 0.00 H +ATOM 14339 OW SOL 4256 52.270 7.800 26.520 1.00 0.00 O +ATOM 14340 HW1 SOL 4256 52.800 7.080 26.850 1.00 0.00 H +ATOM 14341 HW2 SOL 4256 51.370 7.480 26.550 1.00 0.00 H +ATOM 14342 OW SOL 4257 16.810 41.580 3.970 1.00 0.00 O +ATOM 14343 HW1 SOL 4257 16.220 40.980 3.530 1.00 0.00 H +ATOM 14344 HW2 SOL 4257 16.320 42.410 4.010 1.00 0.00 H +ATOM 14345 OW SOL 4258 41.110 28.690 38.560 1.00 0.00 O +ATOM 14346 HW1 SOL 4258 40.760 27.840 38.290 1.00 0.00 H +ATOM 14347 HW2 SOL 4258 41.950 28.480 38.970 1.00 0.00 H +ATOM 14348 OW SOL 4259 25.870 12.090 39.190 1.00 0.00 O +ATOM 14349 HW1 SOL 4259 26.100 11.360 39.770 1.00 0.00 H +ATOM 14350 HW2 SOL 4259 25.890 11.710 38.310 1.00 0.00 H +ATOM 14351 OW SOL 4260 44.870 18.910 25.100 1.00 0.00 O +ATOM 14352 HW1 SOL 4260 45.030 18.180 25.700 1.00 0.00 H +ATOM 14353 HW2 SOL 4260 45.330 18.660 24.300 1.00 0.00 H +ATOM 14354 OW SOL 4261 19.660 38.990 47.750 1.00 0.00 O +ATOM 14355 HW1 SOL 4261 20.150 38.830 48.560 1.00 0.00 H +ATOM 14356 HW2 SOL 4261 18.770 39.160 48.040 1.00 0.00 H +ATOM 14357 OW SOL 4262 14.450 33.480 5.560 1.00 0.00 O +ATOM 14358 HW1 SOL 4262 15.390 33.590 5.490 1.00 0.00 H +ATOM 14359 HW2 SOL 4262 14.100 34.370 5.630 1.00 0.00 H +ATOM 14360 OW SOL 4263 15.020 22.500 42.630 1.00 0.00 O +ATOM 14361 HW1 SOL 4263 14.630 22.850 41.830 1.00 0.00 H +ATOM 14362 HW2 SOL 4263 15.880 22.910 42.680 1.00 0.00 H +ATOM 14363 OW SOL 4264 43.240 1.400 8.220 1.00 0.00 O +ATOM 14364 HW1 SOL 4264 42.470 1.870 7.900 1.00 0.00 H +ATOM 14365 HW2 SOL 4264 42.880 0.690 8.750 1.00 0.00 H +ATOM 14366 OW SOL 4265 54.510 41.990 12.990 1.00 0.00 O +ATOM 14367 HW1 SOL 4265 53.810 42.580 12.710 1.00 0.00 H +ATOM 14368 HW2 SOL 4265 54.050 41.220 13.340 1.00 0.00 H +ATOM 14369 OW SOL 4266 9.730 0.760 32.640 1.00 0.00 O +ATOM 14370 HW1 SOL 4266 9.330 0.810 33.510 1.00 0.00 H +ATOM 14371 HW2 SOL 4266 9.630 1.650 32.280 1.00 0.00 H +ATOM 14372 OW SOL 4267 49.670 27.100 43.220 1.00 0.00 O +ATOM 14373 HW1 SOL 4267 49.670 26.250 43.660 1.00 0.00 H +ATOM 14374 HW2 SOL 4267 48.850 27.510 43.480 1.00 0.00 H +ATOM 14375 OW SOL 4268 61.070 9.720 41.210 1.00 0.00 O +ATOM 14376 HW1 SOL 4268 61.140 9.730 40.250 1.00 0.00 H +ATOM 14377 HW2 SOL 4268 61.010 10.650 41.450 1.00 0.00 H +ATOM 14378 OW SOL 4269 2.330 30.460 31.530 1.00 0.00 O +ATOM 14379 HW1 SOL 4269 3.080 29.950 31.830 1.00 0.00 H +ATOM 14380 HW2 SOL 4269 1.760 29.830 31.090 1.00 0.00 H +ATOM 14381 OW SOL 4270 43.560 28.640 49.030 1.00 0.00 O +ATOM 14382 HW1 SOL 4270 42.930 28.950 48.380 1.00 0.00 H +ATOM 14383 HW2 SOL 4270 43.770 27.750 48.750 1.00 0.00 H +ATOM 14384 OW SOL 4271 15.080 12.140 41.710 1.00 0.00 O +ATOM 14385 HW1 SOL 4271 16.000 12.240 41.950 1.00 0.00 H +ATOM 14386 HW2 SOL 4271 15.100 11.880 40.790 1.00 0.00 H +ATOM 14387 OW SOL 4272 38.330 17.010 47.680 1.00 0.00 O +ATOM 14388 HW1 SOL 4272 38.170 16.330 47.020 1.00 0.00 H +ATOM 14389 HW2 SOL 4272 37.580 17.610 47.590 1.00 0.00 H +ATOM 14390 OW SOL 4273 7.760 50.730 35.220 1.00 0.00 O +ATOM 14391 HW1 SOL 4273 8.660 50.970 35.000 1.00 0.00 H +ATOM 14392 HW2 SOL 4273 7.480 50.170 34.490 1.00 0.00 H +ATOM 14393 OW SOL 4274 47.770 41.210 8.850 1.00 0.00 O +ATOM 14394 HW1 SOL 4274 47.980 40.340 8.520 1.00 0.00 H +ATOM 14395 HW2 SOL 4274 46.850 41.340 8.620 1.00 0.00 H +ATOM 14396 OW SOL 4275 24.400 16.420 41.160 1.00 0.00 O +ATOM 14397 HW1 SOL 4275 24.170 15.590 40.750 1.00 0.00 H +ATOM 14398 HW2 SOL 4275 23.590 16.710 41.590 1.00 0.00 H +ATOM 14399 OW SOL 4276 14.740 45.060 44.730 1.00 0.00 O +ATOM 14400 HW1 SOL 4276 15.350 44.690 44.100 1.00 0.00 H +ATOM 14401 HW2 SOL 4276 15.220 45.060 45.560 1.00 0.00 H +ATOM 14402 OW SOL 4277 3.600 57.560 15.550 1.00 0.00 O +ATOM 14403 HW1 SOL 4277 4.180 58.130 16.060 1.00 0.00 H +ATOM 14404 HW2 SOL 4277 2.720 57.810 15.820 1.00 0.00 H +ATOM 14405 OW SOL 4278 4.890 38.040 6.600 1.00 0.00 O +ATOM 14406 HW1 SOL 4278 4.520 37.190 6.360 1.00 0.00 H +ATOM 14407 HW2 SOL 4278 5.680 38.120 6.070 1.00 0.00 H +ATOM 14408 OW SOL 4279 21.420 24.830 40.490 1.00 0.00 O +ATOM 14409 HW1 SOL 4279 21.270 24.390 41.330 1.00 0.00 H +ATOM 14410 HW2 SOL 4279 21.030 24.240 39.840 1.00 0.00 H +ATOM 14411 OW SOL 4280 3.660 9.570 0.530 1.00 0.00 O +ATOM 14412 HW1 SOL 4280 3.560 8.750 1.010 1.00 0.00 H +ATOM 14413 HW2 SOL 4280 3.490 9.340 -0.380 1.00 0.00 H +ATOM 14414 OW SOL 4281 55.400 18.180 8.460 1.00 0.00 O +ATOM 14415 HW1 SOL 4281 54.630 17.620 8.490 1.00 0.00 H +ATOM 14416 HW2 SOL 4281 56.130 17.580 8.290 1.00 0.00 H +ATOM 14417 OW SOL 4282 7.800 61.080 49.840 1.00 0.00 O +ATOM 14418 HW1 SOL 4282 8.620 60.920 50.320 1.00 0.00 H +ATOM 14419 HW2 SOL 4282 7.160 60.510 50.260 1.00 0.00 H +ATOM 14420 OW SOL 4283 27.630 24.760 31.180 1.00 0.00 O +ATOM 14421 HW1 SOL 4283 27.840 24.500 30.290 1.00 0.00 H +ATOM 14422 HW2 SOL 4283 27.410 23.950 31.630 1.00 0.00 H +ATOM 14423 OW SOL 4284 47.710 40.620 44.810 1.00 0.00 O +ATOM 14424 HW1 SOL 4284 47.070 39.910 44.710 1.00 0.00 H +ATOM 14425 HW2 SOL 4284 47.350 41.340 44.290 1.00 0.00 H +ATOM 14426 OW SOL 4285 13.220 6.550 29.300 1.00 0.00 O +ATOM 14427 HW1 SOL 4285 13.100 6.910 30.180 1.00 0.00 H +ATOM 14428 HW2 SOL 4285 13.930 7.060 28.920 1.00 0.00 H +ATOM 14429 OW SOL 4286 52.300 13.730 32.440 1.00 0.00 O +ATOM 14430 HW1 SOL 4286 52.910 13.340 31.810 1.00 0.00 H +ATOM 14431 HW2 SOL 4286 52.830 13.900 33.220 1.00 0.00 H +ATOM 14432 OW SOL 4287 49.090 42.030 49.290 1.00 0.00 O +ATOM 14433 HW1 SOL 4287 49.980 42.260 49.580 1.00 0.00 H +ATOM 14434 HW2 SOL 4287 49.120 42.160 48.340 1.00 0.00 H +ATOM 14435 OW SOL 4288 52.160 56.650 28.270 1.00 0.00 O +ATOM 14436 HW1 SOL 4288 52.650 55.870 28.030 1.00 0.00 H +ATOM 14437 HW2 SOL 4288 52.110 56.620 29.230 1.00 0.00 H +ATOM 14438 OW SOL 4289 26.750 31.090 39.760 1.00 0.00 O +ATOM 14439 HW1 SOL 4289 27.550 31.020 40.290 1.00 0.00 H +ATOM 14440 HW2 SOL 4289 26.630 32.020 39.620 1.00 0.00 H +ATOM 14441 OW SOL 4290 1.490 57.610 35.620 1.00 0.00 O +ATOM 14442 HW1 SOL 4290 1.590 58.070 36.460 1.00 0.00 H +ATOM 14443 HW2 SOL 4290 1.870 56.740 35.780 1.00 0.00 H +ATOM 14444 OW SOL 4291 6.550 27.760 37.490 1.00 0.00 O +ATOM 14445 HW1 SOL 4291 6.880 27.090 36.890 1.00 0.00 H +ATOM 14446 HW2 SOL 4291 6.510 28.560 36.970 1.00 0.00 H +ATOM 14447 OW SOL 4292 1.590 54.550 47.120 1.00 0.00 O +ATOM 14448 HW1 SOL 4292 1.120 54.120 46.400 1.00 0.00 H +ATOM 14449 HW2 SOL 4292 1.030 55.290 47.350 1.00 0.00 H +ATOM 14450 OW SOL 4293 56.140 30.280 17.580 1.00 0.00 O +ATOM 14451 HW1 SOL 4293 55.370 30.580 18.060 1.00 0.00 H +ATOM 14452 HW2 SOL 4293 55.820 30.100 16.690 1.00 0.00 H +ATOM 14453 OW SOL 4294 63.750 46.560 35.160 1.00 0.00 O +ATOM 14454 HW1 SOL 4294 64.330 46.650 34.400 1.00 0.00 H +ATOM 14455 HW2 SOL 4294 62.920 46.270 34.780 1.00 0.00 H +ATOM 14456 OW SOL 4295 16.440 31.990 27.000 1.00 0.00 O +ATOM 14457 HW1 SOL 4295 16.710 32.790 27.450 1.00 0.00 H +ATOM 14458 HW2 SOL 4295 17.100 31.340 27.240 1.00 0.00 H +ATOM 14459 OW SOL 4296 31.020 4.340 1.760 1.00 0.00 O +ATOM 14460 HW1 SOL 4296 30.730 4.800 0.980 1.00 0.00 H +ATOM 14461 HW2 SOL 4296 31.970 4.280 1.660 1.00 0.00 H +ATOM 14462 OW SOL 4297 7.450 46.300 24.470 1.00 0.00 O +ATOM 14463 HW1 SOL 4297 6.700 46.810 24.770 1.00 0.00 H +ATOM 14464 HW2 SOL 4297 8.210 46.820 24.690 1.00 0.00 H +ATOM 14465 OW SOL 4298 64.490 21.100 13.960 1.00 0.00 O +ATOM 14466 HW1 SOL 4298 64.760 20.630 13.170 1.00 0.00 H +ATOM 14467 HW2 SOL 4298 63.590 20.820 14.100 1.00 0.00 H +ATOM 14468 OW SOL 4299 19.930 1.110 44.080 1.00 0.00 O +ATOM 14469 HW1 SOL 4299 20.370 1.960 43.970 1.00 0.00 H +ATOM 14470 HW2 SOL 4299 19.400 1.020 43.290 1.00 0.00 H +ATOM 14471 OW SOL 4300 23.840 1.330 32.130 1.00 0.00 O +ATOM 14472 HW1 SOL 4300 23.110 0.750 31.910 1.00 0.00 H +ATOM 14473 HW2 SOL 4300 23.540 2.210 31.900 1.00 0.00 H +ATOM 14474 OW SOL 4301 30.590 44.200 52.710 1.00 0.00 O +ATOM 14475 HW1 SOL 4301 29.680 44.210 52.440 1.00 0.00 H +ATOM 14476 HW2 SOL 4301 31.040 44.750 52.070 1.00 0.00 H +ATOM 14477 OW SOL 4302 60.710 21.470 6.970 1.00 0.00 O +ATOM 14478 HW1 SOL 4302 60.290 22.250 6.610 1.00 0.00 H +ATOM 14479 HW2 SOL 4302 61.310 21.180 6.290 1.00 0.00 H +ATOM 14480 OW SOL 4303 20.260 10.720 52.260 1.00 0.00 O +ATOM 14481 HW1 SOL 4303 20.100 11.040 53.140 1.00 0.00 H +ATOM 14482 HW2 SOL 4303 19.700 9.950 52.180 1.00 0.00 H +ATOM 14483 OW SOL 4304 47.030 52.700 52.170 1.00 0.00 O +ATOM 14484 HW1 SOL 4304 47.860 52.750 51.680 1.00 0.00 H +ATOM 14485 HW2 SOL 4304 46.940 51.780 52.390 1.00 0.00 H +ATOM 14486 OW SOL 4305 7.550 55.040 16.220 1.00 0.00 O +ATOM 14487 HW1 SOL 4305 6.740 55.000 16.740 1.00 0.00 H +ATOM 14488 HW2 SOL 4305 7.930 55.900 16.420 1.00 0.00 H +ATOM 14489 OW SOL 4306 25.860 28.960 45.580 1.00 0.00 O +ATOM 14490 HW1 SOL 4306 25.350 28.180 45.360 1.00 0.00 H +ATOM 14491 HW2 SOL 4306 25.590 29.620 44.940 1.00 0.00 H +ATOM 14492 OW SOL 4307 50.480 12.990 47.810 1.00 0.00 O +ATOM 14493 HW1 SOL 4307 50.250 12.070 47.940 1.00 0.00 H +ATOM 14494 HW2 SOL 4307 49.960 13.450 48.460 1.00 0.00 H +ATOM 14495 OW SOL 4308 46.600 15.200 46.410 1.00 0.00 O +ATOM 14496 HW1 SOL 4308 46.840 14.310 46.150 1.00 0.00 H +ATOM 14497 HW2 SOL 4308 46.490 15.670 45.590 1.00 0.00 H +ATOM 14498 OW SOL 4309 41.900 11.650 11.530 1.00 0.00 O +ATOM 14499 HW1 SOL 4309 41.940 11.170 10.710 1.00 0.00 H +ATOM 14500 HW2 SOL 4309 42.750 12.080 11.610 1.00 0.00 H +ATOM 14501 OW SOL 4310 4.650 35.440 5.190 1.00 0.00 O +ATOM 14502 HW1 SOL 4310 4.730 35.030 4.330 1.00 0.00 H +ATOM 14503 HW2 SOL 4310 3.760 35.230 5.480 1.00 0.00 H +ATOM 14504 OW SOL 4311 13.090 15.760 19.910 1.00 0.00 O +ATOM 14505 HW1 SOL 4311 12.570 16.280 19.290 1.00 0.00 H +ATOM 14506 HW2 SOL 4311 12.520 15.020 20.140 1.00 0.00 H +ATOM 14507 OW SOL 4312 8.130 37.020 25.330 1.00 0.00 O +ATOM 14508 HW1 SOL 4312 8.940 36.990 24.810 1.00 0.00 H +ATOM 14509 HW2 SOL 4312 8.170 36.230 25.870 1.00 0.00 H +ATOM 14510 OW SOL 4313 55.320 11.710 53.520 1.00 0.00 O +ATOM 14511 HW1 SOL 4313 56.230 11.620 53.260 1.00 0.00 H +ATOM 14512 HW2 SOL 4313 54.920 12.210 52.810 1.00 0.00 H +ATOM 14513 OW SOL 4314 52.310 21.980 45.280 1.00 0.00 O +ATOM 14514 HW1 SOL 4314 51.570 21.380 45.160 1.00 0.00 H +ATOM 14515 HW2 SOL 4314 52.690 22.070 44.410 1.00 0.00 H +ATOM 14516 OW SOL 4315 44.600 20.470 46.520 1.00 0.00 O +ATOM 14517 HW1 SOL 4315 43.970 20.820 45.890 1.00 0.00 H +ATOM 14518 HW2 SOL 4315 45.270 21.150 46.590 1.00 0.00 H +ATOM 14519 OW SOL 4316 24.350 17.180 44.280 1.00 0.00 O +ATOM 14520 HW1 SOL 4316 23.440 17.020 44.530 1.00 0.00 H +ATOM 14521 HW2 SOL 4316 24.800 16.350 44.430 1.00 0.00 H +ATOM 14522 OW SOL 4317 9.180 28.920 28.620 1.00 0.00 O +ATOM 14523 HW1 SOL 4317 8.710 29.510 29.210 1.00 0.00 H +ATOM 14524 HW2 SOL 4317 8.500 28.330 28.290 1.00 0.00 H +ATOM 14525 OW SOL 4318 65.370 16.670 6.210 1.00 0.00 O +ATOM 14526 HW1 SOL 4318 64.480 17.020 6.260 1.00 0.00 H +ATOM 14527 HW2 SOL 4318 65.580 16.430 7.110 1.00 0.00 H +ATOM 14528 OW SOL 4319 49.300 55.950 17.110 1.00 0.00 O +ATOM 14529 HW1 SOL 4319 49.850 56.170 17.860 1.00 0.00 H +ATOM 14530 HW2 SOL 4319 49.110 55.020 17.220 1.00 0.00 H +ATOM 14531 OW SOL 4320 47.750 15.940 19.140 1.00 0.00 O +ATOM 14532 HW1 SOL 4320 47.220 15.260 18.730 1.00 0.00 H +ATOM 14533 HW2 SOL 4320 47.960 15.590 20.010 1.00 0.00 H +ATOM 14534 OW SOL 4321 0.205 29.500 48.050 1.00 0.00 O +ATOM 14535 HW1 SOL 4321 -0.615 29.450 48.540 1.00 0.00 H +ATOM 14536 HW2 SOL 4321 -0.065 29.590 47.140 1.00 0.00 H +ATOM 14537 OW SOL 4322 45.790 9.870 4.540 1.00 0.00 O +ATOM 14538 HW1 SOL 4322 46.720 9.780 4.750 1.00 0.00 H +ATOM 14539 HW2 SOL 4322 45.610 9.150 3.940 1.00 0.00 H +ATOM 14540 OW SOL 4323 29.750 8.460 45.080 1.00 0.00 O +ATOM 14541 HW1 SOL 4323 29.160 8.470 45.830 1.00 0.00 H +ATOM 14542 HW2 SOL 4323 30.480 9.030 45.330 1.00 0.00 H +ATOM 14543 OW SOL 4324 63.030 23.040 11.600 1.00 0.00 O +ATOM 14544 HW1 SOL 4324 63.740 22.960 12.230 1.00 0.00 H +ATOM 14545 HW2 SOL 4324 62.620 23.880 11.800 1.00 0.00 H +ATOM 14546 OW SOL 4325 52.160 8.480 48.940 1.00 0.00 O +ATOM 14547 HW1 SOL 4325 52.290 8.000 48.120 1.00 0.00 H +ATOM 14548 HW2 SOL 4325 53.020 8.850 49.140 1.00 0.00 H +ATOM 14549 OW SOL 4326 22.240 7.150 39.020 1.00 0.00 O +ATOM 14550 HW1 SOL 4326 22.130 7.880 38.420 1.00 0.00 H +ATOM 14551 HW2 SOL 4326 23.150 6.870 38.910 1.00 0.00 H +ATOM 14552 OW SOL 4327 36.330 51.930 50.440 1.00 0.00 O +ATOM 14553 HW1 SOL 4327 36.750 52.680 50.020 1.00 0.00 H +ATOM 14554 HW2 SOL 4327 35.600 52.310 50.940 1.00 0.00 H +ATOM 14555 OW SOL 4328 28.040 23.100 8.240 1.00 0.00 O +ATOM 14556 HW1 SOL 4328 28.480 23.850 7.850 1.00 0.00 H +ATOM 14557 HW2 SOL 4328 28.740 22.470 8.420 1.00 0.00 H +ATOM 14558 OW SOL 4329 4.960 35.070 2.400 1.00 0.00 O +ATOM 14559 HW1 SOL 4329 5.710 34.960 2.990 1.00 0.00 H +ATOM 14560 HW2 SOL 4329 5.350 35.120 1.530 1.00 0.00 H +ATOM 14561 OW SOL 4330 1.080 43.810 43.550 1.00 0.00 O +ATOM 14562 HW1 SOL 4330 2.020 43.890 43.710 1.00 0.00 H +ATOM 14563 HW2 SOL 4330 0.900 42.880 43.700 1.00 0.00 H +ATOM 14564 OW SOL 4331 29.110 20.120 9.870 1.00 0.00 O +ATOM 14565 HW1 SOL 4331 29.470 19.260 9.670 1.00 0.00 H +ATOM 14566 HW2 SOL 4331 28.710 20.020 10.740 1.00 0.00 H +ATOM 14567 OW SOL 4332 1.600 45.630 0.750 1.00 0.00 O +ATOM 14568 HW1 SOL 4332 0.910 46.150 1.160 1.00 0.00 H +ATOM 14569 HW2 SOL 4332 1.660 44.850 1.290 1.00 0.00 H +ATOM 14570 OW SOL 4333 8.100 39.670 38.400 1.00 0.00 O +ATOM 14571 HW1 SOL 4333 8.710 40.000 39.060 1.00 0.00 H +ATOM 14572 HW2 SOL 4333 8.060 40.380 37.750 1.00 0.00 H +ATOM 14573 OW SOL 4334 53.750 60.380 42.490 1.00 0.00 O +ATOM 14574 HW1 SOL 4334 54.240 60.620 43.280 1.00 0.00 H +ATOM 14575 HW2 SOL 4334 54.410 59.990 41.910 1.00 0.00 H +ATOM 14576 OW SOL 4335 12.910 0.760 4.800 1.00 0.00 O +ATOM 14577 HW1 SOL 4335 12.330 0.100 5.170 1.00 0.00 H +ATOM 14578 HW2 SOL 4335 12.440 1.590 4.910 1.00 0.00 H +ATOM 14579 OW SOL 4336 39.240 22.160 22.480 1.00 0.00 O +ATOM 14580 HW1 SOL 4336 39.610 21.300 22.660 1.00 0.00 H +ATOM 14581 HW2 SOL 4336 38.540 22.000 21.850 1.00 0.00 H +ATOM 14582 OW SOL 4337 2.220 39.650 36.190 1.00 0.00 O +ATOM 14583 HW1 SOL 4337 2.170 38.740 36.450 1.00 0.00 H +ATOM 14584 HW2 SOL 4337 2.570 40.110 36.960 1.00 0.00 H +ATOM 14585 OW SOL 4338 56.780 61.190 2.870 1.00 0.00 O +ATOM 14586 HW1 SOL 4338 57.330 61.170 3.650 1.00 0.00 H +ATOM 14587 HW2 SOL 4338 57.320 60.800 2.190 1.00 0.00 H +ATOM 14588 OW SOL 4339 46.920 50.930 28.820 1.00 0.00 O +ATOM 14589 HW1 SOL 4339 47.710 51.330 28.480 1.00 0.00 H +ATOM 14590 HW2 SOL 4339 47.120 49.990 28.850 1.00 0.00 H +ATOM 14591 OW SOL 4340 0.610 4.970 20.500 1.00 0.00 O +ATOM 14592 HW1 SOL 4340 0.960 5.170 19.640 1.00 0.00 H +ATOM 14593 HW2 SOL 4340 0.270 5.800 20.830 1.00 0.00 H +ATOM 14594 OW SOL 4341 50.790 5.990 50.230 1.00 0.00 O +ATOM 14595 HW1 SOL 4341 49.840 5.900 50.200 1.00 0.00 H +ATOM 14596 HW2 SOL 4341 50.950 6.930 50.220 1.00 0.00 H +ATOM 14597 OW SOL 4342 42.420 36.000 42.280 1.00 0.00 O +ATOM 14598 HW1 SOL 4342 41.670 36.590 42.340 1.00 0.00 H +ATOM 14599 HW2 SOL 4342 42.930 36.350 41.540 1.00 0.00 H +ATOM 14600 OW SOL 4343 37.300 55.920 46.400 1.00 0.00 O +ATOM 14601 HW1 SOL 4343 36.620 56.560 46.170 1.00 0.00 H +ATOM 14602 HW2 SOL 4343 37.820 56.350 47.080 1.00 0.00 H +ATOM 14603 OW SOL 4344 0.230 38.090 38.170 1.00 0.00 O +ATOM 14604 HW1 SOL 4344 0.900 38.520 38.700 1.00 0.00 H +ATOM 14605 HW2 SOL 4344 -0.600 38.480 38.470 1.00 0.00 H +ATOM 14606 OW SOL 4345 52.120 2.870 45.410 1.00 0.00 O +ATOM 14607 HW1 SOL 4345 51.310 2.370 45.320 1.00 0.00 H +ATOM 14608 HW2 SOL 4345 52.120 3.160 46.320 1.00 0.00 H +ATOM 14609 OW SOL 4346 35.140 25.420 37.120 1.00 0.00 O +ATOM 14610 HW1 SOL 4346 35.130 25.720 38.030 1.00 0.00 H +ATOM 14611 HW2 SOL 4346 34.240 25.540 36.820 1.00 0.00 H +ATOM 14612 OW SOL 4347 1.120 38.280 48.600 1.00 0.00 O +ATOM 14613 HW1 SOL 4347 1.650 39.080 48.620 1.00 0.00 H +ATOM 14614 HW2 SOL 4347 0.220 38.590 48.520 1.00 0.00 H +ATOM 14615 OW SOL 4348 52.100 39.190 15.600 1.00 0.00 O +ATOM 14616 HW1 SOL 4348 52.050 38.310 15.970 1.00 0.00 H +ATOM 14617 HW2 SOL 4348 51.860 39.090 14.680 1.00 0.00 H +ATOM 14618 OW SOL 4349 55.670 0.490 9.480 1.00 0.00 O +ATOM 14619 HW1 SOL 4349 56.460 0.620 10.010 1.00 0.00 H +ATOM 14620 HW2 SOL 4349 55.170 1.300 9.600 1.00 0.00 H +ATOM 14621 OW SOL 4350 10.340 49.560 33.040 1.00 0.00 O +ATOM 14622 HW1 SOL 4350 11.090 49.890 32.540 1.00 0.00 H +ATOM 14623 HW2 SOL 4350 10.190 50.230 33.710 1.00 0.00 H +ATOM 14624 OW SOL 4351 24.770 46.360 0.640 1.00 0.00 O +ATOM 14625 HW1 SOL 4351 25.240 46.570 -0.170 1.00 0.00 H +ATOM 14626 HW2 SOL 4351 25.440 46.030 1.230 1.00 0.00 H +ATOM 14627 OW SOL 4352 30.670 2.180 29.740 1.00 0.00 O +ATOM 14628 HW1 SOL 4352 30.250 1.570 29.140 1.00 0.00 H +ATOM 14629 HW2 SOL 4352 30.430 3.050 29.410 1.00 0.00 H +ATOM 14630 OW SOL 4353 49.840 7.090 27.610 1.00 0.00 O +ATOM 14631 HW1 SOL 4353 49.650 6.280 28.090 1.00 0.00 H +ATOM 14632 HW2 SOL 4353 49.680 7.780 28.250 1.00 0.00 H +ATOM 14633 OW SOL 4354 64.890 14.450 29.520 1.00 0.00 O +ATOM 14634 HW1 SOL 4354 64.030 14.020 29.530 1.00 0.00 H +ATOM 14635 HW2 SOL 4354 65.270 14.230 28.670 1.00 0.00 H +ATOM 14636 OW SOL 4355 4.700 9.320 7.940 1.00 0.00 O +ATOM 14637 HW1 SOL 4355 3.840 9.730 7.840 1.00 0.00 H +ATOM 14638 HW2 SOL 4355 4.520 8.380 7.880 1.00 0.00 H +ATOM 14639 OW SOL 4356 57.200 23.740 8.640 1.00 0.00 O +ATOM 14640 HW1 SOL 4356 57.500 22.880 8.340 1.00 0.00 H +ATOM 14641 HW2 SOL 4356 57.730 23.910 9.420 1.00 0.00 H +ATOM 14642 OW SOL 4357 53.200 58.700 12.720 1.00 0.00 O +ATOM 14643 HW1 SOL 4357 54.130 58.490 12.750 1.00 0.00 H +ATOM 14644 HW2 SOL 4357 53.150 59.510 12.220 1.00 0.00 H +ATOM 14645 OW SOL 4358 4.260 13.270 13.920 1.00 0.00 O +ATOM 14646 HW1 SOL 4358 3.870 12.600 14.480 1.00 0.00 H +ATOM 14647 HW2 SOL 4358 3.660 14.010 13.970 1.00 0.00 H +ATOM 14648 OW SOL 4359 11.360 43.850 17.960 1.00 0.00 O +ATOM 14649 HW1 SOL 4359 12.260 43.870 17.650 1.00 0.00 H +ATOM 14650 HW2 SOL 4359 10.960 44.630 17.560 1.00 0.00 H +ATOM 14651 OW SOL 4360 25.390 58.990 34.870 1.00 0.00 O +ATOM 14652 HW1 SOL 4360 24.550 58.760 34.470 1.00 0.00 H +ATOM 14653 HW2 SOL 4360 25.630 59.830 34.460 1.00 0.00 H +ATOM 14654 OW SOL 4361 64.960 46.180 37.370 1.00 0.00 O +ATOM 14655 HW1 SOL 4361 65.460 46.970 37.590 1.00 0.00 H +ATOM 14656 HW2 SOL 4361 64.580 46.380 36.510 1.00 0.00 H +ATOM 14657 OW SOL 4362 6.970 31.800 18.570 1.00 0.00 O +ATOM 14658 HW1 SOL 4362 7.530 32.380 18.060 1.00 0.00 H +ATOM 14659 HW2 SOL 4362 7.320 31.850 19.460 1.00 0.00 H +ATOM 14660 OW SOL 4363 53.430 9.090 38.610 1.00 0.00 O +ATOM 14661 HW1 SOL 4363 54.360 9.190 38.420 1.00 0.00 H +ATOM 14662 HW2 SOL 4363 53.050 8.790 37.780 1.00 0.00 H +ATOM 14663 OW SOL 4364 10.960 22.390 45.900 1.00 0.00 O +ATOM 14664 HW1 SOL 4364 11.890 22.620 45.880 1.00 0.00 H +ATOM 14665 HW2 SOL 4364 10.950 21.480 46.190 1.00 0.00 H +ATOM 14666 OW SOL 4365 29.450 44.790 45.520 1.00 0.00 O +ATOM 14667 HW1 SOL 4365 29.250 43.900 45.820 1.00 0.00 H +ATOM 14668 HW2 SOL 4365 29.320 45.340 46.290 1.00 0.00 H +ATOM 14669 OW SOL 4366 26.340 17.230 48.050 1.00 0.00 O +ATOM 14670 HW1 SOL 4366 25.580 17.660 47.650 1.00 0.00 H +ATOM 14671 HW2 SOL 4366 26.550 16.520 47.450 1.00 0.00 H +ATOM 14672 OW SOL 4367 13.600 42.620 31.160 1.00 0.00 O +ATOM 14673 HW1 SOL 4367 13.320 42.020 31.850 1.00 0.00 H +ATOM 14674 HW2 SOL 4367 13.210 42.270 30.360 1.00 0.00 H +ATOM 14675 OW SOL 4368 40.740 25.050 2.570 1.00 0.00 O +ATOM 14676 HW1 SOL 4368 40.990 25.080 1.650 1.00 0.00 H +ATOM 14677 HW2 SOL 4368 40.590 24.120 2.740 1.00 0.00 H +ATOM 14678 OW SOL 4369 5.500 43.060 35.980 1.00 0.00 O +ATOM 14679 HW1 SOL 4369 4.790 43.690 36.090 1.00 0.00 H +ATOM 14680 HW2 SOL 4369 6.150 43.320 36.630 1.00 0.00 H +ATOM 14681 OW SOL 4370 4.680 14.230 0.340 1.00 0.00 O +ATOM 14682 HW1 SOL 4370 4.720 13.640 1.090 1.00 0.00 H +ATOM 14683 HW2 SOL 4370 5.520 14.110 -0.110 1.00 0.00 H +ATOM 14684 OW SOL 4371 5.250 44.260 40.870 1.00 0.00 O +ATOM 14685 HW1 SOL 4371 5.840 44.330 41.620 1.00 0.00 H +ATOM 14686 HW2 SOL 4371 4.760 43.450 41.020 1.00 0.00 H +ATOM 14687 OW SOL 4372 34.010 46.420 1.440 1.00 0.00 O +ATOM 14688 HW1 SOL 4372 34.580 47.170 1.620 1.00 0.00 H +ATOM 14689 HW2 SOL 4372 34.530 45.860 0.870 1.00 0.00 H +ATOM 14690 OW SOL 4373 27.600 49.820 6.350 1.00 0.00 O +ATOM 14691 HW1 SOL 4373 28.480 49.520 6.590 1.00 0.00 H +ATOM 14692 HW2 SOL 4373 27.700 50.770 6.240 1.00 0.00 H +ATOM 14693 OW SOL 4374 60.100 1.330 46.410 1.00 0.00 O +ATOM 14694 HW1 SOL 4374 60.980 1.670 46.570 1.00 0.00 H +ATOM 14695 HW2 SOL 4374 60.050 1.230 45.460 1.00 0.00 H +ATOM 14696 OW SOL 4375 58.130 50.130 10.920 1.00 0.00 O +ATOM 14697 HW1 SOL 4375 57.700 50.590 10.210 1.00 0.00 H +ATOM 14698 HW2 SOL 4375 58.910 49.750 10.530 1.00 0.00 H +ATOM 14699 OW SOL 4376 17.390 45.620 10.060 1.00 0.00 O +ATOM 14700 HW1 SOL 4376 18.040 45.070 9.620 1.00 0.00 H +ATOM 14701 HW2 SOL 4376 17.200 45.160 10.880 1.00 0.00 H +ATOM 14702 OW SOL 4377 29.070 15.660 32.990 1.00 0.00 O +ATOM 14703 HW1 SOL 4377 28.910 14.850 32.500 1.00 0.00 H +ATOM 14704 HW2 SOL 4377 29.540 16.220 32.390 1.00 0.00 H +ATOM 14705 OW SOL 4378 60.340 20.630 45.700 1.00 0.00 O +ATOM 14706 HW1 SOL 4378 59.910 20.980 46.480 1.00 0.00 H +ATOM 14707 HW2 SOL 4378 59.860 19.820 45.510 1.00 0.00 H +ATOM 14708 OW SOL 4379 20.370 10.500 20.220 1.00 0.00 O +ATOM 14709 HW1 SOL 4379 20.260 11.220 19.590 1.00 0.00 H +ATOM 14710 HW2 SOL 4379 20.120 10.880 21.060 1.00 0.00 H +ATOM 14711 OW SOL 4380 13.350 56.010 12.470 1.00 0.00 O +ATOM 14712 HW1 SOL 4380 13.450 56.040 13.420 1.00 0.00 H +ATOM 14713 HW2 SOL 4380 13.670 56.870 12.170 1.00 0.00 H +ATOM 14714 OW SOL 4381 31.360 33.160 5.460 1.00 0.00 O +ATOM 14715 HW1 SOL 4381 31.270 33.230 4.510 1.00 0.00 H +ATOM 14716 HW2 SOL 4381 31.750 32.300 5.600 1.00 0.00 H +ATOM 14717 OW SOL 4382 20.450 35.730 2.460 1.00 0.00 O +ATOM 14718 HW1 SOL 4382 19.930 36.520 2.580 1.00 0.00 H +ATOM 14719 HW2 SOL 4382 20.390 35.530 1.530 1.00 0.00 H +ATOM 14720 OW SOL 4383 3.880 52.760 24.370 1.00 0.00 O +ATOM 14721 HW1 SOL 4383 4.790 52.580 24.620 1.00 0.00 H +ATOM 14722 HW2 SOL 4383 3.720 53.660 24.650 1.00 0.00 H +ATOM 14723 OW SOL 4384 21.330 40.600 46.460 1.00 0.00 O +ATOM 14724 HW1 SOL 4384 21.490 40.110 45.650 1.00 0.00 H +ATOM 14725 HW2 SOL 4384 20.840 39.990 47.010 1.00 0.00 H +ATOM 14726 OW SOL 4385 43.130 39.760 12.210 1.00 0.00 O +ATOM 14727 HW1 SOL 4385 42.590 38.980 12.060 1.00 0.00 H +ATOM 14728 HW2 SOL 4385 43.120 39.890 13.160 1.00 0.00 H +ATOM 14729 OW SOL 4386 18.390 35.260 16.950 1.00 0.00 O +ATOM 14730 HW1 SOL 4386 19.060 35.840 16.580 1.00 0.00 H +ATOM 14731 HW2 SOL 4386 17.610 35.450 16.430 1.00 0.00 H +ATOM 14732 OW SOL 4387 6.730 19.350 51.190 1.00 0.00 O +ATOM 14733 HW1 SOL 4387 6.890 20.130 50.660 1.00 0.00 H +ATOM 14734 HW2 SOL 4387 5.800 19.150 51.060 1.00 0.00 H +ATOM 14735 OW SOL 4388 51.550 12.120 22.740 1.00 0.00 O +ATOM 14736 HW1 SOL 4388 52.020 11.650 22.050 1.00 0.00 H +ATOM 14737 HW2 SOL 4388 51.950 12.990 22.760 1.00 0.00 H +ATOM 14738 OW SOL 4389 7.420 2.160 20.340 1.00 0.00 O +ATOM 14739 HW1 SOL 4389 7.240 2.700 19.570 1.00 0.00 H +ATOM 14740 HW2 SOL 4389 8.370 2.200 20.450 1.00 0.00 H +ATOM 14741 OW SOL 4390 62.250 35.800 28.160 1.00 0.00 O +ATOM 14742 HW1 SOL 4390 62.070 35.250 28.930 1.00 0.00 H +ATOM 14743 HW2 SOL 4390 62.280 35.180 27.430 1.00 0.00 H +ATOM 14744 OW SOL 4391 9.830 60.970 4.800 1.00 0.00 O +ATOM 14745 HW1 SOL 4391 10.120 61.330 5.640 1.00 0.00 H +ATOM 14746 HW2 SOL 4391 10.540 60.380 4.530 1.00 0.00 H +ATOM 14747 OW SOL 4392 22.700 15.490 19.120 1.00 0.00 O +ATOM 14748 HW1 SOL 4392 22.000 15.920 18.610 1.00 0.00 H +ATOM 14749 HW2 SOL 4392 22.370 14.610 19.280 1.00 0.00 H +ATOM 14750 OW SOL 4393 3.140 40.750 46.160 1.00 0.00 O +ATOM 14751 HW1 SOL 4393 3.270 40.480 45.260 1.00 0.00 H +ATOM 14752 HW2 SOL 4393 3.320 39.970 46.680 1.00 0.00 H +ATOM 14753 OW SOL 4394 18.680 52.520 33.360 1.00 0.00 O +ATOM 14754 HW1 SOL 4394 17.800 52.410 32.980 1.00 0.00 H +ATOM 14755 HW2 SOL 4394 18.510 52.780 34.260 1.00 0.00 H +ATOM 14756 OW SOL 4395 41.140 56.060 21.090 1.00 0.00 O +ATOM 14757 HW1 SOL 4395 42.010 55.840 21.410 1.00 0.00 H +ATOM 14758 HW2 SOL 4395 40.680 55.230 21.030 1.00 0.00 H +ATOM 14759 OW SOL 4396 51.460 50.420 34.740 1.00 0.00 O +ATOM 14760 HW1 SOL 4396 50.750 50.580 34.110 1.00 0.00 H +ATOM 14761 HW2 SOL 4396 51.010 50.280 35.570 1.00 0.00 H +ATOM 14762 OW SOL 4397 29.550 2.580 0.360 1.00 0.00 O +ATOM 14763 HW1 SOL 4397 29.600 3.170 -0.400 1.00 0.00 H +ATOM 14764 HW2 SOL 4397 30.080 3.010 1.030 1.00 0.00 H +ATOM 14765 OW SOL 4398 58.100 43.960 2.700 1.00 0.00 O +ATOM 14766 HW1 SOL 4398 57.180 44.210 2.820 1.00 0.00 H +ATOM 14767 HW2 SOL 4398 58.480 44.040 3.580 1.00 0.00 H +ATOM 14768 OW SOL 4399 65.540 30.630 34.170 1.00 0.00 O +ATOM 14769 HW1 SOL 4399 64.780 31.030 34.600 1.00 0.00 H +ATOM 14770 HW2 SOL 4399 65.660 29.800 34.630 1.00 0.00 H +ATOM 14771 OW SOL 4400 9.840 27.960 53.290 1.00 0.00 O +ATOM 14772 HW1 SOL 4400 8.960 28.110 52.930 1.00 0.00 H +ATOM 14773 HW2 SOL 4400 10.280 28.800 53.180 1.00 0.00 H +ATOM 14774 OW SOL 4401 28.520 50.370 9.360 1.00 0.00 O +ATOM 14775 HW1 SOL 4401 28.820 49.750 8.690 1.00 0.00 H +ATOM 14776 HW2 SOL 4401 28.530 49.860 10.170 1.00 0.00 H +ATOM 14777 OW SOL 4402 53.120 2.240 42.540 1.00 0.00 O +ATOM 14778 HW1 SOL 4402 52.520 2.990 42.460 1.00 0.00 H +ATOM 14779 HW2 SOL 4402 52.590 1.550 42.940 1.00 0.00 H +ATOM 14780 OW SOL 4403 12.460 21.460 26.200 1.00 0.00 O +ATOM 14781 HW1 SOL 4403 11.960 20.800 25.720 1.00 0.00 H +ATOM 14782 HW2 SOL 4403 11.820 21.830 26.820 1.00 0.00 H +ATOM 14783 OW SOL 4404 40.140 15.510 11.360 1.00 0.00 O +ATOM 14784 HW1 SOL 4404 40.360 15.600 10.430 1.00 0.00 H +ATOM 14785 HW2 SOL 4404 40.440 16.320 11.760 1.00 0.00 H +ATOM 14786 OW SOL 4405 18.340 8.790 19.300 1.00 0.00 O +ATOM 14787 HW1 SOL 4405 17.840 9.450 18.820 1.00 0.00 H +ATOM 14788 HW2 SOL 4405 19.190 9.210 19.480 1.00 0.00 H +ATOM 14789 OW SOL 4406 57.910 56.520 34.350 1.00 0.00 O +ATOM 14790 HW1 SOL 4406 57.060 56.520 33.920 1.00 0.00 H +ATOM 14791 HW2 SOL 4406 58.500 56.120 33.710 1.00 0.00 H +ATOM 14792 OW SOL 4407 48.420 12.510 20.110 1.00 0.00 O +ATOM 14793 HW1 SOL 4407 47.790 12.720 19.420 1.00 0.00 H +ATOM 14794 HW2 SOL 4407 49.030 11.890 19.700 1.00 0.00 H +ATOM 14795 OW SOL 4408 17.890 41.740 9.510 1.00 0.00 O +ATOM 14796 HW1 SOL 4408 18.460 42.510 9.520 1.00 0.00 H +ATOM 14797 HW2 SOL 4408 18.430 41.050 9.120 1.00 0.00 H +ATOM 14798 OW SOL 4409 60.000 0.500 2.720 1.00 0.00 O +ATOM 14799 HW1 SOL 4409 59.570 1.170 3.250 1.00 0.00 H +ATOM 14800 HW2 SOL 4409 59.590 0.580 1.860 1.00 0.00 H +ATOM 14801 OW SOL 4410 48.500 42.490 46.700 1.00 0.00 O +ATOM 14802 HW1 SOL 4410 48.260 41.800 46.080 1.00 0.00 H +ATOM 14803 HW2 SOL 4410 47.900 43.210 46.500 1.00 0.00 H +ATOM 14804 OW SOL 4411 31.280 0.990 42.130 1.00 0.00 O +ATOM 14805 HW1 SOL 4411 31.610 0.090 42.160 1.00 0.00 H +ATOM 14806 HW2 SOL 4411 31.590 1.380 42.950 1.00 0.00 H +ATOM 14807 OW SOL 4412 42.380 20.730 36.360 1.00 0.00 O +ATOM 14808 HW1 SOL 4412 42.460 20.420 35.460 1.00 0.00 H +ATOM 14809 HW2 SOL 4412 41.670 21.370 36.330 1.00 0.00 H +ATOM 14810 OW SOL 4413 13.800 37.460 15.360 1.00 0.00 O +ATOM 14811 HW1 SOL 4413 13.200 37.150 14.690 1.00 0.00 H +ATOM 14812 HW2 SOL 4413 13.320 38.140 15.830 1.00 0.00 H +ATOM 14813 OW SOL 4414 58.570 28.290 21.190 1.00 0.00 O +ATOM 14814 HW1 SOL 4414 58.800 27.360 21.260 1.00 0.00 H +ATOM 14815 HW2 SOL 4414 58.640 28.490 20.260 1.00 0.00 H +ATOM 14816 OW SOL 4415 48.880 51.330 21.580 1.00 0.00 O +ATOM 14817 HW1 SOL 4415 48.160 51.860 21.240 1.00 0.00 H +ATOM 14818 HW2 SOL 4415 48.450 50.600 22.020 1.00 0.00 H +ATOM 14819 OW SOL 4416 42.350 25.300 31.370 1.00 0.00 O +ATOM 14820 HW1 SOL 4416 42.940 25.810 31.930 1.00 0.00 H +ATOM 14821 HW2 SOL 4416 42.440 24.400 31.680 1.00 0.00 H +ATOM 14822 OW SOL 4417 7.390 56.000 20.820 1.00 0.00 O +ATOM 14823 HW1 SOL 4417 7.490 55.070 20.630 1.00 0.00 H +ATOM 14824 HW2 SOL 4417 7.910 56.140 21.610 1.00 0.00 H +ATOM 14825 OW SOL 4418 8.330 55.020 3.840 1.00 0.00 O +ATOM 14826 HW1 SOL 4418 8.650 55.880 3.560 1.00 0.00 H +ATOM 14827 HW2 SOL 4418 7.480 54.920 3.420 1.00 0.00 H +ATOM 14828 OW SOL 4419 57.850 8.110 20.200 1.00 0.00 O +ATOM 14829 HW1 SOL 4419 58.150 8.260 21.100 1.00 0.00 H +ATOM 14830 HW2 SOL 4419 56.900 8.190 20.240 1.00 0.00 H +ATOM 14831 OW SOL 4420 18.570 19.040 29.930 1.00 0.00 O +ATOM 14832 HW1 SOL 4420 18.130 19.780 29.520 1.00 0.00 H +ATOM 14833 HW2 SOL 4420 18.830 19.370 30.790 1.00 0.00 H +ATOM 14834 OW SOL 4421 16.090 49.490 37.530 1.00 0.00 O +ATOM 14835 HW1 SOL 4421 16.550 50.320 37.610 1.00 0.00 H +ATOM 14836 HW2 SOL 4421 15.600 49.400 38.350 1.00 0.00 H +ATOM 14837 OW SOL 4422 58.170 50.720 29.940 1.00 0.00 O +ATOM 14838 HW1 SOL 4422 57.410 50.410 29.440 1.00 0.00 H +ATOM 14839 HW2 SOL 4422 58.350 50.030 30.570 1.00 0.00 H +ATOM 14840 OW SOL 4423 32.580 58.300 10.220 1.00 0.00 O +ATOM 14841 HW1 SOL 4423 33.200 57.800 10.750 1.00 0.00 H +ATOM 14842 HW2 SOL 4423 31.830 57.720 10.120 1.00 0.00 H +ATOM 14843 OW SOL 4424 8.730 20.010 21.630 1.00 0.00 O +ATOM 14844 HW1 SOL 4424 8.170 20.420 20.970 1.00 0.00 H +ATOM 14845 HW2 SOL 4424 8.800 19.100 21.350 1.00 0.00 H +ATOM 14846 OW SOL 4425 14.660 22.620 24.230 1.00 0.00 O +ATOM 14847 HW1 SOL 4425 13.980 21.970 24.060 1.00 0.00 H +ATOM 14848 HW2 SOL 4425 14.510 23.300 23.580 1.00 0.00 H +ATOM 14849 OW SOL 4426 10.350 3.890 2.110 1.00 0.00 O +ATOM 14850 HW1 SOL 4426 9.670 4.550 2.270 1.00 0.00 H +ATOM 14851 HW2 SOL 4426 9.870 3.060 2.120 1.00 0.00 H +ATOM 14852 OW SOL 4427 63.880 59.770 26.410 1.00 0.00 O +ATOM 14853 HW1 SOL 4427 63.650 58.860 26.570 1.00 0.00 H +ATOM 14854 HW2 SOL 4427 63.560 59.950 25.520 1.00 0.00 H +ATOM 14855 OW SOL 4428 56.000 20.260 24.330 1.00 0.00 O +ATOM 14856 HW1 SOL 4428 55.130 20.220 24.740 1.00 0.00 H +ATOM 14857 HW2 SOL 4428 56.410 21.030 24.720 1.00 0.00 H +ATOM 14858 OW SOL 4429 19.620 3.960 18.010 1.00 0.00 O +ATOM 14859 HW1 SOL 4429 19.170 4.610 18.550 1.00 0.00 H +ATOM 14860 HW2 SOL 4429 20.520 3.980 18.310 1.00 0.00 H +ATOM 14861 OW SOL 4430 0.710 5.710 47.880 1.00 0.00 O +ATOM 14862 HW1 SOL 4430 0.760 5.830 48.830 1.00 0.00 H +ATOM 14863 HW2 SOL 4430 0.210 6.470 47.580 1.00 0.00 H +ATOM 14864 OW SOL 4431 0.720 13.670 39.990 1.00 0.00 O +ATOM 14865 HW1 SOL 4431 0.120 13.420 40.700 1.00 0.00 H +ATOM 14866 HW2 SOL 4431 1.070 14.520 40.260 1.00 0.00 H +ATOM 14867 OW SOL 4432 42.300 15.820 38.390 1.00 0.00 O +ATOM 14868 HW1 SOL 4432 41.650 15.500 39.010 1.00 0.00 H +ATOM 14869 HW2 SOL 4432 41.860 16.510 37.900 1.00 0.00 H +ATOM 14870 OW SOL 4433 2.080 30.890 4.830 1.00 0.00 O +ATOM 14871 HW1 SOL 4433 2.390 31.140 3.950 1.00 0.00 H +ATOM 14872 HW2 SOL 4433 2.760 30.310 5.160 1.00 0.00 H +ATOM 14873 OW SOL 4434 49.230 46.850 35.270 1.00 0.00 O +ATOM 14874 HW1 SOL 4434 48.490 46.250 35.220 1.00 0.00 H +ATOM 14875 HW2 SOL 4434 49.050 47.400 36.030 1.00 0.00 H +ATOM 14876 OW SOL 4435 37.310 18.480 27.690 1.00 0.00 O +ATOM 14877 HW1 SOL 4435 36.490 18.150 28.060 1.00 0.00 H +ATOM 14878 HW2 SOL 4435 37.270 18.230 26.770 1.00 0.00 H +ATOM 14879 OW SOL 4436 10.590 33.470 7.040 1.00 0.00 O +ATOM 14880 HW1 SOL 4436 11.530 33.440 7.210 1.00 0.00 H +ATOM 14881 HW2 SOL 4436 10.250 32.650 7.400 1.00 0.00 H +ATOM 14882 OW SOL 4437 61.690 42.590 46.900 1.00 0.00 O +ATOM 14883 HW1 SOL 4437 60.980 42.640 47.540 1.00 0.00 H +ATOM 14884 HW2 SOL 4437 62.020 43.490 46.850 1.00 0.00 H +ATOM 14885 OW SOL 4438 47.450 58.230 42.040 1.00 0.00 O +ATOM 14886 HW1 SOL 4438 47.060 58.630 41.260 1.00 0.00 H +ATOM 14887 HW2 SOL 4438 48.120 58.850 42.330 1.00 0.00 H +ATOM 14888 OW SOL 4439 12.460 19.950 40.680 1.00 0.00 O +ATOM 14889 HW1 SOL 4439 13.170 19.710 40.090 1.00 0.00 H +ATOM 14890 HW2 SOL 4439 11.840 20.430 40.140 1.00 0.00 H +ATOM 14891 OW SOL 4440 25.460 1.400 49.800 1.00 0.00 O +ATOM 14892 HW1 SOL 4440 26.290 1.860 49.920 1.00 0.00 H +ATOM 14893 HW2 SOL 4440 25.380 1.270 48.860 1.00 0.00 H +ATOM 14894 OW SOL 4441 22.630 41.120 20.670 1.00 0.00 O +ATOM 14895 HW1 SOL 4441 23.180 41.600 21.280 1.00 0.00 H +ATOM 14896 HW2 SOL 4441 23.220 40.870 19.960 1.00 0.00 H +ATOM 14897 OW SOL 4442 1.290 50.600 27.410 1.00 0.00 O +ATOM 14898 HW1 SOL 4442 0.600 49.970 27.610 1.00 0.00 H +ATOM 14899 HW2 SOL 4442 1.660 50.830 28.260 1.00 0.00 H +ATOM 14900 OW SOL 4443 57.150 29.060 26.330 1.00 0.00 O +ATOM 14901 HW1 SOL 4443 58.060 28.760 26.330 1.00 0.00 H +ATOM 14902 HW2 SOL 4443 56.630 28.260 26.390 1.00 0.00 H +ATOM 14903 OW SOL 4444 54.010 5.750 35.220 1.00 0.00 O +ATOM 14904 HW1 SOL 4444 54.480 5.010 35.610 1.00 0.00 H +ATOM 14905 HW2 SOL 4444 53.870 5.490 34.310 1.00 0.00 H +ATOM 14906 OW SOL 4445 14.360 34.430 50.240 1.00 0.00 O +ATOM 14907 HW1 SOL 4445 14.130 34.210 49.340 1.00 0.00 H +ATOM 14908 HW2 SOL 4445 14.190 33.630 50.740 1.00 0.00 H +ATOM 14909 OW SOL 4446 56.790 47.870 11.970 1.00 0.00 O +ATOM 14910 HW1 SOL 4446 56.340 48.010 12.800 1.00 0.00 H +ATOM 14911 HW2 SOL 4446 57.100 48.740 11.710 1.00 0.00 H +ATOM 14912 OW SOL 4447 42.790 31.700 14.050 1.00 0.00 O +ATOM 14913 HW1 SOL 4447 42.770 31.520 13.110 1.00 0.00 H +ATOM 14914 HW2 SOL 4447 43.600 31.300 14.360 1.00 0.00 H +ATOM 14915 OW SOL 4448 11.410 56.670 27.370 1.00 0.00 O +ATOM 14916 HW1 SOL 4448 12.120 56.170 27.780 1.00 0.00 H +ATOM 14917 HW2 SOL 4448 11.370 57.480 27.870 1.00 0.00 H +ATOM 14918 OW SOL 4449 38.500 57.450 53.430 1.00 0.00 O +ATOM 14919 HW1 SOL 4449 37.760 57.340 52.830 1.00 0.00 H +ATOM 14920 HW2 SOL 4449 38.820 56.560 53.570 1.00 0.00 H +ATOM 14921 OW SOL 4450 20.930 40.720 11.200 1.00 0.00 O +ATOM 14922 HW1 SOL 4450 21.060 40.400 10.300 1.00 0.00 H +ATOM 14923 HW2 SOL 4450 20.190 40.220 11.530 1.00 0.00 H +ATOM 14924 OW SOL 4451 5.440 13.050 28.190 1.00 0.00 O +ATOM 14925 HW1 SOL 4451 6.350 12.780 28.130 1.00 0.00 H +ATOM 14926 HW2 SOL 4451 5.470 13.970 28.440 1.00 0.00 H +ATOM 14927 OW SOL 4452 33.910 56.470 11.680 1.00 0.00 O +ATOM 14928 HW1 SOL 4452 34.430 56.640 12.460 1.00 0.00 H +ATOM 14929 HW2 SOL 4452 34.320 55.700 11.280 1.00 0.00 H +ATOM 14930 OW SOL 4453 62.680 11.210 46.260 1.00 0.00 O +ATOM 14931 HW1 SOL 4453 63.290 10.670 46.760 1.00 0.00 H +ATOM 14932 HW2 SOL 4453 62.730 12.070 46.670 1.00 0.00 H +ATOM 14933 OW SOL 4454 34.510 6.800 4.800 1.00 0.00 O +ATOM 14934 HW1 SOL 4454 35.000 6.520 4.020 1.00 0.00 H +ATOM 14935 HW2 SOL 4454 33.830 6.130 4.900 1.00 0.00 H +ATOM 14936 OW SOL 4455 54.580 50.010 50.320 1.00 0.00 O +ATOM 14937 HW1 SOL 4455 55.520 50.000 50.170 1.00 0.00 H +ATOM 14938 HW2 SOL 4455 54.270 49.180 49.950 1.00 0.00 H +ATOM 14939 OW SOL 4456 22.480 40.980 0.090 1.00 0.00 O +ATOM 14940 HW1 SOL 4456 21.890 40.230 0.040 1.00 0.00 H +ATOM 14941 HW2 SOL 4456 23.190 40.690 0.670 1.00 0.00 H +ATOM 14942 OW SOL 4457 39.660 32.800 52.580 1.00 0.00 O +ATOM 14943 HW1 SOL 4457 39.050 33.390 52.140 1.00 0.00 H +ATOM 14944 HW2 SOL 4457 40.520 33.090 52.300 1.00 0.00 H +ATOM 14945 OW SOL 4458 47.630 19.950 16.070 1.00 0.00 O +ATOM 14946 HW1 SOL 4458 46.930 19.310 16.210 1.00 0.00 H +ATOM 14947 HW2 SOL 4458 47.860 20.240 16.950 1.00 0.00 H +ATOM 14948 OW SOL 4459 41.170 23.250 50.930 1.00 0.00 O +ATOM 14949 HW1 SOL 4459 40.380 22.710 50.970 1.00 0.00 H +ATOM 14950 HW2 SOL 4459 41.880 22.640 50.740 1.00 0.00 H +ATOM 14951 OW SOL 4460 46.290 57.290 24.300 1.00 0.00 O +ATOM 14952 HW1 SOL 4460 47.050 57.290 24.880 1.00 0.00 H +ATOM 14953 HW2 SOL 4460 46.670 57.290 23.410 1.00 0.00 H +ATOM 14954 OW SOL 4461 29.380 53.700 49.200 1.00 0.00 O +ATOM 14955 HW1 SOL 4461 29.970 54.220 49.740 1.00 0.00 H +ATOM 14956 HW2 SOL 4461 29.510 54.030 48.320 1.00 0.00 H +ATOM 14957 OW SOL 4462 51.200 47.890 33.800 1.00 0.00 O +ATOM 14958 HW1 SOL 4462 51.160 48.800 34.070 1.00 0.00 H +ATOM 14959 HW2 SOL 4462 50.320 47.550 33.980 1.00 0.00 H +ATOM 14960 OW SOL 4463 1.320 28.960 10.810 1.00 0.00 O +ATOM 14961 HW1 SOL 4463 1.030 28.620 11.660 1.00 0.00 H +ATOM 14962 HW2 SOL 4463 1.290 28.200 10.230 1.00 0.00 H +ATOM 14963 OW SOL 4464 40.830 20.420 18.480 1.00 0.00 O +ATOM 14964 HW1 SOL 4464 41.540 20.980 18.790 1.00 0.00 H +ATOM 14965 HW2 SOL 4464 40.030 20.820 18.840 1.00 0.00 H +ATOM 14966 OW SOL 4465 33.250 3.980 5.400 1.00 0.00 O +ATOM 14967 HW1 SOL 4465 33.420 4.080 6.340 1.00 0.00 H +ATOM 14968 HW2 SOL 4465 32.330 4.200 5.290 1.00 0.00 H +ATOM 14969 OW SOL 4466 43.010 6.040 32.450 1.00 0.00 O +ATOM 14970 HW1 SOL 4466 43.240 6.950 32.630 1.00 0.00 H +ATOM 14971 HW2 SOL 4466 42.140 5.940 32.830 1.00 0.00 H +ATOM 14972 OW SOL 4467 15.690 6.630 50.610 1.00 0.00 O +ATOM 14973 HW1 SOL 4467 15.350 5.780 50.320 1.00 0.00 H +ATOM 14974 HW2 SOL 4467 16.280 6.900 49.900 1.00 0.00 H +ATOM 14975 OW SOL 4468 53.410 15.100 6.530 1.00 0.00 O +ATOM 14976 HW1 SOL 4468 54.310 15.200 6.200 1.00 0.00 H +ATOM 14977 HW2 SOL 4468 53.280 15.850 7.110 1.00 0.00 H +ATOM 14978 OW SOL 4469 33.590 21.110 35.440 1.00 0.00 O +ATOM 14979 HW1 SOL 4469 34.350 21.660 35.640 1.00 0.00 H +ATOM 14980 HW2 SOL 4469 33.130 21.030 36.270 1.00 0.00 H +ATOM 14981 OW SOL 4470 9.170 35.910 28.850 1.00 0.00 O +ATOM 14982 HW1 SOL 4470 8.680 35.160 29.220 1.00 0.00 H +ATOM 14983 HW2 SOL 4470 9.930 35.510 28.430 1.00 0.00 H +ATOM 14984 OW SOL 4471 58.860 2.920 53.040 1.00 0.00 O +ATOM 14985 HW1 SOL 4471 59.650 2.540 52.650 1.00 0.00 H +ATOM 14986 HW2 SOL 4471 58.200 2.240 52.920 1.00 0.00 H +ATOM 14987 OW SOL 4472 59.490 8.090 16.610 1.00 0.00 O +ATOM 14988 HW1 SOL 4472 59.280 7.150 16.650 1.00 0.00 H +ATOM 14989 HW2 SOL 4472 59.020 8.410 15.840 1.00 0.00 H +ATOM 14990 OW SOL 4473 48.120 5.100 20.500 1.00 0.00 O +ATOM 14991 HW1 SOL 4473 48.130 5.720 19.770 1.00 0.00 H +ATOM 14992 HW2 SOL 4473 48.470 5.590 21.240 1.00 0.00 H +ATOM 14993 OW SOL 4474 38.230 37.570 38.890 1.00 0.00 O +ATOM 14994 HW1 SOL 4474 38.300 36.680 39.230 1.00 0.00 H +ATOM 14995 HW2 SOL 4474 38.170 38.120 39.670 1.00 0.00 H +ATOM 14996 OW SOL 4475 5.840 3.740 40.360 1.00 0.00 O +ATOM 14997 HW1 SOL 4475 4.960 4.110 40.420 1.00 0.00 H +ATOM 14998 HW2 SOL 4475 5.930 3.220 41.160 1.00 0.00 H +ATOM 14999 OW SOL 4476 40.500 14.530 40.030 1.00 0.00 O +ATOM 15000 HW1 SOL 4476 40.310 13.760 39.490 1.00 0.00 H +ATOM 15001 HW2 SOL 4476 41.120 14.220 40.690 1.00 0.00 H +ATOM 15002 OW SOL 4477 16.240 41.350 31.200 1.00 0.00 O +ATOM 15003 HW1 SOL 4477 15.330 41.080 31.140 1.00 0.00 H +ATOM 15004 HW2 SOL 4477 16.740 40.580 30.930 1.00 0.00 H +ATOM 15005 OW SOL 4478 47.760 22.230 41.390 1.00 0.00 O +ATOM 15006 HW1 SOL 4478 48.420 22.780 41.830 1.00 0.00 H +ATOM 15007 HW2 SOL 4478 47.860 22.440 40.460 1.00 0.00 H +ATOM 15008 OW SOL 4479 6.370 3.910 44.870 1.00 0.00 O +ATOM 15009 HW1 SOL 4479 6.750 4.760 44.670 1.00 0.00 H +ATOM 15010 HW2 SOL 4479 6.560 3.770 45.800 1.00 0.00 H +ATOM 15011 OW SOL 4480 13.240 48.900 27.310 1.00 0.00 O +ATOM 15012 HW1 SOL 4480 12.430 49.410 27.290 1.00 0.00 H +ATOM 15013 HW2 SOL 4480 13.690 49.140 26.500 1.00 0.00 H +ATOM 15014 OW SOL 4481 24.940 43.770 51.640 1.00 0.00 O +ATOM 15015 HW1 SOL 4481 25.600 44.170 51.070 1.00 0.00 H +ATOM 15016 HW2 SOL 4481 24.750 44.440 52.290 1.00 0.00 H +ATOM 15017 OW SOL 4482 28.660 21.340 36.820 1.00 0.00 O +ATOM 15018 HW1 SOL 4482 29.580 21.480 37.030 1.00 0.00 H +ATOM 15019 HW2 SOL 4482 28.580 20.390 36.690 1.00 0.00 H +ATOM 15020 OW SOL 4483 3.850 32.170 16.470 1.00 0.00 O +ATOM 15021 HW1 SOL 4483 4.660 32.550 16.810 1.00 0.00 H +ATOM 15022 HW2 SOL 4483 3.310 32.030 17.250 1.00 0.00 H +ATOM 15023 OW SOL 4484 7.640 27.410 12.230 1.00 0.00 O +ATOM 15024 HW1 SOL 4484 7.970 28.110 12.800 1.00 0.00 H +ATOM 15025 HW2 SOL 4484 7.700 27.760 11.350 1.00 0.00 H +ATOM 15026 OW SOL 4485 51.760 53.910 30.940 1.00 0.00 O +ATOM 15027 HW1 SOL 4485 51.610 54.150 30.030 1.00 0.00 H +ATOM 15028 HW2 SOL 4485 52.030 54.720 31.360 1.00 0.00 H +ATOM 15029 OW SOL 4486 15.100 14.420 27.190 1.00 0.00 O +ATOM 15030 HW1 SOL 4486 14.540 13.850 26.660 1.00 0.00 H +ATOM 15031 HW2 SOL 4486 15.130 15.240 26.700 1.00 0.00 H +ATOM 15032 OW SOL 4487 49.420 59.630 16.840 1.00 0.00 O +ATOM 15033 HW1 SOL 4487 50.250 59.300 17.190 1.00 0.00 H +ATOM 15034 HW2 SOL 4487 49.020 58.870 16.420 1.00 0.00 H +ATOM 15035 OW SOL 4488 52.260 1.910 7.660 1.00 0.00 O +ATOM 15036 HW1 SOL 4488 51.420 2.370 7.680 1.00 0.00 H +ATOM 15037 HW2 SOL 4488 52.740 2.320 6.940 1.00 0.00 H +ATOM 15038 OW SOL 4489 27.550 20.520 29.960 1.00 0.00 O +ATOM 15039 HW1 SOL 4489 27.650 21.200 30.620 1.00 0.00 H +ATOM 15040 HW2 SOL 4489 28.360 20.560 29.460 1.00 0.00 H +ATOM 15041 OW SOL 4490 57.520 21.060 18.770 1.00 0.00 O +ATOM 15042 HW1 SOL 4490 58.390 21.370 18.490 1.00 0.00 H +ATOM 15043 HW2 SOL 4490 57.210 20.530 18.040 1.00 0.00 H +ATOM 15044 OW SOL 4491 51.280 14.890 21.670 1.00 0.00 O +ATOM 15045 HW1 SOL 4491 51.780 14.680 22.460 1.00 0.00 H +ATOM 15046 HW2 SOL 4491 51.070 15.820 21.760 1.00 0.00 H +ATOM 15047 OW SOL 4492 28.100 28.570 14.220 1.00 0.00 O +ATOM 15048 HW1 SOL 4492 27.600 29.240 14.690 1.00 0.00 H +ATOM 15049 HW2 SOL 4492 27.880 27.750 14.670 1.00 0.00 H +ATOM 15050 OW SOL 4493 48.870 42.840 52.410 1.00 0.00 O +ATOM 15051 HW1 SOL 4493 48.320 42.300 52.980 1.00 0.00 H +ATOM 15052 HW2 SOL 4493 49.760 42.630 52.660 1.00 0.00 H +ATOM 15053 OW SOL 4494 17.420 52.370 9.030 1.00 0.00 O +ATOM 15054 HW1 SOL 4494 16.930 53.000 8.500 1.00 0.00 H +ATOM 15055 HW2 SOL 4494 17.030 51.530 8.810 1.00 0.00 H +ATOM 15056 OW SOL 4495 19.050 49.930 11.610 1.00 0.00 O +ATOM 15057 HW1 SOL 4495 19.270 50.210 10.720 1.00 0.00 H +ATOM 15058 HW2 SOL 4495 19.190 50.710 12.150 1.00 0.00 H +ATOM 15059 OW SOL 4496 34.510 11.440 10.030 1.00 0.00 O +ATOM 15060 HW1 SOL 4496 34.310 10.940 9.240 1.00 0.00 H +ATOM 15061 HW2 SOL 4496 35.400 11.760 9.890 1.00 0.00 H +ATOM 15062 OW SOL 4497 21.980 52.460 51.830 1.00 0.00 O +ATOM 15063 HW1 SOL 4497 22.430 52.660 52.650 1.00 0.00 H +ATOM 15064 HW2 SOL 4497 21.430 53.220 51.660 1.00 0.00 H +ATOM 15065 OW SOL 4498 50.190 30.450 34.240 1.00 0.00 O +ATOM 15066 HW1 SOL 4498 49.540 31.150 34.210 1.00 0.00 H +ATOM 15067 HW2 SOL 4498 49.930 29.920 34.990 1.00 0.00 H +ATOM 15068 OW SOL 4499 52.960 44.100 27.640 1.00 0.00 O +ATOM 15069 HW1 SOL 4499 53.040 43.200 27.320 1.00 0.00 H +ATOM 15070 HW2 SOL 4499 52.080 44.150 28.000 1.00 0.00 H +ATOM 15071 OW SOL 4500 27.770 57.980 14.680 1.00 0.00 O +ATOM 15072 HW1 SOL 4500 26.980 57.460 14.510 1.00 0.00 H +ATOM 15073 HW2 SOL 4500 28.480 57.470 14.300 1.00 0.00 H +ATOM 15074 OW SOL 4501 7.370 42.090 26.700 1.00 0.00 O +ATOM 15075 HW1 SOL 4501 7.290 42.800 26.060 1.00 0.00 H +ATOM 15076 HW2 SOL 4501 6.490 42.000 27.070 1.00 0.00 H +ATOM 15077 OW SOL 4502 39.770 58.800 45.960 1.00 0.00 O +ATOM 15078 HW1 SOL 4502 40.020 58.510 45.080 1.00 0.00 H +ATOM 15079 HW2 SOL 4502 39.720 59.750 45.890 1.00 0.00 H +ATOM 15080 OW SOL 4503 21.600 53.590 33.150 1.00 0.00 O +ATOM 15081 HW1 SOL 4503 21.670 54.290 33.790 1.00 0.00 H +ATOM 15082 HW2 SOL 4503 20.670 53.560 32.920 1.00 0.00 H +ATOM 15083 OW SOL 4504 28.230 48.870 11.740 1.00 0.00 O +ATOM 15084 HW1 SOL 4504 27.290 48.710 11.650 1.00 0.00 H +ATOM 15085 HW2 SOL 4504 28.460 48.500 12.590 1.00 0.00 H +ATOM 15086 OW SOL 4505 61.230 35.820 1.670 1.00 0.00 O +ATOM 15087 HW1 SOL 4505 60.910 36.340 0.930 1.00 0.00 H +ATOM 15088 HW2 SOL 4505 62.180 35.940 1.660 1.00 0.00 H +ATOM 15089 OW SOL 4506 27.660 49.170 45.240 1.00 0.00 O +ATOM 15090 HW1 SOL 4506 28.590 48.980 45.130 1.00 0.00 H +ATOM 15091 HW2 SOL 4506 27.420 48.720 46.050 1.00 0.00 H +ATOM 15092 OW SOL 4507 54.460 21.430 17.580 1.00 0.00 O +ATOM 15093 HW1 SOL 4507 53.850 21.380 16.850 1.00 0.00 H +ATOM 15094 HW2 SOL 4507 54.960 20.610 17.530 1.00 0.00 H +ATOM 15095 OW SOL 4508 16.290 47.780 6.200 1.00 0.00 O +ATOM 15096 HW1 SOL 4508 17.110 47.590 5.760 1.00 0.00 H +ATOM 15097 HW2 SOL 4508 16.010 46.940 6.570 1.00 0.00 H +ATOM 15098 OW SOL 4509 2.770 12.230 41.930 1.00 0.00 O +ATOM 15099 HW1 SOL 4509 2.360 12.680 41.190 1.00 0.00 H +ATOM 15100 HW2 SOL 4509 3.500 12.790 42.170 1.00 0.00 H +ATOM 15101 OW SOL 4510 2.690 59.960 37.980 1.00 0.00 O +ATOM 15102 HW1 SOL 4510 2.510 60.860 38.240 1.00 0.00 H +ATOM 15103 HW2 SOL 4510 1.940 59.460 38.300 1.00 0.00 H +ATOM 15104 OW SOL 4511 5.770 27.000 44.000 1.00 0.00 O +ATOM 15105 HW1 SOL 4511 5.490 27.910 43.980 1.00 0.00 H +ATOM 15106 HW2 SOL 4511 4.980 26.500 43.760 1.00 0.00 H +ATOM 15107 OW SOL 4512 40.670 13.460 13.250 1.00 0.00 O +ATOM 15108 HW1 SOL 4512 41.280 12.930 12.740 1.00 0.00 H +ATOM 15109 HW2 SOL 4512 40.350 14.120 12.640 1.00 0.00 H +ATOM 15110 OW SOL 4513 29.800 24.930 6.990 1.00 0.00 O +ATOM 15111 HW1 SOL 4513 30.470 25.430 6.520 1.00 0.00 H +ATOM 15112 HW2 SOL 4513 30.020 25.050 7.920 1.00 0.00 H +ATOM 15113 OW SOL 4514 11.990 36.270 19.790 1.00 0.00 O +ATOM 15114 HW1 SOL 4514 11.340 36.290 19.090 1.00 0.00 H +ATOM 15115 HW2 SOL 4514 12.030 37.170 20.120 1.00 0.00 H +ATOM 15116 OW SOL 4515 35.700 48.250 51.940 1.00 0.00 O +ATOM 15117 HW1 SOL 4515 35.040 47.850 52.500 1.00 0.00 H +ATOM 15118 HW2 SOL 4515 35.200 48.670 51.240 1.00 0.00 H +ATOM 15119 OW SOL 4516 30.940 13.280 9.670 1.00 0.00 O +ATOM 15120 HW1 SOL 4516 30.020 13.420 9.910 1.00 0.00 H +ATOM 15121 HW2 SOL 4516 31.150 14.010 9.080 1.00 0.00 H +ATOM 15122 OW SOL 4517 20.560 16.680 31.930 1.00 0.00 O +ATOM 15123 HW1 SOL 4517 19.990 16.320 31.250 1.00 0.00 H +ATOM 15124 HW2 SOL 4517 20.200 16.340 32.750 1.00 0.00 H +ATOM 15125 OW SOL 4518 55.370 40.020 15.180 1.00 0.00 O +ATOM 15126 HW1 SOL 4518 55.500 40.840 15.660 1.00 0.00 H +ATOM 15127 HW2 SOL 4518 56.110 39.970 14.580 1.00 0.00 H +ATOM 15128 OW SOL 4519 42.900 17.630 12.580 1.00 0.00 O +ATOM 15129 HW1 SOL 4519 43.400 16.960 12.120 1.00 0.00 H +ATOM 15130 HW2 SOL 4519 42.230 17.910 11.960 1.00 0.00 H +ATOM 15131 OW SOL 4520 10.730 36.130 17.560 1.00 0.00 O +ATOM 15132 HW1 SOL 4520 11.190 35.430 17.090 1.00 0.00 H +ATOM 15133 HW2 SOL 4520 10.290 36.630 16.870 1.00 0.00 H +ATOM 15134 OW SOL 4521 55.850 42.640 16.950 1.00 0.00 O +ATOM 15135 HW1 SOL 4521 56.050 43.180 17.710 1.00 0.00 H +ATOM 15136 HW2 SOL 4521 56.710 42.390 16.610 1.00 0.00 H +ATOM 15137 OW SOL 4522 59.330 50.910 52.400 1.00 0.00 O +ATOM 15138 HW1 SOL 4522 59.800 51.550 52.930 1.00 0.00 H +ATOM 15139 HW2 SOL 4522 59.330 51.280 51.520 1.00 0.00 H +ATOM 15140 OW SOL 4523 52.500 32.110 40.800 1.00 0.00 O +ATOM 15141 HW1 SOL 4523 52.410 32.090 41.750 1.00 0.00 H +ATOM 15142 HW2 SOL 4523 52.580 33.040 40.580 1.00 0.00 H +ATOM 15143 OW SOL 4524 13.860 25.000 20.310 1.00 0.00 O +ATOM 15144 HW1 SOL 4524 13.170 24.470 19.930 1.00 0.00 H +ATOM 15145 HW2 SOL 4524 13.600 25.120 21.220 1.00 0.00 H +ATOM 15146 OW SOL 4525 57.400 35.130 6.500 1.00 0.00 O +ATOM 15147 HW1 SOL 4525 58.300 35.400 6.330 1.00 0.00 H +ATOM 15148 HW2 SOL 4525 57.460 34.190 6.660 1.00 0.00 H +ATOM 15149 OW SOL 4526 6.690 16.100 12.660 1.00 0.00 O +ATOM 15150 HW1 SOL 4526 7.320 15.800 12.000 1.00 0.00 H +ATOM 15151 HW2 SOL 4526 6.580 17.030 12.470 1.00 0.00 H +ATOM 15152 OW SOL 4527 44.320 41.870 23.640 1.00 0.00 O +ATOM 15153 HW1 SOL 4527 43.540 41.320 23.760 1.00 0.00 H +ATOM 15154 HW2 SOL 4527 45.040 41.350 23.990 1.00 0.00 H +ATOM 15155 OW SOL 4528 52.030 17.520 51.040 1.00 0.00 O +ATOM 15156 HW1 SOL 4528 52.880 17.240 50.700 1.00 0.00 H +ATOM 15157 HW2 SOL 4528 51.720 16.780 51.560 1.00 0.00 H +ATOM 15158 OW SOL 4529 10.800 26.470 15.360 1.00 0.00 O +ATOM 15159 HW1 SOL 4529 11.110 25.770 15.920 1.00 0.00 H +ATOM 15160 HW2 SOL 4529 10.170 26.950 15.890 1.00 0.00 H +ATOM 15161 OW SOL 4530 6.020 15.220 21.480 1.00 0.00 O +ATOM 15162 HW1 SOL 4530 5.880 14.950 20.570 1.00 0.00 H +ATOM 15163 HW2 SOL 4530 5.150 15.140 21.880 1.00 0.00 H +ATOM 15164 OW SOL 4531 1.760 2.720 5.880 1.00 0.00 O +ATOM 15165 HW1 SOL 4531 1.890 3.560 6.330 1.00 0.00 H +ATOM 15166 HW2 SOL 4531 1.170 2.230 6.450 1.00 0.00 H +ATOM 15167 OW SOL 4532 7.090 25.970 9.430 1.00 0.00 O +ATOM 15168 HW1 SOL 4532 6.260 26.340 9.720 1.00 0.00 H +ATOM 15169 HW2 SOL 4532 7.020 25.030 9.610 1.00 0.00 H +ATOM 15170 OW SOL 4533 52.190 26.780 6.450 1.00 0.00 O +ATOM 15171 HW1 SOL 4533 52.140 26.070 7.100 1.00 0.00 H +ATOM 15172 HW2 SOL 4533 52.840 27.380 6.800 1.00 0.00 H +ATOM 15173 OW SOL 4534 63.620 47.690 4.350 1.00 0.00 O +ATOM 15174 HW1 SOL 4534 63.220 46.950 3.910 1.00 0.00 H +ATOM 15175 HW2 SOL 4534 62.910 48.330 4.440 1.00 0.00 H +ATOM 15176 OW SOL 4535 61.420 45.010 9.470 1.00 0.00 O +ATOM 15177 HW1 SOL 4535 61.090 45.540 8.740 1.00 0.00 H +ATOM 15178 HW2 SOL 4535 60.750 44.350 9.600 1.00 0.00 H +ATOM 15179 OW SOL 4536 56.130 28.030 53.380 1.00 0.00 O +ATOM 15180 HW1 SOL 4536 55.540 28.730 53.110 1.00 0.00 H +ATOM 15181 HW2 SOL 4536 55.630 27.520 54.020 1.00 0.00 H +ATOM 15182 OW SOL 4537 51.820 9.840 45.170 1.00 0.00 O +ATOM 15183 HW1 SOL 4537 50.910 10.100 45.310 1.00 0.00 H +ATOM 15184 HW2 SOL 4537 52.270 10.110 45.960 1.00 0.00 H +ATOM 15185 OW SOL 4538 28.140 60.540 32.920 1.00 0.00 O +ATOM 15186 HW1 SOL 4538 27.300 60.750 33.330 1.00 0.00 H +ATOM 15187 HW2 SOL 4538 27.910 60.310 32.020 1.00 0.00 H +ATOM 15188 OW SOL 4539 40.160 24.490 44.410 1.00 0.00 O +ATOM 15189 HW1 SOL 4539 40.190 24.770 43.500 1.00 0.00 H +ATOM 15190 HW2 SOL 4539 40.300 23.540 44.370 1.00 0.00 H +ATOM 15191 OW SOL 4540 46.470 41.230 38.300 1.00 0.00 O +ATOM 15192 HW1 SOL 4540 46.770 41.250 39.210 1.00 0.00 H +ATOM 15193 HW2 SOL 4540 45.610 41.640 38.320 1.00 0.00 H +ATOM 15194 OW SOL 4541 19.400 60.590 35.420 1.00 0.00 O +ATOM 15195 HW1 SOL 4541 19.900 61.330 35.750 1.00 0.00 H +ATOM 15196 HW2 SOL 4541 19.740 59.830 35.890 1.00 0.00 H +ATOM 15197 OW SOL 4542 36.690 21.550 12.780 1.00 0.00 O +ATOM 15198 HW1 SOL 4542 35.790 21.440 12.470 1.00 0.00 H +ATOM 15199 HW2 SOL 4542 36.610 21.720 13.720 1.00 0.00 H +ATOM 15200 OW SOL 4543 17.830 38.710 50.200 1.00 0.00 O +ATOM 15201 HW1 SOL 4543 18.280 38.050 50.730 1.00 0.00 H +ATOM 15202 HW2 SOL 4543 17.220 38.210 49.650 1.00 0.00 H +ATOM 15203 OW SOL 4544 51.050 59.740 8.220 1.00 0.00 O +ATOM 15204 HW1 SOL 4544 50.560 60.560 8.260 1.00 0.00 H +ATOM 15205 HW2 SOL 4544 51.140 59.470 9.130 1.00 0.00 H +ATOM 15206 OW SOL 4545 8.150 33.440 29.880 1.00 0.00 O +ATOM 15207 HW1 SOL 4545 8.000 32.880 29.110 1.00 0.00 H +ATOM 15208 HW2 SOL 4545 7.320 33.390 30.370 1.00 0.00 H +ATOM 15209 OW SOL 4546 21.020 2.790 11.020 1.00 0.00 O +ATOM 15210 HW1 SOL 4546 20.690 2.960 10.140 1.00 0.00 H +ATOM 15211 HW2 SOL 4546 20.310 3.070 11.600 1.00 0.00 H +ATOM 15212 OW SOL 4547 8.680 21.410 28.870 1.00 0.00 O +ATOM 15213 HW1 SOL 4547 7.850 21.090 28.530 1.00 0.00 H +ATOM 15214 HW2 SOL 4547 9.170 20.610 29.090 1.00 0.00 H +ATOM 15215 OW SOL 4548 57.850 56.910 19.360 1.00 0.00 O +ATOM 15216 HW1 SOL 4548 57.320 56.130 19.190 1.00 0.00 H +ATOM 15217 HW2 SOL 4548 58.740 56.580 19.460 1.00 0.00 H +ATOM 15218 OW SOL 4549 26.870 3.760 35.330 1.00 0.00 O +ATOM 15219 HW1 SOL 4549 27.600 4.310 35.070 1.00 0.00 H +ATOM 15220 HW2 SOL 4549 26.960 3.690 36.280 1.00 0.00 H +ATOM 15221 OW SOL 4550 60.290 48.670 10.290 1.00 0.00 O +ATOM 15222 HW1 SOL 4550 60.290 48.090 11.060 1.00 0.00 H +ATOM 15223 HW2 SOL 4550 61.210 48.680 10.000 1.00 0.00 H +ATOM 15224 OW SOL 4551 55.750 2.510 26.820 1.00 0.00 O +ATOM 15225 HW1 SOL 4551 56.670 2.710 26.960 1.00 0.00 H +ATOM 15226 HW2 SOL 4551 55.300 3.350 26.940 1.00 0.00 H +ATOM 15227 OW SOL 4552 53.570 21.980 7.270 1.00 0.00 O +ATOM 15228 HW1 SOL 4552 53.620 21.680 8.180 1.00 0.00 H +ATOM 15229 HW2 SOL 4552 53.670 22.930 7.320 1.00 0.00 H +ATOM 15230 OW SOL 4553 35.930 2.160 46.270 1.00 0.00 O +ATOM 15231 HW1 SOL 4553 35.770 1.250 46.530 1.00 0.00 H +ATOM 15232 HW2 SOL 4553 35.740 2.170 45.330 1.00 0.00 H +ATOM 15233 OW SOL 4554 56.530 37.250 12.840 1.00 0.00 O +ATOM 15234 HW1 SOL 4554 55.770 36.960 12.340 1.00 0.00 H +ATOM 15235 HW2 SOL 4554 56.830 38.040 12.390 1.00 0.00 H +ATOM 15236 OW SOL 4555 8.610 10.040 2.550 1.00 0.00 O +ATOM 15237 HW1 SOL 4555 9.380 9.480 2.460 1.00 0.00 H +ATOM 15238 HW2 SOL 4555 8.920 10.920 2.360 1.00 0.00 H +ATOM 15239 OW SOL 4556 0.870 33.430 40.610 1.00 0.00 O +ATOM 15240 HW1 SOL 4556 0.990 34.080 39.910 1.00 0.00 H +ATOM 15241 HW2 SOL 4556 -0.070 33.390 40.740 1.00 0.00 H +ATOM 15242 OW SOL 4557 50.010 11.430 35.580 1.00 0.00 O +ATOM 15243 HW1 SOL 4557 49.790 12.160 34.990 1.00 0.00 H +ATOM 15244 HW2 SOL 4557 49.170 11.120 35.900 1.00 0.00 H +ATOM 15245 OW SOL 4558 51.910 23.870 21.270 1.00 0.00 O +ATOM 15246 HW1 SOL 4558 52.560 23.220 21.000 1.00 0.00 H +ATOM 15247 HW2 SOL 4558 52.390 24.460 21.850 1.00 0.00 H +ATOM 15248 OW SOL 4559 17.990 26.950 51.660 1.00 0.00 O +ATOM 15249 HW1 SOL 4559 17.140 26.910 52.110 1.00 0.00 H +ATOM 15250 HW2 SOL 4559 18.530 26.290 52.100 1.00 0.00 H +ATOM 15251 OW SOL 4560 18.040 19.280 49.050 1.00 0.00 O +ATOM 15252 HW1 SOL 4560 17.990 19.460 48.110 1.00 0.00 H +ATOM 15253 HW2 SOL 4560 17.800 18.350 49.130 1.00 0.00 H +ATOM 15254 OW SOL 4561 18.490 59.460 40.490 1.00 0.00 O +ATOM 15255 HW1 SOL 4561 19.320 59.300 40.940 1.00 0.00 H +ATOM 15256 HW2 SOL 4561 18.460 60.410 40.370 1.00 0.00 H +ATOM 15257 OW SOL 4562 5.660 36.720 28.680 1.00 0.00 O +ATOM 15258 HW1 SOL 4562 5.830 35.860 28.300 1.00 0.00 H +ATOM 15259 HW2 SOL 4562 6.410 37.250 28.420 1.00 0.00 H +ATOM 15260 OW SOL 4563 57.520 51.930 42.050 1.00 0.00 O +ATOM 15261 HW1 SOL 4563 57.310 52.100 42.960 1.00 0.00 H +ATOM 15262 HW2 SOL 4563 57.910 51.050 42.050 1.00 0.00 H +ATOM 15263 OW SOL 4564 49.660 11.000 42.720 1.00 0.00 O +ATOM 15264 HW1 SOL 4564 50.290 11.430 42.150 1.00 0.00 H +ATOM 15265 HW2 SOL 4564 48.820 11.400 42.500 1.00 0.00 H +ATOM 15266 OW SOL 4565 17.840 30.780 30.160 1.00 0.00 O +ATOM 15267 HW1 SOL 4565 17.720 30.610 29.220 1.00 0.00 H +ATOM 15268 HW2 SOL 4565 18.690 31.220 30.210 1.00 0.00 H +ATOM 15269 OW SOL 4566 63.840 33.290 46.740 1.00 0.00 O +ATOM 15270 HW1 SOL 4566 64.000 32.790 45.940 1.00 0.00 H +ATOM 15271 HW2 SOL 4566 64.670 33.250 47.210 1.00 0.00 H +ATOM 15272 OW SOL 4567 30.830 11.670 1.000 1.00 0.00 O +ATOM 15273 HW1 SOL 4567 30.750 11.630 0.040 1.00 0.00 H +ATOM 15274 HW2 SOL 4567 30.090 11.150 1.320 1.00 0.00 H +ATOM 15275 OW SOL 4568 3.780 16.920 17.200 1.00 0.00 O +ATOM 15276 HW1 SOL 4568 2.960 17.100 17.650 1.00 0.00 H +ATOM 15277 HW2 SOL 4568 3.810 17.570 16.500 1.00 0.00 H +ATOM 15278 OW SOL 4569 50.000 29.650 46.560 1.00 0.00 O +ATOM 15279 HW1 SOL 4569 49.490 30.070 47.260 1.00 0.00 H +ATOM 15280 HW2 SOL 4569 50.470 28.950 47.010 1.00 0.00 H +ATOM 15281 OW SOL 4570 3.950 51.240 26.840 1.00 0.00 O +ATOM 15282 HW1 SOL 4570 4.040 51.760 26.040 1.00 0.00 H +ATOM 15283 HW2 SOL 4570 3.010 51.090 26.920 1.00 0.00 H +ATOM 15284 OW SOL 4571 16.960 42.660 12.100 1.00 0.00 O +ATOM 15285 HW1 SOL 4571 17.620 42.780 12.780 1.00 0.00 H +ATOM 15286 HW2 SOL 4571 17.280 41.910 11.580 1.00 0.00 H +ATOM 15287 OW SOL 4572 54.790 51.230 36.500 1.00 0.00 O +ATOM 15288 HW1 SOL 4572 54.300 51.030 37.300 1.00 0.00 H +ATOM 15289 HW2 SOL 4572 55.350 50.470 36.370 1.00 0.00 H +ATOM 15290 OW SOL 4573 23.090 49.000 42.090 1.00 0.00 O +ATOM 15291 HW1 SOL 4573 22.850 49.750 41.550 1.00 0.00 H +ATOM 15292 HW2 SOL 4573 22.440 48.330 41.860 1.00 0.00 H +ATOM 15293 OW SOL 4574 25.700 17.480 27.070 1.00 0.00 O +ATOM 15294 HW1 SOL 4574 26.090 16.840 27.670 1.00 0.00 H +ATOM 15295 HW2 SOL 4574 25.720 17.040 26.220 1.00 0.00 H +ATOM 15296 OW SOL 4575 4.570 6.720 22.920 1.00 0.00 O +ATOM 15297 HW1 SOL 4575 4.860 7.450 23.470 1.00 0.00 H +ATOM 15298 HW2 SOL 4575 3.820 6.360 23.390 1.00 0.00 H +ATOM 15299 OW SOL 4576 49.030 1.780 28.170 1.00 0.00 O +ATOM 15300 HW1 SOL 4576 49.060 2.130 29.060 1.00 0.00 H +ATOM 15301 HW2 SOL 4576 48.120 1.900 27.900 1.00 0.00 H +ATOM 15302 OW SOL 4577 56.280 39.350 0.420 1.00 0.00 O +ATOM 15303 HW1 SOL 4577 56.720 38.750 1.020 1.00 0.00 H +ATOM 15304 HW2 SOL 4577 56.630 40.220 0.650 1.00 0.00 H +ATOM 15305 OW SOL 4578 0.660 26.780 33.140 1.00 0.00 O +ATOM 15306 HW1 SOL 4578 1.600 26.610 33.160 1.00 0.00 H +ATOM 15307 HW2 SOL 4578 0.530 27.550 33.690 1.00 0.00 H +ATOM 15308 OW SOL 4579 40.830 29.740 15.640 1.00 0.00 O +ATOM 15309 HW1 SOL 4579 40.860 29.170 14.870 1.00 0.00 H +ATOM 15310 HW2 SOL 4579 41.540 30.370 15.490 1.00 0.00 H +ATOM 15311 OW SOL 4580 40.470 37.110 8.920 1.00 0.00 O +ATOM 15312 HW1 SOL 4580 40.500 36.910 7.980 1.00 0.00 H +ATOM 15313 HW2 SOL 4580 39.650 37.600 9.030 1.00 0.00 H +ATOM 15314 OW SOL 4581 6.910 53.680 47.580 1.00 0.00 O +ATOM 15315 HW1 SOL 4581 7.040 53.640 46.630 1.00 0.00 H +ATOM 15316 HW2 SOL 4581 7.600 53.110 47.930 1.00 0.00 H +ATOM 15317 OW SOL 4582 23.430 29.600 15.340 1.00 0.00 O +ATOM 15318 HW1 SOL 4582 22.800 29.590 16.060 1.00 0.00 H +ATOM 15319 HW2 SOL 4582 22.880 29.560 14.550 1.00 0.00 H +ATOM 15320 OW SOL 4583 41.390 32.700 19.270 1.00 0.00 O +ATOM 15321 HW1 SOL 4583 41.490 31.980 18.650 1.00 0.00 H +ATOM 15322 HW2 SOL 4583 41.760 33.460 18.810 1.00 0.00 H +ATOM 15323 OW SOL 4584 46.680 5.060 47.000 1.00 0.00 O +ATOM 15324 HW1 SOL 4584 46.370 4.170 46.800 1.00 0.00 H +ATOM 15325 HW2 SOL 4584 46.130 5.630 46.470 1.00 0.00 H +ATOM 15326 OW SOL 4585 26.650 17.920 7.070 1.00 0.00 O +ATOM 15327 HW1 SOL 4585 26.750 17.100 6.580 1.00 0.00 H +ATOM 15328 HW2 SOL 4585 27.050 17.740 7.920 1.00 0.00 H +ATOM 15329 OW SOL 4586 21.120 18.400 40.390 1.00 0.00 O +ATOM 15330 HW1 SOL 4586 20.530 18.550 41.120 1.00 0.00 H +ATOM 15331 HW2 SOL 4586 21.690 17.690 40.690 1.00 0.00 H +ATOM 15332 OW SOL 4587 30.940 0.640 49.330 1.00 0.00 O +ATOM 15333 HW1 SOL 4587 31.160 1.140 50.110 1.00 0.00 H +ATOM 15334 HW2 SOL 4587 30.180 1.080 48.960 1.00 0.00 H +ATOM 15335 OW SOL 4588 19.020 23.900 29.420 1.00 0.00 O +ATOM 15336 HW1 SOL 4588 18.810 23.320 30.160 1.00 0.00 H +ATOM 15337 HW2 SOL 4588 19.660 24.520 29.780 1.00 0.00 H +ATOM 15338 OW SOL 4589 12.140 44.320 40.340 1.00 0.00 O +ATOM 15339 HW1 SOL 4589 11.330 44.110 39.870 1.00 0.00 H +ATOM 15340 HW2 SOL 4589 12.810 44.380 39.660 1.00 0.00 H +ATOM 15341 OW SOL 4590 65.250 1.630 17.400 1.00 0.00 O +ATOM 15342 HW1 SOL 4590 65.030 0.720 17.210 1.00 0.00 H +ATOM 15343 HW2 SOL 4590 66.170 1.600 17.670 1.00 0.00 H +ATOM 15344 OW SOL 4591 35.240 15.690 29.600 1.00 0.00 O +ATOM 15345 HW1 SOL 4591 35.350 14.950 30.200 1.00 0.00 H +ATOM 15346 HW2 SOL 4591 35.210 15.300 28.730 1.00 0.00 H +ATOM 15347 OW SOL 4592 48.580 36.720 15.690 1.00 0.00 O +ATOM 15348 HW1 SOL 4592 47.930 36.310 15.130 1.00 0.00 H +ATOM 15349 HW2 SOL 4592 49.190 37.150 15.090 1.00 0.00 H +ATOM 15350 OW SOL 4593 53.890 45.550 45.180 1.00 0.00 O +ATOM 15351 HW1 SOL 4593 53.970 44.820 44.560 1.00 0.00 H +ATOM 15352 HW2 SOL 4593 53.470 46.250 44.680 1.00 0.00 H +ATOM 15353 OW SOL 4594 28.920 43.560 9.090 1.00 0.00 O +ATOM 15354 HW1 SOL 4594 29.550 42.840 9.110 1.00 0.00 H +ATOM 15355 HW2 SOL 4594 28.570 43.590 9.990 1.00 0.00 H +ATOM 15356 OW SOL 4595 26.080 26.490 35.480 1.00 0.00 O +ATOM 15357 HW1 SOL 4595 25.650 25.890 36.090 1.00 0.00 H +ATOM 15358 HW2 SOL 4595 26.890 26.050 35.230 1.00 0.00 H +ATOM 15359 OW SOL 4596 43.750 40.870 14.890 1.00 0.00 O +ATOM 15360 HW1 SOL 4596 44.280 40.150 15.230 1.00 0.00 H +ATOM 15361 HW2 SOL 4596 44.120 41.650 15.290 1.00 0.00 H +ATOM 15362 OW SOL 4597 11.230 24.340 23.860 1.00 0.00 O +ATOM 15363 HW1 SOL 4597 11.100 24.660 24.750 1.00 0.00 H +ATOM 15364 HW2 SOL 4597 10.360 24.060 23.580 1.00 0.00 H +ATOM 15365 OW SOL 4598 55.270 20.230 20.280 1.00 0.00 O +ATOM 15366 HW1 SOL 4598 54.880 19.520 19.770 1.00 0.00 H +ATOM 15367 HW2 SOL 4598 55.870 20.660 19.680 1.00 0.00 H +ATOM 15368 OW SOL 4599 3.850 30.410 46.950 1.00 0.00 O +ATOM 15369 HW1 SOL 4599 3.440 29.980 47.700 1.00 0.00 H +ATOM 15370 HW2 SOL 4599 4.230 31.210 47.310 1.00 0.00 H +ATOM 15371 OW SOL 4600 26.460 28.000 2.290 1.00 0.00 O +ATOM 15372 HW1 SOL 4600 26.670 27.120 2.610 1.00 0.00 H +ATOM 15373 HW2 SOL 4600 25.970 28.410 3.000 1.00 0.00 H +ATOM 15374 OW SOL 4601 4.250 21.290 30.860 1.00 0.00 O +ATOM 15375 HW1 SOL 4601 3.890 22.130 30.580 1.00 0.00 H +ATOM 15376 HW2 SOL 4601 3.590 20.650 30.600 1.00 0.00 H +ATOM 15377 OW SOL 4602 27.170 22.180 53.090 1.00 0.00 O +ATOM 15378 HW1 SOL 4602 26.430 22.550 52.600 1.00 0.00 H +ATOM 15379 HW2 SOL 4602 27.940 22.370 52.560 1.00 0.00 H +ATOM 15380 OW SOL 4603 5.200 59.720 23.110 1.00 0.00 O +ATOM 15381 HW1 SOL 4603 4.620 60.270 23.640 1.00 0.00 H +ATOM 15382 HW2 SOL 4603 5.750 60.340 22.640 1.00 0.00 H +ATOM 15383 OW SOL 4604 48.350 8.010 43.590 1.00 0.00 O +ATOM 15384 HW1 SOL 4604 49.300 8.100 43.480 1.00 0.00 H +ATOM 15385 HW2 SOL 4604 48.240 7.140 43.960 1.00 0.00 H +ATOM 15386 OW SOL 4605 53.950 16.460 42.480 1.00 0.00 O +ATOM 15387 HW1 SOL 4605 53.790 15.520 42.550 1.00 0.00 H +ATOM 15388 HW2 SOL 4605 54.470 16.670 43.260 1.00 0.00 H +ATOM 15389 OW SOL 4606 57.230 2.670 39.040 1.00 0.00 O +ATOM 15390 HW1 SOL 4606 57.480 3.580 38.850 1.00 0.00 H +ATOM 15391 HW2 SOL 4606 56.360 2.750 39.450 1.00 0.00 H +ATOM 15392 OW SOL 4607 46.260 31.370 42.610 1.00 0.00 O +ATOM 15393 HW1 SOL 4607 45.770 31.260 43.420 1.00 0.00 H +ATOM 15394 HW2 SOL 4607 45.690 31.910 42.060 1.00 0.00 H +ATOM 15395 OW SOL 4608 31.030 6.700 23.550 1.00 0.00 O +ATOM 15396 HW1 SOL 4608 31.090 6.450 24.470 1.00 0.00 H +ATOM 15397 HW2 SOL 4608 31.540 7.510 23.480 1.00 0.00 H +ATOM 15398 OW SOL 4609 53.940 31.490 18.660 1.00 0.00 O +ATOM 15399 HW1 SOL 4609 53.340 32.190 18.420 1.00 0.00 H +ATOM 15400 HW2 SOL 4609 53.420 30.900 19.200 1.00 0.00 H +ATOM 15401 OW SOL 4610 20.630 19.110 44.500 1.00 0.00 O +ATOM 15402 HW1 SOL 4610 20.730 19.680 45.270 1.00 0.00 H +ATOM 15403 HW2 SOL 4610 21.050 19.590 43.790 1.00 0.00 H +ATOM 15404 OW SOL 4611 43.130 13.660 29.400 1.00 0.00 O +ATOM 15405 HW1 SOL 4611 42.420 13.860 28.790 1.00 0.00 H +ATOM 15406 HW2 SOL 4611 43.400 12.770 29.180 1.00 0.00 H +ATOM 15407 OW SOL 4612 24.010 25.430 31.730 1.00 0.00 O +ATOM 15408 HW1 SOL 4612 24.260 26.000 31.000 1.00 0.00 H +ATOM 15409 HW2 SOL 4612 24.840 25.080 32.060 1.00 0.00 H +ATOM 15410 OW SOL 4613 16.270 26.020 18.700 1.00 0.00 O +ATOM 15411 HW1 SOL 4613 16.940 25.940 19.370 1.00 0.00 H +ATOM 15412 HW2 SOL 4613 15.460 25.720 19.120 1.00 0.00 H +ATOM 15413 OW SOL 4614 27.060 0.470 18.290 1.00 0.00 O +ATOM 15414 HW1 SOL 4614 27.700 -0.230 18.150 1.00 0.00 H +ATOM 15415 HW2 SOL 4614 27.550 1.280 18.180 1.00 0.00 H +ATOM 15416 OW SOL 4615 52.560 14.220 11.630 1.00 0.00 O +ATOM 15417 HW1 SOL 4615 52.320 14.080 10.710 1.00 0.00 H +ATOM 15418 HW2 SOL 4615 53.200 13.520 11.820 1.00 0.00 H +ATOM 15419 OW SOL 4616 5.970 4.950 32.190 1.00 0.00 O +ATOM 15420 HW1 SOL 4616 6.130 4.790 33.120 1.00 0.00 H +ATOM 15421 HW2 SOL 4616 6.830 5.130 31.830 1.00 0.00 H +ATOM 15422 OW SOL 4617 57.310 22.640 21.000 1.00 0.00 O +ATOM 15423 HW1 SOL 4617 57.240 22.100 20.210 1.00 0.00 H +ATOM 15424 HW2 SOL 4617 58.220 22.940 21.000 1.00 0.00 H +ATOM 15425 OW SOL 4618 0.920 49.100 43.070 1.00 0.00 O +ATOM 15426 HW1 SOL 4618 0.270 48.410 43.200 1.00 0.00 H +ATOM 15427 HW2 SOL 4618 1.660 48.840 43.620 1.00 0.00 H +ATOM 15428 OW SOL 4619 49.430 34.360 47.220 1.00 0.00 O +ATOM 15429 HW1 SOL 4619 49.430 35.040 46.540 1.00 0.00 H +ATOM 15430 HW2 SOL 4619 48.510 34.170 47.370 1.00 0.00 H +ATOM 15431 OW SOL 4620 63.310 50.340 1.490 1.00 0.00 O +ATOM 15432 HW1 SOL 4620 62.960 49.450 1.450 1.00 0.00 H +ATOM 15433 HW2 SOL 4620 62.530 50.900 1.450 1.00 0.00 H +ATOM 15434 OW SOL 4621 51.050 13.390 43.930 1.00 0.00 O +ATOM 15435 HW1 SOL 4621 50.290 12.900 43.600 1.00 0.00 H +ATOM 15436 HW2 SOL 4621 50.700 14.260 44.120 1.00 0.00 H +ATOM 15437 OW SOL 4622 64.400 28.730 20.430 1.00 0.00 O +ATOM 15438 HW1 SOL 4622 65.130 29.240 20.080 1.00 0.00 H +ATOM 15439 HW2 SOL 4622 64.170 29.160 21.250 1.00 0.00 H +ATOM 15440 OW SOL 4623 35.560 29.160 48.690 1.00 0.00 O +ATOM 15441 HW1 SOL 4623 34.790 29.340 48.150 1.00 0.00 H +ATOM 15442 HW2 SOL 4623 35.760 28.240 48.520 1.00 0.00 H +ATOM 15443 OW SOL 4624 64.230 11.310 39.270 1.00 0.00 O +ATOM 15444 HW1 SOL 4624 63.360 10.940 39.420 1.00 0.00 H +ATOM 15445 HW2 SOL 4624 64.660 11.250 40.120 1.00 0.00 H +ATOM 15446 OW SOL 4625 45.070 59.950 50.620 1.00 0.00 O +ATOM 15447 HW1 SOL 4625 44.950 60.640 49.970 1.00 0.00 H +ATOM 15448 HW2 SOL 4625 46.020 59.840 50.680 1.00 0.00 H +ATOM 15449 OW SOL 4626 2.290 22.550 25.270 1.00 0.00 O +ATOM 15450 HW1 SOL 4626 2.600 21.690 25.580 1.00 0.00 H +ATOM 15451 HW2 SOL 4626 1.860 22.350 24.440 1.00 0.00 H +ATOM 15452 OW SOL 4627 62.950 0.690 31.460 1.00 0.00 O +ATOM 15453 HW1 SOL 4627 62.030 0.690 31.750 1.00 0.00 H +ATOM 15454 HW2 SOL 4627 63.360 -0.020 31.970 1.00 0.00 H +ATOM 15455 OW SOL 4628 49.260 4.630 13.900 1.00 0.00 O +ATOM 15456 HW1 SOL 4628 48.640 5.090 14.460 1.00 0.00 H +ATOM 15457 HW2 SOL 4628 48.880 3.760 13.780 1.00 0.00 H +ATOM 15458 OW SOL 4629 6.250 22.720 14.570 1.00 0.00 O +ATOM 15459 HW1 SOL 4629 5.340 22.990 14.610 1.00 0.00 H +ATOM 15460 HW2 SOL 4629 6.620 23.200 13.830 1.00 0.00 H +ATOM 15461 OW SOL 4630 47.410 12.880 13.560 1.00 0.00 O +ATOM 15462 HW1 SOL 4630 47.150 12.600 12.680 1.00 0.00 H +ATOM 15463 HW2 SOL 4630 47.770 13.760 13.430 1.00 0.00 H +ATOM 15464 OW SOL 4631 29.330 59.780 9.800 1.00 0.00 O +ATOM 15465 HW1 SOL 4631 29.250 60.720 9.640 1.00 0.00 H +ATOM 15466 HW2 SOL 4631 28.470 59.420 9.570 1.00 0.00 H +ATOM 15467 OW SOL 4632 64.800 22.870 35.900 1.00 0.00 O +ATOM 15468 HW1 SOL 4632 64.450 22.880 36.790 1.00 0.00 H +ATOM 15469 HW2 SOL 4632 65.460 23.560 35.900 1.00 0.00 H +ATOM 15470 OW SOL 4633 13.010 49.210 43.720 1.00 0.00 O +ATOM 15471 HW1 SOL 4633 12.760 49.050 42.820 1.00 0.00 H +ATOM 15472 HW2 SOL 4633 12.930 48.360 44.150 1.00 0.00 H +ATOM 15473 OW SOL 4634 60.060 28.950 15.230 1.00 0.00 O +ATOM 15474 HW1 SOL 4634 59.150 29.250 15.240 1.00 0.00 H +ATOM 15475 HW2 SOL 4634 60.570 29.750 15.090 1.00 0.00 H +ATOM 15476 OW SOL 4635 60.910 15.100 48.440 1.00 0.00 O +ATOM 15477 HW1 SOL 4635 60.110 15.490 48.800 1.00 0.00 H +ATOM 15478 HW2 SOL 4635 60.680 14.180 48.300 1.00 0.00 H +ATOM 15479 OW SOL 4636 56.770 57.430 30.790 1.00 0.00 O +ATOM 15480 HW1 SOL 4636 55.980 56.920 30.970 1.00 0.00 H +ATOM 15481 HW2 SOL 4636 57.490 56.830 30.990 1.00 0.00 H +ATOM 15482 OW SOL 4637 32.510 61.510 6.380 1.00 0.00 O +ATOM 15483 HW1 SOL 4637 31.660 61.220 6.700 1.00 0.00 H +ATOM 15484 HW2 SOL 4637 32.990 60.700 6.200 1.00 0.00 H +ATOM 15485 OW SOL 4638 60.540 42.660 15.410 1.00 0.00 O +ATOM 15486 HW1 SOL 4638 60.010 41.930 15.710 1.00 0.00 H +ATOM 15487 HW2 SOL 4638 60.070 43.440 15.700 1.00 0.00 H +ATOM 15488 OW SOL 4639 36.250 57.270 52.540 1.00 0.00 O +ATOM 15489 HW1 SOL 4639 35.980 58.180 52.520 1.00 0.00 H +ATOM 15490 HW2 SOL 4639 35.630 56.820 51.960 1.00 0.00 H +ATOM 15491 OW SOL 4640 38.970 43.650 2.290 1.00 0.00 O +ATOM 15492 HW1 SOL 4640 39.760 43.910 1.830 1.00 0.00 H +ATOM 15493 HW2 SOL 4640 38.270 44.160 1.880 1.00 0.00 H +ATOM 15494 OW SOL 4641 44.400 57.060 39.970 1.00 0.00 O +ATOM 15495 HW1 SOL 4641 45.030 57.780 39.970 1.00 0.00 H +ATOM 15496 HW2 SOL 4641 44.370 56.770 39.060 1.00 0.00 H +ATOM 15497 OW SOL 4642 38.930 0.340 11.070 1.00 0.00 O +ATOM 15498 HW1 SOL 4642 39.600 1.010 11.190 1.00 0.00 H +ATOM 15499 HW2 SOL 4642 38.100 0.800 11.240 1.00 0.00 H +ATOM 15500 OW SOL 4643 29.200 51.110 3.770 1.00 0.00 O +ATOM 15501 HW1 SOL 4643 29.880 51.310 3.130 1.00 0.00 H +ATOM 15502 HW2 SOL 4643 29.680 50.870 4.560 1.00 0.00 H +ATOM 15503 OW SOL 4644 53.750 56.880 10.390 1.00 0.00 O +ATOM 15504 HW1 SOL 4644 54.280 57.680 10.390 1.00 0.00 H +ATOM 15505 HW2 SOL 4644 53.350 56.850 9.520 1.00 0.00 H +ATOM 15506 OW SOL 4645 26.810 56.160 0.770 1.00 0.00 O +ATOM 15507 HW1 SOL 4645 27.770 56.190 0.750 1.00 0.00 H +ATOM 15508 HW2 SOL 4645 26.560 57.010 1.130 1.00 0.00 H +ATOM 15509 OW SOL 4646 19.910 43.850 40.590 1.00 0.00 O +ATOM 15510 HW1 SOL 4646 20.680 44.160 41.070 1.00 0.00 H +ATOM 15511 HW2 SOL 4646 19.460 44.640 40.320 1.00 0.00 H +ATOM 15512 OW SOL 4647 51.310 28.000 32.760 1.00 0.00 O +ATOM 15513 HW1 SOL 4647 51.800 27.480 33.400 1.00 0.00 H +ATOM 15514 HW2 SOL 4647 50.710 28.530 33.290 1.00 0.00 H +ATOM 15515 OW SOL 4648 58.690 33.760 47.350 1.00 0.00 O +ATOM 15516 HW1 SOL 4648 58.400 34.580 47.760 1.00 0.00 H +ATOM 15517 HW2 SOL 4648 59.540 33.980 46.960 1.00 0.00 H +ATOM 15518 OW SOL 4649 1.090 33.760 50.840 1.00 0.00 O +ATOM 15519 HW1 SOL 4649 0.890 34.670 51.030 1.00 0.00 H +ATOM 15520 HW2 SOL 4649 1.090 33.710 49.880 1.00 0.00 H +ATOM 15521 OW SOL 4650 36.720 34.550 5.180 1.00 0.00 O +ATOM 15522 HW1 SOL 4650 37.160 33.730 4.930 1.00 0.00 H +ATOM 15523 HW2 SOL 4650 35.990 34.630 4.560 1.00 0.00 H +ATOM 15524 OW SOL 4651 23.990 34.380 8.860 1.00 0.00 O +ATOM 15525 HW1 SOL 4651 24.870 34.530 9.190 1.00 0.00 H +ATOM 15526 HW2 SOL 4651 23.670 35.260 8.620 1.00 0.00 H +ATOM 15527 OW SOL 4652 32.640 25.820 46.820 1.00 0.00 O +ATOM 15528 HW1 SOL 4652 33.380 25.270 47.090 1.00 0.00 H +ATOM 15529 HW2 SOL 4652 32.860 26.690 47.150 1.00 0.00 H +ATOM 15530 OW SOL 4653 45.250 29.760 9.690 1.00 0.00 O +ATOM 15531 HW1 SOL 4653 45.820 29.010 9.530 1.00 0.00 H +ATOM 15532 HW2 SOL 4653 44.450 29.560 9.190 1.00 0.00 H +ATOM 15533 OW SOL 4654 46.800 49.020 45.220 1.00 0.00 O +ATOM 15534 HW1 SOL 4654 47.220 49.830 45.510 1.00 0.00 H +ATOM 15535 HW2 SOL 4654 46.010 49.310 44.770 1.00 0.00 H +ATOM 15536 OW SOL 4655 53.590 46.820 30.370 1.00 0.00 O +ATOM 15537 HW1 SOL 4655 54.180 46.080 30.490 1.00 0.00 H +ATOM 15538 HW2 SOL 4655 53.520 46.930 29.420 1.00 0.00 H +ATOM 15539 OW SOL 4656 31.810 25.070 32.500 1.00 0.00 O +ATOM 15540 HW1 SOL 4656 31.730 24.590 33.320 1.00 0.00 H +ATOM 15541 HW2 SOL 4656 30.920 25.100 32.140 1.00 0.00 H +ATOM 15542 OW SOL 4657 7.170 61.480 21.850 1.00 0.00 O +ATOM 15543 HW1 SOL 4657 7.380 62.230 21.300 1.00 0.00 H +ATOM 15544 HW2 SOL 4657 7.870 61.450 22.500 1.00 0.00 H +ATOM 15545 OW SOL 4658 44.420 14.020 37.930 1.00 0.00 O +ATOM 15546 HW1 SOL 4658 45.220 14.370 38.300 1.00 0.00 H +ATOM 15547 HW2 SOL 4658 43.750 14.670 38.150 1.00 0.00 H +ATOM 15548 OW SOL 4659 32.690 29.640 10.320 1.00 0.00 O +ATOM 15549 HW1 SOL 4659 32.650 28.980 9.630 1.00 0.00 H +ATOM 15550 HW2 SOL 4659 33.490 29.430 10.810 1.00 0.00 H +ATOM 15551 OW SOL 4660 52.930 29.520 1.210 1.00 0.00 O +ATOM 15552 HW1 SOL 4660 53.420 29.550 2.030 1.00 0.00 H +ATOM 15553 HW2 SOL 4660 52.990 28.610 0.930 1.00 0.00 H +ATOM 15554 OW SOL 4661 10.030 35.400 5.260 1.00 0.00 O +ATOM 15555 HW1 SOL 4661 10.440 36.180 5.640 1.00 0.00 H +ATOM 15556 HW2 SOL 4661 10.450 34.670 5.720 1.00 0.00 H +ATOM 15557 OW SOL 4662 22.200 32.090 32.810 1.00 0.00 O +ATOM 15558 HW1 SOL 4662 22.310 31.250 33.260 1.00 0.00 H +ATOM 15559 HW2 SOL 4662 22.990 32.580 33.020 1.00 0.00 H +ATOM 15560 OW SOL 4663 50.400 6.290 5.490 1.00 0.00 O +ATOM 15561 HW1 SOL 4663 50.120 6.730 6.300 1.00 0.00 H +ATOM 15562 HW2 SOL 4663 50.930 5.550 5.800 1.00 0.00 H +ATOM 15563 OW SOL 4664 33.460 44.070 12.410 1.00 0.00 O +ATOM 15564 HW1 SOL 4664 32.900 43.410 12.820 1.00 0.00 H +ATOM 15565 HW2 SOL 4664 32.920 44.430 11.700 1.00 0.00 H +ATOM 15566 OW SOL 4665 58.700 38.480 50.520 1.00 0.00 O +ATOM 15567 HW1 SOL 4665 58.260 37.820 51.060 1.00 0.00 H +ATOM 15568 HW2 SOL 4665 58.090 38.630 49.800 1.00 0.00 H +ATOM 15569 OW SOL 4666 45.850 59.780 8.090 1.00 0.00 O +ATOM 15570 HW1 SOL 4666 45.110 59.170 8.070 1.00 0.00 H +ATOM 15571 HW2 SOL 4666 46.540 59.300 8.550 1.00 0.00 H +ATOM 15572 OW SOL 4667 25.170 0.630 7.900 1.00 0.00 O +ATOM 15573 HW1 SOL 4667 24.620 1.150 7.320 1.00 0.00 H +ATOM 15574 HW2 SOL 4667 24.640 -0.140 8.100 1.00 0.00 H +ATOM 15575 OW SOL 4668 51.700 53.040 8.700 1.00 0.00 O +ATOM 15576 HW1 SOL 4668 51.520 53.950 8.930 1.00 0.00 H +ATOM 15577 HW2 SOL 4668 51.420 52.960 7.790 1.00 0.00 H +ATOM 15578 OW SOL 4669 43.470 18.780 48.270 1.00 0.00 O +ATOM 15579 HW1 SOL 4669 42.850 18.230 47.800 1.00 0.00 H +ATOM 15580 HW2 SOL 4669 43.840 19.360 47.600 1.00 0.00 H +ATOM 15581 OW SOL 4670 11.280 9.310 2.790 1.00 0.00 O +ATOM 15582 HW1 SOL 4670 11.210 8.440 2.410 1.00 0.00 H +ATOM 15583 HW2 SOL 4670 11.830 9.800 2.180 1.00 0.00 H +ATOM 15584 OW SOL 4671 55.920 35.620 4.180 1.00 0.00 O +ATOM 15585 HW1 SOL 4671 56.340 35.550 5.040 1.00 0.00 H +ATOM 15586 HW2 SOL 4671 55.990 34.740 3.810 1.00 0.00 H +ATOM 15587 OW SOL 4672 18.320 24.960 23.340 1.00 0.00 O +ATOM 15588 HW1 SOL 4672 17.750 24.410 23.870 1.00 0.00 H +ATOM 15589 HW2 SOL 4672 18.020 25.850 23.490 1.00 0.00 H +ATOM 15590 OW SOL 4673 43.910 0.040 2.480 1.00 0.00 O +ATOM 15591 HW1 SOL 4673 43.140 0.070 3.050 1.00 0.00 H +ATOM 15592 HW2 SOL 4673 43.550 -0.010 1.590 1.00 0.00 H +ATOM 15593 OW SOL 4674 3.390 2.540 12.720 1.00 0.00 O +ATOM 15594 HW1 SOL 4674 3.720 2.340 13.600 1.00 0.00 H +ATOM 15595 HW2 SOL 4674 3.040 3.430 12.790 1.00 0.00 H +ATOM 15596 OW SOL 4675 39.140 58.130 38.000 1.00 0.00 O +ATOM 15597 HW1 SOL 4675 38.200 58.030 38.130 1.00 0.00 H +ATOM 15598 HW2 SOL 4675 39.540 57.740 38.770 1.00 0.00 H +ATOM 15599 OW SOL 4676 3.790 51.050 34.860 1.00 0.00 O +ATOM 15600 HW1 SOL 4676 4.350 50.300 35.090 1.00 0.00 H +ATOM 15601 HW2 SOL 4676 4.220 51.800 35.250 1.00 0.00 H +ATOM 15602 OW SOL 4677 51.710 26.270 53.490 1.00 0.00 O +ATOM 15603 HW1 SOL 4677 51.990 26.620 54.340 1.00 0.00 H +ATOM 15604 HW2 SOL 4677 51.960 26.950 52.860 1.00 0.00 H +ATOM 15605 OW SOL 4678 46.690 39.180 20.120 1.00 0.00 O +ATOM 15606 HW1 SOL 4678 45.740 39.230 20.070 1.00 0.00 H +ATOM 15607 HW2 SOL 4678 46.980 39.070 19.220 1.00 0.00 H +ATOM 15608 OW SOL 4679 32.310 39.570 5.080 1.00 0.00 O +ATOM 15609 HW1 SOL 4679 31.820 38.840 5.460 1.00 0.00 H +ATOM 15610 HW2 SOL 4679 32.310 39.400 4.140 1.00 0.00 H +ATOM 15611 OW SOL 4680 42.830 24.650 21.060 1.00 0.00 O +ATOM 15612 HW1 SOL 4680 42.200 24.670 21.790 1.00 0.00 H +ATOM 15613 HW2 SOL 4680 43.650 24.960 21.440 1.00 0.00 H +ATOM 15614 OW SOL 4681 54.530 1.410 35.030 1.00 0.00 O +ATOM 15615 HW1 SOL 4681 55.300 1.360 34.460 1.00 0.00 H +ATOM 15616 HW2 SOL 4681 54.720 2.130 35.640 1.00 0.00 H +ATOM 15617 OW SOL 4682 50.150 50.440 44.010 1.00 0.00 O +ATOM 15618 HW1 SOL 4682 49.820 51.260 44.390 1.00 0.00 H +ATOM 15619 HW2 SOL 4682 50.950 50.700 43.550 1.00 0.00 H +ATOM 15620 OW SOL 4683 30.090 27.050 39.250 1.00 0.00 O +ATOM 15621 HW1 SOL 4683 29.760 27.810 39.730 1.00 0.00 H +ATOM 15622 HW2 SOL 4683 29.310 26.560 38.990 1.00 0.00 H +ATOM 15623 OW SOL 4684 7.360 52.770 5.100 1.00 0.00 O +ATOM 15624 HW1 SOL 4684 7.660 52.940 4.210 1.00 0.00 H +ATOM 15625 HW2 SOL 4684 6.870 53.550 5.350 1.00 0.00 H +ATOM 15626 OW SOL 4685 56.690 40.980 33.820 1.00 0.00 O +ATOM 15627 HW1 SOL 4685 55.950 40.770 33.260 1.00 0.00 H +ATOM 15628 HW2 SOL 4685 56.370 41.660 34.410 1.00 0.00 H +ATOM 15629 OW SOL 4686 9.710 57.540 44.310 1.00 0.00 O +ATOM 15630 HW1 SOL 4686 10.090 56.680 44.100 1.00 0.00 H +ATOM 15631 HW2 SOL 4686 9.340 57.850 43.490 1.00 0.00 H +ATOM 15632 OW SOL 4687 9.400 58.700 46.940 1.00 0.00 O +ATOM 15633 HW1 SOL 4687 8.450 58.640 47.020 1.00 0.00 H +ATOM 15634 HW2 SOL 4687 9.600 58.310 46.090 1.00 0.00 H +ATOM 15635 OW SOL 4688 20.070 9.730 7.270 1.00 0.00 O +ATOM 15636 HW1 SOL 4688 19.330 9.950 7.840 1.00 0.00 H +ATOM 15637 HW2 SOL 4688 20.600 10.520 7.250 1.00 0.00 H +ATOM 15638 OW SOL 4689 58.790 44.210 28.830 1.00 0.00 O +ATOM 15639 HW1 SOL 4689 59.690 44.450 28.620 1.00 0.00 H +ATOM 15640 HW2 SOL 4689 58.330 44.260 27.990 1.00 0.00 H +ATOM 15641 OW SOL 4690 25.880 22.960 25.210 1.00 0.00 O +ATOM 15642 HW1 SOL 4690 26.130 22.600 26.050 1.00 0.00 H +ATOM 15643 HW2 SOL 4690 25.210 22.370 24.870 1.00 0.00 H +ATOM 15644 OW SOL 4691 47.970 32.040 7.170 1.00 0.00 O +ATOM 15645 HW1 SOL 4691 48.310 31.290 6.670 1.00 0.00 H +ATOM 15646 HW2 SOL 4691 48.520 32.770 6.880 1.00 0.00 H +ATOM 15647 OW SOL 4692 43.400 20.840 16.680 1.00 0.00 O +ATOM 15648 HW1 SOL 4692 42.460 20.670 16.770 1.00 0.00 H +ATOM 15649 HW2 SOL 4692 43.720 20.130 16.130 1.00 0.00 H +ATOM 15650 OW SOL 4693 11.830 9.150 27.360 1.00 0.00 O +ATOM 15651 HW1 SOL 4693 12.060 8.350 26.880 1.00 0.00 H +ATOM 15652 HW2 SOL 4693 11.180 8.860 28.000 1.00 0.00 H +ATOM 15653 OW SOL 4694 32.770 22.480 16.980 1.00 0.00 O +ATOM 15654 HW1 SOL 4694 33.670 22.210 16.820 1.00 0.00 H +ATOM 15655 HW2 SOL 4694 32.740 23.400 16.730 1.00 0.00 H +ATOM 15656 OW SOL 4695 56.130 28.040 29.780 1.00 0.00 O +ATOM 15657 HW1 SOL 4695 55.360 27.860 29.250 1.00 0.00 H +ATOM 15658 HW2 SOL 4695 55.780 28.200 30.660 1.00 0.00 H +ATOM 15659 OW SOL 4696 41.140 28.490 34.230 1.00 0.00 O +ATOM 15660 HW1 SOL 4696 42.090 28.420 34.330 1.00 0.00 H +ATOM 15661 HW2 SOL 4696 40.810 27.610 34.380 1.00 0.00 H +ATOM 15662 OW SOL 4697 11.050 5.500 12.150 1.00 0.00 O +ATOM 15663 HW1 SOL 4697 10.700 4.730 11.700 1.00 0.00 H +ATOM 15664 HW2 SOL 4697 12.000 5.460 11.990 1.00 0.00 H +ATOM 15665 OW SOL 4698 53.140 9.880 18.410 1.00 0.00 O +ATOM 15666 HW1 SOL 4698 52.530 10.470 17.970 1.00 0.00 H +ATOM 15667 HW2 SOL 4698 53.850 9.750 17.780 1.00 0.00 H +ATOM 15668 OW SOL 4699 9.070 57.920 3.290 1.00 0.00 O +ATOM 15669 HW1 SOL 4699 8.320 58.320 2.860 1.00 0.00 H +ATOM 15670 HW2 SOL 4699 9.830 58.230 2.800 1.00 0.00 H +ATOM 15671 OW SOL 4700 47.200 34.730 1.610 1.00 0.00 O +ATOM 15672 HW1 SOL 4700 47.810 34.460 0.920 1.00 0.00 H +ATOM 15673 HW2 SOL 4700 47.080 33.950 2.150 1.00 0.00 H +ATOM 15674 OW SOL 4701 8.640 46.340 36.280 1.00 0.00 O +ATOM 15675 HW1 SOL 4701 9.250 46.780 35.690 1.00 0.00 H +ATOM 15676 HW2 SOL 4701 8.100 45.790 35.720 1.00 0.00 H +ATOM 15677 OW SOL 4702 27.810 52.650 7.530 1.00 0.00 O +ATOM 15678 HW1 SOL 4702 27.110 53.250 7.780 1.00 0.00 H +ATOM 15679 HW2 SOL 4702 28.060 52.220 8.340 1.00 0.00 H +ATOM 15680 OW SOL 4703 3.550 50.450 6.640 1.00 0.00 O +ATOM 15681 HW1 SOL 4703 3.000 50.680 5.890 1.00 0.00 H +ATOM 15682 HW2 SOL 4703 2.950 50.470 7.390 1.00 0.00 H +ATOM 15683 OW SOL 4704 54.960 4.410 39.420 1.00 0.00 O +ATOM 15684 HW1 SOL 4704 55.450 4.570 40.230 1.00 0.00 H +ATOM 15685 HW2 SOL 4704 54.620 5.270 39.180 1.00 0.00 H +ATOM 15686 OW SOL 4705 39.380 15.210 36.970 1.00 0.00 O +ATOM 15687 HW1 SOL 4705 38.970 14.360 37.120 1.00 0.00 H +ATOM 15688 HW2 SOL 4705 39.980 15.320 37.700 1.00 0.00 H +ATOM 15689 OW SOL 4706 27.830 1.560 31.990 1.00 0.00 O +ATOM 15690 HW1 SOL 4706 27.920 2.440 32.360 1.00 0.00 H +ATOM 15691 HW2 SOL 4706 28.700 1.360 31.640 1.00 0.00 H +ATOM 15692 OW SOL 4707 58.880 15.730 50.420 1.00 0.00 O +ATOM 15693 HW1 SOL 4707 58.230 16.260 49.960 1.00 0.00 H +ATOM 15694 HW2 SOL 4707 58.990 16.160 51.260 1.00 0.00 H +ATOM 15695 OW SOL 4708 34.410 3.410 48.970 1.00 0.00 O +ATOM 15696 HW1 SOL 4708 35.240 3.590 48.530 1.00 0.00 H +ATOM 15697 HW2 SOL 4708 34.630 3.430 49.900 1.00 0.00 H +ATOM 15698 OW SOL 4709 36.770 2.890 9.680 1.00 0.00 O +ATOM 15699 HW1 SOL 4709 36.550 3.650 9.140 1.00 0.00 H +ATOM 15700 HW2 SOL 4709 36.420 3.100 10.540 1.00 0.00 H +ATOM 15701 OW SOL 4710 56.270 11.720 2.950 1.00 0.00 O +ATOM 15702 HW1 SOL 4710 56.270 11.260 3.780 1.00 0.00 H +ATOM 15703 HW2 SOL 4710 57.130 11.530 2.570 1.00 0.00 H +ATOM 15704 OW SOL 4711 6.300 61.110 37.130 1.00 0.00 O +ATOM 15705 HW1 SOL 4711 6.720 61.180 37.990 1.00 0.00 H +ATOM 15706 HW2 SOL 4711 6.680 61.820 36.610 1.00 0.00 H +ATOM 15707 OW SOL 4712 5.570 41.420 43.280 1.00 0.00 O +ATOM 15708 HW1 SOL 4712 6.180 40.700 43.450 1.00 0.00 H +ATOM 15709 HW2 SOL 4712 5.920 42.160 43.770 1.00 0.00 H +ATOM 15710 OW SOL 4713 55.790 15.760 5.830 1.00 0.00 O +ATOM 15711 HW1 SOL 4713 55.980 15.700 4.890 1.00 0.00 H +ATOM 15712 HW2 SOL 4713 56.620 15.560 6.260 1.00 0.00 H +ATOM 15713 OW SOL 4714 12.630 41.670 38.450 1.00 0.00 O +ATOM 15714 HW1 SOL 4714 13.190 41.480 39.200 1.00 0.00 H +ATOM 15715 HW2 SOL 4714 12.820 42.580 38.220 1.00 0.00 H +ATOM 15716 OW SOL 4715 52.430 17.000 33.370 1.00 0.00 O +ATOM 15717 HW1 SOL 4715 52.860 17.690 33.890 1.00 0.00 H +ATOM 15718 HW2 SOL 4715 53.070 16.790 32.680 1.00 0.00 H +ATOM 15719 OW SOL 4716 54.220 52.980 9.540 1.00 0.00 O +ATOM 15720 HW1 SOL 4716 53.330 53.000 9.200 1.00 0.00 H +ATOM 15721 HW2 SOL 4716 54.300 53.790 10.050 1.00 0.00 H +ATOM 15722 OW SOL 4717 61.220 10.300 10.900 1.00 0.00 O +ATOM 15723 HW1 SOL 4717 60.690 10.950 10.430 1.00 0.00 H +ATOM 15724 HW2 SOL 4717 61.710 10.820 11.540 1.00 0.00 H +ATOM 15725 OW SOL 4718 2.990 41.070 42.320 1.00 0.00 O +ATOM 15726 HW1 SOL 4718 3.730 41.330 42.870 1.00 0.00 H +ATOM 15727 HW2 SOL 4718 3.000 41.690 41.600 1.00 0.00 H +ATOM 15728 OW SOL 4719 14.650 10.140 43.450 1.00 0.00 O +ATOM 15729 HW1 SOL 4719 14.700 10.890 42.870 1.00 0.00 H +ATOM 15730 HW2 SOL 4719 15.530 9.760 43.440 1.00 0.00 H +ATOM 15731 OW SOL 4720 6.260 25.690 52.380 1.00 0.00 O +ATOM 15732 HW1 SOL 4720 6.120 26.060 53.250 1.00 0.00 H +ATOM 15733 HW2 SOL 4720 6.820 24.930 52.520 1.00 0.00 H +ATOM 15734 OW SOL 4721 38.140 43.850 8.290 1.00 0.00 O +ATOM 15735 HW1 SOL 4721 38.870 43.620 7.720 1.00 0.00 H +ATOM 15736 HW2 SOL 4721 37.490 43.160 8.140 1.00 0.00 H +ATOM 15737 OW SOL 4722 24.010 30.470 52.510 1.00 0.00 O +ATOM 15738 HW1 SOL 4722 24.220 31.360 52.240 1.00 0.00 H +ATOM 15739 HW2 SOL 4722 23.800 30.020 51.700 1.00 0.00 H +ATOM 15740 OW SOL 4723 63.540 7.130 51.980 1.00 0.00 O +ATOM 15741 HW1 SOL 4723 63.820 6.870 51.100 1.00 0.00 H +ATOM 15742 HW2 SOL 4723 62.660 6.770 52.070 1.00 0.00 H +ATOM 15743 OW SOL 4724 41.980 20.590 22.310 1.00 0.00 O +ATOM 15744 HW1 SOL 4724 41.460 21.130 21.720 1.00 0.00 H +ATOM 15745 HW2 SOL 4724 41.370 19.920 22.630 1.00 0.00 H +ATOM 15746 OW SOL 4725 58.420 41.430 17.000 1.00 0.00 O +ATOM 15747 HW1 SOL 4725 58.950 41.790 17.710 1.00 0.00 H +ATOM 15748 HW2 SOL 4725 58.090 40.600 17.350 1.00 0.00 H +ATOM 15749 OW SOL 4726 42.320 35.630 5.890 1.00 0.00 O +ATOM 15750 HW1 SOL 4726 43.080 36.040 6.320 1.00 0.00 H +ATOM 15751 HW2 SOL 4726 42.500 35.730 4.960 1.00 0.00 H +ATOM 15752 OW SOL 4727 57.920 32.680 28.600 1.00 0.00 O +ATOM 15753 HW1 SOL 4727 57.820 31.780 28.920 1.00 0.00 H +ATOM 15754 HW2 SOL 4727 58.050 32.580 27.660 1.00 0.00 H +ATOM 15755 OW SOL 4728 24.740 7.540 1.520 1.00 0.00 O +ATOM 15756 HW1 SOL 4728 24.290 8.340 1.240 1.00 0.00 H +ATOM 15757 HW2 SOL 4728 25.670 7.730 1.400 1.00 0.00 H +ATOM 15758 OW SOL 4729 11.940 57.910 51.670 1.00 0.00 O +ATOM 15759 HW1 SOL 4729 12.850 57.650 51.840 1.00 0.00 H +ATOM 15760 HW2 SOL 4729 11.530 57.110 51.340 1.00 0.00 H +ATOM 15761 OW SOL 4730 58.730 32.390 1.760 1.00 0.00 O +ATOM 15762 HW1 SOL 4730 58.430 32.870 0.980 1.00 0.00 H +ATOM 15763 HW2 SOL 4730 58.490 31.480 1.590 1.00 0.00 H +ATOM 15764 OW SOL 4731 61.900 51.480 43.540 1.00 0.00 O +ATOM 15765 HW1 SOL 4731 61.550 50.800 42.970 1.00 0.00 H +ATOM 15766 HW2 SOL 4731 61.810 52.290 43.030 1.00 0.00 H +ATOM 15767 OW SOL 4732 18.070 21.870 35.140 1.00 0.00 O +ATOM 15768 HW1 SOL 4732 18.480 22.400 34.450 1.00 0.00 H +ATOM 15769 HW2 SOL 4732 17.610 21.180 34.660 1.00 0.00 H +ATOM 15770 OW SOL 4733 41.170 40.270 9.390 1.00 0.00 O +ATOM 15771 HW1 SOL 4733 41.460 39.720 10.110 1.00 0.00 H +ATOM 15772 HW2 SOL 4733 41.830 40.960 9.320 1.00 0.00 H +ATOM 15773 OW SOL 4734 45.240 26.830 18.760 1.00 0.00 O +ATOM 15774 HW1 SOL 4734 45.240 25.880 18.860 1.00 0.00 H +ATOM 15775 HW2 SOL 4734 44.590 27.140 19.380 1.00 0.00 H +ATOM 15776 OW SOL 4735 60.960 18.390 11.000 1.00 0.00 O +ATOM 15777 HW1 SOL 4735 61.200 17.490 11.230 1.00 0.00 H +ATOM 15778 HW2 SOL 4735 61.660 18.930 11.360 1.00 0.00 H +ATOM 15779 OW SOL 4736 1.100 44.410 38.270 1.00 0.00 O +ATOM 15780 HW1 SOL 4736 0.780 43.690 37.730 1.00 0.00 H +ATOM 15781 HW2 SOL 4736 0.560 45.160 38.010 1.00 0.00 H +ATOM 15782 OW SOL 4737 8.290 25.480 0.610 1.00 0.00 O +ATOM 15783 HW1 SOL 4737 7.870 25.890 -0.150 1.00 0.00 H +ATOM 15784 HW2 SOL 4737 8.160 24.540 0.470 1.00 0.00 H +ATOM 15785 OW SOL 4738 40.240 18.800 9.040 1.00 0.00 O +ATOM 15786 HW1 SOL 4738 40.470 17.880 9.140 1.00 0.00 H +ATOM 15787 HW2 SOL 4738 40.930 19.160 8.490 1.00 0.00 H +ATOM 15788 OW SOL 4739 28.460 14.740 24.680 1.00 0.00 O +ATOM 15789 HW1 SOL 4739 28.340 14.900 23.740 1.00 0.00 H +ATOM 15790 HW2 SOL 4739 27.770 15.250 25.100 1.00 0.00 H +ATOM 15791 OW SOL 4740 25.950 58.200 38.270 1.00 0.00 O +ATOM 15792 HW1 SOL 4740 25.460 58.230 39.090 1.00 0.00 H +ATOM 15793 HW2 SOL 4740 26.400 57.360 38.290 1.00 0.00 H +ATOM 15794 OW SOL 4741 8.970 8.480 48.170 1.00 0.00 O +ATOM 15795 HW1 SOL 4741 9.190 7.570 48.370 1.00 0.00 H +ATOM 15796 HW2 SOL 4741 9.800 8.890 47.930 1.00 0.00 H +ATOM 15797 OW SOL 4742 56.830 5.420 28.270 1.00 0.00 O +ATOM 15798 HW1 SOL 4742 55.930 5.170 28.080 1.00 0.00 H +ATOM 15799 HW2 SOL 4742 56.970 5.190 29.190 1.00 0.00 H +ATOM 15800 OW SOL 4743 26.250 54.100 41.370 1.00 0.00 O +ATOM 15801 HW1 SOL 4743 26.130 54.880 40.830 1.00 0.00 H +ATOM 15802 HW2 SOL 4743 26.280 53.370 40.740 1.00 0.00 H +ATOM 15803 OW SOL 4744 15.910 33.340 8.650 1.00 0.00 O +ATOM 15804 HW1 SOL 4744 16.480 32.760 8.140 1.00 0.00 H +ATOM 15805 HW2 SOL 4744 16.450 33.610 9.400 1.00 0.00 H +ATOM 15806 OW SOL 4745 16.340 18.870 24.530 1.00 0.00 O +ATOM 15807 HW1 SOL 4745 15.680 19.060 23.860 1.00 0.00 H +ATOM 15808 HW2 SOL 4745 15.900 19.040 25.360 1.00 0.00 H +ATOM 15809 OW SOL 4746 6.010 57.200 32.030 1.00 0.00 O +ATOM 15810 HW1 SOL 4746 6.300 58.010 31.600 1.00 0.00 H +ATOM 15811 HW2 SOL 4746 5.480 57.500 32.770 1.00 0.00 H +ATOM 15812 OW SOL 4747 42.660 57.170 46.430 1.00 0.00 O +ATOM 15813 HW1 SOL 4747 42.320 58.060 46.370 1.00 0.00 H +ATOM 15814 HW2 SOL 4747 43.150 57.150 47.250 1.00 0.00 H +ATOM 15815 OW SOL 4748 13.360 58.210 17.710 1.00 0.00 O +ATOM 15816 HW1 SOL 4748 12.600 57.630 17.710 1.00 0.00 H +ATOM 15817 HW2 SOL 4748 13.520 58.400 16.790 1.00 0.00 H +ATOM 15818 OW SOL 4749 63.080 31.880 52.200 1.00 0.00 O +ATOM 15819 HW1 SOL 4749 63.220 32.450 51.440 1.00 0.00 H +ATOM 15820 HW2 SOL 4749 62.590 32.430 52.820 1.00 0.00 H +ATOM 15821 OW SOL 4750 5.610 23.650 27.370 1.00 0.00 O +ATOM 15822 HW1 SOL 4750 5.440 24.250 26.640 1.00 0.00 H +ATOM 15823 HW2 SOL 4750 5.890 22.840 26.960 1.00 0.00 H +ATOM 15824 OW SOL 4751 20.910 47.050 10.500 1.00 0.00 O +ATOM 15825 HW1 SOL 4751 21.040 46.480 11.260 1.00 0.00 H +ATOM 15826 HW2 SOL 4751 21.730 47.540 10.430 1.00 0.00 H +ATOM 15827 OW SOL 4752 20.140 35.410 23.480 1.00 0.00 O +ATOM 15828 HW1 SOL 4752 20.740 36.130 23.630 1.00 0.00 H +ATOM 15829 HW2 SOL 4752 20.340 35.110 22.590 1.00 0.00 H +ATOM 15830 OW SOL 4753 62.710 39.850 11.900 1.00 0.00 O +ATOM 15831 HW1 SOL 4753 62.010 39.200 11.900 1.00 0.00 H +ATOM 15832 HW2 SOL 4753 62.350 40.590 11.410 1.00 0.00 H +ATOM 15833 OW SOL 4754 40.094 61.642 8.210 1.00 0.00 O +ATOM 15834 HW1 SOL 4754 41.044 61.662 8.320 1.00 0.00 H +ATOM 15835 HW2 SOL 4754 39.894 62.472 7.770 1.00 0.00 H +ATOM 15836 OW SOL 4755 52.520 21.800 42.610 1.00 0.00 O +ATOM 15837 HW1 SOL 4755 53.450 21.980 42.480 1.00 0.00 H +ATOM 15838 HW2 SOL 4755 52.350 21.010 42.100 1.00 0.00 H +ATOM 15839 OW SOL 4756 39.770 2.280 31.480 1.00 0.00 O +ATOM 15840 HW1 SOL 4756 40.020 3.200 31.550 1.00 0.00 H +ATOM 15841 HW2 SOL 4756 38.950 2.300 30.990 1.00 0.00 H +ATOM 15842 OW SOL 4757 45.340 18.400 30.820 1.00 0.00 O +ATOM 15843 HW1 SOL 4757 46.230 18.260 30.490 1.00 0.00 H +ATOM 15844 HW2 SOL 4757 44.800 17.800 30.320 1.00 0.00 H +ATOM 15845 OW SOL 4758 53.470 48.540 1.250 1.00 0.00 O +ATOM 15846 HW1 SOL 4758 52.660 48.430 0.730 1.00 0.00 H +ATOM 15847 HW2 SOL 4758 53.750 49.430 1.050 1.00 0.00 H +ATOM 15848 OW SOL 4759 55.170 52.240 23.770 1.00 0.00 O +ATOM 15849 HW1 SOL 4759 55.140 53.170 24.010 1.00 0.00 H +ATOM 15850 HW2 SOL 4759 54.730 52.190 22.920 1.00 0.00 H +ATOM 15851 OW SOL 4760 14.980 13.750 31.700 1.00 0.00 O +ATOM 15852 HW1 SOL 4760 15.260 13.270 32.480 1.00 0.00 H +ATOM 15853 HW2 SOL 4760 15.590 14.480 31.630 1.00 0.00 H +ATOM 15854 OW SOL 4761 12.710 31.440 4.300 1.00 0.00 O +ATOM 15855 HW1 SOL 4761 13.280 31.340 3.540 1.00 0.00 H +ATOM 15856 HW2 SOL 4761 12.840 32.350 4.570 1.00 0.00 H +ATOM 15857 OW SOL 4762 1.390 26.530 45.590 1.00 0.00 O +ATOM 15858 HW1 SOL 4762 1.820 26.270 44.770 1.00 0.00 H +ATOM 15859 HW2 SOL 4762 1.470 25.760 46.150 1.00 0.00 H +ATOM 15860 OW SOL 4763 46.820 57.750 46.960 1.00 0.00 O +ATOM 15861 HW1 SOL 4763 46.610 58.030 46.070 1.00 0.00 H +ATOM 15862 HW2 SOL 4763 47.610 57.220 46.870 1.00 0.00 H +ATOM 15863 OW SOL 4764 61.580 41.900 10.500 1.00 0.00 O +ATOM 15864 HW1 SOL 4764 62.100 42.700 10.470 1.00 0.00 H +ATOM 15865 HW2 SOL 4764 60.670 42.200 10.570 1.00 0.00 H +ATOM 15866 OW SOL 4765 49.450 18.220 41.730 1.00 0.00 O +ATOM 15867 HW1 SOL 4765 48.700 18.680 42.100 1.00 0.00 H +ATOM 15868 HW2 SOL 4765 49.670 18.700 40.940 1.00 0.00 H +ATOM 15869 OW SOL 4766 24.400 8.240 4.420 1.00 0.00 O +ATOM 15870 HW1 SOL 4766 25.290 8.220 4.760 1.00 0.00 H +ATOM 15871 HW2 SOL 4766 24.510 8.410 3.480 1.00 0.00 H +ATOM 15872 OW SOL 4767 49.480 14.850 16.810 1.00 0.00 O +ATOM 15873 HW1 SOL 4767 50.300 15.010 17.270 1.00 0.00 H +ATOM 15874 HW2 SOL 4767 48.810 15.270 17.360 1.00 0.00 H +ATOM 15875 OW SOL 4768 23.390 5.560 0.410 1.00 0.00 O +ATOM 15876 HW1 SOL 4768 23.680 6.470 0.550 1.00 0.00 H +ATOM 15877 HW2 SOL 4768 22.450 5.590 0.560 1.00 0.00 H +ATOM 15878 OW SOL 4769 62.810 36.780 9.450 1.00 0.00 O +ATOM 15879 HW1 SOL 4769 62.280 37.510 9.120 1.00 0.00 H +ATOM 15880 HW2 SOL 4769 62.260 36.010 9.300 1.00 0.00 H +ATOM 15881 OW SOL 4770 42.250 33.170 34.850 1.00 0.00 O +ATOM 15882 HW1 SOL 4770 41.710 33.730 35.410 1.00 0.00 H +ATOM 15883 HW2 SOL 4770 43.060 33.670 34.730 1.00 0.00 H +ATOM 15884 OW SOL 4771 6.270 59.240 15.410 1.00 0.00 O +ATOM 15885 HW1 SOL 4771 5.610 59.340 14.720 1.00 0.00 H +ATOM 15886 HW2 SOL 4771 5.760 59.180 16.220 1.00 0.00 H +ATOM 15887 OW SOL 4772 11.520 54.540 46.610 1.00 0.00 O +ATOM 15888 HW1 SOL 4772 10.970 53.930 46.120 1.00 0.00 H +ATOM 15889 HW2 SOL 4772 10.950 54.890 47.290 1.00 0.00 H +ATOM 15890 OW SOL 4773 59.890 7.220 24.950 1.00 0.00 O +ATOM 15891 HW1 SOL 4773 59.310 7.750 24.400 1.00 0.00 H +ATOM 15892 HW2 SOL 4773 60.770 7.390 24.600 1.00 0.00 H +ATOM 15893 OW SOL 4774 2.430 25.580 28.630 1.00 0.00 O +ATOM 15894 HW1 SOL 4774 2.460 26.280 29.280 1.00 0.00 H +ATOM 15895 HW2 SOL 4774 2.490 26.030 27.790 1.00 0.00 H +ATOM 15896 OW SOL 4775 45.040 3.520 0.370 1.00 0.00 O +ATOM 15897 HW1 SOL 4775 45.420 2.820 -0.160 1.00 0.00 H +ATOM 15898 HW2 SOL 4775 45.660 4.250 0.270 1.00 0.00 H +ATOM 15899 OW SOL 4776 54.810 14.430 34.190 1.00 0.00 O +ATOM 15900 HW1 SOL 4776 54.700 15.130 34.840 1.00 0.00 H +ATOM 15901 HW2 SOL 4776 54.780 13.630 34.710 1.00 0.00 H +ATOM 15902 OW SOL 4777 7.300 24.060 31.010 1.00 0.00 O +ATOM 15903 HW1 SOL 4777 8.070 24.550 30.730 1.00 0.00 H +ATOM 15904 HW2 SOL 4777 7.050 23.550 30.230 1.00 0.00 H +ATOM 15905 OW SOL 4778 4.930 7.580 32.970 1.00 0.00 O +ATOM 15906 HW1 SOL 4778 5.190 6.820 32.450 1.00 0.00 H +ATOM 15907 HW2 SOL 4778 5.740 8.070 33.110 1.00 0.00 H +ATOM 15908 OW SOL 4779 38.030 19.040 50.250 1.00 0.00 O +ATOM 15909 HW1 SOL 4779 38.940 18.900 49.990 1.00 0.00 H +ATOM 15910 HW2 SOL 4779 37.900 18.470 51.000 1.00 0.00 H +ATOM 15911 OW SOL 4780 42.110 51.500 40.750 1.00 0.00 O +ATOM 15912 HW1 SOL 4780 42.990 51.400 41.140 1.00 0.00 H +ATOM 15913 HW2 SOL 4780 41.510 51.250 41.450 1.00 0.00 H +ATOM 15914 OW SOL 4781 31.920 42.460 5.380 1.00 0.00 O +ATOM 15915 HW1 SOL 4781 31.620 42.520 6.290 1.00 0.00 H +ATOM 15916 HW2 SOL 4781 31.940 41.530 5.190 1.00 0.00 H +ATOM 15917 OW SOL 4782 63.670 23.050 38.380 1.00 0.00 O +ATOM 15918 HW1 SOL 4782 63.330 22.420 39.010 1.00 0.00 H +ATOM 15919 HW2 SOL 4782 63.730 23.870 38.870 1.00 0.00 H +ATOM 15920 OW SOL 4783 6.840 22.480 47.400 1.00 0.00 O +ATOM 15921 HW1 SOL 4783 6.210 22.440 46.670 1.00 0.00 H +ATOM 15922 HW2 SOL 4783 7.570 22.990 47.050 1.00 0.00 H +ATOM 15923 OW SOL 4784 52.470 22.880 24.630 1.00 0.00 O +ATOM 15924 HW1 SOL 4784 52.300 22.840 23.690 1.00 0.00 H +ATOM 15925 HW2 SOL 4784 52.110 22.070 24.980 1.00 0.00 H +ATOM 15926 OW SOL 4785 56.210 35.150 29.560 1.00 0.00 O +ATOM 15927 HW1 SOL 4785 55.890 34.690 30.340 1.00 0.00 H +ATOM 15928 HW2 SOL 4785 56.810 34.530 29.150 1.00 0.00 H +ATOM 15929 OW SOL 4786 60.670 21.180 35.820 1.00 0.00 O +ATOM 15930 HW1 SOL 4786 59.850 21.150 36.320 1.00 0.00 H +ATOM 15931 HW2 SOL 4786 60.390 21.200 34.910 1.00 0.00 H +ATOM 15932 OW SOL 4787 32.640 16.630 51.020 1.00 0.00 O +ATOM 15933 HW1 SOL 4787 32.430 15.890 51.590 1.00 0.00 H +ATOM 15934 HW2 SOL 4787 32.320 17.400 51.500 1.00 0.00 H +ATOM 15935 OW SOL 4788 17.860 7.980 39.210 1.00 0.00 O +ATOM 15936 HW1 SOL 4788 17.580 8.730 38.680 1.00 0.00 H +ATOM 15937 HW2 SOL 4788 18.430 7.470 38.630 1.00 0.00 H +ATOM 15938 OW SOL 4789 26.320 43.960 47.970 1.00 0.00 O +ATOM 15939 HW1 SOL 4789 26.070 43.100 48.300 1.00 0.00 H +ATOM 15940 HW2 SOL 4789 26.190 43.900 47.030 1.00 0.00 H +ATOM 15941 OW SOL 4790 7.280 1.010 9.500 1.00 0.00 O +ATOM 15942 HW1 SOL 4790 6.870 1.530 10.190 1.00 0.00 H +ATOM 15943 HW2 SOL 4790 6.550 0.630 9.010 1.00 0.00 H +ATOM 15944 OW SOL 4791 12.210 41.580 1.850 1.00 0.00 O +ATOM 15945 HW1 SOL 4791 12.410 42.470 2.150 1.00 0.00 H +ATOM 15946 HW2 SOL 4791 11.250 41.580 1.760 1.00 0.00 H +ATOM 15947 OW SOL 4792 22.360 8.180 50.080 1.00 0.00 O +ATOM 15948 HW1 SOL 4792 23.190 7.740 49.930 1.00 0.00 H +ATOM 15949 HW2 SOL 4792 22.200 8.080 51.020 1.00 0.00 H +ATOM 15950 OW SOL 4793 37.350 0.970 19.990 1.00 0.00 O +ATOM 15951 HW1 SOL 4793 36.940 0.610 20.780 1.00 0.00 H +ATOM 15952 HW2 SOL 4793 36.710 0.800 19.300 1.00 0.00 H +ATOM 15953 OW SOL 4794 19.999 61.652 6.740 1.00 0.00 O +ATOM 15954 HW1 SOL 4794 20.639 62.172 7.220 1.00 0.00 H +ATOM 15955 HW2 SOL 4794 19.669 62.242 6.060 1.00 0.00 H +ATOM 15956 OW SOL 4795 29.810 22.990 25.230 1.00 0.00 O +ATOM 15957 HW1 SOL 4795 30.600 22.820 24.710 1.00 0.00 H +ATOM 15958 HW2 SOL 4795 29.530 22.120 25.530 1.00 0.00 H +ATOM 15959 OW SOL 4796 56.500 2.210 51.040 1.00 0.00 O +ATOM 15960 HW1 SOL 4796 56.770 1.670 50.290 1.00 0.00 H +ATOM 15961 HW2 SOL 4796 57.100 2.960 51.020 1.00 0.00 H +ATOM 15962 OW SOL 4797 26.530 14.160 15.840 1.00 0.00 O +ATOM 15963 HW1 SOL 4797 25.880 13.470 15.960 1.00 0.00 H +ATOM 15964 HW2 SOL 4797 27.360 13.760 16.090 1.00 0.00 H +ATOM 15965 OW SOL 4798 22.750 36.750 8.340 1.00 0.00 O +ATOM 15966 HW1 SOL 4798 22.260 37.340 7.770 1.00 0.00 H +ATOM 15967 HW2 SOL 4798 22.160 36.580 9.070 1.00 0.00 H +ATOM 15968 OW SOL 4799 17.590 5.040 25.880 1.00 0.00 O +ATOM 15969 HW1 SOL 4799 17.320 4.440 25.190 1.00 0.00 H +ATOM 15970 HW2 SOL 4799 17.420 5.910 25.510 1.00 0.00 H +ATOM 15971 OW SOL 4800 33.120 51.290 9.430 1.00 0.00 O +ATOM 15972 HW1 SOL 4800 32.400 51.910 9.530 1.00 0.00 H +ATOM 15973 HW2 SOL 4800 33.300 50.990 10.320 1.00 0.00 H +ATOM 15974 OW SOL 4801 19.970 48.250 5.420 1.00 0.00 O +ATOM 15975 HW1 SOL 4801 20.620 48.870 5.080 1.00 0.00 H +ATOM 15976 HW2 SOL 4801 19.540 47.910 4.630 1.00 0.00 H +ATOM 15977 OW SOL 4802 51.960 3.050 36.650 1.00 0.00 O +ATOM 15978 HW1 SOL 4802 51.500 3.350 37.430 1.00 0.00 H +ATOM 15979 HW2 SOL 4802 51.980 2.100 36.720 1.00 0.00 H +ATOM 15980 OW SOL 4803 46.370 33.880 44.650 1.00 0.00 O +ATOM 15981 HW1 SOL 4803 46.820 33.780 43.810 1.00 0.00 H +ATOM 15982 HW2 SOL 4803 46.150 34.810 44.700 1.00 0.00 H +ATOM 15983 OW SOL 4804 53.100 2.590 29.710 1.00 0.00 O +ATOM 15984 HW1 SOL 4804 53.190 3.150 28.930 1.00 0.00 H +ATOM 15985 HW2 SOL 4804 52.440 3.040 30.240 1.00 0.00 H +ATOM 15986 OW SOL 4805 40.950 3.070 42.480 1.00 0.00 O +ATOM 15987 HW1 SOL 4805 40.010 3.220 42.570 1.00 0.00 H +ATOM 15988 HW2 SOL 4805 41.200 2.650 43.310 1.00 0.00 H +ATOM 15989 OW SOL 4806 49.330 11.790 24.180 1.00 0.00 O +ATOM 15990 HW1 SOL 4806 49.940 11.890 23.450 1.00 0.00 H +ATOM 15991 HW2 SOL 4806 49.850 12.010 24.960 1.00 0.00 H +ATOM 15992 OW SOL 4807 35.400 7.130 7.310 1.00 0.00 O +ATOM 15993 HW1 SOL 4807 35.260 7.030 6.370 1.00 0.00 H +ATOM 15994 HW2 SOL 4807 34.770 6.540 7.710 1.00 0.00 H +ATOM 15995 OW SOL 4808 37.580 2.310 36.930 1.00 0.00 O +ATOM 15996 HW1 SOL 4808 37.730 1.360 36.900 1.00 0.00 H +ATOM 15997 HW2 SOL 4808 37.780 2.610 36.050 1.00 0.00 H +ATOM 15998 OW SOL 4809 8.749 61.692 27.680 1.00 0.00 O +ATOM 15999 HW1 SOL 4809 8.769 62.132 26.830 1.00 0.00 H +ATOM 16000 HW2 SOL 4809 8.599 62.402 28.310 1.00 0.00 H +ATOM 16001 OW SOL 4810 63.150 48.180 47.600 1.00 0.00 O +ATOM 16002 HW1 SOL 4810 63.980 48.570 47.840 1.00 0.00 H +ATOM 16003 HW2 SOL 4810 62.570 48.360 48.340 1.00 0.00 H +ATOM 16004 OW SOL 4811 28.110 1.640 27.900 1.00 0.00 O +ATOM 16005 HW1 SOL 4811 27.260 1.660 28.340 1.00 0.00 H +ATOM 16006 HW2 SOL 4811 28.400 0.730 27.980 1.00 0.00 H +ATOM 16007 OW SOL 4812 31.340 49.960 5.210 1.00 0.00 O +ATOM 16008 HW1 SOL 4812 31.140 49.100 5.590 1.00 0.00 H +ATOM 16009 HW2 SOL 4812 31.940 49.770 4.490 1.00 0.00 H +ATOM 16010 OW SOL 4813 8.430 26.500 44.030 1.00 0.00 O +ATOM 16011 HW1 SOL 4813 8.610 27.440 43.950 1.00 0.00 H +ATOM 16012 HW2 SOL 4813 7.540 26.450 44.360 1.00 0.00 H +ATOM 16013 OW SOL 4814 64.920 38.450 13.160 1.00 0.00 O +ATOM 16014 HW1 SOL 4814 65.180 38.940 13.950 1.00 0.00 H +ATOM 16015 HW2 SOL 4814 65.640 38.580 12.550 1.00 0.00 H +ATOM 16016 OW SOL 4815 18.360 0.580 41.970 1.00 0.00 O +ATOM 16017 HW1 SOL 4815 17.420 0.760 41.920 1.00 0.00 H +ATOM 16018 HW2 SOL 4815 18.430 -0.370 41.880 1.00 0.00 H +ATOM 16019 OW SOL 4816 45.220 43.020 51.770 1.00 0.00 O +ATOM 16020 HW1 SOL 4816 45.690 42.300 52.190 1.00 0.00 H +ATOM 16021 HW2 SOL 4816 44.300 42.780 51.840 1.00 0.00 H +ATOM 16022 OW SOL 4817 24.290 28.400 35.870 1.00 0.00 O +ATOM 16023 HW1 SOL 4817 24.950 27.740 35.670 1.00 0.00 H +ATOM 16024 HW2 SOL 4817 24.620 28.820 36.680 1.00 0.00 H +ATOM 16025 OW SOL 4818 21.150 36.770 20.450 1.00 0.00 O +ATOM 16026 HW1 SOL 4818 21.970 37.250 20.390 1.00 0.00 H +ATOM 16027 HW2 SOL 4818 21.170 36.170 19.710 1.00 0.00 H +ATOM 16028 OW SOL 4819 32.380 19.910 5.030 1.00 0.00 O +ATOM 16029 HW1 SOL 4819 32.360 20.850 4.910 1.00 0.00 H +ATOM 16030 HW2 SOL 4819 31.620 19.730 5.590 1.00 0.00 H +ATOM 16031 OW SOL 4820 15.180 59.520 12.880 1.00 0.00 O +ATOM 16032 HW1 SOL 4820 15.320 59.470 11.940 1.00 0.00 H +ATOM 16033 HW2 SOL 4820 15.860 60.110 13.190 1.00 0.00 H +ATOM 16034 OW SOL 4821 2.520 34.110 0.970 1.00 0.00 O +ATOM 16035 HW1 SOL 4821 2.940 34.190 1.830 1.00 0.00 H +ATOM 16036 HW2 SOL 4821 3.250 34.110 0.350 1.00 0.00 H +ATOM 16037 OW SOL 4822 8.820 53.260 11.610 1.00 0.00 O +ATOM 16038 HW1 SOL 4822 7.990 53.470 11.180 1.00 0.00 H +ATOM 16039 HW2 SOL 4822 9.440 53.170 10.880 1.00 0.00 H +ATOM 16040 OW SOL 4823 51.600 53.280 6.120 1.00 0.00 O +ATOM 16041 HW1 SOL 4823 51.660 52.690 5.360 1.00 0.00 H +ATOM 16042 HW2 SOL 4823 52.100 54.050 5.850 1.00 0.00 H +ATOM 16043 OW SOL 4824 9.320 8.710 18.710 1.00 0.00 O +ATOM 16044 HW1 SOL 4824 9.250 8.960 19.630 1.00 0.00 H +ATOM 16045 HW2 SOL 4824 8.610 9.190 18.280 1.00 0.00 H +ATOM 16046 OW SOL 4825 24.220 36.690 52.720 1.00 0.00 O +ATOM 16047 HW1 SOL 4825 24.860 37.300 53.080 1.00 0.00 H +ATOM 16048 HW2 SOL 4825 23.520 37.250 52.390 1.00 0.00 H +ATOM 16049 OW SOL 4826 42.650 8.080 52.880 1.00 0.00 O +ATOM 16050 HW1 SOL 4826 41.710 7.950 53.040 1.00 0.00 H +ATOM 16051 HW2 SOL 4826 42.820 7.650 52.040 1.00 0.00 H +ATOM 16052 OW SOL 4827 0.560 55.630 39.950 1.00 0.00 O +ATOM 16053 HW1 SOL 4827 -0.010 54.880 40.160 1.00 0.00 H +ATOM 16054 HW2 SOL 4827 0.870 55.940 40.800 1.00 0.00 H +ATOM 16055 OW SOL 4828 59.190 55.590 49.760 1.00 0.00 O +ATOM 16056 HW1 SOL 4828 59.600 56.120 49.080 1.00 0.00 H +ATOM 16057 HW2 SOL 4828 59.920 55.250 50.270 1.00 0.00 H +ATOM 16058 OW SOL 4829 32.200 45.440 50.650 1.00 0.00 O +ATOM 16059 HW1 SOL 4829 32.390 45.300 49.720 1.00 0.00 H +ATOM 16060 HW2 SOL 4829 32.780 44.820 51.100 1.00 0.00 H +ATOM 16061 OW SOL 4830 6.920 20.900 36.570 1.00 0.00 O +ATOM 16062 HW1 SOL 4830 6.400 21.590 36.990 1.00 0.00 H +ATOM 16063 HW2 SOL 4830 6.590 20.090 36.940 1.00 0.00 H +ATOM 16064 OW SOL 4831 37.050 6.180 22.230 1.00 0.00 O +ATOM 16065 HW1 SOL 4831 37.900 6.620 22.280 1.00 0.00 H +ATOM 16066 HW2 SOL 4831 36.650 6.350 23.080 1.00 0.00 H +ATOM 16067 OW SOL 4832 6.490 41.250 46.870 1.00 0.00 O +ATOM 16068 HW1 SOL 4832 5.980 40.720 47.470 1.00 0.00 H +ATOM 16069 HW2 SOL 4832 5.880 41.920 46.560 1.00 0.00 H +ATOM 16070 OW SOL 4833 58.510 49.050 22.150 1.00 0.00 O +ATOM 16071 HW1 SOL 4833 59.060 49.740 21.770 1.00 0.00 H +ATOM 16072 HW2 SOL 4833 58.090 49.470 22.900 1.00 0.00 H +ATOM 16073 OW SOL 4834 13.550 34.100 13.450 1.00 0.00 O +ATOM 16074 HW1 SOL 4834 14.070 34.390 14.210 1.00 0.00 H +ATOM 16075 HW2 SOL 4834 14.060 33.390 13.070 1.00 0.00 H +ATOM 16076 OW SOL 4835 50.320 5.560 11.300 1.00 0.00 O +ATOM 16077 HW1 SOL 4835 49.770 5.520 12.090 1.00 0.00 H +ATOM 16078 HW2 SOL 4835 50.960 4.860 11.420 1.00 0.00 H +ATOM 16079 OW SOL 4836 19.510 52.000 49.640 1.00 0.00 O +ATOM 16080 HW1 SOL 4836 18.940 52.130 48.880 1.00 0.00 H +ATOM 16081 HW2 SOL 4836 20.390 52.010 49.270 1.00 0.00 H +ATOM 16082 OW SOL 4837 57.420 36.550 47.130 1.00 0.00 O +ATOM 16083 HW1 SOL 4837 58.170 36.930 47.600 1.00 0.00 H +ATOM 16084 HW2 SOL 4837 56.710 36.570 47.770 1.00 0.00 H +ATOM 16085 OW SOL 4838 4.970 9.350 39.380 1.00 0.00 O +ATOM 16086 HW1 SOL 4838 5.340 10.190 39.110 1.00 0.00 H +ATOM 16087 HW2 SOL 4838 5.460 8.700 38.890 1.00 0.00 H +ATOM 16088 OW SOL 4839 2.170 3.000 35.510 1.00 0.00 O +ATOM 16089 HW1 SOL 4839 2.580 3.210 36.340 1.00 0.00 H +ATOM 16090 HW2 SOL 4839 2.900 2.750 34.940 1.00 0.00 H +ATOM 16091 OW SOL 4840 6.960 11.670 39.110 1.00 0.00 O +ATOM 16092 HW1 SOL 4840 7.310 12.020 39.930 1.00 0.00 H +ATOM 16093 HW2 SOL 4840 6.490 12.400 38.720 1.00 0.00 H +ATOM 16094 OW SOL 4841 58.620 0.700 0.440 1.00 0.00 O +ATOM 16095 HW1 SOL 4841 59.320 1.210 0.010 1.00 0.00 H +ATOM 16096 HW2 SOL 4841 58.240 0.170 -0.260 1.00 0.00 H +ATOM 16097 OW SOL 4842 61.260 40.490 32.810 1.00 0.00 O +ATOM 16098 HW1 SOL 4842 61.630 40.980 32.080 1.00 0.00 H +ATOM 16099 HW2 SOL 4842 61.970 40.420 33.440 1.00 0.00 H +ATOM 16100 OW SOL 4843 57.120 54.520 47.660 1.00 0.00 O +ATOM 16101 HW1 SOL 4843 57.910 54.140 47.280 1.00 0.00 H +ATOM 16102 HW2 SOL 4843 57.430 55.270 48.170 1.00 0.00 H +ATOM 16103 OW SOL 4844 40.140 23.820 18.070 1.00 0.00 O +ATOM 16104 HW1 SOL 4844 39.470 24.200 18.630 1.00 0.00 H +ATOM 16105 HW2 SOL 4844 39.650 23.340 17.400 1.00 0.00 H +ATOM 16106 OW SOL 4845 22.620 29.370 12.570 1.00 0.00 O +ATOM 16107 HW1 SOL 4845 22.200 28.640 12.100 1.00 0.00 H +ATOM 16108 HW2 SOL 4845 23.530 29.340 12.290 1.00 0.00 H +ATOM 16109 OW SOL 4846 49.290 4.270 3.900 1.00 0.00 O +ATOM 16110 HW1 SOL 4846 49.580 5.050 4.360 1.00 0.00 H +ATOM 16111 HW2 SOL 4846 48.380 4.150 4.170 1.00 0.00 H +ATOM 16112 OW SOL 4847 37.520 60.660 40.070 1.00 0.00 O +ATOM 16113 HW1 SOL 4847 36.870 59.980 40.280 1.00 0.00 H +ATOM 16114 HW2 SOL 4847 38.360 60.210 40.110 1.00 0.00 H +ATOM 16115 OW SOL 4848 60.950 25.300 24.670 1.00 0.00 O +ATOM 16116 HW1 SOL 4848 61.680 24.820 24.280 1.00 0.00 H +ATOM 16117 HW2 SOL 4848 61.120 25.250 25.620 1.00 0.00 H +ATOM 16118 OW SOL 4849 56.730 6.690 24.060 1.00 0.00 O +ATOM 16119 HW1 SOL 4849 57.340 7.250 23.570 1.00 0.00 H +ATOM 16120 HW2 SOL 4849 57.210 5.880 24.210 1.00 0.00 H +ATOM 16121 OW SOL 4850 7.030 51.280 52.710 1.00 0.00 O +ATOM 16122 HW1 SOL 4850 7.430 51.390 53.570 1.00 0.00 H +ATOM 16123 HW2 SOL 4850 6.630 52.130 52.510 1.00 0.00 H +ATOM 16124 OW SOL 4851 16.140 39.740 8.780 1.00 0.00 O +ATOM 16125 HW1 SOL 4851 15.250 39.570 9.090 1.00 0.00 H +ATOM 16126 HW2 SOL 4851 16.400 40.530 9.240 1.00 0.00 H +ATOM 16127 OW SOL 4852 59.440 6.100 44.590 1.00 0.00 O +ATOM 16128 HW1 SOL 4852 59.910 6.870 44.290 1.00 0.00 H +ATOM 16129 HW2 SOL 4852 59.910 5.360 44.200 1.00 0.00 H +ATOM 16130 OW SOL 4853 13.240 55.270 52.800 1.00 0.00 O +ATOM 16131 HW1 SOL 4853 13.800 56.040 52.830 1.00 0.00 H +ATOM 16132 HW2 SOL 4853 12.820 55.300 51.940 1.00 0.00 H +ATOM 16133 OW SOL 4854 3.040 46.720 22.270 1.00 0.00 O +ATOM 16134 HW1 SOL 4854 2.690 47.600 22.440 1.00 0.00 H +ATOM 16135 HW2 SOL 4854 2.300 46.210 21.960 1.00 0.00 H +ATOM 16136 OW SOL 4855 29.020 12.550 26.220 1.00 0.00 O +ATOM 16137 HW1 SOL 4855 29.300 11.840 25.640 1.00 0.00 H +ATOM 16138 HW2 SOL 4855 28.720 13.240 25.630 1.00 0.00 H +ATOM 16139 OW SOL 4856 45.090 1.060 17.020 1.00 0.00 O +ATOM 16140 HW1 SOL 4856 45.500 1.690 17.610 1.00 0.00 H +ATOM 16141 HW2 SOL 4856 45.070 0.240 17.520 1.00 0.00 H +ATOM 16142 OW SOL 4857 44.610 57.740 48.330 1.00 0.00 O +ATOM 16143 HW1 SOL 4857 45.380 57.750 47.760 1.00 0.00 H +ATOM 16144 HW2 SOL 4857 44.850 58.280 49.080 1.00 0.00 H +ATOM 16145 OW SOL 4858 14.860 31.910 12.370 1.00 0.00 O +ATOM 16146 HW1 SOL 4858 14.970 31.950 11.420 1.00 0.00 H +ATOM 16147 HW2 SOL 4858 15.740 31.730 12.700 1.00 0.00 H +ATOM 16148 OW SOL 4859 55.760 0.300 13.320 1.00 0.00 O +ATOM 16149 HW1 SOL 4859 55.920 -0.540 13.750 1.00 0.00 H +ATOM 16150 HW2 SOL 4859 55.210 0.790 13.930 1.00 0.00 H +ATOM 16151 OW SOL 4860 5.490 22.960 23.290 1.00 0.00 O +ATOM 16152 HW1 SOL 4860 5.500 23.090 22.340 1.00 0.00 H +ATOM 16153 HW2 SOL 4860 4.790 23.530 23.600 1.00 0.00 H +ATOM 16154 OW SOL 4861 55.160 13.680 38.420 1.00 0.00 O +ATOM 16155 HW1 SOL 4861 54.790 12.910 38.850 1.00 0.00 H +ATOM 16156 HW2 SOL 4861 55.580 14.180 39.120 1.00 0.00 H +ATOM 16157 OW SOL 4862 34.140 43.870 52.240 1.00 0.00 O +ATOM 16158 HW1 SOL 4862 34.490 44.130 53.090 1.00 0.00 H +ATOM 16159 HW2 SOL 4862 34.040 42.920 52.310 1.00 0.00 H +ATOM 16160 OW SOL 4863 8.300 33.160 35.640 1.00 0.00 O +ATOM 16161 HW1 SOL 4863 9.230 33.370 35.650 1.00 0.00 H +ATOM 16162 HW2 SOL 4863 7.970 33.470 36.480 1.00 0.00 H +ATOM 16163 OW SOL 4864 7.590 61.720 40.390 1.00 0.00 O +ATOM 16164 HW1 SOL 4864 8.150 61.090 40.820 1.00 0.00 H +ATOM 16165 HW2 SOL 4864 8.160 62.470 40.200 1.00 0.00 H +ATOM 16166 OW SOL 4865 43.770 1.000 49.020 1.00 0.00 O +ATOM 16167 HW1 SOL 4865 43.850 0.240 48.450 1.00 0.00 H +ATOM 16168 HW2 SOL 4865 44.080 0.700 49.870 1.00 0.00 H +ATOM 16169 OW SOL 4866 51.490 12.190 38.000 1.00 0.00 O +ATOM 16170 HW1 SOL 4866 51.050 11.930 37.190 1.00 0.00 H +ATOM 16171 HW2 SOL 4866 52.370 11.830 37.930 1.00 0.00 H +ATOM 16172 OW SOL 4867 3.050 16.820 0.500 1.00 0.00 O +ATOM 16173 HW1 SOL 4867 3.880 16.350 0.590 1.00 0.00 H +ATOM 16174 HW2 SOL 4867 2.390 16.180 0.750 1.00 0.00 H +ATOM 16175 OW SOL 4868 61.830 55.950 32.600 1.00 0.00 O +ATOM 16176 HW1 SOL 4868 62.560 55.810 33.190 1.00 0.00 H +ATOM 16177 HW2 SOL 4868 61.260 55.190 32.730 1.00 0.00 H +ATOM 16178 OW SOL 4869 53.830 57.360 48.030 1.00 0.00 O +ATOM 16179 HW1 SOL 4869 53.870 58.260 47.710 1.00 0.00 H +ATOM 16180 HW2 SOL 4869 54.320 56.850 47.390 1.00 0.00 H +ATOM 16181 OW SOL 4870 28.500 21.100 22.570 1.00 0.00 O +ATOM 16182 HW1 SOL 4870 27.760 20.860 23.130 1.00 0.00 H +ATOM 16183 HW2 SOL 4870 29.130 20.390 22.670 1.00 0.00 H +ATOM 16184 OW SOL 4871 20.330 26.930 45.780 1.00 0.00 O +ATOM 16185 HW1 SOL 4871 19.970 27.430 45.050 1.00 0.00 H +ATOM 16186 HW2 SOL 4871 21.280 27.000 45.670 1.00 0.00 H +ATOM 16187 OW SOL 4872 4.230 2.150 15.350 1.00 0.00 O +ATOM 16188 HW1 SOL 4872 3.580 1.890 16.000 1.00 0.00 H +ATOM 16189 HW2 SOL 4872 4.710 1.350 15.150 1.00 0.00 H +ATOM 16190 OW SOL 4873 10.740 46.080 1.270 1.00 0.00 O +ATOM 16191 HW1 SOL 4873 10.570 46.840 1.830 1.00 0.00 H +ATOM 16192 HW2 SOL 4873 11.000 46.450 0.430 1.00 0.00 H +ATOM 16193 OW SOL 4874 7.740 34.640 10.990 1.00 0.00 O +ATOM 16194 HW1 SOL 4874 7.010 34.970 10.460 1.00 0.00 H +ATOM 16195 HW2 SOL 4874 7.970 35.370 11.560 1.00 0.00 H +ATOM 16196 OW SOL 4875 61.950 31.300 45.290 1.00 0.00 O +ATOM 16197 HW1 SOL 4875 62.860 31.080 45.470 1.00 0.00 H +ATOM 16198 HW2 SOL 4875 61.700 31.900 45.990 1.00 0.00 H +ATOM 16199 OW SOL 4876 6.890 16.070 5.880 1.00 0.00 O +ATOM 16200 HW1 SOL 4876 6.160 15.750 6.410 1.00 0.00 H +ATOM 16201 HW2 SOL 4876 7.660 15.660 6.260 1.00 0.00 H +ATOM 16202 OW SOL 4877 20.820 57.280 47.220 1.00 0.00 O +ATOM 16203 HW1 SOL 4877 21.550 56.660 47.250 1.00 0.00 H +ATOM 16204 HW2 SOL 4877 20.650 57.490 48.140 1.00 0.00 H +ATOM 16205 OW SOL 4878 46.720 4.290 6.410 1.00 0.00 O +ATOM 16206 HW1 SOL 4878 45.800 4.470 6.620 1.00 0.00 H +ATOM 16207 HW2 SOL 4878 46.680 3.620 5.730 1.00 0.00 H +ATOM 16208 OW SOL 4879 11.680 24.310 17.110 1.00 0.00 O +ATOM 16209 HW1 SOL 4879 11.390 24.380 18.020 1.00 0.00 H +ATOM 16210 HW2 SOL 4879 11.560 23.390 16.880 1.00 0.00 H +ATOM 16211 OW SOL 4880 40.890 61.000 19.600 1.00 0.00 O +ATOM 16212 HW1 SOL 4880 41.560 60.690 20.210 1.00 0.00 H +ATOM 16213 HW2 SOL 4880 41.370 61.550 18.980 1.00 0.00 H +ATOM 16214 OW SOL 4881 28.340 11.280 35.710 1.00 0.00 O +ATOM 16215 HW1 SOL 4881 28.060 12.050 36.220 1.00 0.00 H +ATOM 16216 HW2 SOL 4881 28.710 11.660 34.900 1.00 0.00 H +ATOM 16217 OW SOL 4882 46.490 42.490 43.380 1.00 0.00 O +ATOM 16218 HW1 SOL 4882 46.550 43.190 44.020 1.00 0.00 H +ATOM 16219 HW2 SOL 4882 46.000 42.870 42.650 1.00 0.00 H +ATOM 16220 OW SOL 4883 12.170 59.750 36.340 1.00 0.00 O +ATOM 16221 HW1 SOL 4883 11.610 59.610 37.100 1.00 0.00 H +ATOM 16222 HW2 SOL 4883 12.920 60.230 36.690 1.00 0.00 H +ATOM 16223 OW SOL 4884 21.620 16.620 45.100 1.00 0.00 O +ATOM 16224 HW1 SOL 4884 21.380 17.550 45.070 1.00 0.00 H +ATOM 16225 HW2 SOL 4884 21.200 16.300 45.900 1.00 0.00 H +ATOM 16226 OW SOL 4885 48.410 30.610 4.290 1.00 0.00 O +ATOM 16227 HW1 SOL 4885 49.170 31.190 4.390 1.00 0.00 H +ATOM 16228 HW2 SOL 4885 48.540 30.180 3.450 1.00 0.00 H +ATOM 16229 OW SOL 4886 52.000 60.020 52.740 1.00 0.00 O +ATOM 16230 HW1 SOL 4886 52.440 59.950 53.580 1.00 0.00 H +ATOM 16231 HW2 SOL 4886 51.250 59.430 52.810 1.00 0.00 H +ATOM 16232 OW SOL 4887 13.250 46.320 34.360 1.00 0.00 O +ATOM 16233 HW1 SOL 4887 12.410 46.770 34.350 1.00 0.00 H +ATOM 16234 HW2 SOL 4887 13.650 46.570 35.190 1.00 0.00 H +ATOM 16235 OW SOL 4888 32.660 18.630 40.900 1.00 0.00 O +ATOM 16236 HW1 SOL 4888 32.840 19.250 40.200 1.00 0.00 H +ATOM 16237 HW2 SOL 4888 32.740 17.770 40.500 1.00 0.00 H +ATOM 16238 OW SOL 4889 58.740 10.670 35.300 1.00 0.00 O +ATOM 16239 HW1 SOL 4889 58.630 11.610 35.400 1.00 0.00 H +ATOM 16240 HW2 SOL 4889 58.620 10.510 34.370 1.00 0.00 H +ATOM 16241 OW SOL 4890 53.780 26.600 4.180 1.00 0.00 O +ATOM 16242 HW1 SOL 4890 53.210 26.230 4.860 1.00 0.00 H +ATOM 16243 HW2 SOL 4890 53.460 26.220 3.370 1.00 0.00 H +ATOM 16244 OW SOL 4891 40.020 13.710 28.780 1.00 0.00 O +ATOM 16245 HW1 SOL 4891 40.250 13.380 29.650 1.00 0.00 H +ATOM 16246 HW2 SOL 4891 39.420 14.440 28.950 1.00 0.00 H +ATOM 16247 OW SOL 4892 24.250 6.820 29.130 1.00 0.00 O +ATOM 16248 HW1 SOL 4892 23.980 7.640 28.720 1.00 0.00 H +ATOM 16249 HW2 SOL 4892 25.200 6.830 29.090 1.00 0.00 H +ATOM 16250 OW SOL 4893 64.450 8.350 36.400 1.00 0.00 O +ATOM 16251 HW1 SOL 4893 63.580 8.740 36.280 1.00 0.00 H +ATOM 16252 HW2 SOL 4893 64.710 8.090 35.520 1.00 0.00 H +ATOM 16253 OW SOL 4894 47.860 43.200 11.530 1.00 0.00 O +ATOM 16254 HW1 SOL 4894 46.910 43.200 11.600 1.00 0.00 H +ATOM 16255 HW2 SOL 4894 48.040 43.310 10.600 1.00 0.00 H +ATOM 16256 OW SOL 4895 59.190 5.880 1.560 1.00 0.00 O +ATOM 16257 HW1 SOL 4895 58.250 6.020 1.530 1.00 0.00 H +ATOM 16258 HW2 SOL 4895 59.520 6.220 0.730 1.00 0.00 H +ATOM 16259 OW SOL 4896 46.890 35.470 38.510 1.00 0.00 O +ATOM 16260 HW1 SOL 4896 47.040 34.800 37.840 1.00 0.00 H +ATOM 16261 HW2 SOL 4896 46.480 34.990 39.230 1.00 0.00 H +ATOM 16262 OW SOL 4897 60.260 31.380 10.340 1.00 0.00 O +ATOM 16263 HW1 SOL 4897 60.950 30.870 10.760 1.00 0.00 H +ATOM 16264 HW2 SOL 4897 59.700 31.670 11.070 1.00 0.00 H +ATOM 16265 OW SOL 4898 38.470 30.560 19.980 1.00 0.00 O +ATOM 16266 HW1 SOL 4898 37.520 30.590 20.070 1.00 0.00 H +ATOM 16267 HW2 SOL 4898 38.620 30.140 19.130 1.00 0.00 H +ATOM 16268 OW SOL 4899 16.870 2.860 17.000 1.00 0.00 O +ATOM 16269 HW1 SOL 4899 17.290 3.190 17.790 1.00 0.00 H +ATOM 16270 HW2 SOL 4899 16.770 1.920 17.160 1.00 0.00 H +ATOM 16271 OW SOL 4900 60.170 27.760 50.230 1.00 0.00 O +ATOM 16272 HW1 SOL 4900 60.320 28.400 50.930 1.00 0.00 H +ATOM 16273 HW2 SOL 4900 60.740 28.050 49.520 1.00 0.00 H +ATOM 16274 OW SOL 4901 9.980 43.020 43.210 1.00 0.00 O +ATOM 16275 HW1 SOL 4901 10.610 42.300 43.110 1.00 0.00 H +ATOM 16276 HW2 SOL 4901 10.000 43.230 44.150 1.00 0.00 H +ATOM 16277 OW SOL 4902 29.280 9.570 31.930 1.00 0.00 O +ATOM 16278 HW1 SOL 4902 29.480 10.010 31.100 1.00 0.00 H +ATOM 16279 HW2 SOL 4902 28.420 9.910 32.180 1.00 0.00 H +ATOM 16280 OW SOL 4903 46.280 50.360 25.500 1.00 0.00 O +ATOM 16281 HW1 SOL 4903 45.760 51.110 25.180 1.00 0.00 H +ATOM 16282 HW2 SOL 4903 45.880 50.130 26.340 1.00 0.00 H +ATOM 16283 OW SOL 4904 44.550 38.810 0.750 1.00 0.00 O +ATOM 16284 HW1 SOL 4904 44.900 38.220 1.420 1.00 0.00 H +ATOM 16285 HW2 SOL 4904 45.260 39.440 0.600 1.00 0.00 H +ATOM 16286 OW SOL 4905 62.270 37.790 42.970 1.00 0.00 O +ATOM 16287 HW1 SOL 4905 62.520 38.180 42.130 1.00 0.00 H +ATOM 16288 HW2 SOL 4905 62.060 38.540 43.530 1.00 0.00 H +ATOM 16289 OW SOL 4906 61.180 24.230 48.460 1.00 0.00 O +ATOM 16290 HW1 SOL 4906 60.300 24.290 48.080 1.00 0.00 H +ATOM 16291 HW2 SOL 4906 61.030 24.200 49.400 1.00 0.00 H +ATOM 16292 OW SOL 4907 65.320 39.620 16.730 1.00 0.00 O +ATOM 16293 HW1 SOL 4907 65.180 40.560 16.810 1.00 0.00 H +ATOM 16294 HW2 SOL 4907 66.220 39.530 16.420 1.00 0.00 H +ATOM 16295 OW SOL 4908 30.160 35.080 6.900 1.00 0.00 O +ATOM 16296 HW1 SOL 4908 30.470 34.330 6.380 1.00 0.00 H +ATOM 16297 HW2 SOL 4908 29.220 34.930 6.980 1.00 0.00 H +ATOM 16298 OW SOL 4909 3.060 1.810 50.600 1.00 0.00 O +ATOM 16299 HW1 SOL 4909 2.300 2.350 50.840 1.00 0.00 H +ATOM 16300 HW2 SOL 4909 3.170 1.200 51.330 1.00 0.00 H +ATOM 16301 OW SOL 4910 18.870 48.250 42.530 1.00 0.00 O +ATOM 16302 HW1 SOL 4910 18.060 48.620 42.880 1.00 0.00 H +ATOM 16303 HW2 SOL 4910 18.960 47.410 42.960 1.00 0.00 H +ATOM 16304 OW SOL 4911 4.610 39.720 11.180 1.00 0.00 O +ATOM 16305 HW1 SOL 4911 4.980 39.190 10.480 1.00 0.00 H +ATOM 16306 HW2 SOL 4911 4.250 40.490 10.740 1.00 0.00 H +ATOM 16307 OW SOL 4912 7.180 29.240 9.090 1.00 0.00 O +ATOM 16308 HW1 SOL 4912 7.170 29.460 8.150 1.00 0.00 H +ATOM 16309 HW2 SOL 4912 6.300 28.880 9.250 1.00 0.00 H +ATOM 16310 OW SOL 4913 39.950 37.900 36.530 1.00 0.00 O +ATOM 16311 HW1 SOL 4913 39.110 37.930 37.000 1.00 0.00 H +ATOM 16312 HW2 SOL 4913 40.090 38.810 36.250 1.00 0.00 H +ATOM 16313 OW SOL 4914 17.730 10.260 14.780 1.00 0.00 O +ATOM 16314 HW1 SOL 4914 17.430 9.420 15.120 1.00 0.00 H +ATOM 16315 HW2 SOL 4914 16.930 10.780 14.670 1.00 0.00 H +ATOM 16316 OW SOL 4915 40.890 9.730 49.870 1.00 0.00 O +ATOM 16317 HW1 SOL 4915 41.580 9.760 50.530 1.00 0.00 H +ATOM 16318 HW2 SOL 4915 41.070 8.930 49.370 1.00 0.00 H +ATOM 16319 OW SOL 4916 37.610 31.940 5.300 1.00 0.00 O +ATOM 16320 HW1 SOL 4916 37.930 32.170 6.170 1.00 0.00 H +ATOM 16321 HW2 SOL 4916 37.680 30.990 5.260 1.00 0.00 H +ATOM 16322 OW SOL 4917 65.080 2.560 52.940 1.00 0.00 O +ATOM 16323 HW1 SOL 4917 65.700 3.270 52.760 1.00 0.00 H +ATOM 16324 HW2 SOL 4917 64.820 2.700 53.860 1.00 0.00 H +ATOM 16325 OW SOL 4918 23.910 19.900 21.650 1.00 0.00 O +ATOM 16326 HW1 SOL 4918 24.090 19.290 22.360 1.00 0.00 H +ATOM 16327 HW2 SOL 4918 23.390 19.400 21.020 1.00 0.00 H +ATOM 16328 OW SOL 4919 21.620 14.340 52.020 1.00 0.00 O +ATOM 16329 HW1 SOL 4919 20.720 14.640 52.090 1.00 0.00 H +ATOM 16330 HW2 SOL 4919 22.030 14.610 52.840 1.00 0.00 H +ATOM 16331 OW SOL 4920 4.410 24.340 2.460 1.00 0.00 O +ATOM 16332 HW1 SOL 4920 4.890 25.010 2.950 1.00 0.00 H +ATOM 16333 HW2 SOL 4920 3.570 24.260 2.920 1.00 0.00 H +ATOM 16334 OW SOL 4921 0.780 28.970 7.180 1.00 0.00 O +ATOM 16335 HW1 SOL 4921 0.910 29.810 7.630 1.00 0.00 H +ATOM 16336 HW2 SOL 4921 0.470 29.210 6.310 1.00 0.00 H +ATOM 16337 OW SOL 4922 3.140 28.350 26.300 1.00 0.00 O +ATOM 16338 HW1 SOL 4922 3.380 28.680 25.440 1.00 0.00 H +ATOM 16339 HW2 SOL 4922 2.670 27.530 26.120 1.00 0.00 H +ATOM 16340 OW SOL 4923 11.150 32.490 13.430 1.00 0.00 O +ATOM 16341 HW1 SOL 4923 10.510 32.550 12.710 1.00 0.00 H +ATOM 16342 HW2 SOL 4923 11.720 33.250 13.310 1.00 0.00 H +ATOM 16343 OW SOL 4924 44.140 54.830 45.160 1.00 0.00 O +ATOM 16344 HW1 SOL 4924 43.570 54.660 44.410 1.00 0.00 H +ATOM 16345 HW2 SOL 4924 43.710 55.540 45.630 1.00 0.00 H +ATOM 16346 OW SOL 4925 16.620 43.420 7.530 1.00 0.00 O +ATOM 16347 HW1 SOL 4925 16.020 43.250 8.260 1.00 0.00 H +ATOM 16348 HW2 SOL 4925 17.490 43.300 7.900 1.00 0.00 H +ATOM 16349 OW SOL 4926 37.460 46.790 6.100 1.00 0.00 O +ATOM 16350 HW1 SOL 4926 38.210 46.470 5.590 1.00 0.00 H +ATOM 16351 HW2 SOL 4926 37.030 46.000 6.430 1.00 0.00 H +ATOM 16352 OW SOL 4927 36.510 30.750 51.320 1.00 0.00 O +ATOM 16353 HW1 SOL 4927 37.460 30.640 51.370 1.00 0.00 H +ATOM 16354 HW2 SOL 4927 36.190 29.960 50.890 1.00 0.00 H +ATOM 16355 OW SOL 4928 51.490 59.180 19.180 1.00 0.00 O +ATOM 16356 HW1 SOL 4928 51.120 59.700 19.890 1.00 0.00 H +ATOM 16357 HW2 SOL 4928 52.440 59.240 19.300 1.00 0.00 H +ATOM 16358 OW SOL 4929 33.320 0.020 5.760 1.00 0.00 O +ATOM 16359 HW1 SOL 4929 34.200 0.350 5.950 1.00 0.00 H +ATOM 16360 HW2 SOL 4929 32.990 0.600 5.080 1.00 0.00 H +ATOM 16361 OW SOL 4930 3.380 55.760 43.620 1.00 0.00 O +ATOM 16362 HW1 SOL 4930 3.750 55.640 44.500 1.00 0.00 H +ATOM 16363 HW2 SOL 4930 4.090 56.170 43.120 1.00 0.00 H +ATOM 16364 OW SOL 4931 4.300 54.800 46.530 1.00 0.00 O +ATOM 16365 HW1 SOL 4931 3.360 54.770 46.730 1.00 0.00 H +ATOM 16366 HW2 SOL 4931 4.440 54.050 45.960 1.00 0.00 H +ATOM 16367 OW SOL 4932 17.800 3.050 32.700 1.00 0.00 O +ATOM 16368 HW1 SOL 4932 17.820 3.640 31.940 1.00 0.00 H +ATOM 16369 HW2 SOL 4932 17.560 3.610 33.430 1.00 0.00 H +ATOM 16370 OW SOL 4933 49.130 26.250 8.740 1.00 0.00 O +ATOM 16371 HW1 SOL 4933 49.940 25.750 8.850 1.00 0.00 H +ATOM 16372 HW2 SOL 4933 49.320 27.100 9.140 1.00 0.00 H +ATOM 16373 OW SOL 4934 13.830 22.160 29.720 1.00 0.00 O +ATOM 16374 HW1 SOL 4934 13.190 22.600 30.280 1.00 0.00 H +ATOM 16375 HW2 SOL 4934 13.490 21.270 29.620 1.00 0.00 H +ATOM 16376 OW SOL 4935 57.020 49.040 53.310 1.00 0.00 O +ATOM 16377 HW1 SOL 4935 56.170 49.000 52.860 1.00 0.00 H +ATOM 16378 HW2 SOL 4935 56.920 48.430 54.050 1.00 0.00 H +ATOM 16379 OW SOL 4936 7.120 39.730 44.850 1.00 0.00 O +ATOM 16380 HW1 SOL 4936 6.980 40.030 45.740 1.00 0.00 H +ATOM 16381 HW2 SOL 4936 6.570 38.950 44.770 1.00 0.00 H +ATOM 16382 OW SOL 4937 36.140 41.150 2.680 1.00 0.00 O +ATOM 16383 HW1 SOL 4937 36.720 40.550 3.140 1.00 0.00 H +ATOM 16384 HW2 SOL 4937 35.430 40.590 2.350 1.00 0.00 H +ATOM 16385 OW SOL 4938 54.600 17.340 49.550 1.00 0.00 O +ATOM 16386 HW1 SOL 4938 55.250 17.370 50.260 1.00 0.00 H +ATOM 16387 HW2 SOL 4938 54.880 18.020 48.940 1.00 0.00 H +ATOM 16388 OW SOL 4939 50.090 38.970 18.940 1.00 0.00 O +ATOM 16389 HW1 SOL 4939 50.260 38.320 19.630 1.00 0.00 H +ATOM 16390 HW2 SOL 4939 50.770 39.630 19.070 1.00 0.00 H +ATOM 16391 OW SOL 4940 53.860 42.910 43.630 1.00 0.00 O +ATOM 16392 HW1 SOL 4940 54.450 42.410 44.190 1.00 0.00 H +ATOM 16393 HW2 SOL 4940 53.050 42.400 43.600 1.00 0.00 H +ATOM 16394 OW SOL 4941 43.330 40.850 6.570 1.00 0.00 O +ATOM 16395 HW1 SOL 4941 43.230 41.180 7.470 1.00 0.00 H +ATOM 16396 HW2 SOL 4941 44.270 40.870 6.410 1.00 0.00 H +ATOM 16397 OW SOL 4942 39.130 24.890 52.940 1.00 0.00 O +ATOM 16398 HW1 SOL 4942 39.830 25.510 52.720 1.00 0.00 H +ATOM 16399 HW2 SOL 4942 38.820 25.170 53.800 1.00 0.00 H +ATOM 16400 OW SOL 4943 37.200 40.720 43.200 1.00 0.00 O +ATOM 16401 HW1 SOL 4943 37.150 40.310 44.060 1.00 0.00 H +ATOM 16402 HW2 SOL 4943 36.320 40.610 42.830 1.00 0.00 H +ATOM 16403 OW SOL 4944 3.200 10.420 35.500 1.00 0.00 O +ATOM 16404 HW1 SOL 4944 2.750 9.900 34.840 1.00 0.00 H +ATOM 16405 HW2 SOL 4944 4.130 10.250 35.350 1.00 0.00 H +ATOM 16406 OW SOL 4945 50.710 23.530 37.450 1.00 0.00 O +ATOM 16407 HW1 SOL 4945 50.300 24.400 37.400 1.00 0.00 H +ATOM 16408 HW2 SOL 4945 51.580 23.650 37.070 1.00 0.00 H +ATOM 16409 OW SOL 4946 62.280 10.740 28.060 1.00 0.00 O +ATOM 16410 HW1 SOL 4946 61.700 9.980 28.080 1.00 0.00 H +ATOM 16411 HW2 SOL 4946 61.840 11.360 27.470 1.00 0.00 H +ATOM 16412 OW SOL 4947 36.370 42.120 7.040 1.00 0.00 O +ATOM 16413 HW1 SOL 4947 36.130 41.600 6.280 1.00 0.00 H +ATOM 16414 HW2 SOL 4947 35.890 41.730 7.770 1.00 0.00 H +ATOM 16415 OW SOL 4948 45.400 26.120 2.370 1.00 0.00 O +ATOM 16416 HW1 SOL 4948 45.780 26.410 3.200 1.00 0.00 H +ATOM 16417 HW2 SOL 4948 45.770 26.720 1.720 1.00 0.00 H +ATOM 16418 OW SOL 4949 5.310 48.930 36.220 1.00 0.00 O +ATOM 16419 HW1 SOL 4949 5.900 48.700 36.940 1.00 0.00 H +ATOM 16420 HW2 SOL 4949 5.890 49.150 35.500 1.00 0.00 H +ATOM 16421 OW SOL 4950 14.380 57.500 33.100 1.00 0.00 O +ATOM 16422 HW1 SOL 4950 14.640 56.590 32.990 1.00 0.00 H +ATOM 16423 HW2 SOL 4950 15.190 57.950 33.370 1.00 0.00 H +ATOM 16424 OW SOL 4951 45.180 27.800 43.820 1.00 0.00 O +ATOM 16425 HW1 SOL 4951 45.590 27.270 43.140 1.00 0.00 H +ATOM 16426 HW2 SOL 4951 44.240 27.670 43.690 1.00 0.00 H +ATOM 16427 OW SOL 4952 4.520 21.570 51.890 1.00 0.00 O +ATOM 16428 HW1 SOL 4952 5.420 21.890 51.940 1.00 0.00 H +ATOM 16429 HW2 SOL 4952 4.600 20.620 52.000 1.00 0.00 H +ATOM 16430 OW SOL 4953 59.470 60.880 47.220 1.00 0.00 O +ATOM 16431 HW1 SOL 4953 59.890 60.820 48.080 1.00 0.00 H +ATOM 16432 HW2 SOL 4953 60.120 61.300 46.660 1.00 0.00 H +ATOM 16433 OW SOL 4954 11.540 29.220 3.430 1.00 0.00 O +ATOM 16434 HW1 SOL 4954 12.320 28.660 3.380 1.00 0.00 H +ATOM 16435 HW2 SOL 4954 11.820 29.970 3.960 1.00 0.00 H +ATOM 16436 OW SOL 4955 18.200 59.500 45.310 1.00 0.00 O +ATOM 16437 HW1 SOL 4955 18.230 59.850 46.200 1.00 0.00 H +ATOM 16438 HW2 SOL 4955 17.270 59.270 45.180 1.00 0.00 H +ATOM 16439 OW SOL 4956 49.880 30.010 50.390 1.00 0.00 O +ATOM 16440 HW1 SOL 4956 49.700 30.820 49.920 1.00 0.00 H +ATOM 16441 HW2 SOL 4956 49.490 29.320 49.860 1.00 0.00 H +ATOM 16442 OW SOL 4957 47.890 25.980 37.040 1.00 0.00 O +ATOM 16443 HW1 SOL 4957 47.580 25.190 36.600 1.00 0.00 H +ATOM 16444 HW2 SOL 4957 47.210 26.640 36.860 1.00 0.00 H +ATOM 16445 OW SOL 4958 2.840 19.500 0.710 1.00 0.00 O +ATOM 16446 HW1 SOL 4958 2.980 18.590 0.980 1.00 0.00 H +ATOM 16447 HW2 SOL 4958 2.000 19.490 0.240 1.00 0.00 H +ATOM 16448 OW SOL 4959 5.040 12.860 5.220 1.00 0.00 O +ATOM 16449 HW1 SOL 4959 4.500 13.650 5.280 1.00 0.00 H +ATOM 16450 HW2 SOL 4959 4.990 12.470 6.090 1.00 0.00 H +ATOM 16451 OW SOL 4960 49.560 10.870 10.510 1.00 0.00 O +ATOM 16452 HW1 SOL 4960 50.150 11.130 11.210 1.00 0.00 H +ATOM 16453 HW2 SOL 4960 49.090 10.110 10.860 1.00 0.00 H +ATOM 16454 OW SOL 4961 32.390 33.950 2.630 1.00 0.00 O +ATOM 16455 HW1 SOL 4961 32.080 34.830 2.410 1.00 0.00 H +ATOM 16456 HW2 SOL 4961 32.360 33.470 1.810 1.00 0.00 H +ATOM 16457 OW SOL 4962 37.420 51.850 44.250 1.00 0.00 O +ATOM 16458 HW1 SOL 4962 37.820 51.000 44.460 1.00 0.00 H +ATOM 16459 HW2 SOL 4962 38.130 52.480 44.390 1.00 0.00 H +ATOM 16460 OW SOL 4963 31.360 4.320 20.030 1.00 0.00 O +ATOM 16461 HW1 SOL 4963 31.820 4.960 20.570 1.00 0.00 H +ATOM 16462 HW2 SOL 4963 31.890 4.240 19.240 1.00 0.00 H +ATOM 16463 OW SOL 4964 5.990 6.770 44.470 1.00 0.00 O +ATOM 16464 HW1 SOL 4964 5.680 7.400 45.110 1.00 0.00 H +ATOM 16465 HW2 SOL 4964 5.260 6.650 43.860 1.00 0.00 H +ATOM 16466 OW SOL 4965 10.680 25.770 37.180 1.00 0.00 O +ATOM 16467 HW1 SOL 4965 10.320 25.240 36.460 1.00 0.00 H +ATOM 16468 HW2 SOL 4965 10.970 26.580 36.750 1.00 0.00 H +ATOM 16469 OW SOL 4966 14.990 3.560 29.020 1.00 0.00 O +ATOM 16470 HW1 SOL 4966 14.720 3.590 29.940 1.00 0.00 H +ATOM 16471 HW2 SOL 4966 14.190 3.400 28.530 1.00 0.00 H +ATOM 16472 OW SOL 4967 25.960 33.880 48.750 1.00 0.00 O +ATOM 16473 HW1 SOL 4967 25.320 33.430 48.200 1.00 0.00 H +ATOM 16474 HW2 SOL 4967 25.460 34.580 49.180 1.00 0.00 H +ATOM 16475 OW SOL 4968 20.550 20.610 5.570 1.00 0.00 O +ATOM 16476 HW1 SOL 4968 21.190 21.030 6.140 1.00 0.00 H +ATOM 16477 HW2 SOL 4968 19.980 21.320 5.280 1.00 0.00 H +ATOM 16478 OW SOL 4969 65.555 12.600 9.050 1.00 0.00 O +ATOM 16479 HW1 SOL 4969 66.435 12.220 9.070 1.00 0.00 H +ATOM 16480 HW2 SOL 4969 65.555 13.170 8.290 1.00 0.00 H +ATOM 16481 OW SOL 4970 58.610 31.660 12.360 1.00 0.00 O +ATOM 16482 HW1 SOL 4970 58.260 30.930 12.870 1.00 0.00 H +ATOM 16483 HW2 SOL 4970 58.090 32.420 12.630 1.00 0.00 H +ATOM 16484 OW SOL 4971 15.420 32.940 53.410 1.00 0.00 O +ATOM 16485 HW1 SOL 4971 14.690 33.540 53.580 1.00 0.00 H +ATOM 16486 HW2 SOL 4971 15.030 32.070 53.440 1.00 0.00 H +ATOM 16487 OW SOL 4972 50.410 27.070 25.830 1.00 0.00 O +ATOM 16488 HW1 SOL 4972 50.030 26.760 25.010 1.00 0.00 H +ATOM 16489 HW2 SOL 4972 51.160 27.610 25.560 1.00 0.00 H +ATOM 16490 OW SOL 4973 2.130 2.430 1.010 1.00 0.00 O +ATOM 16491 HW1 SOL 4973 2.790 2.580 1.690 1.00 0.00 H +ATOM 16492 HW2 SOL 4973 1.710 1.610 1.270 1.00 0.00 H +ATOM 16493 OW SOL 4974 14.220 14.170 43.600 1.00 0.00 O +ATOM 16494 HW1 SOL 4974 14.700 13.690 44.270 1.00 0.00 H +ATOM 16495 HW2 SOL 4974 14.400 13.700 42.790 1.00 0.00 H +ATOM 16496 OW SOL 4975 18.170 14.590 8.350 1.00 0.00 O +ATOM 16497 HW1 SOL 4975 17.640 15.300 7.970 1.00 0.00 H +ATOM 16498 HW2 SOL 4975 19.030 14.710 7.950 1.00 0.00 H +ATOM 16499 OW SOL 4976 60.040 15.540 23.830 1.00 0.00 O +ATOM 16500 HW1 SOL 4976 60.790 15.520 24.420 1.00 0.00 H +ATOM 16501 HW2 SOL 4976 60.140 16.360 23.340 1.00 0.00 H +ATOM 16502 OW SOL 4977 33.280 1.690 10.640 1.00 0.00 O +ATOM 16503 HW1 SOL 4977 32.830 1.590 9.800 1.00 0.00 H +ATOM 16504 HW2 SOL 4977 33.200 2.620 10.850 1.00 0.00 H +ATOM 16505 OW SOL 4978 21.500 18.320 10.900 1.00 0.00 O +ATOM 16506 HW1 SOL 4978 21.250 17.450 11.210 1.00 0.00 H +ATOM 16507 HW2 SOL 4978 22.290 18.530 11.390 1.00 0.00 H +ATOM 16508 OW SOL 4979 18.870 47.130 45.670 1.00 0.00 O +ATOM 16509 HW1 SOL 4979 18.950 47.470 46.560 1.00 0.00 H +ATOM 16510 HW2 SOL 4979 18.170 47.650 45.280 1.00 0.00 H +ATOM 16511 OW SOL 4980 58.040 26.570 3.040 1.00 0.00 O +ATOM 16512 HW1 SOL 4980 58.500 26.010 2.410 1.00 0.00 H +ATOM 16513 HW2 SOL 4980 57.500 27.150 2.500 1.00 0.00 H +ATOM 16514 OW SOL 4981 16.680 34.070 48.060 1.00 0.00 O +ATOM 16515 HW1 SOL 4981 16.030 33.410 47.810 1.00 0.00 H +ATOM 16516 HW2 SOL 4981 16.160 34.790 48.410 1.00 0.00 H +ATOM 16517 OW SOL 4982 7.840 57.450 36.320 1.00 0.00 O +ATOM 16518 HW1 SOL 4982 7.090 56.900 36.520 1.00 0.00 H +ATOM 16519 HW2 SOL 4982 7.480 58.190 35.840 1.00 0.00 H +ATOM 16520 OW SOL 4983 57.700 53.240 53.360 1.00 0.00 O +ATOM 16521 HW1 SOL 4983 57.440 53.120 52.440 1.00 0.00 H +ATOM 16522 HW2 SOL 4983 57.640 54.180 53.500 1.00 0.00 H +ATOM 16523 OW SOL 4984 47.510 46.260 9.420 1.00 0.00 O +ATOM 16524 HW1 SOL 4984 47.480 46.630 8.540 1.00 0.00 H +ATOM 16525 HW2 SOL 4984 47.830 45.360 9.290 1.00 0.00 H +ATOM 16526 OW SOL 4985 41.480 56.910 40.320 1.00 0.00 O +ATOM 16527 HW1 SOL 4985 41.150 56.580 41.160 1.00 0.00 H +ATOM 16528 HW2 SOL 4985 42.390 57.170 40.500 1.00 0.00 H +ATOM 16529 OW SOL 4986 61.020 24.700 38.370 1.00 0.00 O +ATOM 16530 HW1 SOL 4986 61.270 24.270 37.550 1.00 0.00 H +ATOM 16531 HW2 SOL 4986 61.840 24.850 38.830 1.00 0.00 H +ATOM 16532 OW SOL 4987 54.540 47.720 37.810 1.00 0.00 O +ATOM 16533 HW1 SOL 4987 53.970 48.490 37.920 1.00 0.00 H +ATOM 16534 HW2 SOL 4987 54.660 47.640 36.860 1.00 0.00 H +ATOM 16535 OW SOL 4988 29.440 30.680 46.920 1.00 0.00 O +ATOM 16536 HW1 SOL 4988 29.080 30.760 47.800 1.00 0.00 H +ATOM 16537 HW2 SOL 4988 29.990 31.460 46.810 1.00 0.00 H +ATOM 16538 OW SOL 4989 29.560 9.560 39.160 1.00 0.00 O +ATOM 16539 HW1 SOL 4989 29.440 9.060 38.350 1.00 0.00 H +ATOM 16540 HW2 SOL 4989 29.910 10.400 38.880 1.00 0.00 H +ATOM 16541 OW SOL 4990 29.540 1.300 10.480 1.00 0.00 O +ATOM 16542 HW1 SOL 4990 29.040 0.990 9.720 1.00 0.00 H +ATOM 16543 HW2 SOL 4990 29.210 2.180 10.640 1.00 0.00 H +ATOM 16544 OW SOL 4991 17.360 41.910 16.520 1.00 0.00 O +ATOM 16545 HW1 SOL 4991 18.260 42.160 16.300 1.00 0.00 H +ATOM 16546 HW2 SOL 4991 16.890 41.940 15.690 1.00 0.00 H +ATOM 16547 OW SOL 4992 65.380 43.940 19.270 1.00 0.00 O +ATOM 16548 HW1 SOL 4992 65.030 44.350 18.480 1.00 0.00 H +ATOM 16549 HW2 SOL 4992 66.120 44.500 19.520 1.00 0.00 H +ATOM 16550 OW SOL 4993 48.240 21.710 25.030 1.00 0.00 O +ATOM 16551 HW1 SOL 4993 48.980 21.610 25.620 1.00 0.00 H +ATOM 16552 HW2 SOL 4993 47.490 21.340 25.510 1.00 0.00 H +ATOM 16553 OW SOL 4994 60.170 47.190 12.860 1.00 0.00 O +ATOM 16554 HW1 SOL 4994 59.620 47.030 13.630 1.00 0.00 H +ATOM 16555 HW2 SOL 4994 61.000 47.510 13.220 1.00 0.00 H +ATOM 16556 OW SOL 4995 64.890 33.060 31.470 1.00 0.00 O +ATOM 16557 HW1 SOL 4995 65.820 33.260 31.630 1.00 0.00 H +ATOM 16558 HW2 SOL 4995 64.910 32.340 30.840 1.00 0.00 H +ATOM 16559 OW SOL 4996 16.410 49.030 45.100 1.00 0.00 O +ATOM 16560 HW1 SOL 4996 17.130 49.660 45.140 1.00 0.00 H +ATOM 16561 HW2 SOL 4996 15.790 49.330 45.770 1.00 0.00 H +ATOM 16562 OW SOL 4997 3.490 15.260 5.930 1.00 0.00 O +ATOM 16563 HW1 SOL 4997 2.880 15.580 5.270 1.00 0.00 H +ATOM 16564 HW2 SOL 4997 3.720 16.030 6.440 1.00 0.00 H +ATOM 16565 OW SOL 4998 59.150 2.950 6.100 1.00 0.00 O +ATOM 16566 HW1 SOL 4998 59.810 3.510 5.680 1.00 0.00 H +ATOM 16567 HW2 SOL 4998 59.450 2.860 7.000 1.00 0.00 H +ATOM 16568 OW SOL 4999 6.380 54.460 32.350 1.00 0.00 O +ATOM 16569 HW1 SOL 4999 5.620 54.320 32.910 1.00 0.00 H +ATOM 16570 HW2 SOL 4999 6.470 55.410 32.300 1.00 0.00 H +ATOM 16571 OW SOL 5000 8.920 37.890 35.270 1.00 0.00 O +ATOM 16572 HW1 SOL 5000 8.710 37.430 36.090 1.00 0.00 H +ATOM 16573 HW2 SOL 5000 9.260 38.740 35.550 1.00 0.00 H +ATOM 16574 OW SOL 5001 24.560 37.760 0.470 1.00 0.00 O +ATOM 16575 HW1 SOL 5001 25.500 37.780 0.310 1.00 0.00 H +ATOM 16576 HW2 SOL 5001 24.480 37.570 1.410 1.00 0.00 H +ATOM 16577 OW SOL 5002 9.890 49.180 48.420 1.00 0.00 O +ATOM 16578 HW1 SOL 5002 9.490 49.760 49.060 1.00 0.00 H +ATOM 16579 HW2 SOL 5002 10.820 49.420 48.430 1.00 0.00 H +ATOM 16580 OW SOL 5003 45.140 36.260 50.760 1.00 0.00 O +ATOM 16581 HW1 SOL 5003 44.540 36.980 50.950 1.00 0.00 H +ATOM 16582 HW2 SOL 5003 44.580 35.500 50.640 1.00 0.00 H +ATOM 16583 OW SOL 5004 49.680 28.080 40.300 1.00 0.00 O +ATOM 16584 HW1 SOL 5004 49.590 28.070 41.250 1.00 0.00 H +ATOM 16585 HW2 SOL 5004 50.320 28.780 40.130 1.00 0.00 H +ATOM 16586 OW SOL 5005 65.350 0.900 43.770 1.00 0.00 O +ATOM 16587 HW1 SOL 5005 64.700 0.210 43.720 1.00 0.00 H +ATOM 16588 HW2 SOL 5005 64.850 1.690 43.990 1.00 0.00 H +ATOM 16589 OW SOL 5006 34.230 8.600 27.800 1.00 0.00 O +ATOM 16590 HW1 SOL 5006 33.660 9.240 28.220 1.00 0.00 H +ATOM 16591 HW2 SOL 5006 35.100 9.000 27.820 1.00 0.00 H +ATOM 16592 OW SOL 5007 28.660 17.140 2.260 1.00 0.00 O +ATOM 16593 HW1 SOL 5007 28.790 16.660 1.450 1.00 0.00 H +ATOM 16594 HW2 SOL 5007 29.390 17.750 2.300 1.00 0.00 H +ATOM 16595 OW SOL 5008 3.270 35.490 18.090 1.00 0.00 O +ATOM 16596 HW1 SOL 5008 2.470 35.110 18.460 1.00 0.00 H +ATOM 16597 HW2 SOL 5008 3.140 36.430 18.160 1.00 0.00 H +ATOM 16598 OW SOL 5009 22.730 32.950 1.410 1.00 0.00 O +ATOM 16599 HW1 SOL 5009 23.460 33.530 1.200 1.00 0.00 H +ATOM 16600 HW2 SOL 5009 23.010 32.500 2.210 1.00 0.00 H +ATOM 16601 OW SOL 5010 59.970 18.760 50.260 1.00 0.00 O +ATOM 16602 HW1 SOL 5010 60.790 18.260 50.230 1.00 0.00 H +ATOM 16603 HW2 SOL 5010 60.210 19.600 50.650 1.00 0.00 H +ATOM 16604 OW SOL 5011 46.470 45.210 37.960 1.00 0.00 O +ATOM 16605 HW1 SOL 5011 46.380 46.100 37.620 1.00 0.00 H +ATOM 16606 HW2 SOL 5011 47.410 45.080 38.050 1.00 0.00 H +ATOM 16607 OW SOL 5012 40.970 21.620 15.070 1.00 0.00 O +ATOM 16608 HW1 SOL 5012 40.170 22.030 15.390 1.00 0.00 H +ATOM 16609 HW2 SOL 5012 40.790 21.430 14.150 1.00 0.00 H +ATOM 16610 OW SOL 5013 42.580 16.950 34.810 1.00 0.00 O +ATOM 16611 HW1 SOL 5013 43.370 16.460 34.580 1.00 0.00 H +ATOM 16612 HW2 SOL 5013 41.860 16.390 34.540 1.00 0.00 H +ATOM 16613 OW SOL 5014 46.870 35.480 13.870 1.00 0.00 O +ATOM 16614 HW1 SOL 5014 46.800 35.070 13.010 1.00 0.00 H +ATOM 16615 HW2 SOL 5014 46.210 35.030 14.400 1.00 0.00 H +ATOM 16616 OW SOL 5015 48.210 1.890 13.040 1.00 0.00 O +ATOM 16617 HW1 SOL 5015 48.920 1.670 12.440 1.00 0.00 H +ATOM 16618 HW2 SOL 5015 47.750 1.070 13.190 1.00 0.00 H +ATOM 16619 OW SOL 5016 22.690 23.730 50.410 1.00 0.00 O +ATOM 16620 HW1 SOL 5016 23.150 23.470 49.610 1.00 0.00 H +ATOM 16621 HW2 SOL 5016 22.080 23.010 50.580 1.00 0.00 H +ATOM 16622 OW SOL 5017 7.170 34.040 38.350 1.00 0.00 O +ATOM 16623 HW1 SOL 5017 7.020 33.900 39.290 1.00 0.00 H +ATOM 16624 HW2 SOL 5017 7.840 34.720 38.320 1.00 0.00 H +ATOM 16625 OW SOL 5018 58.710 55.490 1.660 1.00 0.00 O +ATOM 16626 HW1 SOL 5018 57.790 55.720 1.640 1.00 0.00 H +ATOM 16627 HW2 SOL 5018 59.170 56.320 1.780 1.00 0.00 H +ATOM 16628 OW SOL 5019 2.590 8.820 33.510 1.00 0.00 O +ATOM 16629 HW1 SOL 5019 1.950 8.190 33.190 1.00 0.00 H +ATOM 16630 HW2 SOL 5019 3.430 8.440 33.280 1.00 0.00 H +ATOM 16631 OW SOL 5020 6.840 37.940 16.960 1.00 0.00 O +ATOM 16632 HW1 SOL 5020 6.050 37.690 16.490 1.00 0.00 H +ATOM 16633 HW2 SOL 5020 6.910 37.320 17.680 1.00 0.00 H +ATOM 16634 OW SOL 5021 63.540 17.150 32.180 1.00 0.00 O +ATOM 16635 HW1 SOL 5021 63.000 16.370 32.120 1.00 0.00 H +ATOM 16636 HW2 SOL 5021 63.100 17.700 32.830 1.00 0.00 H +ATOM 16637 OW SOL 5022 14.640 9.950 21.440 1.00 0.00 O +ATOM 16638 HW1 SOL 5022 15.410 9.390 21.320 1.00 0.00 H +ATOM 16639 HW2 SOL 5022 14.960 10.680 21.970 1.00 0.00 H +ATOM 16640 OW SOL 5023 9.430 12.540 16.910 1.00 0.00 O +ATOM 16641 HW1 SOL 5023 9.310 12.320 17.830 1.00 0.00 H +ATOM 16642 HW2 SOL 5023 10.330 12.860 16.860 1.00 0.00 H +ATOM 16643 OW SOL 5024 42.770 4.510 25.200 1.00 0.00 O +ATOM 16644 HW1 SOL 5024 41.820 4.500 25.350 1.00 0.00 H +ATOM 16645 HW2 SOL 5024 42.940 5.390 24.850 1.00 0.00 H +ATOM 16646 OW SOL 5025 22.620 55.320 4.160 1.00 0.00 O +ATOM 16647 HW1 SOL 5025 22.620 55.430 3.210 1.00 0.00 H +ATOM 16648 HW2 SOL 5025 22.650 56.210 4.510 1.00 0.00 H +ATOM 16649 OW SOL 5026 28.420 23.420 28.530 1.00 0.00 O +ATOM 16650 HW1 SOL 5026 28.720 22.520 28.450 1.00 0.00 H +ATOM 16651 HW2 SOL 5026 27.840 23.550 27.780 1.00 0.00 H +ATOM 16652 OW SOL 5027 43.970 41.770 44.670 1.00 0.00 O +ATOM 16653 HW1 SOL 5027 44.070 42.590 45.160 1.00 0.00 H +ATOM 16654 HW2 SOL 5027 44.860 41.560 44.380 1.00 0.00 H +ATOM 16655 OW SOL 5028 61.470 10.480 0.470 1.00 0.00 O +ATOM 16656 HW1 SOL 5028 61.910 10.120 -0.300 1.00 0.00 H +ATOM 16657 HW2 SOL 5028 61.520 11.430 0.360 1.00 0.00 H +ATOM 16658 OW SOL 5029 4.900 40.090 8.250 1.00 0.00 O +ATOM 16659 HW1 SOL 5029 5.800 40.380 8.400 1.00 0.00 H +ATOM 16660 HW2 SOL 5029 4.980 39.400 7.600 1.00 0.00 H +ATOM 16661 OW SOL 5030 19.690 14.020 15.140 1.00 0.00 O +ATOM 16662 HW1 SOL 5030 20.590 14.320 15.010 1.00 0.00 H +ATOM 16663 HW2 SOL 5030 19.210 14.340 14.380 1.00 0.00 H +ATOM 16664 OW SOL 5031 10.920 46.810 47.070 1.00 0.00 O +ATOM 16665 HW1 SOL 5031 10.460 47.490 47.550 1.00 0.00 H +ATOM 16666 HW2 SOL 5031 11.240 46.210 47.740 1.00 0.00 H +ATOM 16667 OW SOL 5032 58.460 46.130 18.540 1.00 0.00 O +ATOM 16668 HW1 SOL 5032 57.960 46.870 18.190 1.00 0.00 H +ATOM 16669 HW2 SOL 5032 57.830 45.410 18.580 1.00 0.00 H +ATOM 16670 OW SOL 5033 54.290 27.700 36.490 1.00 0.00 O +ATOM 16671 HW1 SOL 5033 55.010 27.450 37.070 1.00 0.00 H +ATOM 16672 HW2 SOL 5033 54.670 28.370 35.910 1.00 0.00 H +ATOM 16673 OW SOL 5034 5.250 13.500 11.060 1.00 0.00 O +ATOM 16674 HW1 SOL 5034 5.360 13.700 11.990 1.00 0.00 H +ATOM 16675 HW2 SOL 5034 5.770 12.710 10.920 1.00 0.00 H +ATOM 16676 OW SOL 5035 51.870 12.290 25.770 1.00 0.00 O +ATOM 16677 HW1 SOL 5035 52.300 11.620 26.300 1.00 0.00 H +ATOM 16678 HW2 SOL 5035 52.330 12.270 24.940 1.00 0.00 H +ATOM 16679 OW SOL 5036 14.460 39.500 47.130 1.00 0.00 O +ATOM 16680 HW1 SOL 5036 14.570 38.660 46.680 1.00 0.00 H +ATOM 16681 HW2 SOL 5036 14.340 39.260 48.050 1.00 0.00 H +ATOM 16682 OW SOL 5037 10.800 9.180 44.020 1.00 0.00 O +ATOM 16683 HW1 SOL 5037 10.900 10.090 43.720 1.00 0.00 H +ATOM 16684 HW2 SOL 5037 9.880 9.110 44.270 1.00 0.00 H +ATOM 16685 OW SOL 5038 0.190 9.510 45.440 1.00 0.00 O +ATOM 16686 HW1 SOL 5038 0.660 10.100 44.850 1.00 0.00 H +ATOM 16687 HW2 SOL 5038 0.040 8.720 44.930 1.00 0.00 H +ATOM 16688 OW SOL 5039 11.320 1.780 13.030 1.00 0.00 O +ATOM 16689 HW1 SOL 5039 12.180 1.720 12.600 1.00 0.00 H +ATOM 16690 HW2 SOL 5039 10.690 1.630 12.330 1.00 0.00 H +ATOM 16691 OW SOL 5040 37.670 26.060 29.210 1.00 0.00 O +ATOM 16692 HW1 SOL 5040 37.660 27.000 29.430 1.00 0.00 H +ATOM 16693 HW2 SOL 5040 38.590 25.870 29.030 1.00 0.00 H +ATOM 16694 OW SOL 5041 17.980 32.870 18.120 1.00 0.00 O +ATOM 16695 HW1 SOL 5041 18.230 33.790 18.050 1.00 0.00 H +ATOM 16696 HW2 SOL 5041 18.710 32.390 17.730 1.00 0.00 H +ATOM 16697 OW SOL 5042 58.950 8.310 10.470 1.00 0.00 O +ATOM 16698 HW1 SOL 5042 58.230 8.540 11.050 1.00 0.00 H +ATOM 16699 HW2 SOL 5042 59.730 8.670 10.910 1.00 0.00 H +ATOM 16700 OW SOL 5043 17.090 6.330 48.060 1.00 0.00 O +ATOM 16701 HW1 SOL 5043 17.770 5.740 47.750 1.00 0.00 H +ATOM 16702 HW2 SOL 5043 17.540 7.160 48.220 1.00 0.00 H +ATOM 16703 OW SOL 5044 25.310 41.210 13.100 1.00 0.00 O +ATOM 16704 HW1 SOL 5044 24.490 40.720 13.130 1.00 0.00 H +ATOM 16705 HW2 SOL 5044 25.980 40.550 12.900 1.00 0.00 H +ATOM 16706 OW SOL 5045 34.240 26.250 43.960 1.00 0.00 O +ATOM 16707 HW1 SOL 5045 34.870 25.560 43.720 1.00 0.00 H +ATOM 16708 HW2 SOL 5045 34.180 26.200 44.910 1.00 0.00 H +ATOM 16709 OW SOL 5046 5.700 22.830 37.840 1.00 0.00 O +ATOM 16710 HW1 SOL 5046 6.240 23.320 38.460 1.00 0.00 H +ATOM 16711 HW2 SOL 5046 5.540 23.440 37.130 1.00 0.00 H +ATOM 16712 OW SOL 5047 31.490 34.880 41.060 1.00 0.00 O +ATOM 16713 HW1 SOL 5047 32.320 35.040 41.500 1.00 0.00 H +ATOM 16714 HW2 SOL 5047 31.250 35.730 40.690 1.00 0.00 H +ATOM 16715 OW SOL 5048 51.610 6.280 36.880 1.00 0.00 O +ATOM 16716 HW1 SOL 5048 51.880 7.150 36.590 1.00 0.00 H +ATOM 16717 HW2 SOL 5048 52.200 5.680 36.430 1.00 0.00 H +ATOM 16718 OW SOL 5049 57.850 13.090 44.040 1.00 0.00 O +ATOM 16719 HW1 SOL 5049 57.020 13.340 44.450 1.00 0.00 H +ATOM 16720 HW2 SOL 5049 57.800 13.460 43.160 1.00 0.00 H +ATOM 16721 OW SOL 5050 6.500 38.970 13.070 1.00 0.00 O +ATOM 16722 HW1 SOL 5050 6.170 38.130 13.380 1.00 0.00 H +ATOM 16723 HW2 SOL 5050 5.860 39.250 12.410 1.00 0.00 H +ATOM 16724 OW SOL 5051 6.980 47.370 43.000 1.00 0.00 O +ATOM 16725 HW1 SOL 5051 6.750 48.240 43.320 1.00 0.00 H +ATOM 16726 HW2 SOL 5051 7.740 47.520 42.440 1.00 0.00 H +ATOM 16727 OW SOL 5052 9.450 56.340 31.030 1.00 0.00 O +ATOM 16728 HW1 SOL 5052 9.180 55.660 30.410 1.00 0.00 H +ATOM 16729 HW2 SOL 5052 9.340 57.160 30.550 1.00 0.00 H +ATOM 16730 OW SOL 5053 14.210 28.520 2.510 1.00 0.00 O +ATOM 16731 HW1 SOL 5053 14.900 29.130 2.770 1.00 0.00 H +ATOM 16732 HW2 SOL 5053 14.170 28.600 1.560 1.00 0.00 H +ATOM 16733 OW SOL 5054 46.130 12.620 53.300 1.00 0.00 O +ATOM 16734 HW1 SOL 5054 45.450 12.330 53.900 1.00 0.00 H +ATOM 16735 HW2 SOL 5054 46.160 13.570 53.410 1.00 0.00 H +ATOM 16736 OW SOL 5055 0.910 41.320 18.940 1.00 0.00 O +ATOM 16737 HW1 SOL 5055 1.670 41.410 18.370 1.00 0.00 H +ATOM 16738 HW2 SOL 5055 0.670 42.220 19.160 1.00 0.00 H +ATOM 16739 OW SOL 5056 20.440 12.180 18.020 1.00 0.00 O +ATOM 16740 HW1 SOL 5056 20.230 11.570 17.320 1.00 0.00 H +ATOM 16741 HW2 SOL 5056 21.340 12.470 17.820 1.00 0.00 H +ATOM 16742 OW SOL 5057 29.430 6.640 30.750 1.00 0.00 O +ATOM 16743 HW1 SOL 5057 28.510 6.850 30.650 1.00 0.00 H +ATOM 16744 HW2 SOL 5057 29.850 7.460 31.000 1.00 0.00 H +ATOM 16745 OW SOL 5058 27.470 55.750 3.920 1.00 0.00 O +ATOM 16746 HW1 SOL 5058 27.310 55.160 3.180 1.00 0.00 H +ATOM 16747 HW2 SOL 5058 27.940 55.210 4.560 1.00 0.00 H +ATOM 16748 OW SOL 5059 27.450 6.800 37.660 1.00 0.00 O +ATOM 16749 HW1 SOL 5059 27.570 7.040 38.580 1.00 0.00 H +ATOM 16750 HW2 SOL 5059 28.190 7.210 37.210 1.00 0.00 H +ATOM 16751 OW SOL 5060 60.450 1.330 32.380 1.00 0.00 O +ATOM 16752 HW1 SOL 5060 60.750 2.040 31.800 1.00 0.00 H +ATOM 16753 HW2 SOL 5060 59.880 1.770 33.010 1.00 0.00 H +ATOM 16754 OW SOL 5061 55.030 56.460 34.140 1.00 0.00 O +ATOM 16755 HW1 SOL 5061 54.690 57.230 34.590 1.00 0.00 H +ATOM 16756 HW2 SOL 5061 54.460 56.360 33.370 1.00 0.00 H +ATOM 16757 OW SOL 5062 24.170 4.110 37.940 1.00 0.00 O +ATOM 16758 HW1 SOL 5062 24.610 4.030 38.780 1.00 0.00 H +ATOM 16759 HW2 SOL 5062 23.570 3.370 37.900 1.00 0.00 H +ATOM 16760 OW SOL 5063 33.560 53.930 7.710 1.00 0.00 O +ATOM 16761 HW1 SOL 5063 32.850 53.620 7.140 1.00 0.00 H +ATOM 16762 HW2 SOL 5063 33.170 53.950 8.590 1.00 0.00 H +ATOM 16763 OW SOL 5064 64.090 12.790 16.530 1.00 0.00 O +ATOM 16764 HW1 SOL 5064 63.570 12.210 15.980 1.00 0.00 H +ATOM 16765 HW2 SOL 5064 63.510 13.020 17.260 1.00 0.00 H +ATOM 16766 OW SOL 5065 13.410 0.460 9.370 1.00 0.00 O +ATOM 16767 HW1 SOL 5065 13.920 0.140 8.630 1.00 0.00 H +ATOM 16768 HW2 SOL 5065 12.500 0.330 9.100 1.00 0.00 H +ATOM 16769 OW SOL 5066 16.900 32.660 32.070 1.00 0.00 O +ATOM 16770 HW1 SOL 5066 16.040 33.030 31.890 1.00 0.00 H +ATOM 16771 HW2 SOL 5066 17.070 32.070 31.340 1.00 0.00 H +ATOM 16772 OW SOL 5067 28.470 43.420 12.130 1.00 0.00 O +ATOM 16773 HW1 SOL 5067 28.340 44.360 12.060 1.00 0.00 H +ATOM 16774 HW2 SOL 5067 27.640 43.040 11.850 1.00 0.00 H +ATOM 16775 OW SOL 5068 51.190 49.610 47.290 1.00 0.00 O +ATOM 16776 HW1 SOL 5068 50.990 49.070 48.050 1.00 0.00 H +ATOM 16777 HW2 SOL 5068 50.470 49.440 46.680 1.00 0.00 H +ATOM 16778 OW SOL 5069 6.600 50.080 12.410 1.00 0.00 O +ATOM 16779 HW1 SOL 5069 6.620 50.500 11.560 1.00 0.00 H +ATOM 16780 HW2 SOL 5069 5.670 49.880 12.560 1.00 0.00 H +ATOM 16781 OW SOL 5070 5.110 46.430 45.410 1.00 0.00 O +ATOM 16782 HW1 SOL 5070 6.030 46.400 45.150 1.00 0.00 H +ATOM 16783 HW2 SOL 5070 5.070 47.140 46.050 1.00 0.00 H +ATOM 16784 OW SOL 5071 7.810 20.620 24.430 1.00 0.00 O +ATOM 16785 HW1 SOL 5071 7.690 20.980 23.550 1.00 0.00 H +ATOM 16786 HW2 SOL 5071 6.920 20.500 24.760 1.00 0.00 H +ATOM 16787 OW SOL 5072 13.360 59.010 31.070 1.00 0.00 O +ATOM 16788 HW1 SOL 5072 13.480 59.940 31.250 1.00 0.00 H +ATOM 16789 HW2 SOL 5072 13.820 58.570 31.780 1.00 0.00 H +ATOM 16790 OW SOL 5073 57.800 30.080 28.870 1.00 0.00 O +ATOM 16791 HW1 SOL 5073 57.290 29.440 29.380 1.00 0.00 H +ATOM 16792 HW2 SOL 5073 57.510 29.950 27.970 1.00 0.00 H +ATOM 16793 OW SOL 5074 21.520 30.970 7.680 1.00 0.00 O +ATOM 16794 HW1 SOL 5074 22.440 30.740 7.800 1.00 0.00 H +ATOM 16795 HW2 SOL 5074 21.520 31.930 7.640 1.00 0.00 H +ATOM 16796 OW SOL 5075 56.330 42.670 47.570 1.00 0.00 O +ATOM 16797 HW1 SOL 5075 55.390 42.690 47.750 1.00 0.00 H +ATOM 16798 HW2 SOL 5075 56.580 43.590 47.500 1.00 0.00 H +ATOM 16799 OW SOL 5076 57.970 12.650 8.360 1.00 0.00 O +ATOM 16800 HW1 SOL 5076 57.650 12.120 7.630 1.00 0.00 H +ATOM 16801 HW2 SOL 5076 57.970 12.060 9.110 1.00 0.00 H +ATOM 16802 OW SOL 5077 64.600 22.030 26.920 1.00 0.00 O +ATOM 16803 HW1 SOL 5077 65.300 21.440 27.220 1.00 0.00 H +ATOM 16804 HW2 SOL 5077 64.880 22.900 27.200 1.00 0.00 H +ATOM 16805 OW SOL 5078 2.280 23.320 36.780 1.00 0.00 O +ATOM 16806 HW1 SOL 5078 2.050 22.530 36.300 1.00 0.00 H +ATOM 16807 HW2 SOL 5078 3.070 23.640 36.350 1.00 0.00 H +ATOM 16808 OW SOL 5079 1.800 20.240 21.420 1.00 0.00 O +ATOM 16809 HW1 SOL 5079 1.340 20.940 21.870 1.00 0.00 H +ATOM 16810 HW2 SOL 5079 2.300 20.680 20.730 1.00 0.00 H +ATOM 16811 OW SOL 5080 10.360 13.110 48.390 1.00 0.00 O +ATOM 16812 HW1 SOL 5080 10.030 12.640 47.620 1.00 0.00 H +ATOM 16813 HW2 SOL 5080 10.230 14.030 48.190 1.00 0.00 H +ATOM 16814 OW SOL 5081 36.010 17.110 2.110 1.00 0.00 O +ATOM 16815 HW1 SOL 5081 36.960 17.250 2.160 1.00 0.00 H +ATOM 16816 HW2 SOL 5081 35.820 16.550 2.860 1.00 0.00 H +ATOM 16817 OW SOL 5082 41.010 44.960 0.910 1.00 0.00 O +ATOM 16818 HW1 SOL 5082 40.820 45.890 1.000 1.00 0.00 H +ATOM 16819 HW2 SOL 5082 41.740 44.800 1.500 1.00 0.00 H +ATOM 16820 OW SOL 5083 45.760 20.950 29.650 1.00 0.00 O +ATOM 16821 HW1 SOL 5083 45.430 20.200 30.140 1.00 0.00 H +ATOM 16822 HW2 SOL 5083 44.970 21.450 29.420 1.00 0.00 H +ATOM 16823 OW SOL 5084 28.060 11.120 1.350 1.00 0.00 O +ATOM 16824 HW1 SOL 5084 27.660 11.980 1.300 1.00 0.00 H +ATOM 16825 HW2 SOL 5084 27.920 10.840 2.250 1.00 0.00 H +ATOM 16826 OW SOL 5085 47.780 22.670 53.270 1.00 0.00 O +ATOM 16827 HW1 SOL 5085 47.910 23.500 53.720 1.00 0.00 H +ATOM 16828 HW2 SOL 5085 48.580 22.540 52.770 1.00 0.00 H +ATOM 16829 OW SOL 5086 47.420 33.230 52.270 1.00 0.00 O +ATOM 16830 HW1 SOL 5086 47.110 32.350 52.060 1.00 0.00 H +ATOM 16831 HW2 SOL 5086 47.050 33.410 53.140 1.00 0.00 H +ATOM 16832 OW SOL 5087 16.460 46.230 51.390 1.00 0.00 O +ATOM 16833 HW1 SOL 5087 16.380 47.140 51.670 1.00 0.00 H +ATOM 16834 HW2 SOL 5087 17.290 46.190 50.910 1.00 0.00 H +ATOM 16835 OW SOL 5088 43.150 5.050 44.310 1.00 0.00 O +ATOM 16836 HW1 SOL 5088 42.330 5.510 44.490 1.00 0.00 H +ATOM 16837 HW2 SOL 5088 43.250 5.090 43.360 1.00 0.00 H +ATOM 16838 OW SOL 5089 44.700 22.370 41.310 1.00 0.00 O +ATOM 16839 HW1 SOL 5089 44.530 22.160 40.390 1.00 0.00 H +ATOM 16840 HW2 SOL 5089 45.650 22.470 41.360 1.00 0.00 H +ATOM 16841 OW SOL 5090 49.860 42.980 43.190 1.00 0.00 O +ATOM 16842 HW1 SOL 5090 49.270 43.730 43.310 1.00 0.00 H +ATOM 16843 HW2 SOL 5090 49.900 42.860 42.240 1.00 0.00 H +ATOM 16844 OW SOL 5091 34.770 54.560 -0.010 1.00 0.00 O +ATOM 16845 HW1 SOL 5091 33.930 54.990 -0.160 1.00 0.00 H +ATOM 16846 HW2 SOL 5091 35.200 55.090 0.660 1.00 0.00 H +ATOM 16847 OW SOL 5092 14.760 54.900 32.270 1.00 0.00 O +ATOM 16848 HW1 SOL 5092 15.240 54.160 31.900 1.00 0.00 H +ATOM 16849 HW2 SOL 5092 14.150 54.510 32.890 1.00 0.00 H +ATOM 16850 OW SOL 5093 24.570 27.980 24.660 1.00 0.00 O +ATOM 16851 HW1 SOL 5093 24.500 27.040 24.860 1.00 0.00 H +ATOM 16852 HW2 SOL 5093 25.510 28.120 24.540 1.00 0.00 H +ATOM 16853 OW SOL 5094 55.650 28.720 32.560 1.00 0.00 O +ATOM 16854 HW1 SOL 5094 55.490 28.830 33.500 1.00 0.00 H +ATOM 16855 HW2 SOL 5094 55.100 29.380 32.140 1.00 0.00 H +ATOM 16856 OW SOL 5095 54.100 25.230 17.300 1.00 0.00 O +ATOM 16857 HW1 SOL 5095 55.020 24.960 17.330 1.00 0.00 H +ATOM 16858 HW2 SOL 5095 53.610 24.410 17.400 1.00 0.00 H +ATOM 16859 OW SOL 5096 43.530 61.610 9.330 1.00 0.00 O +ATOM 16860 HW1 SOL 5096 43.770 62.330 8.760 1.00 0.00 H +ATOM 16861 HW2 SOL 5096 44.310 61.460 9.870 1.00 0.00 H +ATOM 16862 OW SOL 5097 16.870 29.130 46.280 1.00 0.00 O +ATOM 16863 HW1 SOL 5097 17.770 29.170 46.610 1.00 0.00 H +ATOM 16864 HW2 SOL 5097 16.880 28.440 45.620 1.00 0.00 H +ATOM 16865 OW SOL 5098 33.550 16.380 39.720 1.00 0.00 O +ATOM 16866 HW1 SOL 5098 33.620 15.500 39.330 1.00 0.00 H +ATOM 16867 HW2 SOL 5098 34.420 16.560 40.060 1.00 0.00 H +ATOM 16868 OW SOL 5099 14.950 40.340 37.110 1.00 0.00 O +ATOM 16869 HW1 SOL 5099 14.180 40.740 37.520 1.00 0.00 H +ATOM 16870 HW2 SOL 5099 15.500 40.070 37.850 1.00 0.00 H +ATOM 16871 OW SOL 5100 3.210 32.910 51.900 1.00 0.00 O +ATOM 16872 HW1 SOL 5100 2.390 33.080 51.430 1.00 0.00 H +ATOM 16873 HW2 SOL 5100 3.150 31.980 52.150 1.00 0.00 H +ATOM 16874 OW SOL 5101 10.190 6.310 34.190 1.00 0.00 O +ATOM 16875 HW1 SOL 5101 9.680 6.600 33.440 1.00 0.00 H +ATOM 16876 HW2 SOL 5101 9.560 5.880 34.760 1.00 0.00 H +ATOM 16877 OW SOL 5102 19.810 1.440 16.020 1.00 0.00 O +ATOM 16878 HW1 SOL 5102 19.040 1.320 15.470 1.00 0.00 H +ATOM 16879 HW2 SOL 5102 19.740 2.340 16.340 1.00 0.00 H +ATOM 16880 OW SOL 5103 13.590 23.200 39.560 1.00 0.00 O +ATOM 16881 HW1 SOL 5103 12.780 23.660 39.370 1.00 0.00 H +ATOM 16882 HW2 SOL 5103 13.340 22.280 39.630 1.00 0.00 H +ATOM 16883 OW SOL 5104 47.400 46.840 41.480 1.00 0.00 O +ATOM 16884 HW1 SOL 5104 46.600 47.330 41.650 1.00 0.00 H +ATOM 16885 HW2 SOL 5104 47.950 47.010 42.250 1.00 0.00 H +ATOM 16886 OW SOL 5105 58.330 23.950 0.880 1.00 0.00 O +ATOM 16887 HW1 SOL 5105 57.510 23.740 0.430 1.00 0.00 H +ATOM 16888 HW2 SOL 5105 58.840 24.450 0.240 1.00 0.00 H +ATOM 16889 OW SOL 5106 32.720 14.190 45.440 1.00 0.00 O +ATOM 16890 HW1 SOL 5106 32.730 15.010 45.920 1.00 0.00 H +ATOM 16891 HW2 SOL 5106 33.190 13.570 46.000 1.00 0.00 H +ATOM 16892 OW SOL 5107 56.380 19.580 16.790 1.00 0.00 O +ATOM 16893 HW1 SOL 5107 57.040 18.910 16.640 1.00 0.00 H +ATOM 16894 HW2 SOL 5107 55.790 19.530 16.040 1.00 0.00 H +ATOM 16895 OW SOL 5108 53.500 39.270 13.130 1.00 0.00 O +ATOM 16896 HW1 SOL 5108 53.870 39.260 14.020 1.00 0.00 H +ATOM 16897 HW2 SOL 5108 53.310 38.350 12.940 1.00 0.00 H +ATOM 16898 OW SOL 5109 27.180 30.260 8.850 1.00 0.00 O +ATOM 16899 HW1 SOL 5109 27.380 29.320 8.870 1.00 0.00 H +ATOM 16900 HW2 SOL 5109 28.010 30.690 9.070 1.00 0.00 H +ATOM 16901 OW SOL 5110 46.620 32.640 3.310 1.00 0.00 O +ATOM 16902 HW1 SOL 5110 46.070 32.830 4.070 1.00 0.00 H +ATOM 16903 HW2 SOL 5110 47.260 32.010 3.620 1.00 0.00 H +ATOM 16904 OW SOL 5111 60.850 26.210 52.530 1.00 0.00 O +ATOM 16905 HW1 SOL 5111 60.060 26.620 52.880 1.00 0.00 H +ATOM 16906 HW2 SOL 5111 60.930 26.570 51.650 1.00 0.00 H +ATOM 16907 OW SOL 5112 3.370 61.430 24.450 1.00 0.00 O +ATOM 16908 HW1 SOL 5112 2.510 61.010 24.450 1.00 0.00 H +ATOM 16909 HW2 SOL 5112 3.780 61.130 25.260 1.00 0.00 H +ATOM 16910 OW SOL 5113 26.600 22.820 38.160 1.00 0.00 O +ATOM 16911 HW1 SOL 5113 27.300 22.450 37.620 1.00 0.00 H +ATOM 16912 HW2 SOL 5113 26.910 22.720 39.060 1.00 0.00 H +ATOM 16913 OW SOL 5114 46.170 10.130 43.630 1.00 0.00 O +ATOM 16914 HW1 SOL 5114 46.770 9.440 43.350 1.00 0.00 H +ATOM 16915 HW2 SOL 5114 45.380 9.990 43.100 1.00 0.00 H +ATOM 16916 OW SOL 5115 34.560 27.180 50.600 1.00 0.00 O +ATOM 16917 HW1 SOL 5115 35.280 27.220 49.970 1.00 0.00 H +ATOM 16918 HW2 SOL 5115 34.380 28.090 50.820 1.00 0.00 H +ATOM 16919 OW SOL 5116 53.700 59.730 5.910 1.00 0.00 O +ATOM 16920 HW1 SOL 5116 53.640 59.750 6.870 1.00 0.00 H +ATOM 16921 HW2 SOL 5116 54.270 60.470 5.690 1.00 0.00 H +ATOM 16922 OW SOL 5117 0.610 35.180 16.220 1.00 0.00 O +ATOM 16923 HW1 SOL 5117 0.500 34.250 16.000 1.00 0.00 H +ATOM 16924 HW2 SOL 5117 1.260 35.500 15.590 1.00 0.00 H +ATOM 16925 OW SOL 5118 50.540 37.410 21.030 1.00 0.00 O +ATOM 16926 HW1 SOL 5118 49.910 37.180 21.720 1.00 0.00 H +ATOM 16927 HW2 SOL 5118 51.380 37.440 21.480 1.00 0.00 H +ATOM 16928 OW SOL 5119 40.830 22.540 3.260 1.00 0.00 O +ATOM 16929 HW1 SOL 5119 41.650 22.310 3.700 1.00 0.00 H +ATOM 16930 HW2 SOL 5119 40.160 22.430 3.930 1.00 0.00 H +ATOM 16931 OW SOL 5120 5.530 28.980 2.570 1.00 0.00 O +ATOM 16932 HW1 SOL 5120 5.980 29.810 2.740 1.00 0.00 H +ATOM 16933 HW2 SOL 5120 5.720 28.790 1.650 1.00 0.00 H +ATOM 16934 OW SOL 5121 11.980 30.480 25.690 1.00 0.00 O +ATOM 16935 HW1 SOL 5121 11.530 30.840 24.920 1.00 0.00 H +ATOM 16936 HW2 SOL 5121 11.630 30.970 26.430 1.00 0.00 H +ATOM 16937 OW SOL 5122 11.260 7.230 24.890 1.00 0.00 O +ATOM 16938 HW1 SOL 5122 10.450 7.710 25.030 1.00 0.00 H +ATOM 16939 HW2 SOL 5122 11.630 7.620 24.100 1.00 0.00 H +ATOM 16940 OW SOL 5123 13.210 56.430 24.940 1.00 0.00 O +ATOM 16941 HW1 SOL 5123 12.580 56.630 25.640 1.00 0.00 H +ATOM 16942 HW2 SOL 5123 13.960 56.060 25.400 1.00 0.00 H +ATOM 16943 OW SOL 5124 44.170 4.820 19.750 1.00 0.00 O +ATOM 16944 HW1 SOL 5124 44.880 4.180 19.640 1.00 0.00 H +ATOM 16945 HW2 SOL 5124 43.490 4.520 19.140 1.00 0.00 H +ATOM 16946 OW SOL 5125 64.370 19.400 25.660 1.00 0.00 O +ATOM 16947 HW1 SOL 5125 64.490 19.860 26.490 1.00 0.00 H +ATOM 16948 HW2 SOL 5125 65.240 19.380 25.270 1.00 0.00 H +ATOM 16949 OW SOL 5126 1.770 56.460 17.950 1.00 0.00 O +ATOM 16950 HW1 SOL 5126 0.870 56.230 18.190 1.00 0.00 H +ATOM 16951 HW2 SOL 5126 2.070 55.730 17.410 1.00 0.00 H +ATOM 16952 OW SOL 5127 58.270 12.630 26.240 1.00 0.00 O +ATOM 16953 HW1 SOL 5127 57.710 11.980 26.660 1.00 0.00 H +ATOM 16954 HW2 SOL 5127 57.780 12.920 25.470 1.00 0.00 H +ATOM 16955 OW SOL 5128 56.580 48.400 17.990 1.00 0.00 O +ATOM 16956 HW1 SOL 5128 55.870 47.840 18.300 1.00 0.00 H +ATOM 16957 HW2 SOL 5128 56.520 49.190 18.520 1.00 0.00 H +ATOM 16958 OW SOL 5129 19.740 4.010 8.590 1.00 0.00 O +ATOM 16959 HW1 SOL 5129 19.430 4.800 9.030 1.00 0.00 H +ATOM 16960 HW2 SOL 5129 18.940 3.590 8.270 1.00 0.00 H +ATOM 16961 OW SOL 5130 49.310 8.120 11.510 1.00 0.00 O +ATOM 16962 HW1 SOL 5130 49.920 7.830 10.840 1.00 0.00 H +ATOM 16963 HW2 SOL 5130 48.560 7.530 11.420 1.00 0.00 H +ATOM 16964 OW SOL 5131 4.340 35.100 44.570 1.00 0.00 O +ATOM 16965 HW1 SOL 5131 4.140 35.340 45.480 1.00 0.00 H +ATOM 16966 HW2 SOL 5131 4.560 34.170 44.610 1.00 0.00 H +ATOM 16967 OW SOL 5132 29.510 13.970 18.430 1.00 0.00 O +ATOM 16968 HW1 SOL 5132 30.170 14.660 18.490 1.00 0.00 H +ATOM 16969 HW2 SOL 5132 29.570 13.660 17.520 1.00 0.00 H +ATOM 16970 OW SOL 5133 61.100 31.180 14.150 1.00 0.00 O +ATOM 16971 HW1 SOL 5133 61.930 31.440 13.760 1.00 0.00 H +ATOM 16972 HW2 SOL 5133 60.440 31.450 13.510 1.00 0.00 H +ATOM 16973 OW SOL 5134 48.360 21.270 30.240 1.00 0.00 O +ATOM 16974 HW1 SOL 5134 48.450 22.120 30.690 1.00 0.00 H +ATOM 16975 HW2 SOL 5134 47.420 21.130 30.200 1.00 0.00 H +ATOM 16976 OW SOL 5135 64.660 18.680 51.070 1.00 0.00 O +ATOM 16977 HW1 SOL 5135 63.760 18.350 51.150 1.00 0.00 H +ATOM 16978 HW2 SOL 5135 64.650 19.190 50.260 1.00 0.00 H +ATOM 16979 OW SOL 5136 31.640 20.300 50.890 1.00 0.00 O +ATOM 16980 HW1 SOL 5136 32.540 20.000 51.000 1.00 0.00 H +ATOM 16981 HW2 SOL 5136 31.710 21.240 50.750 1.00 0.00 H +ATOM 16982 OW SOL 5137 22.460 44.990 22.220 1.00 0.00 O +ATOM 16983 HW1 SOL 5137 23.110 45.240 21.570 1.00 0.00 H +ATOM 16984 HW2 SOL 5137 22.900 45.120 23.060 1.00 0.00 H +ATOM 16985 OW SOL 5138 58.010 49.700 0.940 1.00 0.00 O +ATOM 16986 HW1 SOL 5138 58.080 50.040 0.050 1.00 0.00 H +ATOM 16987 HW2 SOL 5138 58.030 48.750 0.840 1.00 0.00 H +ATOM 16988 OW SOL 5139 5.990 32.860 40.780 1.00 0.00 O +ATOM 16989 HW1 SOL 5139 5.900 31.910 40.650 1.00 0.00 H +ATOM 16990 HW2 SOL 5139 5.150 33.130 41.140 1.00 0.00 H +ATOM 16991 OW SOL 5140 60.270 57.710 2.230 1.00 0.00 O +ATOM 16992 HW1 SOL 5140 61.180 57.910 1.980 1.00 0.00 H +ATOM 16993 HW2 SOL 5140 60.320 57.570 3.180 1.00 0.00 H +ATOM 16994 OW SOL 5141 7.970 44.790 30.370 1.00 0.00 O +ATOM 16995 HW1 SOL 5141 8.420 44.040 30.750 1.00 0.00 H +ATOM 16996 HW2 SOL 5141 8.110 44.710 29.430 1.00 0.00 H +ATOM 16997 OW SOL 5142 24.570 8.400 20.680 1.00 0.00 O +ATOM 16998 HW1 SOL 5142 24.620 8.410 21.640 1.00 0.00 H +ATOM 16999 HW2 SOL 5142 24.030 9.170 20.460 1.00 0.00 H +ATOM 17000 OW SOL 5143 42.920 53.080 47.480 1.00 0.00 O +ATOM 17001 HW1 SOL 5143 43.380 53.710 48.030 1.00 0.00 H +ATOM 17002 HW2 SOL 5143 42.000 53.180 47.720 1.00 0.00 H +ATOM 17003 OW SOL 5144 53.230 31.690 22.680 1.00 0.00 O +ATOM 17004 HW1 SOL 5144 53.820 32.330 23.060 1.00 0.00 H +ATOM 17005 HW2 SOL 5144 52.500 32.210 22.330 1.00 0.00 H +ATOM 17006 OW SOL 5145 0.240 32.650 5.770 1.00 0.00 O +ATOM 17007 HW1 SOL 5145 0.880 32.010 5.470 1.00 0.00 H +ATOM 17008 HW2 SOL 5145 -0.300 32.830 5.000 1.00 0.00 H +ATOM 17009 OW SOL 5146 13.870 20.080 38.250 1.00 0.00 O +ATOM 17010 HW1 SOL 5146 14.750 20.200 37.900 1.00 0.00 H +ATOM 17011 HW2 SOL 5146 13.310 20.620 37.680 1.00 0.00 H +ATOM 17012 OW SOL 5147 5.570 39.180 2.150 1.00 0.00 O +ATOM 17013 HW1 SOL 5147 5.200 39.920 2.650 1.00 0.00 H +ATOM 17014 HW2 SOL 5147 5.820 38.540 2.820 1.00 0.00 H +ATOM 17015 OW SOL 5148 16.670 4.150 23.300 1.00 0.00 O +ATOM 17016 HW1 SOL 5148 17.270 4.890 23.170 1.00 0.00 H +ATOM 17017 HW2 SOL 5148 15.870 4.410 22.850 1.00 0.00 H +ATOM 17018 OW SOL 5149 57.360 39.510 11.560 1.00 0.00 O +ATOM 17019 HW1 SOL 5149 57.290 40.360 12.020 1.00 0.00 H +ATOM 17020 HW2 SOL 5149 57.770 39.720 10.730 1.00 0.00 H +ATOM 17021 OW SOL 5150 60.590 29.410 8.080 1.00 0.00 O +ATOM 17022 HW1 SOL 5150 61.340 29.240 8.650 1.00 0.00 H +ATOM 17023 HW2 SOL 5150 60.960 29.490 7.200 1.00 0.00 H +ATOM 17024 OW SOL 5151 14.200 0.320 27.300 1.00 0.00 O +ATOM 17025 HW1 SOL 5151 13.590 0.510 26.580 1.00 0.00 H +ATOM 17026 HW2 SOL 5151 14.970 0.850 27.100 1.00 0.00 H +ATOM 17027 OW SOL 5152 47.460 55.860 43.560 1.00 0.00 O +ATOM 17028 HW1 SOL 5152 46.740 56.420 43.850 1.00 0.00 H +ATOM 17029 HW2 SOL 5152 47.880 56.350 42.860 1.00 0.00 H +ATOM 17030 OW SOL 5153 50.380 47.820 44.570 1.00 0.00 O +ATOM 17031 HW1 SOL 5153 50.040 48.630 44.180 1.00 0.00 H +ATOM 17032 HW2 SOL 5153 49.600 47.290 44.740 1.00 0.00 H +ATOM 17033 OW SOL 5154 22.590 15.160 15.190 1.00 0.00 O +ATOM 17034 HW1 SOL 5154 22.780 15.990 15.630 1.00 0.00 H +ATOM 17035 HW2 SOL 5154 22.760 15.330 14.260 1.00 0.00 H +ATOM 17036 OW SOL 5155 54.780 38.850 46.340 1.00 0.00 O +ATOM 17037 HW1 SOL 5155 53.970 38.740 46.850 1.00 0.00 H +ATOM 17038 HW2 SOL 5155 54.780 38.100 45.740 1.00 0.00 H +ATOM 17039 OW SOL 5156 28.840 1.700 35.270 1.00 0.00 O +ATOM 17040 HW1 SOL 5156 28.090 2.170 34.920 1.00 0.00 H +ATOM 17041 HW2 SOL 5156 28.640 0.780 35.130 1.00 0.00 H +ATOM 17042 OW SOL 5157 62.910 37.590 33.240 1.00 0.00 O +ATOM 17043 HW1 SOL 5157 63.020 37.290 34.140 1.00 0.00 H +ATOM 17044 HW2 SOL 5157 63.290 36.900 32.700 1.00 0.00 H +ATOM 17045 OW SOL 5158 20.370 36.330 38.480 1.00 0.00 O +ATOM 17046 HW1 SOL 5158 21.320 36.300 38.430 1.00 0.00 H +ATOM 17047 HW2 SOL 5158 20.070 36.140 37.590 1.00 0.00 H +ATOM 17048 OW SOL 5159 13.900 47.490 0.720 1.00 0.00 O +ATOM 17049 HW1 SOL 5159 13.280 46.900 0.290 1.00 0.00 H +ATOM 17050 HW2 SOL 5159 13.360 48.190 1.080 1.00 0.00 H +ATOM 17051 OW SOL 5160 17.200 40.360 24.300 1.00 0.00 O +ATOM 17052 HW1 SOL 5160 16.460 40.880 24.600 1.00 0.00 H +ATOM 17053 HW2 SOL 5160 17.140 40.390 23.340 1.00 0.00 H +ATOM 17054 OW SOL 5161 47.990 44.240 30.390 1.00 0.00 O +ATOM 17055 HW1 SOL 5161 48.090 44.960 31.020 1.00 0.00 H +ATOM 17056 HW2 SOL 5161 47.260 43.720 30.730 1.00 0.00 H +ATOM 17057 OW SOL 5162 36.040 48.980 5.020 1.00 0.00 O +ATOM 17058 HW1 SOL 5162 36.640 48.410 5.490 1.00 0.00 H +ATOM 17059 HW2 SOL 5162 35.700 49.580 5.690 1.00 0.00 H +ATOM 17060 OW SOL 5163 0.570 14.000 45.030 1.00 0.00 O +ATOM 17061 HW1 SOL 5163 1.330 14.510 45.300 1.00 0.00 H +ATOM 17062 HW2 SOL 5163 0.920 13.120 44.880 1.00 0.00 H +ATOM 17063 OW SOL 5164 1.070 59.250 25.790 1.00 0.00 O +ATOM 17064 HW1 SOL 5164 0.340 59.360 26.400 1.00 0.00 H +ATOM 17065 HW2 SOL 5164 0.840 59.800 25.040 1.00 0.00 H +ATOM 17066 OW SOL 5165 14.240 51.460 43.550 1.00 0.00 O +ATOM 17067 HW1 SOL 5165 15.000 51.230 43.000 1.00 0.00 H +ATOM 17068 HW2 SOL 5165 13.740 50.650 43.600 1.00 0.00 H +ATOM 17069 OW SOL 5166 43.350 37.480 35.590 1.00 0.00 O +ATOM 17070 HW1 SOL 5166 43.630 36.800 36.190 1.00 0.00 H +ATOM 17071 HW2 SOL 5166 42.770 37.030 34.970 1.00 0.00 H +ATOM 17072 OW SOL 5167 38.030 38.370 9.250 1.00 0.00 O +ATOM 17073 HW1 SOL 5167 37.570 37.780 9.840 1.00 0.00 H +ATOM 17074 HW2 SOL 5167 37.620 38.220 8.400 1.00 0.00 H +ATOM 17075 OW SOL 5168 7.790 43.250 34.280 1.00 0.00 O +ATOM 17076 HW1 SOL 5168 7.190 42.820 34.900 1.00 0.00 H +ATOM 17077 HW2 SOL 5168 7.860 42.630 33.550 1.00 0.00 H +ATOM 17078 OW SOL 5169 10.910 59.980 33.860 1.00 0.00 O +ATOM 17079 HW1 SOL 5169 11.240 59.160 33.490 1.00 0.00 H +ATOM 17080 HW2 SOL 5169 11.290 60.020 34.740 1.00 0.00 H +ATOM 17081 OW SOL 5170 19.920 23.000 33.330 1.00 0.00 O +ATOM 17082 HW1 SOL 5170 20.530 23.720 33.430 1.00 0.00 H +ATOM 17083 HW2 SOL 5170 20.390 22.340 32.820 1.00 0.00 H +ATOM 17084 OW SOL 5171 2.980 61.770 11.560 1.00 0.00 O +ATOM 17085 HW1 SOL 5171 2.420 61.000 11.470 1.00 0.00 H +ATOM 17086 HW2 SOL 5171 2.440 62.400 12.040 1.00 0.00 H +ATOM 17087 OW SOL 5172 36.920 31.650 2.600 1.00 0.00 O +ATOM 17088 HW1 SOL 5172 36.980 31.890 3.530 1.00 0.00 H +ATOM 17089 HW2 SOL 5172 37.650 31.040 2.460 1.00 0.00 H +ATOM 17090 OW SOL 5173 10.870 59.790 14.580 1.00 0.00 O +ATOM 17091 HW1 SOL 5173 9.950 59.920 14.790 1.00 0.00 H +ATOM 17092 HW2 SOL 5173 10.880 59.150 13.880 1.00 0.00 H +ATOM 17093 OW SOL 5174 14.450 13.440 22.940 1.00 0.00 O +ATOM 17094 HW1 SOL 5174 13.580 13.470 22.540 1.00 0.00 H +ATOM 17095 HW2 SOL 5174 15.020 13.850 22.290 1.00 0.00 H +ATOM 17096 OW SOL 5175 13.480 47.040 11.930 1.00 0.00 O +ATOM 17097 HW1 SOL 5175 12.610 47.140 11.530 1.00 0.00 H +ATOM 17098 HW2 SOL 5175 13.350 47.270 12.850 1.00 0.00 H +ATOM 17099 OW SOL 5176 20.250 17.170 1.340 1.00 0.00 O +ATOM 17100 HW1 SOL 5176 21.190 17.350 1.390 1.00 0.00 H +ATOM 17101 HW2 SOL 5176 19.950 17.690 0.600 1.00 0.00 H +ATOM 17102 OW SOL 5177 55.370 30.500 10.200 1.00 0.00 O +ATOM 17103 HW1 SOL 5177 55.660 30.670 9.310 1.00 0.00 H +ATOM 17104 HW2 SOL 5177 56.000 29.860 10.540 1.00 0.00 H +ATOM 17105 OW SOL 5178 29.390 61.090 45.230 1.00 0.00 O +ATOM 17106 HW1 SOL 5178 29.850 61.930 45.240 1.00 0.00 H +ATOM 17107 HW2 SOL 5178 29.880 60.550 44.610 1.00 0.00 H +ATOM 17108 OW SOL 5179 54.290 48.250 21.840 1.00 0.00 O +ATOM 17109 HW1 SOL 5179 54.180 48.830 21.090 1.00 0.00 H +ATOM 17110 HW2 SOL 5179 55.040 48.620 22.320 1.00 0.00 H +ATOM 17111 OW SOL 5180 45.940 52.670 31.010 1.00 0.00 O +ATOM 17112 HW1 SOL 5180 46.190 51.820 30.630 1.00 0.00 H +ATOM 17113 HW2 SOL 5180 45.400 52.440 31.760 1.00 0.00 H +ATOM 17114 OW SOL 5181 23.160 4.640 51.470 1.00 0.00 O +ATOM 17115 HW1 SOL 5181 23.350 3.710 51.440 1.00 0.00 H +ATOM 17116 HW2 SOL 5181 22.350 4.740 50.970 1.00 0.00 H +ATOM 17117 OW SOL 5182 10.730 61.330 16.810 1.00 0.00 O +ATOM 17118 HW1 SOL 5182 11.040 60.860 16.040 1.00 0.00 H +ATOM 17119 HW2 SOL 5182 10.680 62.240 16.530 1.00 0.00 H +ATOM 17120 OW SOL 5183 2.390 35.320 14.080 1.00 0.00 O +ATOM 17121 HW1 SOL 5183 2.640 34.420 14.280 1.00 0.00 H +ATOM 17122 HW2 SOL 5183 1.690 35.230 13.430 1.00 0.00 H +ATOM 17123 OW SOL 5184 23.650 12.060 21.710 1.00 0.00 O +ATOM 17124 HW1 SOL 5184 22.910 12.640 21.520 1.00 0.00 H +ATOM 17125 HW2 SOL 5184 23.610 11.390 21.030 1.00 0.00 H +ATOM 17126 OW SOL 5185 43.510 4.170 5.620 1.00 0.00 O +ATOM 17127 HW1 SOL 5185 43.520 3.600 4.860 1.00 0.00 H +ATOM 17128 HW2 SOL 5185 42.720 3.920 6.100 1.00 0.00 H +ATOM 17129 OW SOL 5186 0.230 13.310 23.760 1.00 0.00 O +ATOM 17130 HW1 SOL 5186 -0.650 13.320 23.390 1.00 0.00 H +ATOM 17131 HW2 SOL 5186 0.460 12.380 23.810 1.00 0.00 H +ATOM 17132 OW SOL 5187 41.850 26.840 9.800 1.00 0.00 O +ATOM 17133 HW1 SOL 5187 42.280 27.480 9.230 1.00 0.00 H +ATOM 17134 HW2 SOL 5187 42.450 26.710 10.530 1.00 0.00 H +ATOM 17135 OW SOL 5188 36.940 50.580 53.090 1.00 0.00 O +ATOM 17136 HW1 SOL 5188 36.250 50.970 53.620 1.00 0.00 H +ATOM 17137 HW2 SOL 5188 36.520 49.840 52.650 1.00 0.00 H +ATOM 17138 OW SOL 5189 39.870 6.840 14.560 1.00 0.00 O +ATOM 17139 HW1 SOL 5189 40.590 6.260 14.830 1.00 0.00 H +ATOM 17140 HW2 SOL 5189 39.920 7.580 15.160 1.00 0.00 H +ATOM 17141 OW SOL 5190 3.990 5.260 3.950 1.00 0.00 O +ATOM 17142 HW1 SOL 5190 3.070 5.230 4.220 1.00 0.00 H +ATOM 17143 HW2 SOL 5190 4.280 6.140 4.200 1.00 0.00 H +ATOM 17144 OW SOL 5191 38.550 8.920 39.030 1.00 0.00 O +ATOM 17145 HW1 SOL 5191 39.410 8.830 39.450 1.00 0.00 H +ATOM 17146 HW2 SOL 5191 37.960 8.400 39.580 1.00 0.00 H +ATOM 17147 OW SOL 5192 55.170 7.250 32.200 1.00 0.00 O +ATOM 17148 HW1 SOL 5192 54.450 6.750 31.820 1.00 0.00 H +ATOM 17149 HW2 SOL 5192 55.390 7.910 31.540 1.00 0.00 H +ATOM 17150 OW SOL 5193 42.960 60.170 40.530 1.00 0.00 O +ATOM 17151 HW1 SOL 5193 43.680 60.050 39.910 1.00 0.00 H +ATOM 17152 HW2 SOL 5193 43.180 60.960 41.020 1.00 0.00 H +ATOM 17153 OW SOL 5194 36.470 16.720 16.030 1.00 0.00 O +ATOM 17154 HW1 SOL 5194 36.600 17.330 15.310 1.00 0.00 H +ATOM 17155 HW2 SOL 5194 37.350 16.380 16.220 1.00 0.00 H +ATOM 17156 OW SOL 5195 64.710 55.530 8.720 1.00 0.00 O +ATOM 17157 HW1 SOL 5195 65.570 55.220 8.440 1.00 0.00 H +ATOM 17158 HW2 SOL 5195 64.840 55.780 9.640 1.00 0.00 H +ATOM 17159 OW SOL 5196 48.680 24.210 20.150 1.00 0.00 O +ATOM 17160 HW1 SOL 5196 49.310 23.620 19.740 1.00 0.00 H +ATOM 17161 HW2 SOL 5196 48.600 24.940 19.540 1.00 0.00 H +ATOM 17162 OW SOL 5197 35.510 0.640 50.390 1.00 0.00 O +ATOM 17163 HW1 SOL 5197 35.150 -0.190 50.680 1.00 0.00 H +ATOM 17164 HW2 SOL 5197 35.240 1.270 51.060 1.00 0.00 H +ATOM 17165 OW SOL 5198 64.600 19.440 48.320 1.00 0.00 O +ATOM 17166 HW1 SOL 5198 64.060 18.800 47.860 1.00 0.00 H +ATOM 17167 HW2 SOL 5198 64.310 20.290 47.960 1.00 0.00 H +ATOM 17168 OW SOL 5199 49.200 26.140 23.020 1.00 0.00 O +ATOM 17169 HW1 SOL 5199 49.850 25.530 22.660 1.00 0.00 H +ATOM 17170 HW2 SOL 5199 48.820 26.560 22.250 1.00 0.00 H +ATOM 17171 OW SOL 5200 38.460 28.850 39.230 1.00 0.00 O +ATOM 17172 HW1 SOL 5200 39.330 28.840 38.840 1.00 0.00 H +ATOM 17173 HW2 SOL 5200 38.610 28.590 40.140 1.00 0.00 H +ATOM 17174 OW SOL 5201 60.840 28.950 2.480 1.00 0.00 O +ATOM 17175 HW1 SOL 5201 61.470 28.230 2.380 1.00 0.00 H +ATOM 17176 HW2 SOL 5201 61.120 29.610 1.840 1.00 0.00 H +ATOM 17177 OW SOL 5202 1.520 49.180 1.910 1.00 0.00 O +ATOM 17178 HW1 SOL 5202 0.840 48.510 1.880 1.00 0.00 H +ATOM 17179 HW2 SOL 5202 1.140 49.920 1.420 1.00 0.00 H +ATOM 17180 OW SOL 5203 14.880 25.660 43.770 1.00 0.00 O +ATOM 17181 HW1 SOL 5203 14.060 26.000 44.110 1.00 0.00 H +ATOM 17182 HW2 SOL 5203 14.670 25.330 42.900 1.00 0.00 H +ATOM 17183 OW SOL 5204 52.980 11.090 1.340 1.00 0.00 O +ATOM 17184 HW1 SOL 5204 53.180 11.790 0.710 1.00 0.00 H +ATOM 17185 HW2 SOL 5204 53.260 11.450 2.190 1.00 0.00 H +ATOM 17186 OW SOL 5205 14.460 39.410 18.320 1.00 0.00 O +ATOM 17187 HW1 SOL 5205 14.250 39.390 19.260 1.00 0.00 H +ATOM 17188 HW2 SOL 5205 13.640 39.690 17.900 1.00 0.00 H +ATOM 17189 OW SOL 5206 1.130 4.830 17.690 1.00 0.00 O +ATOM 17190 HW1 SOL 5206 0.420 5.180 17.140 1.00 0.00 H +ATOM 17191 HW2 SOL 5206 1.920 5.040 17.200 1.00 0.00 H +ATOM 17192 OW SOL 5207 45.200 34.810 17.800 1.00 0.00 O +ATOM 17193 HW1 SOL 5207 44.310 34.500 17.610 1.00 0.00 H +ATOM 17194 HW2 SOL 5207 45.070 35.560 18.380 1.00 0.00 H +ATOM 17195 OW SOL 5208 0.710 11.850 17.510 1.00 0.00 O +ATOM 17196 HW1 SOL 5208 0.040 12.230 16.940 1.00 0.00 H +ATOM 17197 HW2 SOL 5208 0.350 11.920 18.390 1.00 0.00 H +ATOM 17198 OW SOL 5209 64.910 59.410 17.550 1.00 0.00 O +ATOM 17199 HW1 SOL 5209 64.280 59.860 18.110 1.00 0.00 H +ATOM 17200 HW2 SOL 5209 64.390 58.760 17.080 1.00 0.00 H +ATOM 17201 OW SOL 5210 29.510 45.370 29.310 1.00 0.00 O +ATOM 17202 HW1 SOL 5210 30.210 44.900 28.860 1.00 0.00 H +ATOM 17203 HW2 SOL 5210 29.940 46.110 29.730 1.00 0.00 H +ATOM 17204 OW SOL 5211 49.410 15.850 46.820 1.00 0.00 O +ATOM 17205 HW1 SOL 5211 49.400 14.900 46.960 1.00 0.00 H +ATOM 17206 HW2 SOL 5211 49.190 15.950 45.890 1.00 0.00 H +ATOM 17207 OW SOL 5212 46.710 38.590 34.050 1.00 0.00 O +ATOM 17208 HW1 SOL 5212 47.500 38.880 34.510 1.00 0.00 H +ATOM 17209 HW2 SOL 5212 46.630 37.660 34.280 1.00 0.00 H +ATOM 17210 OW SOL 5213 12.030 54.960 15.140 1.00 0.00 O +ATOM 17211 HW1 SOL 5213 11.400 54.860 14.430 1.00 0.00 H +ATOM 17212 HW2 SOL 5213 11.540 55.380 15.850 1.00 0.00 H +ATOM 17213 OW SOL 5214 63.350 22.060 48.350 1.00 0.00 O +ATOM 17214 HW1 SOL 5214 62.500 22.480 48.430 1.00 0.00 H +ATOM 17215 HW2 SOL 5214 63.890 22.460 49.030 1.00 0.00 H +ATOM 17216 OW SOL 5215 33.160 17.510 30.220 1.00 0.00 O +ATOM 17217 HW1 SOL 5215 32.960 17.080 31.050 1.00 0.00 H +ATOM 17218 HW2 SOL 5215 34.010 17.150 29.960 1.00 0.00 H +ATOM 17219 OW SOL 5216 35.950 38.210 3.130 1.00 0.00 O +ATOM 17220 HW1 SOL 5216 36.630 38.520 3.720 1.00 0.00 H +ATOM 17221 HW2 SOL 5216 36.350 37.470 2.660 1.00 0.00 H +ATOM 17222 OW SOL 5217 31.270 5.520 12.920 1.00 0.00 O +ATOM 17223 HW1 SOL 5217 30.950 5.370 13.810 1.00 0.00 H +ATOM 17224 HW2 SOL 5217 31.830 6.290 13.000 1.00 0.00 H +ATOM 17225 OW SOL 5218 15.350 12.890 45.640 1.00 0.00 O +ATOM 17226 HW1 SOL 5218 16.270 12.720 45.830 1.00 0.00 H +ATOM 17227 HW2 SOL 5218 14.890 12.650 46.440 1.00 0.00 H +ATOM 17228 OW SOL 5219 52.540 20.970 15.730 1.00 0.00 O +ATOM 17229 HW1 SOL 5219 52.030 21.220 14.960 1.00 0.00 H +ATOM 17230 HW2 SOL 5219 51.940 20.430 16.240 1.00 0.00 H +ATOM 17231 OW SOL 5220 11.350 58.480 1.090 1.00 0.00 O +ATOM 17232 HW1 SOL 5220 11.870 59.260 1.280 1.00 0.00 H +ATOM 17233 HW2 SOL 5220 11.710 57.810 1.670 1.00 0.00 H +ATOM 17234 OW SOL 5221 20.580 1.460 18.710 1.00 0.00 O +ATOM 17235 HW1 SOL 5221 19.940 2.140 18.920 1.00 0.00 H +ATOM 17236 HW2 SOL 5221 20.510 1.340 17.760 1.00 0.00 H +ATOM 17237 OW SOL 5222 32.710 19.090 45.990 1.00 0.00 O +ATOM 17238 HW1 SOL 5222 32.140 19.620 46.560 1.00 0.00 H +ATOM 17239 HW2 SOL 5222 33.460 19.660 45.820 1.00 0.00 H +ATOM 17240 OW SOL 5223 11.180 12.040 40.420 1.00 0.00 O +ATOM 17241 HW1 SOL 5223 10.650 11.250 40.460 1.00 0.00 H +ATOM 17242 HW2 SOL 5223 11.800 11.880 39.700 1.00 0.00 H +ATOM 17243 OW SOL 5224 15.590 29.460 30.730 1.00 0.00 O +ATOM 17244 HW1 SOL 5224 16.410 29.940 30.850 1.00 0.00 H +ATOM 17245 HW2 SOL 5224 15.260 29.340 31.620 1.00 0.00 H +ATOM 17246 OW SOL 5225 57.860 12.460 11.750 1.00 0.00 O +ATOM 17247 HW1 SOL 5225 58.540 12.810 11.170 1.00 0.00 H +ATOM 17248 HW2 SOL 5225 58.340 12.140 12.510 1.00 0.00 H +ATOM 17249 OW SOL 5226 35.150 18.520 10.010 1.00 0.00 O +ATOM 17250 HW1 SOL 5226 35.660 17.740 10.220 1.00 0.00 H +ATOM 17251 HW2 SOL 5226 35.100 18.530 9.060 1.00 0.00 H +ATOM 17252 OW SOL 5227 36.940 37.800 6.830 1.00 0.00 O +ATOM 17253 HW1 SOL 5227 37.090 38.070 5.930 1.00 0.00 H +ATOM 17254 HW2 SOL 5227 36.030 38.040 7.000 1.00 0.00 H +ATOM 17255 OW SOL 5228 63.250 1.830 36.630 1.00 0.00 O +ATOM 17256 HW1 SOL 5228 63.320 2.200 35.760 1.00 0.00 H +ATOM 17257 HW2 SOL 5228 64.090 1.390 36.780 1.00 0.00 H +ATOM 17258 OW SOL 5229 20.510 40.810 43.630 1.00 0.00 O +ATOM 17259 HW1 SOL 5229 21.360 40.740 43.200 1.00 0.00 H +ATOM 17260 HW2 SOL 5229 20.080 39.970 43.480 1.00 0.00 H +ATOM 17261 OW SOL 5230 6.460 54.000 10.680 1.00 0.00 O +ATOM 17262 HW1 SOL 5230 6.360 54.730 10.070 1.00 0.00 H +ATOM 17263 HW2 SOL 5230 5.940 54.250 11.440 1.00 0.00 H +ATOM 17264 OW SOL 5231 3.930 43.930 13.000 1.00 0.00 O +ATOM 17265 HW1 SOL 5231 3.870 43.500 13.860 1.00 0.00 H +ATOM 17266 HW2 SOL 5231 3.670 43.250 12.380 1.00 0.00 H +ATOM 17267 OW SOL 5232 37.120 28.090 8.260 1.00 0.00 O +ATOM 17268 HW1 SOL 5232 36.590 28.880 8.260 1.00 0.00 H +ATOM 17269 HW2 SOL 5232 37.900 28.320 7.750 1.00 0.00 H +ATOM 17270 OW SOL 5233 31.880 43.880 27.820 1.00 0.00 O +ATOM 17271 HW1 SOL 5233 31.380 43.900 27.000 1.00 0.00 H +ATOM 17272 HW2 SOL 5233 32.330 43.040 27.810 1.00 0.00 H +ATOM 17273 OW SOL 5234 16.930 4.700 14.870 1.00 0.00 O +ATOM 17274 HW1 SOL 5234 16.920 4.160 15.660 1.00 0.00 H +ATOM 17275 HW2 SOL 5234 17.790 5.110 14.870 1.00 0.00 H +ATOM 17276 OW SOL 5235 5.290 55.810 36.780 1.00 0.00 O +ATOM 17277 HW1 SOL 5235 5.000 56.690 36.580 1.00 0.00 H +ATOM 17278 HW2 SOL 5235 4.550 55.400 37.220 1.00 0.00 H +ATOM 17279 OW SOL 5236 2.516 51.333 53.435 1.00 0.00 O +ATOM 17280 HW1 SOL 5236 2.426 52.173 53.875 1.00 0.00 H +ATOM 17281 HW2 SOL 5236 3.386 51.023 53.685 1.00 0.00 H +ATOM 17282 OW SOL 5237 7.530 37.520 19.880 1.00 0.00 O +ATOM 17283 HW1 SOL 5237 6.630 37.240 20.030 1.00 0.00 H +ATOM 17284 HW2 SOL 5237 7.530 38.460 20.090 1.00 0.00 H +ATOM 17285 OW SOL 5238 29.380 20.820 28.200 1.00 0.00 O +ATOM 17286 HW1 SOL 5238 30.220 20.370 28.150 1.00 0.00 H +ATOM 17287 HW2 SOL 5238 28.970 20.650 27.350 1.00 0.00 H +ATOM 17288 OW SOL 5239 58.640 29.200 31.710 1.00 0.00 O +ATOM 17289 HW1 SOL 5239 57.700 29.230 31.880 1.00 0.00 H +ATOM 17290 HW2 SOL 5239 58.740 28.520 31.050 1.00 0.00 H +ATOM 17291 OW SOL 5240 0.630 55.140 2.970 1.00 0.00 O +ATOM 17292 HW1 SOL 5240 0.760 54.320 3.440 1.00 0.00 H +ATOM 17293 HW2 SOL 5240 -0.270 55.390 3.160 1.00 0.00 H +ATOM 17294 OW SOL 5241 36.350 12.710 18.510 1.00 0.00 O +ATOM 17295 HW1 SOL 5241 36.940 12.690 19.270 1.00 0.00 H +ATOM 17296 HW2 SOL 5241 36.220 13.640 18.330 1.00 0.00 H +ATOM 17297 OW SOL 5242 2.520 36.450 10.860 1.00 0.00 O +ATOM 17298 HW1 SOL 5242 2.860 37.220 10.400 1.00 0.00 H +ATOM 17299 HW2 SOL 5242 1.790 36.160 10.320 1.00 0.00 H +ATOM 17300 OW SOL 5243 17.170 31.490 20.710 1.00 0.00 O +ATOM 17301 HW1 SOL 5243 17.520 31.910 19.920 1.00 0.00 H +ATOM 17302 HW2 SOL 5243 16.830 30.650 20.410 1.00 0.00 H +ATOM 17303 OW SOL 5244 6.440 21.820 32.630 1.00 0.00 O +ATOM 17304 HW1 SOL 5244 6.090 21.520 31.790 1.00 0.00 H +ATOM 17305 HW2 SOL 5244 6.960 22.590 32.410 1.00 0.00 H +ATOM 17306 OW SOL 5245 5.480 19.170 8.850 1.00 0.00 O +ATOM 17307 HW1 SOL 5245 5.790 19.940 8.380 1.00 0.00 H +ATOM 17308 HW2 SOL 5245 6.280 18.670 9.040 1.00 0.00 H +ATOM 17309 OW SOL 5246 18.590 22.260 3.820 1.00 0.00 O +ATOM 17310 HW1 SOL 5246 19.110 22.940 4.250 1.00 0.00 H +ATOM 17311 HW2 SOL 5246 19.120 22.010 3.060 1.00 0.00 H +ATOM 17312 OW SOL 5247 46.440 34.330 11.100 1.00 0.00 O +ATOM 17313 HW1 SOL 5247 45.510 34.240 11.290 1.00 0.00 H +ATOM 17314 HW2 SOL 5247 46.710 33.450 10.830 1.00 0.00 H +ATOM 17315 OW SOL 5248 64.060 10.350 49.440 1.00 0.00 O +ATOM 17316 HW1 SOL 5248 64.750 10.920 49.110 1.00 0.00 H +ATOM 17317 HW2 SOL 5248 63.660 10.840 50.160 1.00 0.00 H +ATOM 17318 OW SOL 5249 14.150 1.200 39.750 1.00 0.00 O +ATOM 17319 HW1 SOL 5249 14.530 1.700 39.030 1.00 0.00 H +ATOM 17320 HW2 SOL 5249 14.870 0.640 40.060 1.00 0.00 H +ATOM 17321 OW SOL 5250 16.530 39.610 21.360 1.00 0.00 O +ATOM 17322 HW1 SOL 5250 16.630 40.080 20.530 1.00 0.00 H +ATOM 17323 HW2 SOL 5250 17.400 39.260 21.540 1.00 0.00 H +ATOM 17324 OW SOL 5251 43.980 5.430 22.380 1.00 0.00 O +ATOM 17325 HW1 SOL 5251 43.670 6.330 22.320 1.00 0.00 H +ATOM 17326 HW2 SOL 5251 43.690 5.020 21.560 1.00 0.00 H +ATOM 17327 OW SOL 5252 46.680 12.030 23.470 1.00 0.00 O +ATOM 17328 HW1 SOL 5252 46.200 11.360 23.960 1.00 0.00 H +ATOM 17329 HW2 SOL 5252 47.600 11.780 23.570 1.00 0.00 H +ATOM 17330 OW SOL 5253 22.950 13.760 4.200 1.00 0.00 O +ATOM 17331 HW1 SOL 5253 22.000 13.650 4.230 1.00 0.00 H +ATOM 17332 HW2 SOL 5253 23.080 14.690 4.380 1.00 0.00 H +ATOM 17333 OW SOL 5254 60.270 61.130 7.650 1.00 0.00 O +ATOM 17334 HW1 SOL 5254 60.350 60.200 7.890 1.00 0.00 H +ATOM 17335 HW2 SOL 5254 59.950 61.110 6.740 1.00 0.00 H +ATOM 17336 OW SOL 5255 38.700 60.120 28.840 1.00 0.00 O +ATOM 17337 HW1 SOL 5255 37.850 60.390 29.190 1.00 0.00 H +ATOM 17338 HW2 SOL 5255 38.500 59.380 28.260 1.00 0.00 H +ATOM 17339 OW SOL 5256 37.520 55.580 17.570 1.00 0.00 O +ATOM 17340 HW1 SOL 5256 37.560 56.540 17.600 1.00 0.00 H +ATOM 17341 HW2 SOL 5256 37.920 55.300 18.400 1.00 0.00 H +ATOM 17342 OW SOL 5257 33.460 16.460 1.290 1.00 0.00 O +ATOM 17343 HW1 SOL 5257 34.290 16.710 1.690 1.00 0.00 H +ATOM 17344 HW2 SOL 5257 33.290 17.150 0.630 1.00 0.00 H +ATOM 17345 OW SOL 5258 4.390 36.400 31.380 1.00 0.00 O +ATOM 17346 HW1 SOL 5258 4.740 36.540 30.500 1.00 0.00 H +ATOM 17347 HW2 SOL 5258 4.040 37.250 31.640 1.00 0.00 H +ATOM 17348 OW SOL 5259 51.050 7.690 19.980 1.00 0.00 O +ATOM 17349 HW1 SOL 5259 50.870 8.280 19.250 1.00 0.00 H +ATOM 17350 HW2 SOL 5259 50.500 8.020 20.690 1.00 0.00 H +ATOM 17351 OW SOL 5260 35.210 4.110 0.100 1.00 0.00 O +ATOM 17352 HW1 SOL 5260 35.570 4.920 -0.250 1.00 0.00 H +ATOM 17353 HW2 SOL 5260 34.920 4.330 0.990 1.00 0.00 H +ATOM 17354 OW SOL 5261 16.110 6.590 53.410 1.00 0.00 O +ATOM 17355 HW1 SOL 5261 15.190 6.410 53.590 1.00 0.00 H +ATOM 17356 HW2 SOL 5261 16.160 6.680 52.460 1.00 0.00 H +ATOM 17357 OW SOL 5262 0.035 55.100 26.830 1.00 0.00 O +ATOM 17358 HW1 SOL 5262 -0.585 54.440 27.150 1.00 0.00 H +ATOM 17359 HW2 SOL 5262 0.455 55.440 27.620 1.00 0.00 H +ATOM 17360 OW SOL 5263 44.230 29.280 4.790 1.00 0.00 O +ATOM 17361 HW1 SOL 5263 43.640 28.740 4.270 1.00 0.00 H +ATOM 17362 HW2 SOL 5263 45.080 29.230 4.340 1.00 0.00 H +ATOM 17363 OW SOL 5264 15.350 10.300 10.320 1.00 0.00 O +ATOM 17364 HW1 SOL 5264 14.620 10.540 10.900 1.00 0.00 H +ATOM 17365 HW2 SOL 5264 15.790 11.130 10.140 1.00 0.00 H +ATOM 17366 OW SOL 5265 35.010 24.360 46.790 1.00 0.00 O +ATOM 17367 HW1 SOL 5265 35.830 24.320 46.290 1.00 0.00 H +ATOM 17368 HW2 SOL 5265 34.940 23.490 47.190 1.00 0.00 H +ATOM 17369 OW SOL 5266 49.230 8.980 29.340 1.00 0.00 O +ATOM 17370 HW1 SOL 5266 49.710 9.750 29.620 1.00 0.00 H +ATOM 17371 HW2 SOL 5266 48.600 8.820 30.030 1.00 0.00 H +ATOM 17372 OW SOL 5267 40.110 0.030 33.150 1.00 0.00 O +ATOM 17373 HW1 SOL 5267 39.900 0.840 32.690 1.00 0.00 H +ATOM 17374 HW2 SOL 5267 40.370 -0.580 32.460 1.00 0.00 H +ATOM 17375 OW SOL 5268 4.460 1.500 48.340 1.00 0.00 O +ATOM 17376 HW1 SOL 5268 3.890 1.790 49.050 1.00 0.00 H +ATOM 17377 HW2 SOL 5268 4.450 0.540 48.410 1.00 0.00 H +ATOM 17378 OW SOL 5269 58.350 22.470 41.900 1.00 0.00 O +ATOM 17379 HW1 SOL 5269 58.280 23.300 41.430 1.00 0.00 H +ATOM 17380 HW2 SOL 5269 59.150 22.540 42.420 1.00 0.00 H +ATOM 17381 OW SOL 5270 40.300 51.440 35.240 1.00 0.00 O +ATOM 17382 HW1 SOL 5270 40.100 50.520 35.110 1.00 0.00 H +ATOM 17383 HW2 SOL 5270 40.910 51.450 35.980 1.00 0.00 H +ATOM 17384 OW SOL 5271 6.890 20.730 7.120 1.00 0.00 O +ATOM 17385 HW1 SOL 5271 7.740 21.080 6.850 1.00 0.00 H +ATOM 17386 HW2 SOL 5271 6.560 20.260 6.350 1.00 0.00 H +ATOM 17387 OW SOL 5272 26.820 47.420 47.260 1.00 0.00 O +ATOM 17388 HW1 SOL 5272 26.520 48.050 47.910 1.00 0.00 H +ATOM 17389 HW2 SOL 5272 27.410 46.840 47.730 1.00 0.00 H +ATOM 17390 OW SOL 5273 26.360 12.280 5.360 1.00 0.00 O +ATOM 17391 HW1 SOL 5273 25.450 12.020 5.500 1.00 0.00 H +ATOM 17392 HW2 SOL 5273 26.360 13.230 5.500 1.00 0.00 H +ATOM 17393 OW SOL 5274 65.260 53.150 34.600 1.00 0.00 O +ATOM 17394 HW1 SOL 5274 64.350 52.930 34.440 1.00 0.00 H +ATOM 17395 HW2 SOL 5274 65.600 52.410 35.110 1.00 0.00 H +ATOM 17396 OW SOL 5275 0.620 51.260 19.310 1.00 0.00 O +ATOM 17397 HW1 SOL 5275 -0.140 51.180 18.730 1.00 0.00 H +ATOM 17398 HW2 SOL 5275 0.690 52.190 19.490 1.00 0.00 H +ATOM 17399 OW SOL 5276 60.520 55.670 44.240 1.00 0.00 O +ATOM 17400 HW1 SOL 5276 61.350 55.790 43.780 1.00 0.00 H +ATOM 17401 HW2 SOL 5276 60.770 55.630 45.160 1.00 0.00 H +ATOM 17402 OW SOL 5277 54.220 23.200 19.540 1.00 0.00 O +ATOM 17403 HW1 SOL 5277 55.060 23.320 19.980 1.00 0.00 H +ATOM 17404 HW2 SOL 5277 54.400 22.580 18.840 1.00 0.00 H +ATOM 17405 OW SOL 5278 49.790 26.840 49.640 1.00 0.00 O +ATOM 17406 HW1 SOL 5278 48.900 27.210 49.700 1.00 0.00 H +ATOM 17407 HW2 SOL 5278 49.670 25.990 49.230 1.00 0.00 H +ATOM 17408 OW SOL 5279 52.990 38.720 51.640 1.00 0.00 O +ATOM 17409 HW1 SOL 5279 52.880 38.180 52.420 1.00 0.00 H +ATOM 17410 HW2 SOL 5279 53.340 39.550 51.970 1.00 0.00 H +ATOM 17411 OW SOL 5280 40.650 25.980 34.970 1.00 0.00 O +ATOM 17412 HW1 SOL 5280 41.540 25.650 35.000 1.00 0.00 H +ATOM 17413 HW2 SOL 5280 40.120 25.230 34.700 1.00 0.00 H +ATOM 17414 OW SOL 5281 38.390 11.110 13.750 1.00 0.00 O +ATOM 17415 HW1 SOL 5281 38.370 11.900 14.300 1.00 0.00 H +ATOM 17416 HW2 SOL 5281 39.310 10.850 13.750 1.00 0.00 H +ATOM 17417 OW SOL 5282 21.690 4.350 34.500 1.00 0.00 O +ATOM 17418 HW1 SOL 5282 22.620 4.180 34.340 1.00 0.00 H +ATOM 17419 HW2 SOL 5282 21.310 4.460 33.630 1.00 0.00 H +ATOM 17420 OW SOL 5283 19.020 15.410 52.150 1.00 0.00 O +ATOM 17421 HW1 SOL 5283 18.380 14.740 51.920 1.00 0.00 H +ATOM 17422 HW2 SOL 5283 19.070 15.970 51.370 1.00 0.00 H +ATOM 17423 OW SOL 5284 40.390 18.300 11.800 1.00 0.00 O +ATOM 17424 HW1 SOL 5284 40.010 18.840 12.490 1.00 0.00 H +ATOM 17425 HW2 SOL 5284 39.830 18.460 11.040 1.00 0.00 H +ATOM 17426 OW SOL 5285 37.420 34.630 52.750 1.00 0.00 O +ATOM 17427 HW1 SOL 5285 37.510 34.840 53.670 1.00 0.00 H +ATOM 17428 HW2 SOL 5285 37.280 35.470 52.320 1.00 0.00 H +ATOM 17429 OW SOL 5286 19.150 8.290 49.190 1.00 0.00 O +ATOM 17430 HW1 SOL 5286 19.200 9.080 49.730 1.00 0.00 H +ATOM 17431 HW2 SOL 5286 19.060 8.610 48.300 1.00 0.00 H +ATOM 17432 OW SOL 5287 52.320 39.010 41.170 1.00 0.00 O +ATOM 17433 HW1 SOL 5287 52.680 39.820 41.530 1.00 0.00 H +ATOM 17434 HW2 SOL 5287 52.320 38.390 41.900 1.00 0.00 H +ATOM 17435 OW SOL 5288 14.630 6.080 4.360 1.00 0.00 O +ATOM 17436 HW1 SOL 5288 15.080 6.920 4.270 1.00 0.00 H +ATOM 17437 HW2 SOL 5288 13.840 6.290 4.860 1.00 0.00 H +ATOM 17438 OW SOL 5289 8.690 33.560 17.300 1.00 0.00 O +ATOM 17439 HW1 SOL 5289 8.660 33.580 16.350 1.00 0.00 H +ATOM 17440 HW2 SOL 5289 9.400 34.150 17.530 1.00 0.00 H +ATOM 17441 OW SOL 5290 6.240 49.400 30.060 1.00 0.00 O +ATOM 17442 HW1 SOL 5290 5.790 49.700 30.850 1.00 0.00 H +ATOM 17443 HW2 SOL 5290 7.170 49.550 30.230 1.00 0.00 H +ATOM 17444 OW SOL 5291 5.840 27.720 30.650 1.00 0.00 O +ATOM 17445 HW1 SOL 5291 5.730 26.890 31.120 1.00 0.00 H +ATOM 17446 HW2 SOL 5291 6.240 27.470 29.810 1.00 0.00 H +ATOM 17447 OW SOL 5292 55.460 49.790 40.610 1.00 0.00 O +ATOM 17448 HW1 SOL 5292 55.440 50.750 40.600 1.00 0.00 H +ATOM 17449 HW2 SOL 5292 55.480 49.560 41.540 1.00 0.00 H +ATOM 17450 OW SOL 5293 16.810 35.500 52.640 1.00 0.00 O +ATOM 17451 HW1 SOL 5293 16.070 36.090 52.780 1.00 0.00 H +ATOM 17452 HW2 SOL 5293 16.460 34.630 52.870 1.00 0.00 H +ATOM 17453 OW SOL 5294 41.550 25.350 16.330 1.00 0.00 O +ATOM 17454 HW1 SOL 5294 41.010 26.100 16.580 1.00 0.00 H +ATOM 17455 HW2 SOL 5294 41.210 24.620 16.860 1.00 0.00 H +ATOM 17456 OW SOL 5295 35.020 14.930 17.670 1.00 0.00 O +ATOM 17457 HW1 SOL 5295 34.470 14.520 17.000 1.00 0.00 H +ATOM 17458 HW2 SOL 5295 35.360 15.720 17.240 1.00 0.00 H +ATOM 17459 OW SOL 5296 25.290 43.270 45.540 1.00 0.00 O +ATOM 17460 HW1 SOL 5296 25.030 42.380 45.300 1.00 0.00 H +ATOM 17461 HW2 SOL 5296 24.510 43.660 45.930 1.00 0.00 H +ATOM 17462 OW SOL 5297 23.030 16.330 12.480 1.00 0.00 O +ATOM 17463 HW1 SOL 5297 23.820 16.860 12.320 1.00 0.00 H +ATOM 17464 HW2 SOL 5297 23.000 15.720 11.740 1.00 0.00 H +ATOM 17465 OW SOL 5298 50.440 9.220 6.940 1.00 0.00 O +ATOM 17466 HW1 SOL 5298 50.430 10.110 7.300 1.00 0.00 H +ATOM 17467 HW2 SOL 5298 49.760 8.760 7.420 1.00 0.00 H +ATOM 17468 OW SOL 5299 18.050 42.690 37.780 1.00 0.00 O +ATOM 17469 HW1 SOL 5299 17.700 42.110 37.100 1.00 0.00 H +ATOM 17470 HW2 SOL 5299 18.920 42.930 37.460 1.00 0.00 H +ATOM 17471 OW SOL 5300 28.500 26.360 45.100 1.00 0.00 O +ATOM 17472 HW1 SOL 5300 29.440 26.180 45.140 1.00 0.00 H +ATOM 17473 HW2 SOL 5300 28.440 27.310 45.210 1.00 0.00 H +ATOM 17474 OW SOL 5301 35.730 61.520 47.490 1.00 0.00 O +ATOM 17475 HW1 SOL 5301 34.880 61.710 47.100 1.00 0.00 H +ATOM 17476 HW2 SOL 5301 35.940 60.630 47.210 1.00 0.00 H +ATOM 17477 OW SOL 5302 9.670 5.420 5.450 1.00 0.00 O +ATOM 17478 HW1 SOL 5302 9.670 5.200 6.390 1.00 0.00 H +ATOM 17479 HW2 SOL 5302 8.820 5.820 5.300 1.00 0.00 H +ATOM 17480 OW SOL 5303 64.980 20.280 6.910 1.00 0.00 O +ATOM 17481 HW1 SOL 5303 64.800 20.890 7.620 1.00 0.00 H +ATOM 17482 HW2 SOL 5303 65.620 19.660 7.260 1.00 0.00 H +ATOM 17483 OW SOL 5304 33.850 48.930 20.070 1.00 0.00 O +ATOM 17484 HW1 SOL 5304 34.730 49.150 19.770 1.00 0.00 H +ATOM 17485 HW2 SOL 5304 33.310 49.660 19.770 1.00 0.00 H +ATOM 17486 OW SOL 5305 48.790 46.710 4.960 1.00 0.00 O +ATOM 17487 HW1 SOL 5305 49.390 46.890 4.240 1.00 0.00 H +ATOM 17488 HW2 SOL 5305 48.100 46.180 4.570 1.00 0.00 H +ATOM 17489 OW SOL 5306 45.940 1.210 21.510 1.00 0.00 O +ATOM 17490 HW1 SOL 5306 46.190 1.710 22.280 1.00 0.00 H +ATOM 17491 HW2 SOL 5306 45.940 0.290 21.800 1.00 0.00 H +ATOM 17492 OW SOL 5307 8.573 7.741 53.515 1.00 0.00 O +ATOM 17493 HW1 SOL 5307 9.493 7.521 53.435 1.00 0.00 H +ATOM 17494 HW2 SOL 5307 8.573 8.581 53.975 1.00 0.00 H +ATOM 17495 OW SOL 5308 9.830 43.180 52.050 1.00 0.00 O +ATOM 17496 HW1 SOL 5308 9.530 43.920 51.530 1.00 0.00 H +ATOM 17497 HW2 SOL 5308 10.530 43.530 52.600 1.00 0.00 H +ATOM 17498 OW SOL 5309 22.340 36.110 4.350 1.00 0.00 O +ATOM 17499 HW1 SOL 5309 21.730 36.100 3.610 1.00 0.00 H +ATOM 17500 HW2 SOL 5309 21.880 36.590 5.040 1.00 0.00 H +ATOM 17501 OW SOL 5310 56.740 31.680 20.320 1.00 0.00 O +ATOM 17502 HW1 SOL 5310 55.910 31.600 19.840 1.00 0.00 H +ATOM 17503 HW2 SOL 5310 57.310 31.020 19.930 1.00 0.00 H +ATOM 17504 OW SOL 5311 39.270 32.800 21.170 1.00 0.00 O +ATOM 17505 HW1 SOL 5311 39.990 33.020 20.570 1.00 0.00 H +ATOM 17506 HW2 SOL 5311 38.850 32.040 20.770 1.00 0.00 H +ATOM 17507 OW SOL 5312 11.580 50.060 9.460 1.00 0.00 O +ATOM 17508 HW1 SOL 5312 12.400 49.950 9.930 1.00 0.00 H +ATOM 17509 HW2 SOL 5312 11.010 49.360 9.790 1.00 0.00 H +ATOM 17510 OW SOL 5313 63.470 58.390 20.230 1.00 0.00 O +ATOM 17511 HW1 SOL 5313 64.130 57.720 20.050 1.00 0.00 H +ATOM 17512 HW2 SOL 5313 62.690 57.900 20.470 1.00 0.00 H +ATOM 17513 OW SOL 5314 0.040 45.670 29.880 1.00 0.00 O +ATOM 17514 HW1 SOL 5314 0.700 45.580 30.570 1.00 0.00 H +ATOM 17515 HW2 SOL 5314 -0.480 46.430 30.140 1.00 0.00 H +ATOM 17516 OW SOL 5315 54.760 52.100 14.240 1.00 0.00 O +ATOM 17517 HW1 SOL 5315 54.640 51.590 13.450 1.00 0.00 H +ATOM 17518 HW2 SOL 5315 54.870 53.000 13.930 1.00 0.00 H +ATOM 17519 OW SOL 5316 60.420 12.960 41.570 1.00 0.00 O +ATOM 17520 HW1 SOL 5316 59.520 12.780 41.320 1.00 0.00 H +ATOM 17521 HW2 SOL 5316 60.800 13.400 40.810 1.00 0.00 H +ATOM 17522 OW SOL 5317 18.990 30.410 24.390 1.00 0.00 O +ATOM 17523 HW1 SOL 5317 18.220 30.750 23.910 1.00 0.00 H +ATOM 17524 HW2 SOL 5317 18.800 29.480 24.510 1.00 0.00 H +ATOM 17525 OW SOL 5318 64.440 48.210 17.330 1.00 0.00 O +ATOM 17526 HW1 SOL 5318 64.540 47.910 16.430 1.00 0.00 H +ATOM 17527 HW2 SOL 5318 64.260 49.150 17.260 1.00 0.00 H +ATOM 17528 OW SOL 5319 19.730 45.630 43.180 1.00 0.00 O +ATOM 17529 HW1 SOL 5319 19.570 46.000 44.050 1.00 0.00 H +ATOM 17530 HW2 SOL 5319 20.360 44.930 43.330 1.00 0.00 H +ATOM 17531 OW SOL 5320 56.870 39.610 18.590 1.00 0.00 O +ATOM 17532 HW1 SOL 5320 55.940 39.730 18.390 1.00 0.00 H +ATOM 17533 HW2 SOL 5320 57.090 38.760 18.220 1.00 0.00 H +ATOM 17534 OW SOL 5321 16.310 55.960 47.260 1.00 0.00 O +ATOM 17535 HW1 SOL 5321 15.440 55.820 46.890 1.00 0.00 H +ATOM 17536 HW2 SOL 5321 16.490 55.170 47.760 1.00 0.00 H +ATOM 17537 OW SOL 5322 48.870 22.270 7.580 1.00 0.00 O +ATOM 17538 HW1 SOL 5322 49.670 21.890 7.230 1.00 0.00 H +ATOM 17539 HW2 SOL 5322 48.560 21.630 8.220 1.00 0.00 H +ATOM 17540 OW SOL 5323 35.890 52.580 20.880 1.00 0.00 O +ATOM 17541 HW1 SOL 5323 35.620 53.320 20.330 1.00 0.00 H +ATOM 17542 HW2 SOL 5323 36.700 52.270 20.470 1.00 0.00 H +ATOM 17543 OW SOL 5324 61.370 43.270 22.620 1.00 0.00 O +ATOM 17544 HW1 SOL 5324 61.650 44.000 22.060 1.00 0.00 H +ATOM 17545 HW2 SOL 5324 60.920 43.690 23.350 1.00 0.00 H +ATOM 17546 OW SOL 5325 11.729 61.592 27.260 1.00 0.00 O +ATOM 17547 HW1 SOL 5325 11.919 62.532 27.200 1.00 0.00 H +ATOM 17548 HW2 SOL 5325 10.769 61.552 27.300 1.00 0.00 H +ATOM 17549 OW SOL 5326 9.990 37.530 40.550 1.00 0.00 O +ATOM 17550 HW1 SOL 5326 9.520 37.400 41.370 1.00 0.00 H +ATOM 17551 HW2 SOL 5326 10.690 38.140 40.770 1.00 0.00 H +ATOM 17552 OW SOL 5327 41.810 57.580 7.340 1.00 0.00 O +ATOM 17553 HW1 SOL 5327 42.510 57.230 6.780 1.00 0.00 H +ATOM 17554 HW2 SOL 5327 41.390 58.250 6.800 1.00 0.00 H +ATOM 17555 OW SOL 5328 1.000 10.990 36.870 1.00 0.00 O +ATOM 17556 HW1 SOL 5328 1.760 11.020 36.280 1.00 0.00 H +ATOM 17557 HW2 SOL 5328 0.470 10.260 36.540 1.00 0.00 H +ATOM 17558 OW SOL 5329 51.570 35.560 6.880 1.00 0.00 O +ATOM 17559 HW1 SOL 5329 52.330 35.400 6.320 1.00 0.00 H +ATOM 17560 HW2 SOL 5329 51.450 36.510 6.850 1.00 0.00 H +ATOM 17561 OW SOL 5330 8.140 12.290 28.210 1.00 0.00 O +ATOM 17562 HW1 SOL 5330 8.370 11.580 28.810 1.00 0.00 H +ATOM 17563 HW2 SOL 5330 8.960 12.480 27.750 1.00 0.00 H +ATOM 17564 OW SOL 5331 47.090 13.260 34.550 1.00 0.00 O +ATOM 17565 HW1 SOL 5331 47.920 13.360 34.090 1.00 0.00 H +ATOM 17566 HW2 SOL 5331 47.160 12.400 34.960 1.00 0.00 H +ATOM 17567 OW SOL 5332 2.980 10.260 22.520 1.00 0.00 O +ATOM 17568 HW1 SOL 5332 3.780 10.200 23.040 1.00 0.00 H +ATOM 17569 HW2 SOL 5332 2.270 10.120 23.150 1.00 0.00 H +ATOM 17570 OW SOL 5333 4.630 37.520 20.760 1.00 0.00 O +ATOM 17571 HW1 SOL 5333 3.990 37.670 20.070 1.00 0.00 H +ATOM 17572 HW2 SOL 5333 4.580 38.290 21.320 1.00 0.00 H +ATOM 17573 OW SOL 5334 31.990 60.730 39.910 1.00 0.00 O +ATOM 17574 HW1 SOL 5334 32.250 59.990 39.360 1.00 0.00 H +ATOM 17575 HW2 SOL 5334 31.050 60.620 40.020 1.00 0.00 H +ATOM 17576 OW SOL 5335 52.590 1.630 33.020 1.00 0.00 O +ATOM 17577 HW1 SOL 5335 52.020 2.390 33.110 1.00 0.00 H +ATOM 17578 HW2 SOL 5335 53.200 1.700 33.760 1.00 0.00 H +ATOM 17579 OW SOL 5336 9.620 10.390 29.750 1.00 0.00 O +ATOM 17580 HW1 SOL 5336 9.830 9.560 29.300 1.00 0.00 H +ATOM 17581 HW2 SOL 5336 8.850 10.190 30.270 1.00 0.00 H +ATOM 17582 OW SOL 5337 64.720 32.030 15.700 1.00 0.00 O +ATOM 17583 HW1 SOL 5337 64.420 32.780 15.180 1.00 0.00 H +ATOM 17584 HW2 SOL 5337 65.640 31.930 15.480 1.00 0.00 H +ATOM 17585 OW SOL 5338 12.060 35.330 43.080 1.00 0.00 O +ATOM 17586 HW1 SOL 5338 11.480 34.680 42.690 1.00 0.00 H +ATOM 17587 HW2 SOL 5338 12.000 35.160 44.020 1.00 0.00 H +ATOM 17588 OW SOL 5339 23.160 12.650 12.060 1.00 0.00 O +ATOM 17589 HW1 SOL 5339 23.380 13.310 12.720 1.00 0.00 H +ATOM 17590 HW2 SOL 5339 23.950 12.580 11.520 1.00 0.00 H +ATOM 17591 OW SOL 5340 59.530 27.410 27.180 1.00 0.00 O +ATOM 17592 HW1 SOL 5340 59.940 26.590 27.450 1.00 0.00 H +ATOM 17593 HW2 SOL 5340 60.270 27.980 26.960 1.00 0.00 H +ATOM 17594 OW SOL 5341 13.140 57.170 46.100 1.00 0.00 O +ATOM 17595 HW1 SOL 5341 12.590 56.400 46.270 1.00 0.00 H +ATOM 17596 HW2 SOL 5341 13.010 57.730 46.870 1.00 0.00 H +ATOM 17597 OW SOL 5342 33.700 17.670 12.100 1.00 0.00 O +ATOM 17598 HW1 SOL 5342 34.000 18.020 11.260 1.00 0.00 H +ATOM 17599 HW2 SOL 5342 33.200 18.390 12.490 1.00 0.00 H +ATOM 17600 OW SOL 5343 61.400 21.580 50.570 1.00 0.00 O +ATOM 17601 HW1 SOL 5343 60.780 22.220 50.910 1.00 0.00 H +ATOM 17602 HW2 SOL 5343 62.130 21.600 51.190 1.00 0.00 H +ATOM 17603 OW SOL 5344 38.500 40.620 37.790 1.00 0.00 O +ATOM 17604 HW1 SOL 5344 39.370 40.500 37.390 1.00 0.00 H +ATOM 17605 HW2 SOL 5344 38.580 40.230 38.660 1.00 0.00 H +ATOM 17606 OW SOL 5345 63.630 49.890 51.360 1.00 0.00 O +ATOM 17607 HW1 SOL 5345 63.640 49.120 50.800 1.00 0.00 H +ATOM 17608 HW2 SOL 5345 64.350 50.430 51.040 1.00 0.00 H +ATOM 17609 OW SOL 5346 16.450 23.640 17.320 1.00 0.00 O +ATOM 17610 HW1 SOL 5346 16.230 24.430 17.820 1.00 0.00 H +ATOM 17611 HW2 SOL 5346 17.210 23.270 17.760 1.00 0.00 H +ATOM 17612 OW SOL 5347 12.610 27.320 47.900 1.00 0.00 O +ATOM 17613 HW1 SOL 5347 13.410 27.830 48.040 1.00 0.00 H +ATOM 17614 HW2 SOL 5347 12.700 26.570 48.480 1.00 0.00 H +ATOM 17615 OW SOL 5348 6.310 9.380 14.460 1.00 0.00 O +ATOM 17616 HW1 SOL 5348 6.210 9.370 13.510 1.00 0.00 H +ATOM 17617 HW2 SOL 5348 7.060 9.940 14.620 1.00 0.00 H +ATOM 17618 OW SOL 5349 22.370 5.060 27.010 1.00 0.00 O +ATOM 17619 HW1 SOL 5349 22.710 5.110 26.120 1.00 0.00 H +ATOM 17620 HW2 SOL 5349 23.150 5.070 27.570 1.00 0.00 H +ATOM 17621 OW SOL 5350 32.240 31.610 19.830 1.00 0.00 O +ATOM 17622 HW1 SOL 5350 31.720 30.930 19.390 1.00 0.00 H +ATOM 17623 HW2 SOL 5350 31.690 32.390 19.780 1.00 0.00 H +ATOM 17624 OW SOL 5351 13.300 33.800 9.300 1.00 0.00 O +ATOM 17625 HW1 SOL 5351 14.210 33.990 9.090 1.00 0.00 H +ATOM 17626 HW2 SOL 5351 13.240 32.840 9.260 1.00 0.00 H +ATOM 17627 OW SOL 5352 31.530 8.290 2.720 1.00 0.00 O +ATOM 17628 HW1 SOL 5352 31.280 9.080 3.210 1.00 0.00 H +ATOM 17629 HW2 SOL 5352 31.020 8.350 1.910 1.00 0.00 H +ATOM 17630 OW SOL 5353 5.430 61.310 42.120 1.00 0.00 O +ATOM 17631 HW1 SOL 5353 4.550 61.270 41.740 1.00 0.00 H +ATOM 17632 HW2 SOL 5353 6.010 61.350 41.350 1.00 0.00 H +ATOM 17633 OW SOL 5354 52.860 43.840 50.710 1.00 0.00 O +ATOM 17634 HW1 SOL 5354 52.090 44.400 50.610 1.00 0.00 H +ATOM 17635 HW2 SOL 5354 53.020 43.500 49.820 1.00 0.00 H +ATOM 17636 OW SOL 5355 63.000 61.420 9.310 1.00 0.00 O +ATOM 17637 HW1 SOL 5355 62.780 62.360 9.280 1.00 0.00 H +ATOM 17638 HW2 SOL 5355 62.480 61.080 10.040 1.00 0.00 H +ATOM 17639 OW SOL 5356 38.610 26.600 11.800 1.00 0.00 O +ATOM 17640 HW1 SOL 5356 37.970 26.420 11.110 1.00 0.00 H +ATOM 17641 HW2 SOL 5356 38.850 25.740 12.140 1.00 0.00 H +ATOM 17642 OW SOL 5357 47.970 29.990 38.980 1.00 0.00 O +ATOM 17643 HW1 SOL 5357 48.540 29.240 39.180 1.00 0.00 H +ATOM 17644 HW2 SOL 5357 47.120 29.750 39.360 1.00 0.00 H +ATOM 17645 OW SOL 5358 24.210 10.390 44.560 1.00 0.00 O +ATOM 17646 HW1 SOL 5358 24.290 9.860 45.350 1.00 0.00 H +ATOM 17647 HW2 SOL 5358 23.800 9.810 43.920 1.00 0.00 H +ATOM 17648 OW SOL 5359 56.970 36.240 24.920 1.00 0.00 O +ATOM 17649 HW1 SOL 5359 56.260 36.850 25.130 1.00 0.00 H +ATOM 17650 HW2 SOL 5359 57.280 36.520 24.060 1.00 0.00 H +ATOM 17651 OW SOL 5360 24.580 43.740 18.670 1.00 0.00 O +ATOM 17652 HW1 SOL 5360 24.220 43.250 19.410 1.00 0.00 H +ATOM 17653 HW2 SOL 5360 24.430 44.660 18.890 1.00 0.00 H +ATOM 17654 OW SOL 5361 1.040 3.920 29.330 1.00 0.00 O +ATOM 17655 HW1 SOL 5361 1.270 3.440 28.540 1.00 0.00 H +ATOM 17656 HW2 SOL 5361 0.320 3.420 29.720 1.00 0.00 H +ATOM 17657 OW SOL 5362 60.340 41.590 20.830 1.00 0.00 O +ATOM 17658 HW1 SOL 5362 61.160 41.400 20.380 1.00 0.00 H +ATOM 17659 HW2 SOL 5362 60.580 42.180 21.540 1.00 0.00 H +ATOM 17660 OW SOL 5363 45.260 15.930 4.460 1.00 0.00 O +ATOM 17661 HW1 SOL 5363 44.670 15.920 3.700 1.00 0.00 H +ATOM 17662 HW2 SOL 5363 46.070 15.540 4.130 1.00 0.00 H +ATOM 17663 OW SOL 5364 22.150 47.980 44.800 1.00 0.00 O +ATOM 17664 HW1 SOL 5364 21.980 48.450 45.620 1.00 0.00 H +ATOM 17665 HW2 SOL 5364 22.140 48.660 44.130 1.00 0.00 H +ATOM 17666 OW SOL 5365 17.120 56.120 42.070 1.00 0.00 O +ATOM 17667 HW1 SOL 5365 16.380 56.190 42.670 1.00 0.00 H +ATOM 17668 HW2 SOL 5365 17.470 55.240 42.240 1.00 0.00 H +ATOM 17669 OW SOL 5366 52.230 13.580 28.390 1.00 0.00 O +ATOM 17670 HW1 SOL 5366 51.450 13.910 28.820 1.00 0.00 H +ATOM 17671 HW2 SOL 5366 51.940 13.320 27.510 1.00 0.00 H +ATOM 17672 OW SOL 5367 56.100 48.110 47.590 1.00 0.00 O +ATOM 17673 HW1 SOL 5367 56.810 48.370 47.000 1.00 0.00 H +ATOM 17674 HW2 SOL 5367 55.460 48.820 47.520 1.00 0.00 H +ATOM 17675 OW SOL 5368 45.040 45.100 7.690 1.00 0.00 O +ATOM 17676 HW1 SOL 5368 44.280 45.160 7.120 1.00 0.00 H +ATOM 17677 HW2 SOL 5368 45.440 45.970 7.650 1.00 0.00 H +ATOM 17678 OW SOL 5369 29.940 31.330 9.310 1.00 0.00 O +ATOM 17679 HW1 SOL 5369 30.760 30.910 9.570 1.00 0.00 H +ATOM 17680 HW2 SOL 5369 30.130 32.270 9.340 1.00 0.00 H +ATOM 17681 OW SOL 5370 33.330 48.780 3.650 1.00 0.00 O +ATOM 17682 HW1 SOL 5370 33.210 48.030 3.060 1.00 0.00 H +ATOM 17683 HW2 SOL 5370 33.870 48.430 4.370 1.00 0.00 H +ATOM 17684 OW SOL 5371 7.600 39.650 24.710 1.00 0.00 O +ATOM 17685 HW1 SOL 5371 7.480 38.720 24.870 1.00 0.00 H +ATOM 17686 HW2 SOL 5371 8.330 39.700 24.090 1.00 0.00 H +ATOM 17687 OW SOL 5372 34.390 20.890 10.960 1.00 0.00 O +ATOM 17688 HW1 SOL 5372 34.630 20.170 10.380 1.00 0.00 H +ATOM 17689 HW2 SOL 5372 33.450 21.000 10.820 1.00 0.00 H +ATOM 17690 OW SOL 5373 13.510 41.760 5.950 1.00 0.00 O +ATOM 17691 HW1 SOL 5373 13.840 40.900 6.200 1.00 0.00 H +ATOM 17692 HW2 SOL 5373 14.290 42.280 5.780 1.00 0.00 H +ATOM 17693 OW SOL 5374 58.790 49.070 32.080 1.00 0.00 O +ATOM 17694 HW1 SOL 5374 58.550 48.150 31.930 1.00 0.00 H +ATOM 17695 HW2 SOL 5374 57.980 49.490 32.370 1.00 0.00 H +ATOM 17696 OW SOL 5375 24.620 25.900 47.150 1.00 0.00 O +ATOM 17697 HW1 SOL 5375 25.250 26.020 46.440 1.00 0.00 H +ATOM 17698 HW2 SOL 5375 23.960 25.310 46.780 1.00 0.00 H +ATOM 17699 OW SOL 5376 30.450 3.050 40.870 1.00 0.00 O +ATOM 17700 HW1 SOL 5376 29.870 2.700 40.190 1.00 0.00 H +ATOM 17701 HW2 SOL 5376 30.700 2.290 41.380 1.00 0.00 H +ATOM 17702 OW SOL 5377 10.460 48.230 14.570 1.00 0.00 O +ATOM 17703 HW1 SOL 5377 9.930 48.750 15.180 1.00 0.00 H +ATOM 17704 HW2 SOL 5377 10.370 48.680 13.730 1.00 0.00 H +ATOM 17705 OW SOL 5378 23.180 29.270 20.520 1.00 0.00 O +ATOM 17706 HW1 SOL 5378 23.160 28.370 20.840 1.00 0.00 H +ATOM 17707 HW2 SOL 5378 22.850 29.790 21.250 1.00 0.00 H +ATOM 17708 OW SOL 5379 36.040 1.050 12.080 1.00 0.00 O +ATOM 17709 HW1 SOL 5379 36.450 1.920 12.120 1.00 0.00 H +ATOM 17710 HW2 SOL 5379 35.190 1.210 11.660 1.00 0.00 H +ATOM 17711 OW SOL 5380 3.600 41.700 50.800 1.00 0.00 O +ATOM 17712 HW1 SOL 5380 3.360 42.620 50.910 1.00 0.00 H +ATOM 17713 HW2 SOL 5380 4.460 41.630 51.230 1.00 0.00 H +ATOM 17714 OW SOL 5381 34.200 15.260 24.340 1.00 0.00 O +ATOM 17715 HW1 SOL 5381 33.280 15.480 24.180 1.00 0.00 H +ATOM 17716 HW2 SOL 5381 34.200 14.850 25.210 1.00 0.00 H +ATOM 17717 OW SOL 5382 53.150 33.610 37.850 1.00 0.00 O +ATOM 17718 HW1 SOL 5382 52.550 34.310 37.600 1.00 0.00 H +ATOM 17719 HW2 SOL 5382 53.160 33.630 38.810 1.00 0.00 H +ATOM 17720 OW SOL 5383 56.450 61.290 24.580 1.00 0.00 O +ATOM 17721 HW1 SOL 5383 56.000 62.130 24.490 1.00 0.00 H +ATOM 17722 HW2 SOL 5383 55.980 60.710 23.980 1.00 0.00 H +ATOM 17723 OW SOL 5384 30.700 12.100 48.680 1.00 0.00 O +ATOM 17724 HW1 SOL 5384 31.230 12.890 48.750 1.00 0.00 H +ATOM 17725 HW2 SOL 5384 30.410 11.930 49.580 1.00 0.00 H +ATOM 17726 OW SOL 5385 55.820 19.400 13.550 1.00 0.00 O +ATOM 17727 HW1 SOL 5385 56.520 18.750 13.470 1.00 0.00 H +ATOM 17728 HW2 SOL 5385 55.470 19.490 12.670 1.00 0.00 H +ATOM 17729 OW SOL 5386 49.430 18.530 51.140 1.00 0.00 O +ATOM 17730 HW1 SOL 5386 49.270 19.220 50.500 1.00 0.00 H +ATOM 17731 HW2 SOL 5386 50.350 18.290 51.010 1.00 0.00 H +ATOM 17732 OW SOL 5387 31.080 42.280 11.630 1.00 0.00 O +ATOM 17733 HW1 SOL 5387 30.250 42.710 11.420 1.00 0.00 H +ATOM 17734 HW2 SOL 5387 30.860 41.350 11.700 1.00 0.00 H +ATOM 17735 OW SOL 5388 42.290 59.220 1.560 1.00 0.00 O +ATOM 17736 HW1 SOL 5388 41.490 58.700 1.470 1.00 0.00 H +ATOM 17737 HW2 SOL 5388 42.920 58.770 0.990 1.00 0.00 H +ATOM 17738 OW SOL 5389 62.560 51.800 39.630 1.00 0.00 O +ATOM 17739 HW1 SOL 5389 62.090 51.320 40.310 1.00 0.00 H +ATOM 17740 HW2 SOL 5389 61.910 51.940 38.940 1.00 0.00 H +ATOM 17741 OW SOL 5390 15.730 25.180 7.130 1.00 0.00 O +ATOM 17742 HW1 SOL 5390 15.260 24.350 7.200 1.00 0.00 H +ATOM 17743 HW2 SOL 5390 15.220 25.790 7.660 1.00 0.00 H +ATOM 17744 OW SOL 5391 10.390 24.160 4.770 1.00 0.00 O +ATOM 17745 HW1 SOL 5391 11.200 24.460 5.180 1.00 0.00 H +ATOM 17746 HW2 SOL 5391 10.650 23.930 3.880 1.00 0.00 H +ATOM 17747 OW SOL 5392 31.080 0.710 25.630 1.00 0.00 O +ATOM 17748 HW1 SOL 5392 31.790 0.460 26.210 1.00 0.00 H +ATOM 17749 HW2 SOL 5392 30.640 -0.120 25.410 1.00 0.00 H +ATOM 17750 OW SOL 5393 39.534 61.552 45.150 1.00 0.00 O +ATOM 17751 HW1 SOL 5393 39.144 62.242 45.690 1.00 0.00 H +ATOM 17752 HW2 SOL 5393 40.254 61.982 44.690 1.00 0.00 H +ATOM 17753 OW SOL 5394 55.080 33.660 23.490 1.00 0.00 O +ATOM 17754 HW1 SOL 5394 55.270 34.000 22.620 1.00 0.00 H +ATOM 17755 HW2 SOL 5394 55.180 34.420 24.070 1.00 0.00 H +ATOM 17756 OW SOL 5395 41.420 59.420 52.550 1.00 0.00 O +ATOM 17757 HW1 SOL 5395 41.030 59.450 53.430 1.00 0.00 H +ATOM 17758 HW2 SOL 5395 40.690 59.220 51.970 1.00 0.00 H +ATOM 17759 OW SOL 5396 65.310 9.920 28.220 1.00 0.00 O +ATOM 17760 HW1 SOL 5396 65.650 10.110 27.340 1.00 0.00 H +ATOM 17761 HW2 SOL 5396 64.390 10.170 28.180 1.00 0.00 H +ATOM 17762 OW SOL 5397 14.670 27.090 8.760 1.00 0.00 O +ATOM 17763 HW1 SOL 5397 14.390 27.680 8.060 1.00 0.00 H +ATOM 17764 HW2 SOL 5397 13.970 27.120 9.410 1.00 0.00 H +ATOM 17765 OW SOL 5398 37.500 58.570 18.000 1.00 0.00 O +ATOM 17766 HW1 SOL 5398 37.640 58.900 18.890 1.00 0.00 H +ATOM 17767 HW2 SOL 5398 38.380 58.530 17.620 1.00 0.00 H +ATOM 17768 OW SOL 5399 39.660 57.330 31.890 1.00 0.00 O +ATOM 17769 HW1 SOL 5399 39.410 57.230 30.970 1.00 0.00 H +ATOM 17770 HW2 SOL 5399 39.770 58.270 32.000 1.00 0.00 H +ATOM 17771 OW SOL 5400 5.970 25.650 25.360 1.00 0.00 O +ATOM 17772 HW1 SOL 5400 6.910 25.780 25.190 1.00 0.00 H +ATOM 17773 HW2 SOL 5400 5.550 25.870 24.530 1.00 0.00 H +ATOM 17774 OW SOL 5401 22.950 44.870 1.940 1.00 0.00 O +ATOM 17775 HW1 SOL 5401 22.830 45.180 2.840 1.00 0.00 H +ATOM 17776 HW2 SOL 5401 23.180 45.660 1.450 1.00 0.00 H +ATOM 17777 OW SOL 5402 17.870 14.270 37.520 1.00 0.00 O +ATOM 17778 HW1 SOL 5402 17.910 13.480 36.970 1.00 0.00 H +ATOM 17779 HW2 SOL 5402 18.670 14.240 38.040 1.00 0.00 H +ATOM 17780 OW SOL 5403 58.340 39.060 8.660 1.00 0.00 O +ATOM 17781 HW1 SOL 5403 57.850 38.340 8.250 1.00 0.00 H +ATOM 17782 HW2 SOL 5403 57.840 39.850 8.430 1.00 0.00 H +ATOM 17783 OW SOL 5404 31.580 61.430 49.480 1.00 0.00 O +ATOM 17784 HW1 SOL 5404 30.680 61.270 49.170 1.00 0.00 H +ATOM 17785 HW2 SOL 5404 32.100 60.770 49.010 1.00 0.00 H +ATOM 17786 OW SOL 5405 48.530 37.090 42.680 1.00 0.00 O +ATOM 17787 HW1 SOL 5405 47.950 36.330 42.760 1.00 0.00 H +ATOM 17788 HW2 SOL 5405 47.950 37.800 42.410 1.00 0.00 H +ATOM 17789 OW SOL 5406 3.360 28.790 44.940 1.00 0.00 O +ATOM 17790 HW1 SOL 5406 2.760 28.280 45.470 1.00 0.00 H +ATOM 17791 HW2 SOL 5406 3.750 29.420 45.550 1.00 0.00 H +ATOM 17792 OW SOL 5407 17.970 15.860 42.620 1.00 0.00 O +ATOM 17793 HW1 SOL 5407 18.780 16.300 42.370 1.00 0.00 H +ATOM 17794 HW2 SOL 5407 17.290 16.540 42.560 1.00 0.00 H +ATOM 17795 OW SOL 5408 51.320 0.440 43.800 1.00 0.00 O +ATOM 17796 HW1 SOL 5408 50.930 0.470 44.670 1.00 0.00 H +ATOM 17797 HW2 SOL 5408 50.740 -0.130 43.290 1.00 0.00 H +ATOM 17798 OW SOL 5409 39.360 30.480 51.540 1.00 0.00 O +ATOM 17799 HW1 SOL 5409 40.110 29.880 51.530 1.00 0.00 H +ATOM 17800 HW2 SOL 5409 39.690 31.260 52.000 1.00 0.00 H +ATOM 17801 OW SOL 5410 49.320 41.660 20.380 1.00 0.00 O +ATOM 17802 HW1 SOL 5410 48.600 42.210 20.070 1.00 0.00 H +ATOM 17803 HW2 SOL 5410 49.200 40.820 19.930 1.00 0.00 H +ATOM 17804 OW SOL 5411 11.360 18.990 31.770 1.00 0.00 O +ATOM 17805 HW1 SOL 5411 11.320 18.090 32.100 1.00 0.00 H +ATOM 17806 HW2 SOL 5411 11.470 19.530 32.550 1.00 0.00 H +ATOM 17807 OW SOL 5412 11.740 50.430 17.650 1.00 0.00 O +ATOM 17808 HW1 SOL 5412 12.670 50.660 17.640 1.00 0.00 H +ATOM 17809 HW2 SOL 5412 11.280 51.240 17.410 1.00 0.00 H +ATOM 17810 OW SOL 5413 58.050 50.080 25.950 1.00 0.00 O +ATOM 17811 HW1 SOL 5413 58.320 50.650 25.230 1.00 0.00 H +ATOM 17812 HW2 SOL 5413 58.630 50.330 26.670 1.00 0.00 H +ATOM 17813 OW SOL 5414 2.480 15.350 46.010 1.00 0.00 O +ATOM 17814 HW1 SOL 5414 3.400 15.500 45.800 1.00 0.00 H +ATOM 17815 HW2 SOL 5414 2.250 16.040 46.630 1.00 0.00 H +ATOM 17816 OW SOL 5415 52.110 53.810 2.030 1.00 0.00 O +ATOM 17817 HW1 SOL 5415 52.050 54.570 1.450 1.00 0.00 H +ATOM 17818 HW2 SOL 5415 52.960 53.910 2.460 1.00 0.00 H +ATOM 17819 OW SOL 5416 30.490 60.220 7.300 1.00 0.00 O +ATOM 17820 HW1 SOL 5416 30.570 59.910 8.200 1.00 0.00 H +ATOM 17821 HW2 SOL 5416 29.750 59.740 6.940 1.00 0.00 H +ATOM 17822 OW SOL 5417 64.410 59.080 36.520 1.00 0.00 O +ATOM 17823 HW1 SOL 5417 64.800 59.140 37.390 1.00 0.00 H +ATOM 17824 HW2 SOL 5417 63.470 59.180 36.660 1.00 0.00 H +ATOM 17825 OW SOL 5418 28.810 0.430 41.250 1.00 0.00 O +ATOM 17826 HW1 SOL 5418 29.200 -0.310 40.790 1.00 0.00 H +ATOM 17827 HW2 SOL 5418 29.520 0.800 41.770 1.00 0.00 H +ATOM 17828 OW SOL 5419 2.680 59.360 0.660 1.00 0.00 O +ATOM 17829 HW1 SOL 5419 2.950 58.600 0.140 1.00 0.00 H +ATOM 17830 HW2 SOL 5419 2.270 59.950 0.030 1.00 0.00 H +ATOM 17831 OW SOL 5420 47.360 51.760 39.900 1.00 0.00 O +ATOM 17832 HW1 SOL 5420 47.850 51.840 39.080 1.00 0.00 H +ATOM 17833 HW2 SOL 5420 47.890 52.240 40.540 1.00 0.00 H +ATOM 17834 OW SOL 5421 16.210 30.070 22.830 1.00 0.00 O +ATOM 17835 HW1 SOL 5421 16.530 30.810 22.300 1.00 0.00 H +ATOM 17836 HW2 SOL 5421 15.310 30.300 23.040 1.00 0.00 H +ATOM 17837 OW SOL 5422 56.970 47.530 39.020 1.00 0.00 O +ATOM 17838 HW1 SOL 5422 57.110 47.120 38.170 1.00 0.00 H +ATOM 17839 HW2 SOL 5422 56.070 47.850 38.990 1.00 0.00 H +ATOM 17840 OW SOL 5423 23.810 25.470 25.410 1.00 0.00 O +ATOM 17841 HW1 SOL 5423 23.230 25.640 26.150 1.00 0.00 H +ATOM 17842 HW2 SOL 5423 23.340 24.830 24.880 1.00 0.00 H +ATOM 17843 OW SOL 5424 35.260 16.700 45.470 1.00 0.00 O +ATOM 17844 HW1 SOL 5424 35.960 16.040 45.500 1.00 0.00 H +ATOM 17845 HW2 SOL 5424 34.620 16.350 44.860 1.00 0.00 H +ATOM 17846 OW SOL 5425 14.290 45.760 19.610 1.00 0.00 O +ATOM 17847 HW1 SOL 5425 14.270 45.470 20.530 1.00 0.00 H +ATOM 17848 HW2 SOL 5425 15.220 45.900 19.430 1.00 0.00 H +ATOM 17849 OW SOL 5426 28.000 49.040 0.530 1.00 0.00 O +ATOM 17850 HW1 SOL 5426 27.450 49.220 -0.230 1.00 0.00 H +ATOM 17851 HW2 SOL 5426 27.600 49.540 1.240 1.00 0.00 H +ATOM 17852 OW SOL 5427 11.890 53.720 37.370 1.00 0.00 O +ATOM 17853 HW1 SOL 5427 12.620 53.160 37.100 1.00 0.00 H +ATOM 17854 HW2 SOL 5427 12.310 54.480 37.780 1.00 0.00 H +ATOM 17855 OW SOL 5428 44.680 15.750 48.640 1.00 0.00 O +ATOM 17856 HW1 SOL 5428 45.380 16.180 49.130 1.00 0.00 H +ATOM 17857 HW2 SOL 5428 45.090 15.470 47.820 1.00 0.00 H +ATOM 17858 OW SOL 5429 2.490 22.500 43.560 1.00 0.00 O +ATOM 17859 HW1 SOL 5429 2.920 21.670 43.340 1.00 0.00 H +ATOM 17860 HW2 SOL 5429 1.860 22.640 42.850 1.00 0.00 H +ATOM 17861 OW SOL 5430 50.460 2.270 23.510 1.00 0.00 O +ATOM 17862 HW1 SOL 5430 49.870 2.370 22.760 1.00 0.00 H +ATOM 17863 HW2 SOL 5430 50.680 3.170 23.750 1.00 0.00 H +ATOM 17864 OW SOL 5431 42.080 46.310 22.420 1.00 0.00 O +ATOM 17865 HW1 SOL 5431 42.530 45.520 22.110 1.00 0.00 H +ATOM 17866 HW2 SOL 5431 42.450 46.470 23.290 1.00 0.00 H +ATOM 17867 OW SOL 5432 58.240 28.410 8.560 1.00 0.00 O +ATOM 17868 HW1 SOL 5432 58.480 27.830 7.840 1.00 0.00 H +ATOM 17869 HW2 SOL 5432 58.980 29.000 8.650 1.00 0.00 H +ATOM 17870 OW SOL 5433 42.940 39.580 37.810 1.00 0.00 O +ATOM 17871 HW1 SOL 5433 42.460 40.410 37.840 1.00 0.00 H +ATOM 17872 HW2 SOL 5433 42.450 39.030 37.200 1.00 0.00 H +ATOM 17873 OW SOL 5434 21.150 8.670 17.600 1.00 0.00 O +ATOM 17874 HW1 SOL 5434 21.680 9.190 17.000 1.00 0.00 H +ATOM 17875 HW2 SOL 5434 20.260 8.740 17.260 1.00 0.00 H +ATOM 17876 OW SOL 5435 51.160 32.770 20.740 1.00 0.00 O +ATOM 17877 HW1 SOL 5435 51.670 33.550 20.520 1.00 0.00 H +ATOM 17878 HW2 SOL 5435 51.720 32.040 20.490 1.00 0.00 H +ATOM 17879 OW SOL 5436 5.360 47.860 25.000 1.00 0.00 O +ATOM 17880 HW1 SOL 5436 4.490 47.870 24.610 1.00 0.00 H +ATOM 17881 HW2 SOL 5436 5.240 48.180 25.900 1.00 0.00 H +ATOM 17882 OW SOL 5437 36.550 53.070 40.020 1.00 0.00 O +ATOM 17883 HW1 SOL 5437 37.120 53.650 39.510 1.00 0.00 H +ATOM 17884 HW2 SOL 5437 36.740 52.200 39.680 1.00 0.00 H +ATOM 17885 OW SOL 5438 43.670 61.180 52.270 1.00 0.00 O +ATOM 17886 HW1 SOL 5438 44.180 60.550 51.770 1.00 0.00 H +ATOM 17887 HW2 SOL 5438 42.840 60.740 52.450 1.00 0.00 H +ATOM 17888 OW SOL 5439 13.330 42.730 20.020 1.00 0.00 O +ATOM 17889 HW1 SOL 5439 12.540 43.140 19.690 1.00 0.00 H +ATOM 17890 HW2 SOL 5439 14.010 42.950 19.380 1.00 0.00 H +ATOM 17891 OW SOL 5440 56.830 9.880 11.830 1.00 0.00 O +ATOM 17892 HW1 SOL 5440 56.340 9.760 11.010 1.00 0.00 H +ATOM 17893 HW2 SOL 5440 56.830 10.830 11.970 1.00 0.00 H +ATOM 17894 OW SOL 5441 9.730 4.240 18.310 1.00 0.00 O +ATOM 17895 HW1 SOL 5441 10.470 3.670 18.540 1.00 0.00 H +ATOM 17896 HW2 SOL 5441 10.130 5.090 18.130 1.00 0.00 H +ATOM 17897 OW SOL 5442 13.160 35.920 5.380 1.00 0.00 O +ATOM 17898 HW1 SOL 5442 12.460 36.560 5.260 1.00 0.00 H +ATOM 17899 HW2 SOL 5442 13.730 36.320 6.040 1.00 0.00 H +ATOM 17900 OW SOL 5443 55.760 32.720 41.140 1.00 0.00 O +ATOM 17901 HW1 SOL 5443 54.810 32.710 41.040 1.00 0.00 H +ATOM 17902 HW2 SOL 5443 55.950 32.070 41.810 1.00 0.00 H +ATOM 17903 OW SOL 5444 22.240 60.410 9.860 1.00 0.00 O +ATOM 17904 HW1 SOL 5444 22.880 60.980 10.270 1.00 0.00 H +ATOM 17905 HW2 SOL 5444 22.520 59.520 10.080 1.00 0.00 H +ATOM 17906 OW SOL 5445 61.430 33.110 2.340 1.00 0.00 O +ATOM 17907 HW1 SOL 5445 61.480 34.050 2.170 1.00 0.00 H +ATOM 17908 HW2 SOL 5445 60.490 32.940 2.440 1.00 0.00 H +ATOM 17909 OW SOL 5446 43.680 10.430 50.930 1.00 0.00 O +ATOM 17910 HW1 SOL 5446 44.330 10.160 51.590 1.00 0.00 H +ATOM 17911 HW2 SOL 5446 43.180 11.130 51.360 1.00 0.00 H +ATOM 17912 OW SOL 5447 42.120 60.490 16.700 1.00 0.00 O +ATOM 17913 HW1 SOL 5447 42.060 61.330 16.250 1.00 0.00 H +ATOM 17914 HW2 SOL 5447 42.840 60.030 16.280 1.00 0.00 H +ATOM 17915 OW SOL 5448 6.610 20.600 20.140 1.00 0.00 O +ATOM 17916 HW1 SOL 5448 6.460 20.600 19.190 1.00 0.00 H +ATOM 17917 HW2 SOL 5448 6.200 19.790 20.440 1.00 0.00 H +ATOM 17918 OW SOL 5449 18.150 50.680 29.420 1.00 0.00 O +ATOM 17919 HW1 SOL 5449 18.150 51.620 29.600 1.00 0.00 H +ATOM 17920 HW2 SOL 5449 19.060 50.480 29.210 1.00 0.00 H +ATOM 17921 OW SOL 5450 40.770 30.780 35.870 1.00 0.00 O +ATOM 17922 HW1 SOL 5450 40.700 30.150 35.160 1.00 0.00 H +ATOM 17923 HW2 SOL 5450 41.600 31.220 35.720 1.00 0.00 H +ATOM 17924 OW SOL 5451 37.250 52.270 46.920 1.00 0.00 O +ATOM 17925 HW1 SOL 5451 37.060 52.170 45.990 1.00 0.00 H +ATOM 17926 HW2 SOL 5451 37.310 51.380 47.260 1.00 0.00 H +ATOM 17927 OW SOL 5452 61.850 11.000 3.070 1.00 0.00 O +ATOM 17928 HW1 SOL 5452 62.250 11.870 3.030 1.00 0.00 H +ATOM 17929 HW2 SOL 5452 61.940 10.660 2.180 1.00 0.00 H +ATOM 17930 OW SOL 5453 5.070 9.620 52.460 1.00 0.00 O +ATOM 17931 HW1 SOL 5453 5.700 10.280 52.770 1.00 0.00 H +ATOM 17932 HW2 SOL 5453 4.380 10.140 52.040 1.00 0.00 H +ATOM 17933 OW SOL 5454 43.060 21.330 43.140 1.00 0.00 O +ATOM 17934 HW1 SOL 5454 43.660 21.830 42.580 1.00 0.00 H +ATOM 17935 HW2 SOL 5454 42.230 21.320 42.650 1.00 0.00 H +ATOM 17936 OW SOL 5455 40.580 6.330 34.020 1.00 0.00 O +ATOM 17937 HW1 SOL 5455 41.020 6.900 34.650 1.00 0.00 H +ATOM 17938 HW2 SOL 5455 40.410 5.520 34.500 1.00 0.00 H +ATOM 17939 OW SOL 5456 57.330 18.380 38.840 1.00 0.00 O +ATOM 17940 HW1 SOL 5456 57.230 17.500 39.210 1.00 0.00 H +ATOM 17941 HW2 SOL 5456 56.860 18.330 38.000 1.00 0.00 H +ATOM 17942 OW SOL 5457 10.730 40.310 41.650 1.00 0.00 O +ATOM 17943 HW1 SOL 5457 11.190 40.200 42.480 1.00 0.00 H +ATOM 17944 HW2 SOL 5457 9.900 39.850 41.770 1.00 0.00 H +ATOM 17945 OW SOL 5458 36.770 26.010 10.080 1.00 0.00 O +ATOM 17946 HW1 SOL 5458 36.870 26.710 9.440 1.00 0.00 H +ATOM 17947 HW2 SOL 5458 36.420 25.270 9.590 1.00 0.00 H +ATOM 17948 OW SOL 5459 46.910 22.510 5.560 1.00 0.00 O +ATOM 17949 HW1 SOL 5459 46.980 23.440 5.790 1.00 0.00 H +ATOM 17950 HW2 SOL 5459 47.240 22.050 6.340 1.00 0.00 H +ATOM 17951 OW SOL 5460 6.426 58.803 53.345 1.00 0.00 O +ATOM 17952 HW1 SOL 5460 6.836 57.983 53.635 1.00 0.00 H +ATOM 17953 HW2 SOL 5460 6.626 59.433 54.035 1.00 0.00 H +ATOM 17954 OW SOL 5461 27.390 19.950 2.430 1.00 0.00 O +ATOM 17955 HW1 SOL 5461 26.870 19.560 1.730 1.00 0.00 H +ATOM 17956 HW2 SOL 5461 27.580 19.230 3.020 1.00 0.00 H +ATOM 17957 OW SOL 5462 38.370 4.120 3.260 1.00 0.00 O +ATOM 17958 HW1 SOL 5462 37.910 3.770 4.030 1.00 0.00 H +ATOM 17959 HW2 SOL 5462 37.970 4.980 3.120 1.00 0.00 H +ATOM 17960 OW SOL 5463 28.360 38.120 37.060 1.00 0.00 O +ATOM 17961 HW1 SOL 5463 27.890 37.810 36.290 1.00 0.00 H +ATOM 17962 HW2 SOL 5463 28.550 39.040 36.860 1.00 0.00 H +ATOM 17963 OW SOL 5464 32.100 32.140 11.750 1.00 0.00 O +ATOM 17964 HW1 SOL 5464 33.000 32.250 12.050 1.00 0.00 H +ATOM 17965 HW2 SOL 5464 32.100 31.320 11.260 1.00 0.00 H +ATOM 17966 OW SOL 5465 62.040 40.750 7.930 1.00 0.00 O +ATOM 17967 HW1 SOL 5465 61.640 40.740 8.800 1.00 0.00 H +ATOM 17968 HW2 SOL 5465 61.860 41.630 7.600 1.00 0.00 H +ATOM 17969 OW SOL 5466 16.170 52.400 27.780 1.00 0.00 O +ATOM 17970 HW1 SOL 5466 16.920 52.620 28.340 1.00 0.00 H +ATOM 17971 HW2 SOL 5466 16.490 51.700 27.210 1.00 0.00 H +ATOM 17972 OW SOL 5467 63.470 43.980 25.770 1.00 0.00 O +ATOM 17973 HW1 SOL 5467 64.210 43.470 26.090 1.00 0.00 H +ATOM 17974 HW2 SOL 5467 63.760 44.890 25.810 1.00 0.00 H +ATOM 17975 OW SOL 5468 20.520 44.610 49.590 1.00 0.00 O +ATOM 17976 HW1 SOL 5468 21.280 45.170 49.420 1.00 0.00 H +ATOM 17977 HW2 SOL 5468 20.090 45.010 50.340 1.00 0.00 H +ATOM 17978 OW SOL 5469 11.560 34.650 45.650 1.00 0.00 O +ATOM 17979 HW1 SOL 5469 11.560 35.460 46.170 1.00 0.00 H +ATOM 17980 HW2 SOL 5469 10.870 34.120 46.030 1.00 0.00 H +ATOM 17981 OW SOL 5470 18.430 47.820 13.580 1.00 0.00 O +ATOM 17982 HW1 SOL 5470 18.550 48.480 12.900 1.00 0.00 H +ATOM 17983 HW2 SOL 5470 17.520 47.540 13.490 1.00 0.00 H +ATOM 17984 OW SOL 5471 11.930 15.380 39.480 1.00 0.00 O +ATOM 17985 HW1 SOL 5471 11.530 15.950 38.810 1.00 0.00 H +ATOM 17986 HW2 SOL 5471 12.630 15.910 39.850 1.00 0.00 H +ATOM 17987 OW SOL 5472 9.450 29.240 1.610 1.00 0.00 O +ATOM 17988 HW1 SOL 5472 9.730 28.850 2.440 1.00 0.00 H +ATOM 17989 HW2 SOL 5472 10.200 29.780 1.340 1.00 0.00 H +ATOM 17990 OW SOL 5473 60.820 33.860 36.000 1.00 0.00 O +ATOM 17991 HW1 SOL 5473 60.750 33.530 35.100 1.00 0.00 H +ATOM 17992 HW2 SOL 5473 61.750 33.810 36.200 1.00 0.00 H +ATOM 17993 OW SOL 5474 20.290 6.160 53.270 1.00 0.00 O +ATOM 17994 HW1 SOL 5474 20.070 5.920 52.370 1.00 0.00 H +ATOM 17995 HW2 SOL 5474 21.200 6.470 53.230 1.00 0.00 H +ATOM 17996 OW SOL 5475 36.700 14.610 22.840 1.00 0.00 O +ATOM 17997 HW1 SOL 5475 36.010 14.860 23.450 1.00 0.00 H +ATOM 17998 HW2 SOL 5475 36.400 13.790 22.460 1.00 0.00 H +ATOM 17999 OW SOL 5476 26.850 5.950 25.430 1.00 0.00 O +ATOM 18000 HW1 SOL 5476 26.130 5.460 25.830 1.00 0.00 H +ATOM 18001 HW2 SOL 5476 26.650 5.960 24.500 1.00 0.00 H +ATOM 18002 OW SOL 5477 26.830 21.590 40.720 1.00 0.00 O +ATOM 18003 HW1 SOL 5477 27.240 21.750 41.570 1.00 0.00 H +ATOM 18004 HW2 SOL 5477 26.450 20.710 40.790 1.00 0.00 H +ATOM 18005 OW SOL 5478 18.380 11.640 22.570 1.00 0.00 O +ATOM 18006 HW1 SOL 5478 18.280 12.390 23.160 1.00 0.00 H +ATOM 18007 HW2 SOL 5478 17.900 11.900 21.780 1.00 0.00 H +ATOM 18008 OW SOL 5479 30.690 23.170 3.490 1.00 0.00 O +ATOM 18009 HW1 SOL 5479 31.450 22.870 4.000 1.00 0.00 H +ATOM 18010 HW2 SOL 5479 30.700 24.120 3.580 1.00 0.00 H +ATOM 18011 OW SOL 5480 28.140 48.370 41.960 1.00 0.00 O +ATOM 18012 HW1 SOL 5480 28.380 47.470 41.730 1.00 0.00 H +ATOM 18013 HW2 SOL 5480 28.310 48.440 42.900 1.00 0.00 H +ATOM 18014 OW SOL 5481 62.670 25.190 30.120 1.00 0.00 O +ATOM 18015 HW1 SOL 5481 63.580 24.950 30.320 1.00 0.00 H +ATOM 18016 HW2 SOL 5481 62.700 26.140 30.010 1.00 0.00 H +ATOM 18017 OW SOL 5482 1.640 33.390 27.580 1.00 0.00 O +ATOM 18018 HW1 SOL 5482 1.700 34.340 27.700 1.00 0.00 H +ATOM 18019 HW2 SOL 5482 0.840 33.270 27.060 1.00 0.00 H +ATOM 18020 OW SOL 5483 57.750 44.390 5.710 1.00 0.00 O +ATOM 18021 HW1 SOL 5483 58.170 43.730 6.250 1.00 0.00 H +ATOM 18022 HW2 SOL 5483 56.910 44.570 6.140 1.00 0.00 H +ATOM 18023 OW SOL 5484 52.990 24.790 31.290 1.00 0.00 O +ATOM 18024 HW1 SOL 5484 53.090 23.980 30.790 1.00 0.00 H +ATOM 18025 HW2 SOL 5484 52.510 25.380 30.710 1.00 0.00 H +ATOM 18026 OW SOL 5485 35.500 29.530 22.650 1.00 0.00 O +ATOM 18027 HW1 SOL 5485 35.160 30.300 22.180 1.00 0.00 H +ATOM 18028 HW2 SOL 5485 34.730 29.160 23.080 1.00 0.00 H +ATOM 18029 OW SOL 5486 38.300 47.340 41.950 1.00 0.00 O +ATOM 18030 HW1 SOL 5486 37.650 46.770 41.540 1.00 0.00 H +ATOM 18031 HW2 SOL 5486 38.840 47.650 41.220 1.00 0.00 H +ATOM 18032 OW SOL 5487 59.550 52.250 16.060 1.00 0.00 O +ATOM 18033 HW1 SOL 5487 59.890 53.130 16.230 1.00 0.00 H +ATOM 18034 HW2 SOL 5487 58.610 52.320 16.210 1.00 0.00 H +ATOM 18035 OW SOL 5488 65.640 60.640 9.500 1.00 0.00 O +ATOM 18036 HW1 SOL 5488 65.730 60.780 10.450 1.00 0.00 H +ATOM 18037 HW2 SOL 5488 64.690 60.690 9.350 1.00 0.00 H +ATOM 18038 OW SOL 5489 53.330 25.700 23.190 1.00 0.00 O +ATOM 18039 HW1 SOL 5489 54.170 25.370 22.870 1.00 0.00 H +ATOM 18040 HW2 SOL 5489 53.260 25.350 24.070 1.00 0.00 H +ATOM 18041 OW SOL 5490 27.280 38.610 0.530 1.00 0.00 O +ATOM 18042 HW1 SOL 5490 27.230 39.070 -0.310 1.00 0.00 H +ATOM 18043 HW2 SOL 5490 27.790 39.190 1.090 1.00 0.00 H +ATOM 18044 OW SOL 5491 10.020 54.570 26.030 1.00 0.00 O +ATOM 18045 HW1 SOL 5491 9.260 54.430 26.610 1.00 0.00 H +ATOM 18046 HW2 SOL 5491 10.170 55.520 26.060 1.00 0.00 H +ATOM 18047 OW SOL 5492 64.960 32.390 3.180 1.00 0.00 O +ATOM 18048 HW1 SOL 5492 65.550 32.180 2.450 1.00 0.00 H +ATOM 18049 HW2 SOL 5492 64.240 31.770 3.090 1.00 0.00 H +ATOM 18050 OW SOL 5493 11.330 5.900 14.780 1.00 0.00 O +ATOM 18051 HW1 SOL 5493 12.190 5.600 15.070 1.00 0.00 H +ATOM 18052 HW2 SOL 5493 11.320 5.750 13.830 1.00 0.00 H +ATOM 18053 OW SOL 5494 38.970 57.040 12.720 1.00 0.00 O +ATOM 18054 HW1 SOL 5494 39.050 56.210 13.200 1.00 0.00 H +ATOM 18055 HW2 SOL 5494 38.230 56.900 12.130 1.00 0.00 H +ATOM 18056 OW SOL 5495 60.910 44.570 24.940 1.00 0.00 O +ATOM 18057 HW1 SOL 5495 61.830 44.310 25.040 1.00 0.00 H +ATOM 18058 HW2 SOL 5495 60.870 45.450 25.300 1.00 0.00 H +ATOM 18059 OW SOL 5496 1.490 30.640 28.460 1.00 0.00 O +ATOM 18060 HW1 SOL 5496 2.430 30.460 28.380 1.00 0.00 H +ATOM 18061 HW2 SOL 5496 1.420 31.600 28.410 1.00 0.00 H +ATOM 18062 OW SOL 5497 52.390 58.410 15.520 1.00 0.00 O +ATOM 18063 HW1 SOL 5497 51.590 57.900 15.430 1.00 0.00 H +ATOM 18064 HW2 SOL 5497 52.840 58.300 14.680 1.00 0.00 H +ATOM 18065 OW SOL 5498 63.170 18.900 28.110 1.00 0.00 O +ATOM 18066 HW1 SOL 5498 62.540 18.230 27.850 1.00 0.00 H +ATOM 18067 HW2 SOL 5498 63.790 18.440 28.670 1.00 0.00 H +ATOM 18068 OW SOL 5499 20.770 13.730 24.290 1.00 0.00 O +ATOM 18069 HW1 SOL 5499 20.630 14.580 24.720 1.00 0.00 H +ATOM 18070 HW2 SOL 5499 19.900 13.430 24.050 1.00 0.00 H +ATOM 18071 OW SOL 5500 55.430 31.340 26.740 1.00 0.00 O +ATOM 18072 HW1 SOL 5500 55.670 30.500 26.350 1.00 0.00 H +ATOM 18073 HW2 SOL 5500 56.050 31.960 26.370 1.00 0.00 H +ATOM 18074 OW SOL 5501 14.780 3.080 37.900 1.00 0.00 O +ATOM 18075 HW1 SOL 5501 14.940 3.150 36.960 1.00 0.00 H +ATOM 18076 HW2 SOL 5501 15.460 3.630 38.300 1.00 0.00 H +ATOM 18077 OW SOL 5502 26.910 32.530 45.840 1.00 0.00 O +ATOM 18078 HW1 SOL 5502 26.940 32.210 46.740 1.00 0.00 H +ATOM 18079 HW2 SOL 5502 26.320 31.920 45.390 1.00 0.00 H +ATOM 18080 OW SOL 5503 43.480 22.830 32.230 1.00 0.00 O +ATOM 18081 HW1 SOL 5503 42.800 22.380 32.740 1.00 0.00 H +ATOM 18082 HW2 SOL 5503 43.590 22.290 31.450 1.00 0.00 H +ATOM 18083 OW SOL 5504 63.140 60.280 23.790 1.00 0.00 O +ATOM 18084 HW1 SOL 5504 62.500 60.970 23.620 1.00 0.00 H +ATOM 18085 HW2 SOL 5504 62.790 59.510 23.350 1.00 0.00 H +ATOM 18086 OW SOL 5505 49.750 29.100 9.250 1.00 0.00 O +ATOM 18087 HW1 SOL 5505 49.720 29.430 8.350 1.00 0.00 H +ATOM 18088 HW2 SOL 5505 49.430 29.820 9.780 1.00 0.00 H +ATOM 18089 OW SOL 5506 52.000 46.130 15.470 1.00 0.00 O +ATOM 18090 HW1 SOL 5506 51.450 46.390 14.730 1.00 0.00 H +ATOM 18091 HW2 SOL 5506 51.480 46.320 16.250 1.00 0.00 H +ATOM 18092 OW SOL 5507 2.040 27.390 3.640 1.00 0.00 O +ATOM 18093 HW1 SOL 5507 2.880 27.010 3.900 1.00 0.00 H +ATOM 18094 HW2 SOL 5507 2.040 28.270 4.030 1.00 0.00 H +ATOM 18095 OW SOL 5508 50.810 56.760 51.940 1.00 0.00 O +ATOM 18096 HW1 SOL 5508 50.020 56.490 51.480 1.00 0.00 H +ATOM 18097 HW2 SOL 5508 51.530 56.500 51.370 1.00 0.00 H +ATOM 18098 OW SOL 5509 13.490 33.710 47.950 1.00 0.00 O +ATOM 18099 HW1 SOL 5509 13.880 32.950 47.520 1.00 0.00 H +ATOM 18100 HW2 SOL 5509 12.700 33.900 47.440 1.00 0.00 H +ATOM 18101 OW SOL 5510 28.830 13.020 12.450 1.00 0.00 O +ATOM 18102 HW1 SOL 5510 29.470 12.310 12.420 1.00 0.00 H +ATOM 18103 HW2 SOL 5510 28.690 13.260 11.530 1.00 0.00 H +ATOM 18104 OW SOL 5511 54.540 55.100 25.960 1.00 0.00 O +ATOM 18105 HW1 SOL 5511 54.020 54.300 25.880 1.00 0.00 H +ATOM 18106 HW2 SOL 5511 55.210 55.020 25.280 1.00 0.00 H +ATOM 18107 OW SOL 5512 49.660 56.360 1.610 1.00 0.00 O +ATOM 18108 HW1 SOL 5512 50.600 56.510 1.620 1.00 0.00 H +ATOM 18109 HW2 SOL 5512 49.370 56.570 2.500 1.00 0.00 H +ATOM 18110 OW SOL 5513 58.600 48.120 46.340 1.00 0.00 O +ATOM 18111 HW1 SOL 5513 58.980 47.290 46.630 1.00 0.00 H +ATOM 18112 HW2 SOL 5513 59.080 48.780 46.830 1.00 0.00 H +ATOM 18113 OW SOL 5514 3.680 24.300 48.700 1.00 0.00 O +ATOM 18114 HW1 SOL 5514 3.350 25.140 49.030 1.00 0.00 H +ATOM 18115 HW2 SOL 5514 3.850 24.460 47.770 1.00 0.00 H +ATOM 18116 OW SOL 5515 1.570 34.580 24.050 1.00 0.00 O +ATOM 18117 HW1 SOL 5515 2.470 34.420 23.760 1.00 0.00 H +ATOM 18118 HW2 SOL 5515 1.640 35.300 24.690 1.00 0.00 H +ATOM 18119 OW SOL 5516 33.980 47.530 7.320 1.00 0.00 O +ATOM 18120 HW1 SOL 5516 34.540 46.800 7.060 1.00 0.00 H +ATOM 18121 HW2 SOL 5516 33.160 47.390 6.850 1.00 0.00 H +ATOM 18122 OW SOL 5517 26.850 10.590 10.260 1.00 0.00 O +ATOM 18123 HW1 SOL 5517 26.390 11.420 10.150 1.00 0.00 H +ATOM 18124 HW2 SOL 5517 26.350 10.130 10.940 1.00 0.00 H +ATOM 18125 OW SOL 5518 38.000 27.010 24.960 1.00 0.00 O +ATOM 18126 HW1 SOL 5518 37.180 26.990 25.460 1.00 0.00 H +ATOM 18127 HW2 SOL 5518 37.770 27.410 24.120 1.00 0.00 H +ATOM 18128 OW SOL 5519 37.280 27.340 22.520 1.00 0.00 O +ATOM 18129 HW1 SOL 5519 36.920 26.840 21.790 1.00 0.00 H +ATOM 18130 HW2 SOL 5519 36.750 28.140 22.540 1.00 0.00 H +ATOM 18131 OW SOL 5520 48.440 55.850 30.620 1.00 0.00 O +ATOM 18132 HW1 SOL 5520 47.510 55.900 30.830 1.00 0.00 H +ATOM 18133 HW2 SOL 5520 48.620 56.610 30.070 1.00 0.00 H +ATOM 18134 OW SOL 5521 55.030 26.980 43.810 1.00 0.00 O +ATOM 18135 HW1 SOL 5521 55.020 27.660 44.480 1.00 0.00 H +ATOM 18136 HW2 SOL 5521 55.220 27.450 42.990 1.00 0.00 H +ATOM 18137 OW SOL 5522 11.680 10.370 34.340 1.00 0.00 O +ATOM 18138 HW1 SOL 5522 11.780 10.500 33.400 1.00 0.00 H +ATOM 18139 HW2 SOL 5522 12.050 11.160 34.730 1.00 0.00 H +ATOM 18140 OW SOL 5523 7.220 26.310 28.510 1.00 0.00 O +ATOM 18141 HW1 SOL 5523 6.990 26.900 27.790 1.00 0.00 H +ATOM 18142 HW2 SOL 5523 6.820 25.470 28.280 1.00 0.00 H +ATOM 18143 OW SOL 5524 52.980 61.000 11.430 1.00 0.00 O +ATOM 18144 HW1 SOL 5524 52.540 61.680 10.920 1.00 0.00 H +ATOM 18145 HW2 SOL 5524 53.910 61.180 11.310 1.00 0.00 H +ATOM 18146 OW SOL 5525 14.700 36.580 43.580 1.00 0.00 O +ATOM 18147 HW1 SOL 5525 15.270 36.890 42.880 1.00 0.00 H +ATOM 18148 HW2 SOL 5525 13.990 36.130 43.120 1.00 0.00 H +ATOM 18149 OW SOL 5526 26.680 50.250 2.860 1.00 0.00 O +ATOM 18150 HW1 SOL 5526 26.110 50.020 3.590 1.00 0.00 H +ATOM 18151 HW2 SOL 5526 27.550 50.340 3.250 1.00 0.00 H +ATOM 18152 OW SOL 5527 39.350 8.230 22.130 1.00 0.00 O +ATOM 18153 HW1 SOL 5527 40.250 8.050 22.400 1.00 0.00 H +ATOM 18154 HW2 SOL 5527 39.450 8.860 21.410 1.00 0.00 H +ATOM 18155 OW SOL 5528 19.830 13.720 39.910 1.00 0.00 O +ATOM 18156 HW1 SOL 5528 20.420 12.980 39.760 1.00 0.00 H +ATOM 18157 HW2 SOL 5528 19.690 13.720 40.860 1.00 0.00 H +ATOM 18158 OW SOL 5529 60.700 61.340 22.310 1.00 0.00 O +ATOM 18159 HW1 SOL 5529 60.020 60.930 21.780 1.00 0.00 H +ATOM 18160 HW2 SOL 5529 61.480 61.330 21.750 1.00 0.00 H +ATOM 18161 OW SOL 5530 3.420 26.340 33.780 1.00 0.00 O +ATOM 18162 HW1 SOL 5530 3.840 25.830 33.090 1.00 0.00 H +ATOM 18163 HW2 SOL 5530 3.500 25.790 34.570 1.00 0.00 H +ATOM 18164 OW SOL 5531 25.420 58.360 46.700 1.00 0.00 O +ATOM 18165 HW1 SOL 5531 25.210 57.620 46.120 1.00 0.00 H +ATOM 18166 HW2 SOL 5531 26.040 58.890 46.200 1.00 0.00 H +ATOM 18167 OW SOL 5532 53.960 60.080 23.480 1.00 0.00 O +ATOM 18168 HW1 SOL 5532 54.240 59.190 23.690 1.00 0.00 H +ATOM 18169 HW2 SOL 5532 53.030 60.090 23.680 1.00 0.00 H +ATOM 18170 OW SOL 5533 59.830 46.350 39.240 1.00 0.00 O +ATOM 18171 HW1 SOL 5533 59.250 47.060 38.970 1.00 0.00 H +ATOM 18172 HW2 SOL 5533 59.610 45.630 38.640 1.00 0.00 H +ATOM 18173 OW SOL 5534 27.750 4.300 13.600 1.00 0.00 O +ATOM 18174 HW1 SOL 5534 26.850 4.180 13.280 1.00 0.00 H +ATOM 18175 HW2 SOL 5534 28.300 4.160 12.830 1.00 0.00 H +ATOM 18176 OW SOL 5535 63.390 23.650 18.230 1.00 0.00 O +ATOM 18177 HW1 SOL 5535 64.180 23.460 18.750 1.00 0.00 H +ATOM 18178 HW2 SOL 5535 62.850 22.870 18.330 1.00 0.00 H +ATOM 18179 OW SOL 5536 27.070 35.150 20.830 1.00 0.00 O +ATOM 18180 HW1 SOL 5536 27.130 35.750 21.570 1.00 0.00 H +ATOM 18181 HW2 SOL 5536 27.530 35.590 20.120 1.00 0.00 H +ATOM 18182 OW SOL 5537 9.120 50.580 50.660 1.00 0.00 O +ATOM 18183 HW1 SOL 5537 9.620 51.290 51.050 1.00 0.00 H +ATOM 18184 HW2 SOL 5537 8.210 50.880 50.690 1.00 0.00 H +ATOM 18185 OW SOL 5538 47.310 8.390 31.290 1.00 0.00 O +ATOM 18186 HW1 SOL 5538 46.740 8.880 31.880 1.00 0.00 H +ATOM 18187 HW2 SOL 5538 47.340 7.510 31.660 1.00 0.00 H +ATOM 18188 OW SOL 5539 33.600 12.850 50.080 1.00 0.00 O +ATOM 18189 HW1 SOL 5539 34.470 12.960 49.690 1.00 0.00 H +ATOM 18190 HW2 SOL 5539 33.160 13.690 49.950 1.00 0.00 H +ATOM 18191 OW SOL 5540 32.550 11.310 32.820 1.00 0.00 O +ATOM 18192 HW1 SOL 5540 32.370 11.920 33.540 1.00 0.00 H +ATOM 18193 HW2 SOL 5540 32.550 11.860 32.040 1.00 0.00 H +ATOM 18194 OW SOL 5541 32.830 1.290 18.550 1.00 0.00 O +ATOM 18195 HW1 SOL 5541 32.670 2.200 18.310 1.00 0.00 H +ATOM 18196 HW2 SOL 5541 33.750 1.130 18.320 1.00 0.00 H +ATOM 18197 OW SOL 5542 57.320 42.530 30.650 1.00 0.00 O +ATOM 18198 HW1 SOL 5542 58.080 42.950 30.230 1.00 0.00 H +ATOM 18199 HW2 SOL 5542 57.570 41.610 30.720 1.00 0.00 H +ATOM 18200 OW SOL 5543 9.700 38.350 3.590 1.00 0.00 O +ATOM 18201 HW1 SOL 5543 10.600 38.590 3.800 1.00 0.00 H +ATOM 18202 HW2 SOL 5543 9.270 38.230 4.440 1.00 0.00 H +ATOM 18203 OW SOL 5544 11.600 34.610 28.590 1.00 0.00 O +ATOM 18204 HW1 SOL 5544 11.690 35.080 27.760 1.00 0.00 H +ATOM 18205 HW2 SOL 5544 12.270 35.000 29.150 1.00 0.00 H +ATOM 18206 OW SOL 5545 2.440 28.240 29.610 1.00 0.00 O +ATOM 18207 HW1 SOL 5545 3.310 28.530 29.370 1.00 0.00 H +ATOM 18208 HW2 SOL 5545 1.860 28.930 29.300 1.00 0.00 H +ATOM 18209 OW SOL 5546 2.390 52.930 10.570 1.00 0.00 O +ATOM 18210 HW1 SOL 5546 2.480 53.720 10.040 1.00 0.00 H +ATOM 18211 HW2 SOL 5546 3.270 52.770 10.920 1.00 0.00 H +ATOM 18212 OW SOL 5547 11.730 21.170 50.120 1.00 0.00 O +ATOM 18213 HW1 SOL 5547 11.840 20.550 49.400 1.00 0.00 H +ATOM 18214 HW2 SOL 5547 12.600 21.280 50.490 1.00 0.00 H +ATOM 18215 OW SOL 5548 6.130 53.070 34.590 1.00 0.00 O +ATOM 18216 HW1 SOL 5548 6.670 53.660 34.070 1.00 0.00 H +ATOM 18217 HW2 SOL 5548 6.700 52.340 34.800 1.00 0.00 H +ATOM 18218 OW SOL 5549 51.760 20.100 21.930 1.00 0.00 O +ATOM 18219 HW1 SOL 5549 51.230 20.130 22.730 1.00 0.00 H +ATOM 18220 HW2 SOL 5549 52.480 20.700 22.110 1.00 0.00 H +ATOM 18221 OW SOL 5550 54.890 42.430 1.670 1.00 0.00 O +ATOM 18222 HW1 SOL 5550 55.020 42.990 2.430 1.00 0.00 H +ATOM 18223 HW2 SOL 5550 55.730 41.980 1.560 1.00 0.00 H +ATOM 18224 OW SOL 5551 5.380 49.070 27.440 1.00 0.00 O +ATOM 18225 HW1 SOL 5551 4.810 49.840 27.420 1.00 0.00 H +ATOM 18226 HW2 SOL 5551 5.610 48.970 28.360 1.00 0.00 H +ATOM 18227 OW SOL 5552 5.930 0.560 6.040 1.00 0.00 O +ATOM 18228 HW1 SOL 5552 6.010 1.490 5.820 1.00 0.00 H +ATOM 18229 HW2 SOL 5552 6.750 0.170 5.740 1.00 0.00 H +ATOM 18230 OW SOL 5553 17.420 43.080 21.510 1.00 0.00 O +ATOM 18231 HW1 SOL 5553 18.050 42.540 21.020 1.00 0.00 H +ATOM 18232 HW2 SOL 5553 17.970 43.600 22.100 1.00 0.00 H +ATOM 18233 OW SOL 5554 21.550 19.700 15.150 1.00 0.00 O +ATOM 18234 HW1 SOL 5554 22.420 19.310 15.110 1.00 0.00 H +ATOM 18235 HW2 SOL 5554 21.500 20.110 16.020 1.00 0.00 H +ATOM 18236 OW SOL 5555 56.650 25.730 6.710 1.00 0.00 O +ATOM 18237 HW1 SOL 5555 56.810 24.950 7.250 1.00 0.00 H +ATOM 18238 HW2 SOL 5555 56.330 25.390 5.880 1.00 0.00 H +ATOM 18239 OW SOL 5556 1.500 36.980 40.730 1.00 0.00 O +ATOM 18240 HW1 SOL 5556 2.340 37.230 41.110 1.00 0.00 H +ATOM 18241 HW2 SOL 5556 1.720 36.550 39.910 1.00 0.00 H +ATOM 18242 OW SOL 5557 11.400 33.140 51.940 1.00 0.00 O +ATOM 18243 HW1 SOL 5557 12.030 33.750 52.320 1.00 0.00 H +ATOM 18244 HW2 SOL 5557 10.930 33.650 51.280 1.00 0.00 H +ATOM 18245 OW SOL 5558 50.440 58.630 32.900 1.00 0.00 O +ATOM 18246 HW1 SOL 5558 49.900 58.160 33.520 1.00 0.00 H +ATOM 18247 HW2 SOL 5558 50.780 57.960 32.310 1.00 0.00 H +ATOM 18248 OW SOL 5559 55.850 36.550 8.620 1.00 0.00 O +ATOM 18249 HW1 SOL 5559 55.930 35.940 7.890 1.00 0.00 H +ATOM 18250 HW2 SOL 5559 55.710 37.400 8.210 1.00 0.00 H +ATOM 18251 OW SOL 5560 51.310 48.950 39.610 1.00 0.00 O +ATOM 18252 HW1 SOL 5560 50.730 48.190 39.590 1.00 0.00 H +ATOM 18253 HW2 SOL 5560 51.610 49.000 40.510 1.00 0.00 H +ATOM 18254 OW SOL 5561 52.250 27.070 35.070 1.00 0.00 O +ATOM 18255 HW1 SOL 5561 53.050 27.320 35.530 1.00 0.00 H +ATOM 18256 HW2 SOL 5561 52.120 26.150 35.290 1.00 0.00 H +ATOM 18257 OW SOL 5562 61.070 10.210 18.290 1.00 0.00 O +ATOM 18258 HW1 SOL 5562 60.520 9.740 17.660 1.00 0.00 H +ATOM 18259 HW2 SOL 5562 61.270 9.550 18.960 1.00 0.00 H +ATOM 18260 OW SOL 5563 46.180 37.260 24.540 1.00 0.00 O +ATOM 18261 HW1 SOL 5563 46.650 37.860 25.110 1.00 0.00 H +ATOM 18262 HW2 SOL 5563 46.130 36.440 25.040 1.00 0.00 H +ATOM 18263 OW SOL 5564 37.420 13.680 3.850 1.00 0.00 O +ATOM 18264 HW1 SOL 5564 37.500 14.280 3.110 1.00 0.00 H +ATOM 18265 HW2 SOL 5564 36.650 13.990 4.330 1.00 0.00 H +ATOM 18266 OW SOL 5565 21.840 16.320 42.150 1.00 0.00 O +ATOM 18267 HW1 SOL 5565 21.830 15.360 42.080 1.00 0.00 H +ATOM 18268 HW2 SOL 5565 21.940 16.480 43.090 1.00 0.00 H +ATOM 18269 OW SOL 5566 50.400 61.490 37.560 1.00 0.00 O +ATOM 18270 HW1 SOL 5566 50.010 61.330 36.700 1.00 0.00 H +ATOM 18271 HW2 SOL 5566 50.500 60.610 37.940 1.00 0.00 H +ATOM 18272 OW SOL 5567 62.980 16.030 37.750 1.00 0.00 O +ATOM 18273 HW1 SOL 5567 63.710 16.410 37.260 1.00 0.00 H +ATOM 18274 HW2 SOL 5567 62.810 16.650 38.450 1.00 0.00 H +ATOM 18275 OW SOL 5568 47.930 58.410 12.650 1.00 0.00 O +ATOM 18276 HW1 SOL 5568 47.720 59.340 12.700 1.00 0.00 H +ATOM 18277 HW2 SOL 5568 48.490 58.240 13.400 1.00 0.00 H +ATOM 18278 OW SOL 5569 43.840 56.770 42.570 1.00 0.00 O +ATOM 18279 HW1 SOL 5569 44.260 55.980 42.890 1.00 0.00 H +ATOM 18280 HW2 SOL 5569 44.060 56.810 41.640 1.00 0.00 H +ATOM 18281 OW SOL 5570 49.370 24.280 48.070 1.00 0.00 O +ATOM 18282 HW1 SOL 5570 50.250 24.400 47.700 1.00 0.00 H +ATOM 18283 HW2 SOL 5570 49.370 23.380 48.390 1.00 0.00 H +ATOM 18284 OW SOL 5571 54.640 61.260 27.300 1.00 0.00 O +ATOM 18285 HW1 SOL 5571 55.500 61.650 27.450 1.00 0.00 H +ATOM 18286 HW2 SOL 5571 54.670 60.420 27.760 1.00 0.00 H +ATOM 18287 OW SOL 5572 0.000 12.520 12.460 1.00 0.00 O +ATOM 18288 HW1 SOL 5572 0.750 12.610 11.890 1.00 0.00 H +ATOM 18289 HW2 SOL 5572 0.160 13.140 13.180 1.00 0.00 H +ATOM 18290 OW SOL 5573 22.200 38.750 51.910 1.00 0.00 O +ATOM 18291 HW1 SOL 5573 22.280 39.590 51.470 1.00 0.00 H +ATOM 18292 HW2 SOL 5573 21.610 38.240 51.350 1.00 0.00 H +ATOM 18293 OW SOL 5574 38.060 19.070 7.480 1.00 0.00 O +ATOM 18294 HW1 SOL 5574 38.060 18.180 7.120 1.00 0.00 H +ATOM 18295 HW2 SOL 5574 38.840 19.100 8.040 1.00 0.00 H +ATOM 18296 OW SOL 5575 22.220 39.830 16.120 1.00 0.00 O +ATOM 18297 HW1 SOL 5575 22.370 38.890 16.160 1.00 0.00 H +ATOM 18298 HW2 SOL 5575 22.930 40.210 16.640 1.00 0.00 H +ATOM 18299 OW SOL 5576 15.710 39.810 42.270 1.00 0.00 O +ATOM 18300 HW1 SOL 5576 15.700 40.450 42.990 1.00 0.00 H +ATOM 18301 HW2 SOL 5576 16.580 39.430 42.300 1.00 0.00 H +ATOM 18302 OW SOL 5577 2.260 6.530 45.400 1.00 0.00 O +ATOM 18303 HW1 SOL 5577 2.160 7.330 45.920 1.00 0.00 H +ATOM 18304 HW2 SOL 5577 2.250 5.820 46.050 1.00 0.00 H +ATOM 18305 OW SOL 5578 46.550 26.850 9.330 1.00 0.00 O +ATOM 18306 HW1 SOL 5578 47.430 26.640 9.020 1.00 0.00 H +ATOM 18307 HW2 SOL 5578 46.070 26.020 9.290 1.00 0.00 H +ATOM 18308 OW SOL 5579 33.930 1.640 35.640 1.00 0.00 O +ATOM 18309 HW1 SOL 5579 33.130 1.930 36.090 1.00 0.00 H +ATOM 18310 HW2 SOL 5579 34.180 0.830 36.100 1.00 0.00 H +ATOM 18311 OW SOL 5580 47.190 49.780 4.630 1.00 0.00 O +ATOM 18312 HW1 SOL 5580 46.700 50.340 4.040 1.00 0.00 H +ATOM 18313 HW2 SOL 5580 47.360 48.980 4.130 1.00 0.00 H +ATOM 18314 OW SOL 5581 2.810 60.220 5.200 1.00 0.00 O +ATOM 18315 HW1 SOL 5581 2.370 60.470 4.400 1.00 0.00 H +ATOM 18316 HW2 SOL 5581 2.130 60.250 5.880 1.00 0.00 H +ATOM 18317 OW SOL 5582 62.880 4.000 41.450 1.00 0.00 O +ATOM 18318 HW1 SOL 5582 63.160 3.310 42.050 1.00 0.00 H +ATOM 18319 HW2 SOL 5582 63.690 4.470 41.230 1.00 0.00 H +ATOM 18320 OW SOL 5583 48.300 23.010 45.150 1.00 0.00 O +ATOM 18321 HW1 SOL 5583 48.830 22.290 44.790 1.00 0.00 H +ATOM 18322 HW2 SOL 5583 48.930 23.670 45.420 1.00 0.00 H +ATOM 18323 OW SOL 5584 37.480 3.530 25.340 1.00 0.00 O +ATOM 18324 HW1 SOL 5584 36.920 3.170 26.020 1.00 0.00 H +ATOM 18325 HW2 SOL 5584 37.560 2.830 24.690 1.00 0.00 H +ATOM 18326 OW SOL 5585 7.230 17.860 26.010 1.00 0.00 O +ATOM 18327 HW1 SOL 5585 8.130 17.870 25.700 1.00 0.00 H +ATOM 18328 HW2 SOL 5585 7.220 18.450 26.770 1.00 0.00 H +ATOM 18329 OW SOL 5586 27.950 56.730 7.290 1.00 0.00 O +ATOM 18330 HW1 SOL 5586 28.280 56.000 6.760 1.00 0.00 H +ATOM 18331 HW2 SOL 5586 27.010 56.570 7.370 1.00 0.00 H +ATOM 18332 OW SOL 5587 29.480 6.270 47.750 1.00 0.00 O +ATOM 18333 HW1 SOL 5587 29.110 7.150 47.660 1.00 0.00 H +ATOM 18334 HW2 SOL 5587 28.740 5.680 47.620 1.00 0.00 H +ATOM 18335 OW SOL 5588 28.550 7.850 17.070 1.00 0.00 O +ATOM 18336 HW1 SOL 5588 27.860 8.020 17.710 1.00 0.00 H +ATOM 18337 HW2 SOL 5588 29.310 7.610 17.610 1.00 0.00 H +ATOM 18338 OW SOL 5589 46.170 5.850 25.650 1.00 0.00 O +ATOM 18339 HW1 SOL 5589 46.990 5.360 25.530 1.00 0.00 H +ATOM 18340 HW2 SOL 5589 45.900 5.620 26.540 1.00 0.00 H +ATOM 18341 OW SOL 5590 57.680 29.710 36.540 1.00 0.00 O +ATOM 18342 HW1 SOL 5590 57.980 30.600 36.370 1.00 0.00 H +ATOM 18343 HW2 SOL 5590 57.500 29.690 37.480 1.00 0.00 H +ATOM 18344 OW SOL 5591 14.520 31.910 46.300 1.00 0.00 O +ATOM 18345 HW1 SOL 5591 15.240 32.100 45.700 1.00 0.00 H +ATOM 18346 HW2 SOL 5591 14.180 31.070 46.000 1.00 0.00 H +ATOM 18347 OW SOL 5592 58.010 25.730 19.170 1.00 0.00 O +ATOM 18348 HW1 SOL 5592 57.820 26.630 18.910 1.00 0.00 H +ATOM 18349 HW2 SOL 5592 57.260 25.230 18.840 1.00 0.00 H +ATOM 18350 OW SOL 5593 47.730 43.860 0.990 1.00 0.00 O +ATOM 18351 HW1 SOL 5593 48.110 43.220 0.390 1.00 0.00 H +ATOM 18352 HW2 SOL 5593 48.310 44.620 0.930 1.00 0.00 H +ATOM 18353 OW SOL 5594 47.200 48.850 31.800 1.00 0.00 O +ATOM 18354 HW1 SOL 5594 47.010 48.580 30.900 1.00 0.00 H +ATOM 18355 HW2 SOL 5594 46.330 48.930 32.200 1.00 0.00 H +ATOM 18356 OW SOL 5595 38.360 3.020 34.250 1.00 0.00 O +ATOM 18357 HW1 SOL 5595 38.140 3.940 34.130 1.00 0.00 H +ATOM 18358 HW2 SOL 5595 37.950 2.580 33.510 1.00 0.00 H +ATOM 18359 OW SOL 5596 43.250 54.470 17.810 1.00 0.00 O +ATOM 18360 HW1 SOL 5596 43.890 54.820 18.420 1.00 0.00 H +ATOM 18361 HW2 SOL 5596 42.400 54.640 18.210 1.00 0.00 H +ATOM 18362 OW SOL 5597 32.910 26.330 30.430 1.00 0.00 O +ATOM 18363 HW1 SOL 5597 32.660 25.950 31.280 1.00 0.00 H +ATOM 18364 HW2 SOL 5597 32.810 25.600 29.810 1.00 0.00 H +ATOM 18365 OW SOL 5598 35.660 14.200 27.490 1.00 0.00 O +ATOM 18366 HW1 SOL 5598 34.820 13.900 27.140 1.00 0.00 H +ATOM 18367 HW2 SOL 5598 35.990 13.450 27.980 1.00 0.00 H +ATOM 18368 OW SOL 5599 46.400 26.820 4.740 1.00 0.00 O +ATOM 18369 HW1 SOL 5599 46.590 27.600 5.280 1.00 0.00 H +ATOM 18370 HW2 SOL 5599 47.060 26.180 5.010 1.00 0.00 H +ATOM 18371 OW SOL 5600 16.520 57.130 13.380 1.00 0.00 O +ATOM 18372 HW1 SOL 5600 16.080 57.970 13.290 1.00 0.00 H +ATOM 18373 HW2 SOL 5600 16.530 56.970 14.320 1.00 0.00 H +ATOM 18374 OW SOL 5601 54.010 46.900 17.940 1.00 0.00 O +ATOM 18375 HW1 SOL 5601 53.460 47.260 17.240 1.00 0.00 H +ATOM 18376 HW2 SOL 5601 53.460 46.930 18.720 1.00 0.00 H +ATOM 18377 OW SOL 5602 47.330 47.110 14.080 1.00 0.00 O +ATOM 18378 HW1 SOL 5602 47.560 46.390 14.670 1.00 0.00 H +ATOM 18379 HW2 SOL 5602 47.620 46.830 13.220 1.00 0.00 H +ATOM 18380 OW SOL 5603 20.930 13.140 27.510 1.00 0.00 O +ATOM 18381 HW1 SOL 5603 21.260 13.530 26.700 1.00 0.00 H +ATOM 18382 HW2 SOL 5603 19.980 13.250 27.470 1.00 0.00 H +ATOM 18383 OW SOL 5604 61.270 12.040 7.630 1.00 0.00 O +ATOM 18384 HW1 SOL 5604 61.270 11.090 7.490 1.00 0.00 H +ATOM 18385 HW2 SOL 5604 60.560 12.370 7.080 1.00 0.00 H +ATOM 18386 OW SOL 5605 35.110 17.970 34.890 1.00 0.00 O +ATOM 18387 HW1 SOL 5605 35.950 18.390 34.730 1.00 0.00 H +ATOM 18388 HW2 SOL 5605 34.610 18.610 35.400 1.00 0.00 H +ATOM 18389 OW SOL 5606 58.310 30.210 39.320 1.00 0.00 O +ATOM 18390 HW1 SOL 5606 58.340 31.120 39.600 1.00 0.00 H +ATOM 18391 HW2 SOL 5606 58.980 30.140 38.640 1.00 0.00 H +ATOM 18392 OW SOL 5607 28.620 28.040 52.200 1.00 0.00 O +ATOM 18393 HW1 SOL 5607 28.380 27.140 52.420 1.00 0.00 H +ATOM 18394 HW2 SOL 5607 27.890 28.570 52.530 1.00 0.00 H +ATOM 18395 OW SOL 5608 13.670 37.820 30.690 1.00 0.00 O +ATOM 18396 HW1 SOL 5608 13.070 37.200 31.090 1.00 0.00 H +ATOM 18397 HW2 SOL 5608 13.510 37.750 29.750 1.00 0.00 H +ATOM 18398 OW SOL 5609 29.800 32.500 2.740 1.00 0.00 O +ATOM 18399 HW1 SOL 5609 29.010 33.000 2.950 1.00 0.00 H +ATOM 18400 HW2 SOL 5609 30.110 32.850 1.910 1.00 0.00 H +ATOM 18401 OW SOL 5610 13.110 14.910 7.850 1.00 0.00 O +ATOM 18402 HW1 SOL 5610 13.740 14.230 7.630 1.00 0.00 H +ATOM 18403 HW2 SOL 5610 12.260 14.480 7.800 1.00 0.00 H +ATOM 18404 OW SOL 5611 2.380 16.820 20.410 1.00 0.00 O +ATOM 18405 HW1 SOL 5611 2.410 16.140 19.750 1.00 0.00 H +ATOM 18406 HW2 SOL 5611 2.130 17.610 19.930 1.00 0.00 H +ATOM 18407 OW SOL 5612 15.870 12.490 33.740 1.00 0.00 O +ATOM 18408 HW1 SOL 5612 16.440 12.150 34.430 1.00 0.00 H +ATOM 18409 HW2 SOL 5612 15.420 13.230 34.150 1.00 0.00 H +ATOM 18410 OW SOL 5613 25.180 24.990 37.470 1.00 0.00 O +ATOM 18411 HW1 SOL 5613 25.860 24.320 37.520 1.00 0.00 H +ATOM 18412 HW2 SOL 5613 24.820 25.040 38.360 1.00 0.00 H +ATOM 18413 OW SOL 5614 62.580 14.490 35.240 1.00 0.00 O +ATOM 18414 HW1 SOL 5614 63.090 13.820 35.710 1.00 0.00 H +ATOM 18415 HW2 SOL 5614 62.590 15.250 35.820 1.00 0.00 H +ATOM 18416 OW SOL 5615 52.570 41.720 36.730 1.00 0.00 O +ATOM 18417 HW1 SOL 5615 53.110 40.940 36.850 1.00 0.00 H +ATOM 18418 HW2 SOL 5615 52.750 42.000 35.830 1.00 0.00 H +ATOM 18419 OW SOL 5616 53.520 42.920 48.100 1.00 0.00 O +ATOM 18420 HW1 SOL 5616 52.650 42.780 47.720 1.00 0.00 H +ATOM 18421 HW2 SOL 5616 53.710 43.840 47.960 1.00 0.00 H +ATOM 18422 OW SOL 5617 11.520 23.470 2.390 1.00 0.00 O +ATOM 18423 HW1 SOL 5617 10.960 23.030 1.760 1.00 0.00 H +ATOM 18424 HW2 SOL 5617 12.340 22.970 2.360 1.00 0.00 H +ATOM 18425 OW SOL 5618 55.710 44.870 31.120 1.00 0.00 O +ATOM 18426 HW1 SOL 5618 55.690 44.730 32.070 1.00 0.00 H +ATOM 18427 HW2 SOL 5618 56.260 44.160 30.780 1.00 0.00 H +ATOM 18428 OW SOL 5619 40.810 55.740 18.120 1.00 0.00 O +ATOM 18429 HW1 SOL 5619 40.830 56.560 17.630 1.00 0.00 H +ATOM 18430 HW2 SOL 5619 40.580 56.000 19.010 1.00 0.00 H +ATOM 18431 OW SOL 5620 19.770 37.850 16.000 1.00 0.00 O +ATOM 18432 HW1 SOL 5620 18.880 38.200 16.020 1.00 0.00 H +ATOM 18433 HW2 SOL 5620 20.230 38.300 16.710 1.00 0.00 H +ATOM 18434 OW SOL 5621 32.160 4.690 31.170 1.00 0.00 O +ATOM 18435 HW1 SOL 5621 31.670 4.740 30.360 1.00 0.00 H +ATOM 18436 HW2 SOL 5621 32.830 5.370 31.080 1.00 0.00 H +ATOM 18437 OW SOL 5622 31.040 25.990 25.730 1.00 0.00 O +ATOM 18438 HW1 SOL 5622 30.170 26.050 25.340 1.00 0.00 H +ATOM 18439 HW2 SOL 5622 31.640 25.960 24.990 1.00 0.00 H +ATOM 18440 OW SOL 5623 12.820 44.060 2.440 1.00 0.00 O +ATOM 18441 HW1 SOL 5623 12.510 44.860 2.010 1.00 0.00 H +ATOM 18442 HW2 SOL 5623 13.140 44.360 3.290 1.00 0.00 H +ATOM 18443 OW SOL 5624 44.790 2.360 31.330 1.00 0.00 O +ATOM 18444 HW1 SOL 5624 45.250 2.370 32.170 1.00 0.00 H +ATOM 18445 HW2 SOL 5624 45.290 1.740 30.800 1.00 0.00 H +ATOM 18446 OW SOL 5625 10.230 23.980 34.630 1.00 0.00 O +ATOM 18447 HW1 SOL 5625 10.800 23.220 34.570 1.00 0.00 H +ATOM 18448 HW2 SOL 5625 9.340 23.620 34.660 1.00 0.00 H +ATOM 18449 OW SOL 5626 33.880 2.390 13.410 1.00 0.00 O +ATOM 18450 HW1 SOL 5626 33.710 2.510 12.480 1.00 0.00 H +ATOM 18451 HW2 SOL 5626 33.980 3.280 13.750 1.00 0.00 H +ATOM 18452 OW SOL 5627 41.680 43.350 13.580 1.00 0.00 O +ATOM 18453 HW1 SOL 5627 42.460 43.730 14.000 1.00 0.00 H +ATOM 18454 HW2 SOL 5627 41.500 42.550 14.080 1.00 0.00 H +ATOM 18455 OW SOL 5628 23.160 48.670 0.740 1.00 0.00 O +ATOM 18456 HW1 SOL 5628 23.140 49.340 0.050 1.00 0.00 H +ATOM 18457 HW2 SOL 5628 23.590 47.920 0.320 1.00 0.00 H +ATOM 18458 OW SOL 5629 20.530 17.730 5.280 1.00 0.00 O +ATOM 18459 HW1 SOL 5629 20.710 17.140 6.010 1.00 0.00 H +ATOM 18460 HW2 SOL 5629 20.440 18.590 5.690 1.00 0.00 H +ATOM 18461 OW SOL 5630 61.890 35.720 52.600 1.00 0.00 O +ATOM 18462 HW1 SOL 5630 61.130 35.430 52.090 1.00 0.00 H +ATOM 18463 HW2 SOL 5630 61.950 36.660 52.430 1.00 0.00 H +ATOM 18464 OW SOL 5631 49.700 6.750 33.630 1.00 0.00 O +ATOM 18465 HW1 SOL 5631 50.500 7.260 33.460 1.00 0.00 H +ATOM 18466 HW2 SOL 5631 49.920 6.190 34.370 1.00 0.00 H +ATOM 18467 OW SOL 5632 9.480 53.930 18.320 1.00 0.00 O +ATOM 18468 HW1 SOL 5632 9.580 53.200 18.930 1.00 0.00 H +ATOM 18469 HW2 SOL 5632 8.540 53.930 18.110 1.00 0.00 H +ATOM 18470 OW SOL 5633 44.780 55.880 37.630 1.00 0.00 O +ATOM 18471 HW1 SOL 5633 45.650 55.590 37.360 1.00 0.00 H +ATOM 18472 HW2 SOL 5633 44.390 56.240 36.830 1.00 0.00 H +ATOM 18473 OW SOL 5634 30.150 50.700 51.850 1.00 0.00 O +ATOM 18474 HW1 SOL 5634 29.250 50.670 51.520 1.00 0.00 H +ATOM 18475 HW2 SOL 5634 30.300 49.830 52.220 1.00 0.00 H +ATOM 18476 OW SOL 5635 41.630 31.200 39.180 1.00 0.00 O +ATOM 18477 HW1 SOL 5635 41.370 30.290 39.070 1.00 0.00 H +ATOM 18478 HW2 SOL 5635 41.180 31.660 38.470 1.00 0.00 H +ATOM 18479 OW SOL 5636 54.450 11.500 39.870 1.00 0.00 O +ATOM 18480 HW1 SOL 5636 55.380 11.320 39.960 1.00 0.00 H +ATOM 18481 HW2 SOL 5636 54.080 11.320 40.740 1.00 0.00 H +ATOM 18482 OW SOL 5637 39.660 37.010 45.430 1.00 0.00 O +ATOM 18483 HW1 SOL 5637 39.680 37.940 45.220 1.00 0.00 H +ATOM 18484 HW2 SOL 5637 39.310 36.590 44.650 1.00 0.00 H +ATOM 18485 OW SOL 5638 32.140 16.000 10.820 1.00 0.00 O +ATOM 18486 HW1 SOL 5638 32.710 16.620 11.270 1.00 0.00 H +ATOM 18487 HW2 SOL 5638 32.690 15.230 10.680 1.00 0.00 H +ATOM 18488 OW SOL 5639 62.290 39.580 19.770 1.00 0.00 O +ATOM 18489 HW1 SOL 5639 62.880 38.990 20.240 1.00 0.00 H +ATOM 18490 HW2 SOL 5639 62.850 40.320 19.530 1.00 0.00 H +ATOM 18491 OW SOL 5640 41.390 36.930 17.960 1.00 0.00 O +ATOM 18492 HW1 SOL 5640 41.680 37.580 18.610 1.00 0.00 H +ATOM 18493 HW2 SOL 5640 40.730 37.380 17.440 1.00 0.00 H +ATOM 18494 OW SOL 5641 43.260 28.720 8.220 1.00 0.00 O +ATOM 18495 HW1 SOL 5641 43.070 29.400 7.580 1.00 0.00 H +ATOM 18496 HW2 SOL 5641 43.340 27.920 7.700 1.00 0.00 H +ATOM 18497 OW SOL 5642 13.000 19.540 48.550 1.00 0.00 O +ATOM 18498 HW1 SOL 5642 13.460 19.470 47.710 1.00 0.00 H +ATOM 18499 HW2 SOL 5642 13.110 18.680 48.960 1.00 0.00 H +ATOM 18500 OW SOL 5643 18.440 21.050 44.610 1.00 0.00 O +ATOM 18501 HW1 SOL 5643 18.630 21.640 43.880 1.00 0.00 H +ATOM 18502 HW2 SOL 5643 17.670 20.560 44.310 1.00 0.00 H +ATOM 18503 OW SOL 5644 1.030 50.710 13.390 1.00 0.00 O +ATOM 18504 HW1 SOL 5644 1.360 51.570 13.650 1.00 0.00 H +ATOM 18505 HW2 SOL 5644 0.230 50.590 13.890 1.00 0.00 H +ATOM 18506 OW SOL 5645 47.060 45.930 48.500 1.00 0.00 O +ATOM 18507 HW1 SOL 5645 47.540 45.430 49.160 1.00 0.00 H +ATOM 18508 HW2 SOL 5645 46.730 45.270 47.890 1.00 0.00 H +ATOM 18509 OW SOL 5646 4.470 0.570 8.240 1.00 0.00 O +ATOM 18510 HW1 SOL 5646 4.880 0.560 7.380 1.00 0.00 H +ATOM 18511 HW2 SOL 5646 4.130 1.460 8.330 1.00 0.00 H +ATOM 18512 OW SOL 5647 41.650 15.590 5.970 1.00 0.00 O +ATOM 18513 HW1 SOL 5647 41.420 14.670 6.040 1.00 0.00 H +ATOM 18514 HW2 SOL 5647 42.610 15.600 6.040 1.00 0.00 H +ATOM 18515 OW SOL 5648 36.050 46.920 47.960 1.00 0.00 O +ATOM 18516 HW1 SOL 5648 35.900 46.250 47.290 1.00 0.00 H +ATOM 18517 HW2 SOL 5648 36.780 46.580 48.470 1.00 0.00 H +ATOM 18518 OW SOL 5649 11.610 23.290 13.660 1.00 0.00 O +ATOM 18519 HW1 SOL 5649 11.540 22.920 14.540 1.00 0.00 H +ATOM 18520 HW2 SOL 5649 10.770 23.090 13.250 1.00 0.00 H +ATOM 18521 OW SOL 5650 24.970 52.170 10.330 1.00 0.00 O +ATOM 18522 HW1 SOL 5650 25.180 51.750 9.500 1.00 0.00 H +ATOM 18523 HW2 SOL 5650 25.480 51.690 10.980 1.00 0.00 H +ATOM 18524 OW SOL 5651 8.920 43.350 20.380 1.00 0.00 O +ATOM 18525 HW1 SOL 5651 8.690 43.850 21.160 1.00 0.00 H +ATOM 18526 HW2 SOL 5651 9.650 43.830 19.990 1.00 0.00 H +ATOM 18527 OW SOL 5652 1.970 17.800 34.740 1.00 0.00 O +ATOM 18528 HW1 SOL 5652 1.690 17.940 33.840 1.00 0.00 H +ATOM 18529 HW2 SOL 5652 1.220 18.050 35.280 1.00 0.00 H +ATOM 18530 OW SOL 5653 16.610 16.580 7.700 1.00 0.00 O +ATOM 18531 HW1 SOL 5653 16.550 16.950 6.820 1.00 0.00 H +ATOM 18532 HW2 SOL 5653 15.750 16.730 8.080 1.00 0.00 H +ATOM 18533 OW SOL 5654 2.446 0.288 38.780 1.00 0.00 O +ATOM 18534 HW1 SOL 5654 2.356 -0.102 39.650 1.00 0.00 H +ATOM 18535 HW2 SOL 5654 3.046 -0.302 38.320 1.00 0.00 H +ATOM 18536 OW SOL 5655 28.880 9.650 50.120 1.00 0.00 O +ATOM 18537 HW1 SOL 5655 28.390 10.160 49.470 1.00 0.00 H +ATOM 18538 HW2 SOL 5655 28.340 9.680 50.910 1.00 0.00 H +ATOM 18539 OW SOL 5656 54.260 55.630 20.310 1.00 0.00 O +ATOM 18540 HW1 SOL 5656 53.890 55.330 19.480 1.00 0.00 H +ATOM 18541 HW2 SOL 5656 55.130 55.210 20.350 1.00 0.00 H +ATOM 18542 OW SOL 5657 18.380 28.610 39.500 1.00 0.00 O +ATOM 18543 HW1 SOL 5657 19.270 28.380 39.740 1.00 0.00 H +ATOM 18544 HW2 SOL 5657 18.330 28.440 38.560 1.00 0.00 H +ATOM 18545 OW SOL 5658 7.910 5.310 2.700 1.00 0.00 O +ATOM 18546 HW1 SOL 5658 7.510 4.570 3.170 1.00 0.00 H +ATOM 18547 HW2 SOL 5658 7.800 6.060 3.290 1.00 0.00 H +ATOM 18548 OW SOL 5659 52.100 8.130 32.840 1.00 0.00 O +ATOM 18549 HW1 SOL 5659 51.990 9.040 33.090 1.00 0.00 H +ATOM 18550 HW2 SOL 5659 53.050 8.010 32.770 1.00 0.00 H +ATOM 18551 OW SOL 5660 0.910 37.740 33.900 1.00 0.00 O +ATOM 18552 HW1 SOL 5660 0.370 37.990 34.640 1.00 0.00 H +ATOM 18553 HW2 SOL 5660 1.800 37.720 34.240 1.00 0.00 H +ATOM 18554 OW SOL 5661 45.510 10.850 40.460 1.00 0.00 O +ATOM 18555 HW1 SOL 5661 45.700 11.140 39.570 1.00 0.00 H +ATOM 18556 HW2 SOL 5661 45.700 9.910 40.450 1.00 0.00 H +ATOM 18557 OW SOL 5662 65.520 51.530 0.710 1.00 0.00 O +ATOM 18558 HW1 SOL 5662 64.770 51.020 1.020 1.00 0.00 H +ATOM 18559 HW2 SOL 5662 65.220 52.440 0.720 1.00 0.00 H +ATOM 18560 OW SOL 5663 48.260 24.100 28.730 1.00 0.00 O +ATOM 18561 HW1 SOL 5663 47.860 23.680 27.960 1.00 0.00 H +ATOM 18562 HW2 SOL 5663 48.310 25.020 28.500 1.00 0.00 H +ATOM 18563 OW SOL 5664 35.800 3.700 5.900 1.00 0.00 O +ATOM 18564 HW1 SOL 5664 34.920 3.860 5.570 1.00 0.00 H +ATOM 18565 HW2 SOL 5664 35.860 2.740 5.970 1.00 0.00 H +ATOM 18566 OW SOL 5665 50.890 45.220 32.440 1.00 0.00 O +ATOM 18567 HW1 SOL 5665 51.730 45.220 32.000 1.00 0.00 H +ATOM 18568 HW2 SOL 5665 50.470 46.030 32.160 1.00 0.00 H +ATOM 18569 OW SOL 5666 14.840 8.170 27.960 1.00 0.00 O +ATOM 18570 HW1 SOL 5666 14.980 8.220 27.010 1.00 0.00 H +ATOM 18571 HW2 SOL 5666 15.560 8.690 28.330 1.00 0.00 H +ATOM 18572 OW SOL 5667 50.220 56.280 41.460 1.00 0.00 O +ATOM 18573 HW1 SOL 5667 50.100 57.040 40.900 1.00 0.00 H +ATOM 18574 HW2 SOL 5667 50.560 56.630 42.280 1.00 0.00 H +ATOM 18575 OW SOL 5668 7.480 5.620 21.950 1.00 0.00 O +ATOM 18576 HW1 SOL 5668 7.790 5.400 22.830 1.00 0.00 H +ATOM 18577 HW2 SOL 5668 6.530 5.680 22.030 1.00 0.00 H +ATOM 18578 OW SOL 5669 59.140 43.200 48.420 1.00 0.00 O +ATOM 18579 HW1 SOL 5669 58.440 42.630 48.100 1.00 0.00 H +ATOM 18580 HW2 SOL 5669 59.120 43.090 49.370 1.00 0.00 H +ATOM 18581 OW SOL 5670 17.630 30.940 12.760 1.00 0.00 O +ATOM 18582 HW1 SOL 5670 18.510 30.870 12.390 1.00 0.00 H +ATOM 18583 HW2 SOL 5670 17.760 30.850 13.700 1.00 0.00 H +ATOM 18584 OW SOL 5671 57.260 25.710 12.600 1.00 0.00 O +ATOM 18585 HW1 SOL 5671 56.370 25.690 12.250 1.00 0.00 H +ATOM 18586 HW2 SOL 5671 57.740 25.060 12.090 1.00 0.00 H +ATOM 18587 OW SOL 5672 9.350 32.650 11.270 1.00 0.00 O +ATOM 18588 HW1 SOL 5672 9.430 32.070 10.520 1.00 0.00 H +ATOM 18589 HW2 SOL 5672 8.820 33.380 10.950 1.00 0.00 H +ATOM 18590 OW SOL 5673 62.800 57.600 48.380 1.00 0.00 O +ATOM 18591 HW1 SOL 5673 63.070 57.360 49.270 1.00 0.00 H +ATOM 18592 HW2 SOL 5673 62.930 58.540 48.330 1.00 0.00 H +ATOM 18593 OW SOL 5674 13.870 29.490 50.390 1.00 0.00 O +ATOM 18594 HW1 SOL 5674 14.570 30.120 50.220 1.00 0.00 H +ATOM 18595 HW2 SOL 5674 13.940 28.860 49.680 1.00 0.00 H +ATOM 18596 OW SOL 5675 49.300 61.270 14.610 1.00 0.00 O +ATOM 18597 HW1 SOL 5675 49.590 60.600 15.230 1.00 0.00 H +ATOM 18598 HW2 SOL 5675 49.740 62.070 14.900 1.00 0.00 H +ATOM 18599 OW SOL 5676 37.020 5.680 44.900 1.00 0.00 O +ATOM 18600 HW1 SOL 5676 37.540 4.960 44.550 1.00 0.00 H +ATOM 18601 HW2 SOL 5676 36.430 5.920 44.180 1.00 0.00 H +ATOM 18602 OW SOL 5677 65.330 6.580 25.270 1.00 0.00 O +ATOM 18603 HW1 SOL 5677 65.800 6.640 26.110 1.00 0.00 H +ATOM 18604 HW2 SOL 5677 65.450 7.450 24.870 1.00 0.00 H +ATOM 18605 OW SOL 5678 52.530 19.440 28.740 1.00 0.00 O +ATOM 18606 HW1 SOL 5678 52.330 20.140 29.370 1.00 0.00 H +ATOM 18607 HW2 SOL 5678 51.670 19.120 28.470 1.00 0.00 H +ATOM 18608 OW SOL 5679 16.590 58.580 3.320 1.00 0.00 O +ATOM 18609 HW1 SOL 5679 16.770 57.730 3.710 1.00 0.00 H +ATOM 18610 HW2 SOL 5679 17.020 59.210 3.900 1.00 0.00 H +ATOM 18611 OW SOL 5680 47.260 34.640 23.010 1.00 0.00 O +ATOM 18612 HW1 SOL 5680 46.890 35.310 22.430 1.00 0.00 H +ATOM 18613 HW2 SOL 5680 47.820 35.140 23.610 1.00 0.00 H +ATOM 18614 OW SOL 5681 39.830 47.500 39.740 1.00 0.00 O +ATOM 18615 HW1 SOL 5681 39.530 46.800 39.160 1.00 0.00 H +ATOM 18616 HW2 SOL 5681 40.120 48.200 39.150 1.00 0.00 H +ATOM 18617 OW SOL 5682 42.300 48.130 2.540 1.00 0.00 O +ATOM 18618 HW1 SOL 5682 43.160 48.120 2.120 1.00 0.00 H +ATOM 18619 HW2 SOL 5682 41.720 47.700 1.920 1.00 0.00 H +ATOM 18620 OW SOL 5683 44.840 51.670 41.290 1.00 0.00 O +ATOM 18621 HW1 SOL 5683 45.670 51.810 40.830 1.00 0.00 H +ATOM 18622 HW2 SOL 5683 44.980 52.050 42.160 1.00 0.00 H +ATOM 18623 OW SOL 5684 43.800 33.450 50.740 1.00 0.00 O +ATOM 18624 HW1 SOL 5684 43.790 32.700 51.330 1.00 0.00 H +ATOM 18625 HW2 SOL 5684 43.570 33.080 49.890 1.00 0.00 H +ATOM 18626 OW SOL 5685 37.560 55.900 5.310 1.00 0.00 O +ATOM 18627 HW1 SOL 5685 38.180 55.370 5.800 1.00 0.00 H +ATOM 18628 HW2 SOL 5685 36.890 56.150 5.950 1.00 0.00 H +ATOM 18629 OW SOL 5686 57.750 36.870 22.290 1.00 0.00 O +ATOM 18630 HW1 SOL 5686 58.450 37.330 21.820 1.00 0.00 H +ATOM 18631 HW2 SOL 5686 56.950 37.320 22.020 1.00 0.00 H +ATOM 18632 OW SOL 5687 49.770 33.820 6.160 1.00 0.00 O +ATOM 18633 HW1 SOL 5687 50.420 34.490 6.320 1.00 0.00 H +ATOM 18634 HW2 SOL 5687 49.990 33.470 5.290 1.00 0.00 H +ATOM 18635 OW SOL 5688 4.070 50.810 38.690 1.00 0.00 O +ATOM 18636 HW1 SOL 5688 3.390 50.900 39.350 1.00 0.00 H +ATOM 18637 HW2 SOL 5688 4.030 51.610 38.180 1.00 0.00 H +ATOM 18638 OW SOL 5689 38.330 43.290 46.070 1.00 0.00 O +ATOM 18639 HW1 SOL 5689 39.070 42.750 45.780 1.00 0.00 H +ATOM 18640 HW2 SOL 5689 38.600 44.190 45.860 1.00 0.00 H +ATOM 18641 OW SOL 5690 41.560 5.130 15.580 1.00 0.00 O +ATOM 18642 HW1 SOL 5690 41.560 4.230 15.920 1.00 0.00 H +ATOM 18643 HW2 SOL 5690 42.330 5.170 15.010 1.00 0.00 H +ATOM 18644 OW SOL 5691 60.140 51.750 37.830 1.00 0.00 O +ATOM 18645 HW1 SOL 5691 60.070 50.810 37.720 1.00 0.00 H +ATOM 18646 HW2 SOL 5691 59.570 52.120 37.160 1.00 0.00 H +ATOM 18647 OW SOL 5692 7.040 1.000 14.130 1.00 0.00 O +ATOM 18648 HW1 SOL 5692 7.800 1.580 14.170 1.00 0.00 H +ATOM 18649 HW2 SOL 5692 7.410 0.150 13.870 1.00 0.00 H +ATOM 18650 OW SOL 5693 50.300 30.140 6.770 1.00 0.00 O +ATOM 18651 HW1 SOL 5693 50.090 29.620 5.990 1.00 0.00 H +ATOM 18652 HW2 SOL 5693 51.250 30.070 6.860 1.00 0.00 H +ATOM 18653 OW SOL 5694 10.570 52.120 25.310 1.00 0.00 O +ATOM 18654 HW1 SOL 5694 11.220 51.830 24.670 1.00 0.00 H +ATOM 18655 HW2 SOL 5694 10.720 53.070 25.390 1.00 0.00 H +ATOM 18656 OW SOL 5695 58.040 32.000 32.080 1.00 0.00 O +ATOM 18657 HW1 SOL 5695 57.160 31.880 31.710 1.00 0.00 H +ATOM 18658 HW2 SOL 5695 58.490 31.170 31.910 1.00 0.00 H +ATOM 18659 OW SOL 5696 55.370 50.150 6.680 1.00 0.00 O +ATOM 18660 HW1 SOL 5696 55.840 49.760 5.940 1.00 0.00 H +ATOM 18661 HW2 SOL 5696 55.030 50.980 6.340 1.00 0.00 H +ATOM 18662 OW SOL 5697 44.090 25.330 48.930 1.00 0.00 O +ATOM 18663 HW1 SOL 5697 43.600 24.540 48.700 1.00 0.00 H +ATOM 18664 HW2 SOL 5697 44.560 25.560 48.140 1.00 0.00 H +ATOM 18665 OW SOL 5698 47.030 51.260 34.340 1.00 0.00 O +ATOM 18666 HW1 SOL 5698 47.160 52.180 34.550 1.00 0.00 H +ATOM 18667 HW2 SOL 5698 47.800 51.020 33.830 1.00 0.00 H +ATOM 18668 OW SOL 5699 36.320 10.120 12.500 1.00 0.00 O +ATOM 18669 HW1 SOL 5699 36.370 10.040 11.540 1.00 0.00 H +ATOM 18670 HW2 SOL 5699 36.980 10.780 12.720 1.00 0.00 H +ATOM 18671 OW SOL 5700 39.690 51.190 0.250 1.00 0.00 O +ATOM 18672 HW1 SOL 5700 40.250 51.200 -0.520 1.00 0.00 H +ATOM 18673 HW2 SOL 5700 40.300 51.060 0.980 1.00 0.00 H +ATOM 18674 OW SOL 5701 64.990 14.050 42.420 1.00 0.00 O +ATOM 18675 HW1 SOL 5701 65.360 14.090 43.300 1.00 0.00 H +ATOM 18676 HW2 SOL 5701 64.690 13.150 42.320 1.00 0.00 H +ATOM 18677 OW SOL 5702 18.220 18.220 17.030 1.00 0.00 O +ATOM 18678 HW1 SOL 5702 18.930 17.910 16.470 1.00 0.00 H +ATOM 18679 HW2 SOL 5702 18.310 17.710 17.840 1.00 0.00 H +ATOM 18680 OW SOL 5703 64.980 47.000 1.500 1.00 0.00 O +ATOM 18681 HW1 SOL 5703 64.320 46.530 2.020 1.00 0.00 H +ATOM 18682 HW2 SOL 5703 64.510 47.760 1.150 1.00 0.00 H +ATOM 18683 OW SOL 5704 10.780 11.000 50.120 1.00 0.00 O +ATOM 18684 HW1 SOL 5704 10.650 11.760 49.550 1.00 0.00 H +ATOM 18685 HW2 SOL 5704 10.680 10.250 49.540 1.00 0.00 H +ATOM 18686 OW SOL 5705 36.020 43.790 50.190 1.00 0.00 O +ATOM 18687 HW1 SOL 5705 35.470 43.740 50.970 1.00 0.00 H +ATOM 18688 HW2 SOL 5705 36.570 44.550 50.340 1.00 0.00 H +ATOM 18689 OW SOL 5706 63.450 47.150 30.580 1.00 0.00 O +ATOM 18690 HW1 SOL 5706 63.440 47.940 31.130 1.00 0.00 H +ATOM 18691 HW2 SOL 5706 62.650 46.680 30.830 1.00 0.00 H +ATOM 18692 OW SOL 5707 7.320 25.410 48.150 1.00 0.00 O +ATOM 18693 HW1 SOL 5707 7.970 25.090 47.520 1.00 0.00 H +ATOM 18694 HW2 SOL 5707 6.490 25.050 47.850 1.00 0.00 H +ATOM 18695 OW SOL 5708 40.880 19.890 25.810 1.00 0.00 O +ATOM 18696 HW1 SOL 5708 40.320 20.180 26.530 1.00 0.00 H +ATOM 18697 HW2 SOL 5708 41.610 20.520 25.810 1.00 0.00 H +ATOM 18698 OW SOL 5709 14.280 52.450 39.500 1.00 0.00 O +ATOM 18699 HW1 SOL 5709 14.360 51.500 39.600 1.00 0.00 H +ATOM 18700 HW2 SOL 5709 14.600 52.620 38.620 1.00 0.00 H +ATOM 18701 OW SOL 5710 40.340 5.380 9.470 1.00 0.00 O +ATOM 18702 HW1 SOL 5710 40.670 5.240 10.360 1.00 0.00 H +ATOM 18703 HW2 SOL 5710 39.520 5.860 9.600 1.00 0.00 H +ATOM 18704 OW SOL 5711 59.660 55.870 24.450 1.00 0.00 O +ATOM 18705 HW1 SOL 5711 59.970 56.220 25.290 1.00 0.00 H +ATOM 18706 HW2 SOL 5711 59.330 56.630 23.970 1.00 0.00 H +ATOM 18707 OW SOL 5712 9.100 3.580 49.250 1.00 0.00 O +ATOM 18708 HW1 SOL 5712 9.210 4.520 49.380 1.00 0.00 H +ATOM 18709 HW2 SOL 5712 8.330 3.500 48.690 1.00 0.00 H +ATOM 18710 OW SOL 5713 53.100 17.660 37.420 1.00 0.00 O +ATOM 18711 HW1 SOL 5713 52.820 18.400 37.960 1.00 0.00 H +ATOM 18712 HW2 SOL 5713 52.450 17.620 36.720 1.00 0.00 H +ATOM 18713 OW SOL 5714 54.570 41.480 20.930 1.00 0.00 O +ATOM 18714 HW1 SOL 5714 54.280 42.390 20.840 1.00 0.00 H +ATOM 18715 HW2 SOL 5714 55.490 41.490 20.660 1.00 0.00 H +ATOM 18716 OW SOL 5715 47.850 6.430 7.600 1.00 0.00 O +ATOM 18717 HW1 SOL 5715 47.040 6.670 8.060 1.00 0.00 H +ATOM 18718 HW2 SOL 5715 47.640 5.600 7.170 1.00 0.00 H +ATOM 18719 OW SOL 5716 30.820 45.320 7.930 1.00 0.00 O +ATOM 18720 HW1 SOL 5716 31.340 45.470 8.720 1.00 0.00 H +ATOM 18721 HW2 SOL 5716 30.000 44.940 8.260 1.00 0.00 H +ATOM 18722 OW SOL 5717 9.170 0.550 4.360 1.00 0.00 O +ATOM 18723 HW1 SOL 5717 9.360 -0.050 3.640 1.00 0.00 H +ATOM 18724 HW2 SOL 5717 9.730 0.250 5.080 1.00 0.00 H +ATOM 18725 OW SOL 5718 26.580 5.720 15.640 1.00 0.00 O +ATOM 18726 HW1 SOL 5718 27.150 6.470 15.850 1.00 0.00 H +ATOM 18727 HW2 SOL 5718 26.950 5.350 14.840 1.00 0.00 H +ATOM 18728 OW SOL 5719 42.040 58.810 30.050 1.00 0.00 O +ATOM 18729 HW1 SOL 5719 41.390 59.460 30.300 1.00 0.00 H +ATOM 18730 HW2 SOL 5719 42.690 59.290 29.540 1.00 0.00 H +ATOM 18731 OW SOL 5720 37.960 15.730 28.970 1.00 0.00 O +ATOM 18732 HW1 SOL 5720 37.030 15.980 28.990 1.00 0.00 H +ATOM 18733 HW2 SOL 5720 38.360 16.260 29.660 1.00 0.00 H +ATOM 18734 OW SOL 5721 35.060 44.950 6.840 1.00 0.00 O +ATOM 18735 HW1 SOL 5721 34.390 45.010 6.160 1.00 0.00 H +ATOM 18736 HW2 SOL 5721 35.430 44.070 6.740 1.00 0.00 H +ATOM 18737 OW SOL 5722 11.520 17.660 37.720 1.00 0.00 O +ATOM 18738 HW1 SOL 5722 11.920 17.990 38.520 1.00 0.00 H +ATOM 18739 HW2 SOL 5722 10.700 18.140 37.640 1.00 0.00 H +ATOM 18740 OW SOL 5723 5.230 8.490 46.520 1.00 0.00 O +ATOM 18741 HW1 SOL 5723 5.540 8.660 47.410 1.00 0.00 H +ATOM 18742 HW2 SOL 5723 4.280 8.530 46.590 1.00 0.00 H +ATOM 18743 OW SOL 5724 21.060 11.190 37.030 1.00 0.00 O +ATOM 18744 HW1 SOL 5724 21.480 11.780 36.400 1.00 0.00 H +ATOM 18745 HW2 SOL 5724 20.130 11.300 36.870 1.00 0.00 H +ATOM 18746 OW SOL 5725 5.940 13.940 31.460 1.00 0.00 O +ATOM 18747 HW1 SOL 5725 5.960 13.230 32.100 1.00 0.00 H +ATOM 18748 HW2 SOL 5725 5.090 13.850 31.030 1.00 0.00 H +ATOM 18749 OW SOL 5726 21.000 41.560 13.680 1.00 0.00 O +ATOM 18750 HW1 SOL 5726 21.090 41.350 12.750 1.00 0.00 H +ATOM 18751 HW2 SOL 5726 21.310 40.780 14.140 1.00 0.00 H +ATOM 18752 OW SOL 5727 24.790 37.670 6.800 1.00 0.00 O +ATOM 18753 HW1 SOL 5727 24.220 37.110 7.320 1.00 0.00 H +ATOM 18754 HW2 SOL 5727 24.250 38.430 6.590 1.00 0.00 H +ATOM 18755 OW SOL 5728 46.910 53.700 13.570 1.00 0.00 O +ATOM 18756 HW1 SOL 5728 46.260 53.230 13.040 1.00 0.00 H +ATOM 18757 HW2 SOL 5728 46.510 54.560 13.730 1.00 0.00 H +ATOM 18758 OW SOL 5729 48.140 16.020 12.760 1.00 0.00 O +ATOM 18759 HW1 SOL 5729 48.700 16.420 12.100 1.00 0.00 H +ATOM 18760 HW2 SOL 5729 48.330 16.510 13.560 1.00 0.00 H +ATOM 18761 OW SOL 5730 20.890 54.140 45.640 1.00 0.00 O +ATOM 18762 HW1 SOL 5730 20.110 54.690 45.620 1.00 0.00 H +ATOM 18763 HW2 SOL 5730 21.540 54.660 46.120 1.00 0.00 H +ATOM 18764 OW SOL 5731 34.300 19.210 3.290 1.00 0.00 O +ATOM 18765 HW1 SOL 5731 33.720 19.490 4.010 1.00 0.00 H +ATOM 18766 HW2 SOL 5731 34.520 18.300 3.500 1.00 0.00 H +ATOM 18767 OW SOL 5732 64.700 49.810 39.490 1.00 0.00 O +ATOM 18768 HW1 SOL 5732 63.950 50.300 39.820 1.00 0.00 H +ATOM 18769 HW2 SOL 5732 65.400 49.980 40.120 1.00 0.00 H +ATOM 18770 OW SOL 5733 42.350 6.920 8.560 1.00 0.00 O +ATOM 18771 HW1 SOL 5733 42.190 7.490 7.810 1.00 0.00 H +ATOM 18772 HW2 SOL 5733 41.500 6.540 8.760 1.00 0.00 H +ATOM 18773 OW SOL 5734 14.290 33.300 31.320 1.00 0.00 O +ATOM 18774 HW1 SOL 5734 13.810 32.930 30.580 1.00 0.00 H +ATOM 18775 HW2 SOL 5734 14.580 34.160 31.010 1.00 0.00 H +ATOM 18776 OW SOL 5735 1.450 40.580 4.270 1.00 0.00 O +ATOM 18777 HW1 SOL 5735 1.970 40.580 5.070 1.00 0.00 H +ATOM 18778 HW2 SOL 5735 1.200 39.670 4.130 1.00 0.00 H +ATOM 18779 OW SOL 5736 35.940 11.810 29.260 1.00 0.00 O +ATOM 18780 HW1 SOL 5736 36.310 11.210 28.610 1.00 0.00 H +ATOM 18781 HW2 SOL 5736 36.350 11.560 30.090 1.00 0.00 H +ATOM 18782 OW SOL 5737 55.270 16.260 26.280 1.00 0.00 O +ATOM 18783 HW1 SOL 5737 54.370 16.500 26.030 1.00 0.00 H +ATOM 18784 HW2 SOL 5737 55.820 16.690 25.620 1.00 0.00 H +ATOM 18785 OW SOL 5738 24.970 25.440 18.390 1.00 0.00 O +ATOM 18786 HW1 SOL 5738 24.120 25.030 18.570 1.00 0.00 H +ATOM 18787 HW2 SOL 5738 24.820 25.940 17.580 1.00 0.00 H +ATOM 18788 OW SOL 5739 62.190 24.540 0.640 1.00 0.00 O +ATOM 18789 HW1 SOL 5739 62.650 24.470 1.470 1.00 0.00 H +ATOM 18790 HW2 SOL 5739 62.880 24.580 -0.020 1.00 0.00 H +ATOM 18791 OW SOL 5740 1.690 22.480 7.210 1.00 0.00 O +ATOM 18792 HW1 SOL 5740 1.610 23.380 6.920 1.00 0.00 H +ATOM 18793 HW2 SOL 5740 0.790 22.190 7.370 1.00 0.00 H +ATOM 18794 OW SOL 5741 64.610 51.180 15.120 1.00 0.00 O +ATOM 18795 HW1 SOL 5741 64.720 51.610 15.970 1.00 0.00 H +ATOM 18796 HW2 SOL 5741 63.860 51.620 14.720 1.00 0.00 H +ATOM 18797 OW SOL 5742 42.530 41.610 46.850 1.00 0.00 O +ATOM 18798 HW1 SOL 5742 42.900 41.420 45.990 1.00 0.00 H +ATOM 18799 HW2 SOL 5742 42.420 42.560 46.870 1.00 0.00 H +ATOM 18800 OW SOL 5743 48.700 13.960 49.510 1.00 0.00 O +ATOM 18801 HW1 SOL 5743 48.390 14.870 49.540 1.00 0.00 H +ATOM 18802 HW2 SOL 5743 47.900 13.430 49.540 1.00 0.00 H +ATOM 18803 OW SOL 5744 52.290 46.350 5.280 1.00 0.00 O +ATOM 18804 HW1 SOL 5744 51.670 46.500 4.570 1.00 0.00 H +ATOM 18805 HW2 SOL 5744 52.060 46.990 5.950 1.00 0.00 H +ATOM 18806 OW SOL 5745 7.880 22.840 0.000 1.00 0.00 O +ATOM 18807 HW1 SOL 5745 8.200 22.080 -0.470 1.00 0.00 H +ATOM 18808 HW2 SOL 5745 7.190 22.500 0.570 1.00 0.00 H +ATOM 18809 OW SOL 5746 16.310 38.410 33.470 1.00 0.00 O +ATOM 18810 HW1 SOL 5746 16.500 38.760 32.600 1.00 0.00 H +ATOM 18811 HW2 SOL 5746 16.640 37.510 33.450 1.00 0.00 H +ATOM 18812 OW SOL 5747 8.270 15.210 37.880 1.00 0.00 O +ATOM 18813 HW1 SOL 5747 8.230 15.920 38.520 1.00 0.00 H +ATOM 18814 HW2 SOL 5747 7.530 15.370 37.300 1.00 0.00 H +ATOM 18815 OW SOL 5748 44.290 28.480 53.360 1.00 0.00 O +ATOM 18816 HW1 SOL 5748 44.810 27.730 53.080 1.00 0.00 H +ATOM 18817 HW2 SOL 5748 43.910 28.220 54.190 1.00 0.00 H +ATOM 18818 OW SOL 5749 33.870 29.620 0.490 1.00 0.00 O +ATOM 18819 HW1 SOL 5749 34.690 29.810 0.050 1.00 0.00 H +ATOM 18820 HW2 SOL 5749 33.960 28.730 0.810 1.00 0.00 H +ATOM 18821 OW SOL 5750 65.540 47.680 27.800 1.00 0.00 O +ATOM 18822 HW1 SOL 5750 64.660 48.010 27.580 1.00 0.00 H +ATOM 18823 HW2 SOL 5750 65.380 46.830 28.200 1.00 0.00 H +ATOM 18824 OW SOL 5751 58.110 32.410 8.260 1.00 0.00 O +ATOM 18825 HW1 SOL 5751 58.710 32.090 8.930 1.00 0.00 H +ATOM 18826 HW2 SOL 5751 57.780 33.240 8.610 1.00 0.00 H +ATOM 18827 OW SOL 5752 31.930 60.250 12.450 1.00 0.00 O +ATOM 18828 HW1 SOL 5752 31.770 59.630 11.750 1.00 0.00 H +ATOM 18829 HW2 SOL 5752 32.630 60.820 12.110 1.00 0.00 H +ATOM 18830 OW SOL 5753 38.440 46.700 9.120 1.00 0.00 O +ATOM 18831 HW1 SOL 5753 38.280 46.000 8.490 1.00 0.00 H +ATOM 18832 HW2 SOL 5753 38.460 47.500 8.590 1.00 0.00 H +ATOM 18833 OW SOL 5754 30.460 4.670 29.010 1.00 0.00 O +ATOM 18834 HW1 SOL 5754 30.120 5.380 29.550 1.00 0.00 H +ATOM 18835 HW2 SOL 5754 30.500 5.030 28.120 1.00 0.00 H +ATOM 18836 OW SOL 5755 63.320 27.520 2.090 1.00 0.00 O +ATOM 18837 HW1 SOL 5755 63.840 26.990 1.500 1.00 0.00 H +ATOM 18838 HW2 SOL 5755 63.950 27.860 2.730 1.00 0.00 H +ATOM 18839 OW SOL 5756 42.950 23.250 47.970 1.00 0.00 O +ATOM 18840 HW1 SOL 5756 43.090 23.170 47.020 1.00 0.00 H +ATOM 18841 HW2 SOL 5756 42.110 22.830 48.130 1.00 0.00 H +ATOM 18842 OW SOL 5757 54.760 45.550 15.470 1.00 0.00 O +ATOM 18843 HW1 SOL 5757 54.890 45.210 16.350 1.00 0.00 H +ATOM 18844 HW2 SOL 5757 53.800 45.610 15.370 1.00 0.00 H +ATOM 18845 OW SOL 5758 49.090 44.720 38.000 1.00 0.00 O +ATOM 18846 HW1 SOL 5758 49.930 45.080 37.710 1.00 0.00 H +ATOM 18847 HW2 SOL 5758 48.970 43.940 37.470 1.00 0.00 H +ATOM 18848 OW SOL 5759 63.690 58.170 30.150 1.00 0.00 O +ATOM 18849 HW1 SOL 5759 63.740 57.930 29.220 1.00 0.00 H +ATOM 18850 HW2 SOL 5759 64.230 57.510 30.590 1.00 0.00 H +ATOM 18851 OW SOL 5760 7.620 31.300 2.090 1.00 0.00 O +ATOM 18852 HW1 SOL 5760 7.990 31.770 2.840 1.00 0.00 H +ATOM 18853 HW2 SOL 5760 8.150 30.500 2.030 1.00 0.00 H +ATOM 18854 OW SOL 5761 62.710 30.760 4.030 1.00 0.00 O +ATOM 18855 HW1 SOL 5761 62.070 30.050 4.040 1.00 0.00 H +ATOM 18856 HW2 SOL 5761 62.260 31.480 3.580 1.00 0.00 H +ATOM 18857 OW SOL 5762 3.470 52.720 44.590 1.00 0.00 O +ATOM 18858 HW1 SOL 5762 3.610 51.880 44.150 1.00 0.00 H +ATOM 18859 HW2 SOL 5762 2.520 52.830 44.590 1.00 0.00 H +ATOM 18860 OW SOL 5763 63.660 50.680 36.970 1.00 0.00 O +ATOM 18861 HW1 SOL 5763 64.430 50.810 37.520 1.00 0.00 H +ATOM 18862 HW2 SOL 5763 63.120 50.060 37.450 1.00 0.00 H +ATOM 18863 OW SOL 5764 47.640 59.410 50.850 1.00 0.00 O +ATOM 18864 HW1 SOL 5764 47.420 58.480 50.930 1.00 0.00 H +ATOM 18865 HW2 SOL 5764 48.430 59.420 50.310 1.00 0.00 H +ATOM 18866 OW SOL 5765 6.180 25.320 6.410 1.00 0.00 O +ATOM 18867 HW1 SOL 5765 6.630 25.210 7.250 1.00 0.00 H +ATOM 18868 HW2 SOL 5765 6.790 25.830 5.880 1.00 0.00 H +ATOM 18869 OW SOL 5766 34.142 37.799 0.015 1.00 0.00 O +ATOM 18870 HW1 SOL 5766 34.072 38.529 0.625 1.00 0.00 H +ATOM 18871 HW2 SOL 5766 34.502 38.179 -0.785 1.00 0.00 H +ATOM 18872 OW SOL 5767 41.050 61.450 28.870 1.00 0.00 O +ATOM 18873 HW1 SOL 5767 40.220 60.990 28.710 1.00 0.00 H +ATOM 18874 HW2 SOL 5767 41.560 61.320 28.070 1.00 0.00 H +ATOM 18875 OW SOL 5768 30.010 55.530 53.410 1.00 0.00 O +ATOM 18876 HW1 SOL 5768 30.320 54.700 53.030 1.00 0.00 H +ATOM 18877 HW2 SOL 5768 29.190 55.710 52.970 1.00 0.00 H +ATOM 18878 OW SOL 5769 7.150 43.540 0.270 1.00 0.00 O +ATOM 18879 HW1 SOL 5769 8.030 43.670 0.630 1.00 0.00 H +ATOM 18880 HW2 SOL 5769 6.580 43.470 1.040 1.00 0.00 H +ATOM 18881 OW SOL 5770 19.110 18.520 42.130 1.00 0.00 O +ATOM 18882 HW1 SOL 5770 18.170 18.660 42.140 1.00 0.00 H +ATOM 18883 HW2 SOL 5770 19.440 19.040 42.860 1.00 0.00 H +ATOM 18884 OW SOL 5771 52.470 57.980 35.040 1.00 0.00 O +ATOM 18885 HW1 SOL 5771 52.300 57.690 34.140 1.00 0.00 H +ATOM 18886 HW2 SOL 5771 53.180 58.620 34.950 1.00 0.00 H +ATOM 18887 OW SOL 5772 24.060 52.410 6.470 1.00 0.00 O +ATOM 18888 HW1 SOL 5772 24.190 51.460 6.500 1.00 0.00 H +ATOM 18889 HW2 SOL 5772 23.700 52.570 5.600 1.00 0.00 H +ATOM 18890 OW SOL 5773 34.560 11.790 44.150 1.00 0.00 O +ATOM 18891 HW1 SOL 5773 33.600 11.820 44.060 1.00 0.00 H +ATOM 18892 HW2 SOL 5773 34.730 12.030 45.060 1.00 0.00 H +ATOM 18893 OW SOL 5774 59.040 11.330 2.190 1.00 0.00 O +ATOM 18894 HW1 SOL 5774 59.380 11.420 3.080 1.00 0.00 H +ATOM 18895 HW2 SOL 5774 59.820 11.380 1.630 1.00 0.00 H +ATOM 18896 OW SOL 5775 49.120 36.730 31.660 1.00 0.00 O +ATOM 18897 HW1 SOL 5775 48.420 36.310 31.150 1.00 0.00 H +ATOM 18898 HW2 SOL 5775 49.310 37.530 31.180 1.00 0.00 H +ATOM 18899 OW SOL 5776 16.390 18.430 13.850 1.00 0.00 O +ATOM 18900 HW1 SOL 5776 16.980 18.900 13.260 1.00 0.00 H +ATOM 18901 HW2 SOL 5776 16.970 17.860 14.350 1.00 0.00 H +ATOM 18902 OW SOL 5777 4.920 56.860 22.620 1.00 0.00 O +ATOM 18903 HW1 SOL 5777 4.930 57.820 22.660 1.00 0.00 H +ATOM 18904 HW2 SOL 5777 5.720 56.640 22.140 1.00 0.00 H +ATOM 18905 OW SOL 5778 61.360 14.120 2.960 1.00 0.00 O +ATOM 18906 HW1 SOL 5778 61.360 15.080 2.990 1.00 0.00 H +ATOM 18907 HW2 SOL 5778 61.310 13.900 2.030 1.00 0.00 H +ATOM 18908 OW SOL 5779 1.970 11.150 32.850 1.00 0.00 O +ATOM 18909 HW1 SOL 5779 2.000 10.240 33.140 1.00 0.00 H +ATOM 18910 HW2 SOL 5779 2.890 11.410 32.790 1.00 0.00 H +ATOM 18911 OW SOL 5780 16.820 58.640 33.220 1.00 0.00 O +ATOM 18912 HW1 SOL 5780 17.290 57.870 32.870 1.00 0.00 H +ATOM 18913 HW2 SOL 5780 17.250 59.390 32.810 1.00 0.00 H +ATOM 18914 OW SOL 5781 55.530 38.760 28.450 1.00 0.00 O +ATOM 18915 HW1 SOL 5781 56.320 39.200 28.130 1.00 0.00 H +ATOM 18916 HW2 SOL 5781 55.830 38.250 29.200 1.00 0.00 H +ATOM 18917 OW SOL 5782 65.585 43.660 22.760 1.00 0.00 O +ATOM 18918 HW1 SOL 5782 65.355 44.530 22.420 1.00 0.00 H +ATOM 18919 HW2 SOL 5782 66.365 43.410 22.270 1.00 0.00 H +ATOM 18920 OW SOL 5783 16.840 8.720 1.130 1.00 0.00 O +ATOM 18921 HW1 SOL 5783 15.990 8.970 0.780 1.00 0.00 H +ATOM 18922 HW2 SOL 5783 17.270 8.250 0.410 1.00 0.00 H +ATOM 18923 OW SOL 5784 12.780 31.390 29.670 1.00 0.00 O +ATOM 18924 HW1 SOL 5784 12.320 31.300 28.830 1.00 0.00 H +ATOM 18925 HW2 SOL 5784 13.410 30.670 29.670 1.00 0.00 H +ATOM 18926 OW SOL 5785 48.560 50.040 49.650 1.00 0.00 O +ATOM 18927 HW1 SOL 5785 48.390 49.670 48.790 1.00 0.00 H +ATOM 18928 HW2 SOL 5785 47.690 50.220 50.010 1.00 0.00 H +ATOM 18929 OW SOL 5786 0.480 11.620 47.850 1.00 0.00 O +ATOM 18930 HW1 SOL 5786 1.420 11.570 48.010 1.00 0.00 H +ATOM 18931 HW2 SOL 5786 0.390 11.520 46.910 1.00 0.00 H +ATOM 18932 OW SOL 5787 36.420 58.430 38.090 1.00 0.00 O +ATOM 18933 HW1 SOL 5787 36.340 59.350 38.330 1.00 0.00 H +ATOM 18934 HW2 SOL 5787 36.090 57.950 38.850 1.00 0.00 H +ATOM 18935 OW SOL 5788 61.290 34.480 46.810 1.00 0.00 O +ATOM 18936 HW1 SOL 5788 62.110 34.000 46.940 1.00 0.00 H +ATOM 18937 HW2 SOL 5788 61.510 35.150 46.160 1.00 0.00 H +ATOM 18938 OW SOL 5789 34.120 36.090 11.830 1.00 0.00 O +ATOM 18939 HW1 SOL 5789 35.010 36.070 11.490 1.00 0.00 H +ATOM 18940 HW2 SOL 5789 33.810 36.970 11.630 1.00 0.00 H +ATOM 18941 OW SOL 5790 1.900 43.710 6.300 1.00 0.00 O +ATOM 18942 HW1 SOL 5790 2.760 44.040 6.590 1.00 0.00 H +ATOM 18943 HW2 SOL 5790 2.050 42.780 6.140 1.00 0.00 H +ATOM 18944 OW SOL 5791 65.290 56.720 47.510 1.00 0.00 O +ATOM 18945 HW1 SOL 5791 64.370 56.830 47.730 1.00 0.00 H +ATOM 18946 HW2 SOL 5791 65.740 57.400 48.010 1.00 0.00 H +ATOM 18947 OW SOL 5792 4.720 29.130 20.800 1.00 0.00 O +ATOM 18948 HW1 SOL 5792 4.600 28.180 20.790 1.00 0.00 H +ATOM 18949 HW2 SOL 5792 3.840 29.480 20.900 1.00 0.00 H +ATOM 18950 OW SOL 5793 35.300 51.540 6.180 1.00 0.00 O +ATOM 18951 HW1 SOL 5793 35.350 50.930 6.920 1.00 0.00 H +ATOM 18952 HW2 SOL 5793 34.780 52.270 6.520 1.00 0.00 H +ATOM 18953 OW SOL 5794 60.320 32.710 33.590 1.00 0.00 O +ATOM 18954 HW1 SOL 5794 59.470 32.430 33.250 1.00 0.00 H +ATOM 18955 HW2 SOL 5794 60.850 32.870 32.810 1.00 0.00 H +ATOM 18956 OW SOL 5795 28.220 5.860 34.010 1.00 0.00 O +ATOM 18957 HW1 SOL 5795 28.760 6.140 34.750 1.00 0.00 H +ATOM 18958 HW2 SOL 5795 27.590 6.570 33.890 1.00 0.00 H +ATOM 18959 OW SOL 5796 13.550 7.860 32.340 1.00 0.00 O +ATOM 18960 HW1 SOL 5796 12.620 7.870 32.570 1.00 0.00 H +ATOM 18961 HW2 SOL 5796 13.830 8.760 32.470 1.00 0.00 H +ATOM 18962 OW SOL 5797 24.880 19.740 47.580 1.00 0.00 O +ATOM 18963 HW1 SOL 5797 25.530 20.310 47.180 1.00 0.00 H +ATOM 18964 HW2 SOL 5797 25.050 19.800 48.520 1.00 0.00 H +ATOM 18965 OW SOL 5798 14.600 15.560 40.500 1.00 0.00 O +ATOM 18966 HW1 SOL 5798 14.340 14.740 40.090 1.00 0.00 H +ATOM 18967 HW2 SOL 5798 15.320 15.890 39.950 1.00 0.00 H +ATOM 18968 OW SOL 5799 64.800 2.430 30.570 1.00 0.00 O +ATOM 18969 HW1 SOL 5799 64.090 1.840 30.830 1.00 0.00 H +ATOM 18970 HW2 SOL 5799 65.090 2.820 31.400 1.00 0.00 H +ATOM 18971 OW SOL 5800 29.850 36.030 45.090 1.00 0.00 O +ATOM 18972 HW1 SOL 5800 30.370 35.230 45.080 1.00 0.00 H +ATOM 18973 HW2 SOL 5800 29.180 35.870 45.750 1.00 0.00 H +ATOM 18974 OW SOL 5801 19.450 26.240 6.670 1.00 0.00 O +ATOM 18975 HW1 SOL 5801 18.820 26.410 7.360 1.00 0.00 H +ATOM 18976 HW2 SOL 5801 19.920 27.070 6.550 1.00 0.00 H +ATOM 18977 OW SOL 5802 63.880 50.640 21.030 1.00 0.00 O +ATOM 18978 HW1 SOL 5802 63.890 50.830 20.090 1.00 0.00 H +ATOM 18979 HW2 SOL 5802 64.420 49.860 21.130 1.00 0.00 H +ATOM 18980 OW SOL 5803 61.680 20.450 19.290 1.00 0.00 O +ATOM 18981 HW1 SOL 5803 61.330 20.760 20.130 1.00 0.00 H +ATOM 18982 HW2 SOL 5803 62.610 20.310 19.460 1.00 0.00 H +ATOM 18983 OW SOL 5804 6.940 58.430 7.620 1.00 0.00 O +ATOM 18984 HW1 SOL 5804 6.210 58.140 7.080 1.00 0.00 H +ATOM 18985 HW2 SOL 5804 6.830 59.380 7.680 1.00 0.00 H +ATOM 18986 OW SOL 5805 47.650 12.320 41.450 1.00 0.00 O +ATOM 18987 HW1 SOL 5805 46.850 11.830 41.230 1.00 0.00 H +ATOM 18988 HW2 SOL 5805 47.560 13.140 40.970 1.00 0.00 H +ATOM 18989 OW SOL 5806 59.040 35.350 33.040 1.00 0.00 O +ATOM 18990 HW1 SOL 5806 59.250 35.120 32.130 1.00 0.00 H +ATOM 18991 HW2 SOL 5806 59.350 36.250 33.130 1.00 0.00 H +ATOM 18992 OW SOL 5807 7.370 48.520 47.580 1.00 0.00 O +ATOM 18993 HW1 SOL 5807 7.350 48.510 46.620 1.00 0.00 H +ATOM 18994 HW2 SOL 5807 8.250 48.830 47.790 1.00 0.00 H +ATOM 18995 OW SOL 5808 18.640 29.950 17.650 1.00 0.00 O +ATOM 18996 HW1 SOL 5808 19.490 29.570 17.890 1.00 0.00 H +ATOM 18997 HW2 SOL 5808 18.840 30.520 16.910 1.00 0.00 H +ATOM 18998 OW SOL 5809 32.530 21.840 33.240 1.00 0.00 O +ATOM 18999 HW1 SOL 5809 33.110 22.010 32.490 1.00 0.00 H +ATOM 19000 HW2 SOL 5809 33.110 21.530 33.930 1.00 0.00 H +ATOM 19001 OW SOL 5810 41.870 2.390 23.350 1.00 0.00 O +ATOM 19002 HW1 SOL 5810 40.930 2.390 23.200 1.00 0.00 H +ATOM 19003 HW2 SOL 5810 41.970 2.660 24.260 1.00 0.00 H +ATOM 19004 OW SOL 5811 0.740 59.570 51.360 1.00 0.00 O +ATOM 19005 HW1 SOL 5811 0.870 58.950 52.080 1.00 0.00 H +ATOM 19006 HW2 SOL 5811 1.040 60.410 51.700 1.00 0.00 H +ATOM 19007 OW SOL 5812 25.380 50.280 8.170 1.00 0.00 O +ATOM 19008 HW1 SOL 5812 25.060 49.380 8.060 1.00 0.00 H +ATOM 19009 HW2 SOL 5812 26.270 50.260 7.840 1.00 0.00 H +ATOM 19010 OW SOL 5813 51.080 4.090 48.140 1.00 0.00 O +ATOM 19011 HW1 SOL 5813 50.550 4.610 47.530 1.00 0.00 H +ATOM 19012 HW2 SOL 5813 51.150 4.640 48.920 1.00 0.00 H +ATOM 19013 OW SOL 5814 21.740 9.680 12.970 1.00 0.00 O +ATOM 19014 HW1 SOL 5814 21.630 8.750 13.170 1.00 0.00 H +ATOM 19015 HW2 SOL 5814 21.820 9.720 12.010 1.00 0.00 H +ATOM 19016 OW SOL 5815 55.300 39.930 23.350 1.00 0.00 O +ATOM 19017 HW1 SOL 5815 55.190 40.520 22.600 1.00 0.00 H +ATOM 19018 HW2 SOL 5815 55.790 40.440 23.990 1.00 0.00 H +ATOM 19019 OW SOL 5816 2.030 54.930 8.730 1.00 0.00 O +ATOM 19020 HW1 SOL 5816 2.380 55.800 8.510 1.00 0.00 H +ATOM 19021 HW2 SOL 5816 2.190 54.400 7.950 1.00 0.00 H +ATOM 19022 OW SOL 5817 7.820 36.240 45.920 1.00 0.00 O +ATOM 19023 HW1 SOL 5817 7.860 37.120 46.300 1.00 0.00 H +ATOM 19024 HW2 SOL 5817 8.120 36.370 45.010 1.00 0.00 H +ATOM 19025 OW SOL 5818 51.990 5.590 1.040 1.00 0.00 O +ATOM 19026 HW1 SOL 5818 51.370 6.260 1.330 1.00 0.00 H +ATOM 19027 HW2 SOL 5818 51.510 4.770 1.110 1.00 0.00 H +ATOM 19028 OW SOL 5819 42.330 7.040 49.070 1.00 0.00 O +ATOM 19029 HW1 SOL 5819 42.520 7.630 48.340 1.00 0.00 H +ATOM 19030 HW2 SOL 5819 43.150 6.590 49.240 1.00 0.00 H +ATOM 19031 OW SOL 5820 10.620 15.860 30.930 1.00 0.00 O +ATOM 19032 HW1 SOL 5820 10.640 15.710 31.870 1.00 0.00 H +ATOM 19033 HW2 SOL 5820 10.010 15.210 30.590 1.00 0.00 H +ATOM 19034 OW SOL 5821 15.860 52.120 32.940 1.00 0.00 O +ATOM 19035 HW1 SOL 5821 15.820 51.600 33.740 1.00 0.00 H +ATOM 19036 HW2 SOL 5821 15.290 51.670 32.320 1.00 0.00 H +ATOM 19037 OW SOL 5822 57.630 41.770 20.130 1.00 0.00 O +ATOM 19038 HW1 SOL 5822 57.390 40.900 19.820 1.00 0.00 H +ATOM 19039 HW2 SOL 5822 58.470 41.650 20.570 1.00 0.00 H +ATOM 19040 OW SOL 5823 35.770 5.920 19.750 1.00 0.00 O +ATOM 19041 HW1 SOL 5823 35.840 5.930 20.700 1.00 0.00 H +ATOM 19042 HW2 SOL 5823 36.180 6.730 19.460 1.00 0.00 H +ATOM 19043 OW SOL 5824 3.100 11.180 15.440 1.00 0.00 O +ATOM 19044 HW1 SOL 5824 2.190 11.040 15.710 1.00 0.00 H +ATOM 19045 HW2 SOL 5824 3.580 11.260 16.270 1.00 0.00 H +ATOM 19046 OW SOL 5825 10.630 29.610 47.420 1.00 0.00 O +ATOM 19047 HW1 SOL 5825 11.540 29.320 47.520 1.00 0.00 H +ATOM 19048 HW2 SOL 5825 10.180 29.300 48.200 1.00 0.00 H +ATOM 19049 OW SOL 5826 9.770 51.750 40.170 1.00 0.00 O +ATOM 19050 HW1 SOL 5826 10.500 52.200 40.600 1.00 0.00 H +ATOM 19051 HW2 SOL 5826 9.150 52.450 39.960 1.00 0.00 H +ATOM 19052 OW SOL 5827 30.050 4.740 8.890 1.00 0.00 O +ATOM 19053 HW1 SOL 5827 30.860 4.670 8.390 1.00 0.00 H +ATOM 19054 HW2 SOL 5827 29.870 5.670 8.940 1.00 0.00 H +ATOM 19055 OW SOL 5828 11.540 51.040 6.740 1.00 0.00 O +ATOM 19056 HW1 SOL 5828 11.660 50.580 7.570 1.00 0.00 H +ATOM 19057 HW2 SOL 5828 10.810 51.630 6.900 1.00 0.00 H +ATOM 19058 OW SOL 5829 8.740 52.560 1.660 1.00 0.00 O +ATOM 19059 HW1 SOL 5829 8.730 52.900 0.770 1.00 0.00 H +ATOM 19060 HW2 SOL 5829 9.510 52.950 2.060 1.00 0.00 H +ATOM 19061 OW SOL 5830 64.990 40.530 27.530 1.00 0.00 O +ATOM 19062 HW1 SOL 5830 64.770 40.120 26.690 1.00 0.00 H +ATOM 19063 HW2 SOL 5830 65.880 40.850 27.420 1.00 0.00 H +ATOM 19064 OW SOL 5831 42.130 16.550 49.780 1.00 0.00 O +ATOM 19065 HW1 SOL 5831 41.830 16.550 48.870 1.00 0.00 H +ATOM 19066 HW2 SOL 5831 43.090 16.520 49.700 1.00 0.00 H +ATOM 19067 OW SOL 5832 46.790 19.300 19.890 1.00 0.00 O +ATOM 19068 HW1 SOL 5832 45.990 19.690 19.550 1.00 0.00 H +ATOM 19069 HW2 SOL 5832 46.700 19.360 20.840 1.00 0.00 H +ATOM 19070 OW SOL 5833 49.440 20.770 27.790 1.00 0.00 O +ATOM 19071 HW1 SOL 5833 49.460 21.130 28.670 1.00 0.00 H +ATOM 19072 HW2 SOL 5833 48.520 20.800 27.530 1.00 0.00 H +ATOM 19073 OW SOL 5834 51.600 48.340 49.860 1.00 0.00 O +ATOM 19074 HW1 SOL 5834 51.150 48.410 50.700 1.00 0.00 H +ATOM 19075 HW2 SOL 5834 52.520 48.200 50.090 1.00 0.00 H +ATOM 19076 OW SOL 5835 16.470 58.780 38.340 1.00 0.00 O +ATOM 19077 HW1 SOL 5835 17.070 59.350 38.820 1.00 0.00 H +ATOM 19078 HW2 SOL 5835 16.740 58.860 37.430 1.00 0.00 H +ATOM 19079 OW SOL 5836 10.020 5.860 47.950 1.00 0.00 O +ATOM 19080 HW1 SOL 5836 10.890 6.210 47.750 1.00 0.00 H +ATOM 19081 HW2 SOL 5836 9.760 5.400 47.150 1.00 0.00 H +ATOM 19082 OW SOL 5837 7.600 12.800 8.600 1.00 0.00 O +ATOM 19083 HW1 SOL 5837 8.100 13.510 8.210 1.00 0.00 H +ATOM 19084 HW2 SOL 5837 8.200 12.050 8.600 1.00 0.00 H +ATOM 19085 OW SOL 5838 21.920 4.070 14.350 1.00 0.00 O +ATOM 19086 HW1 SOL 5838 22.400 4.240 13.540 1.00 0.00 H +ATOM 19087 HW2 SOL 5838 22.310 3.270 14.700 1.00 0.00 H +ATOM 19088 OW SOL 5839 27.620 30.400 31.960 1.00 0.00 O +ATOM 19089 HW1 SOL 5839 27.600 29.500 31.610 1.00 0.00 H +ATOM 19090 HW2 SOL 5839 26.710 30.690 31.910 1.00 0.00 H +ATOM 19091 OW SOL 5840 18.950 50.150 45.030 1.00 0.00 O +ATOM 19092 HW1 SOL 5840 19.290 50.200 45.920 1.00 0.00 H +ATOM 19093 HW2 SOL 5840 19.680 50.450 44.480 1.00 0.00 H +ATOM 19094 OW SOL 5841 8.790 10.390 20.900 1.00 0.00 O +ATOM 19095 HW1 SOL 5841 9.270 10.550 21.720 1.00 0.00 H +ATOM 19096 HW2 SOL 5841 7.960 10.850 21.010 1.00 0.00 H +ATOM 19097 OW SOL 5842 19.870 9.530 32.500 1.00 0.00 O +ATOM 19098 HW1 SOL 5842 19.840 9.000 31.700 1.00 0.00 H +ATOM 19099 HW2 SOL 5842 20.430 9.030 33.100 1.00 0.00 H +ATOM 19100 OW SOL 5843 57.460 24.160 14.850 1.00 0.00 O +ATOM 19101 HW1 SOL 5843 57.020 23.370 14.530 1.00 0.00 H +ATOM 19102 HW2 SOL 5843 57.230 24.840 14.220 1.00 0.00 H +ATOM 19103 OW SOL 5844 51.350 32.160 17.160 1.00 0.00 O +ATOM 19104 HW1 SOL 5844 50.530 32.620 17.340 1.00 0.00 H +ATOM 19105 HW2 SOL 5844 51.940 32.840 16.840 1.00 0.00 H +ATOM 19106 OW SOL 5845 9.630 21.170 42.780 1.00 0.00 O +ATOM 19107 HW1 SOL 5845 9.810 20.980 43.700 1.00 0.00 H +ATOM 19108 HW2 SOL 5845 10.290 21.820 42.540 1.00 0.00 H +ATOM 19109 OW SOL 5846 45.730 57.910 1.100 1.00 0.00 O +ATOM 19110 HW1 SOL 5846 46.390 58.600 1.120 1.00 0.00 H +ATOM 19111 HW2 SOL 5846 45.650 57.620 2.010 1.00 0.00 H +ATOM 19112 OW SOL 5847 57.220 9.410 0.530 1.00 0.00 O +ATOM 19113 HW1 SOL 5847 57.770 9.940 1.110 1.00 0.00 H +ATOM 19114 HW2 SOL 5847 57.130 8.570 0.980 1.00 0.00 H +ATOM 19115 OW SOL 5848 39.310 12.960 33.970 1.00 0.00 O +ATOM 19116 HW1 SOL 5848 39.670 12.290 34.550 1.00 0.00 H +ATOM 19117 HW2 SOL 5848 38.370 12.950 34.140 1.00 0.00 H +ATOM 19118 OW SOL 5849 46.880 34.980 42.070 1.00 0.00 O +ATOM 19119 HW1 SOL 5849 47.480 34.230 42.060 1.00 0.00 H +ATOM 19120 HW2 SOL 5849 46.020 34.600 41.880 1.00 0.00 H +ATOM 19121 OW SOL 5850 50.010 33.670 23.040 1.00 0.00 O +ATOM 19122 HW1 SOL 5850 50.640 33.580 22.320 1.00 0.00 H +ATOM 19123 HW2 SOL 5850 49.520 34.460 22.830 1.00 0.00 H +ATOM 19124 OW SOL 5851 61.820 29.910 32.610 1.00 0.00 O +ATOM 19125 HW1 SOL 5851 62.260 30.380 33.320 1.00 0.00 H +ATOM 19126 HW2 SOL 5851 61.090 29.460 33.040 1.00 0.00 H +ATOM 19127 OW SOL 5852 65.230 24.150 44.020 1.00 0.00 O +ATOM 19128 HW1 SOL 5852 65.330 23.210 43.860 1.00 0.00 H +ATOM 19129 HW2 SOL 5852 65.620 24.280 44.880 1.00 0.00 H +ATOM 19130 OW SOL 5853 16.250 5.610 7.140 1.00 0.00 O +ATOM 19131 HW1 SOL 5853 15.610 5.720 6.430 1.00 0.00 H +ATOM 19132 HW2 SOL 5853 15.930 4.860 7.640 1.00 0.00 H +ATOM 19133 OW SOL 5854 3.000 53.910 21.440 1.00 0.00 O +ATOM 19134 HW1 SOL 5854 3.080 53.750 22.380 1.00 0.00 H +ATOM 19135 HW2 SOL 5854 3.910 53.900 21.120 1.00 0.00 H +ATOM 19136 OW SOL 5855 8.480 30.780 52.670 1.00 0.00 O +ATOM 19137 HW1 SOL 5855 9.080 30.840 51.930 1.00 0.00 H +ATOM 19138 HW2 SOL 5855 8.550 31.630 53.100 1.00 0.00 H +ATOM 19139 OW SOL 5856 7.740 37.630 48.300 1.00 0.00 O +ATOM 19140 HW1 SOL 5856 8.140 37.090 48.980 1.00 0.00 H +ATOM 19141 HW2 SOL 5856 8.080 38.510 48.460 1.00 0.00 H +ATOM 19142 OW SOL 5857 59.880 47.960 29.200 1.00 0.00 O +ATOM 19143 HW1 SOL 5857 59.250 48.570 29.590 1.00 0.00 H +ATOM 19144 HW2 SOL 5857 59.640 47.910 28.280 1.00 0.00 H +ATOM 19145 OW SOL 5858 0.500 38.220 3.970 1.00 0.00 O +ATOM 19146 HW1 SOL 5858 -0.450 38.220 4.040 1.00 0.00 H +ATOM 19147 HW2 SOL 5858 0.710 37.410 3.500 1.00 0.00 H +ATOM 19148 OW SOL 5859 23.000 45.360 44.060 1.00 0.00 O +ATOM 19149 HW1 SOL 5859 22.740 44.760 44.750 1.00 0.00 H +ATOM 19150 HW2 SOL 5859 22.590 46.190 44.300 1.00 0.00 H +ATOM 19151 OW SOL 5860 2.210 7.890 7.570 1.00 0.00 O +ATOM 19152 HW1 SOL 5860 1.310 7.760 7.870 1.00 0.00 H +ATOM 19153 HW2 SOL 5860 2.120 8.270 6.690 1.00 0.00 H +ATOM 19154 OW SOL 5861 32.920 8.660 22.760 1.00 0.00 O +ATOM 19155 HW1 SOL 5861 33.180 8.860 23.660 1.00 0.00 H +ATOM 19156 HW2 SOL 5861 33.610 9.060 22.220 1.00 0.00 H +ATOM 19157 OW SOL 5862 65.060 35.560 12.290 1.00 0.00 O +ATOM 19158 HW1 SOL 5862 64.660 36.390 12.560 1.00 0.00 H +ATOM 19159 HW2 SOL 5862 64.620 34.900 12.810 1.00 0.00 H +ATOM 19160 OW SOL 5863 65.320 13.590 26.780 1.00 0.00 O +ATOM 19161 HW1 SOL 5863 64.580 13.920 26.280 1.00 0.00 H +ATOM 19162 HW2 SOL 5863 65.800 13.040 26.160 1.00 0.00 H +ATOM 19163 OW SOL 5864 61.650 21.570 29.840 1.00 0.00 O +ATOM 19164 HW1 SOL 5864 61.400 20.700 30.150 1.00 0.00 H +ATOM 19165 HW2 SOL 5864 62.370 21.410 29.240 1.00 0.00 H +ATOM 19166 OW SOL 5865 35.740 21.030 7.430 1.00 0.00 O +ATOM 19167 HW1 SOL 5865 36.630 20.690 7.510 1.00 0.00 H +ATOM 19168 HW2 SOL 5865 35.210 20.270 7.180 1.00 0.00 H +ATOM 19169 OW SOL 5866 57.520 0.870 11.450 1.00 0.00 O +ATOM 19170 HW1 SOL 5866 56.890 0.640 12.130 1.00 0.00 H +ATOM 19171 HW2 SOL 5866 58.310 0.380 11.670 1.00 0.00 H +ATOM 19172 OW SOL 5867 0.340 26.820 8.540 1.00 0.00 O +ATOM 19173 HW1 SOL 5867 0.420 27.680 8.130 1.00 0.00 H +ATOM 19174 HW2 SOL 5867 0.310 26.210 7.810 1.00 0.00 H +ATOM 19175 OW SOL 5868 2.470 46.410 28.340 1.00 0.00 O +ATOM 19176 HW1 SOL 5868 2.200 45.980 29.150 1.00 0.00 H +ATOM 19177 HW2 SOL 5868 1.960 47.220 28.320 1.00 0.00 H +ATOM 19178 OW SOL 5869 59.670 40.400 4.760 1.00 0.00 O +ATOM 19179 HW1 SOL 5869 59.910 41.150 4.210 1.00 0.00 H +ATOM 19180 HW2 SOL 5869 60.490 40.140 5.190 1.00 0.00 H +ATOM 19181 OW SOL 5870 49.250 50.830 9.390 1.00 0.00 O +ATOM 19182 HW1 SOL 5870 50.090 50.390 9.240 1.00 0.00 H +ATOM 19183 HW2 SOL 5870 48.980 51.120 8.520 1.00 0.00 H +ATOM 19184 OW SOL 5871 8.510 55.090 51.350 1.00 0.00 O +ATOM 19185 HW1 SOL 5871 9.300 55.060 50.810 1.00 0.00 H +ATOM 19186 HW2 SOL 5871 8.830 55.070 52.250 1.00 0.00 H +ATOM 19187 OW SOL 5872 38.790 53.980 44.980 1.00 0.00 O +ATOM 19188 HW1 SOL 5872 38.240 54.720 45.220 1.00 0.00 H +ATOM 19189 HW2 SOL 5872 39.460 53.940 45.660 1.00 0.00 H +ATOM 19190 OW SOL 5873 2.730 56.870 37.860 1.00 0.00 O +ATOM 19191 HW1 SOL 5873 3.490 56.920 38.440 1.00 0.00 H +ATOM 19192 HW2 SOL 5873 1.970 57.000 38.440 1.00 0.00 H +ATOM 19193 OW SOL 5874 10.270 2.400 21.220 1.00 0.00 O +ATOM 19194 HW1 SOL 5874 10.430 3.250 21.630 1.00 0.00 H +ATOM 19195 HW2 SOL 5874 10.420 1.770 21.930 1.00 0.00 H +ATOM 19196 OW SOL 5875 9.790 0.850 10.880 1.00 0.00 O +ATOM 19197 HW1 SOL 5875 8.890 0.630 10.640 1.00 0.00 H +ATOM 19198 HW2 SOL 5875 10.320 0.180 10.460 1.00 0.00 H +ATOM 19199 OW SOL 5876 50.170 39.520 30.630 1.00 0.00 O +ATOM 19200 HW1 SOL 5876 51.060 39.190 30.490 1.00 0.00 H +ATOM 19201 HW2 SOL 5876 50.220 39.960 31.480 1.00 0.00 H +ATOM 19202 OW SOL 5877 39.130 55.870 8.750 1.00 0.00 O +ATOM 19203 HW1 SOL 5877 39.530 55.710 7.900 1.00 0.00 H +ATOM 19204 HW2 SOL 5877 39.740 56.450 9.210 1.00 0.00 H +ATOM 19205 OW SOL 5878 52.370 42.390 33.930 1.00 0.00 O +ATOM 19206 HW1 SOL 5878 52.610 42.750 33.080 1.00 0.00 H +ATOM 19207 HW2 SOL 5878 51.780 41.660 33.720 1.00 0.00 H +ATOM 19208 OW SOL 5879 35.960 33.810 20.570 1.00 0.00 O +ATOM 19209 HW1 SOL 5879 35.760 34.080 19.680 1.00 0.00 H +ATOM 19210 HW2 SOL 5879 36.530 34.500 20.910 1.00 0.00 H +ATOM 19211 OW SOL 5880 53.200 34.740 40.470 1.00 0.00 O +ATOM 19212 HW1 SOL 5880 53.970 35.030 39.980 1.00 0.00 H +ATOM 19213 HW2 SOL 5880 52.680 35.530 40.580 1.00 0.00 H +ATOM 19214 OW SOL 5881 36.340 24.490 43.090 1.00 0.00 O +ATOM 19215 HW1 SOL 5881 36.480 24.350 42.150 1.00 0.00 H +ATOM 19216 HW2 SOL 5881 36.990 25.150 43.330 1.00 0.00 H +ATOM 19217 OW SOL 5882 44.290 18.280 6.090 1.00 0.00 O +ATOM 19218 HW1 SOL 5882 44.680 17.410 6.170 1.00 0.00 H +ATOM 19219 HW2 SOL 5882 44.980 18.830 5.730 1.00 0.00 H +ATOM 19220 OW SOL 5883 34.630 21.700 42.310 1.00 0.00 O +ATOM 19221 HW1 SOL 5883 34.890 22.610 42.170 1.00 0.00 H +ATOM 19222 HW2 SOL 5883 33.670 21.710 42.240 1.00 0.00 H +ATOM 19223 OW SOL 5884 46.880 29.580 32.460 1.00 0.00 O +ATOM 19224 HW1 SOL 5884 47.580 29.600 33.110 1.00 0.00 H +ATOM 19225 HW2 SOL 5884 46.330 30.340 32.690 1.00 0.00 H +ATOM 19226 OW SOL 5885 60.450 25.060 43.670 1.00 0.00 O +ATOM 19227 HW1 SOL 5885 60.110 25.800 44.170 1.00 0.00 H +ATOM 19228 HW2 SOL 5885 60.170 25.230 42.770 1.00 0.00 H +ATOM 19229 OW SOL 5886 20.160 32.020 30.910 1.00 0.00 O +ATOM 19230 HW1 SOL 5886 20.710 31.850 31.680 1.00 0.00 H +ATOM 19231 HW2 SOL 5886 19.930 32.940 30.980 1.00 0.00 H +ATOM 19232 OW SOL 5887 18.300 55.220 51.030 1.00 0.00 O +ATOM 19233 HW1 SOL 5887 17.380 55.070 51.240 1.00 0.00 H +ATOM 19234 HW2 SOL 5887 18.370 55.000 50.100 1.00 0.00 H +ATOM 19235 OW SOL 5888 20.760 37.480 49.920 1.00 0.00 O +ATOM 19236 HW1 SOL 5888 20.000 37.340 50.480 1.00 0.00 H +ATOM 19237 HW2 SOL 5888 20.940 36.620 49.540 1.00 0.00 H +ATOM 19238 OW SOL 5889 20.890 40.570 22.640 1.00 0.00 O +ATOM 19239 HW1 SOL 5889 20.980 41.360 23.170 1.00 0.00 H +ATOM 19240 HW2 SOL 5889 21.590 40.630 21.990 1.00 0.00 H +ATOM 19241 OW SOL 5890 48.450 36.450 45.480 1.00 0.00 O +ATOM 19242 HW1 SOL 5890 48.070 37.040 46.130 1.00 0.00 H +ATOM 19243 HW2 SOL 5890 48.160 36.800 44.640 1.00 0.00 H +ATOM 19244 OW SOL 5891 24.220 26.910 29.560 1.00 0.00 O +ATOM 19245 HW1 SOL 5891 24.700 27.740 29.580 1.00 0.00 H +ATOM 19246 HW2 SOL 5891 24.630 26.400 28.860 1.00 0.00 H +ATOM 19247 OW SOL 5892 39.760 37.910 16.070 1.00 0.00 O +ATOM 19248 HW1 SOL 5892 39.520 38.820 15.890 1.00 0.00 H +ATOM 19249 HW2 SOL 5892 39.650 37.470 15.230 1.00 0.00 H +ATOM 19250 OW SOL 5893 34.230 30.070 5.830 1.00 0.00 O +ATOM 19251 HW1 SOL 5893 34.380 30.560 5.020 1.00 0.00 H +ATOM 19252 HW2 SOL 5893 33.300 30.160 6.000 1.00 0.00 H +ATOM 19253 OW SOL 5894 49.410 49.220 29.570 1.00 0.00 O +ATOM 19254 HW1 SOL 5894 49.340 50.170 29.680 1.00 0.00 H +ATOM 19255 HW2 SOL 5894 50.100 48.960 30.180 1.00 0.00 H +ATOM 19256 OW SOL 5895 59.420 13.930 5.270 1.00 0.00 O +ATOM 19257 HW1 SOL 5895 60.030 13.690 4.580 1.00 0.00 H +ATOM 19258 HW2 SOL 5895 59.130 14.810 5.040 1.00 0.00 H +ATOM 19259 OW SOL 5896 15.590 12.830 39.010 1.00 0.00 O +ATOM 19260 HW1 SOL 5896 15.960 11.980 38.750 1.00 0.00 H +ATOM 19261 HW2 SOL 5896 16.250 13.470 38.770 1.00 0.00 H +ATOM 19262 OW SOL 5897 48.270 49.460 23.460 1.00 0.00 O +ATOM 19263 HW1 SOL 5897 47.520 49.830 23.920 1.00 0.00 H +ATOM 19264 HW2 SOL 5897 48.890 49.230 24.150 1.00 0.00 H +ATOM 19265 OW SOL 5898 18.310 47.590 3.450 1.00 0.00 O +ATOM 19266 HW1 SOL 5898 17.390 47.710 3.200 1.00 0.00 H +ATOM 19267 HW2 SOL 5898 18.800 47.970 2.720 1.00 0.00 H +ATOM 19268 OW SOL 5899 57.940 21.270 8.180 1.00 0.00 O +ATOM 19269 HW1 SOL 5899 58.770 21.260 7.700 1.00 0.00 H +ATOM 19270 HW2 SOL 5899 57.980 20.490 8.740 1.00 0.00 H +ATOM 19271 OW SOL 5900 39.240 60.300 24.540 1.00 0.00 O +ATOM 19272 HW1 SOL 5900 40.110 60.020 24.270 1.00 0.00 H +ATOM 19273 HW2 SOL 5900 39.030 61.010 23.920 1.00 0.00 H +ATOM 19274 OW SOL 5901 0.920 48.630 46.870 1.00 0.00 O +ATOM 19275 HW1 SOL 5901 1.690 49.210 46.820 1.00 0.00 H +ATOM 19276 HW2 SOL 5901 1.210 47.810 46.470 1.00 0.00 H +ATOM 19277 OW SOL 5902 49.610 44.020 6.440 1.00 0.00 O +ATOM 19278 HW1 SOL 5902 49.160 44.820 6.170 1.00 0.00 H +ATOM 19279 HW2 SOL 5902 50.090 43.730 5.670 1.00 0.00 H +ATOM 19280 OW SOL 5903 64.320 20.800 18.730 1.00 0.00 O +ATOM 19281 HW1 SOL 5903 64.820 20.600 17.940 1.00 0.00 H +ATOM 19282 HW2 SOL 5903 64.830 21.480 19.170 1.00 0.00 H +ATOM 19283 OW SOL 5904 62.970 39.280 37.970 1.00 0.00 O +ATOM 19284 HW1 SOL 5904 62.980 39.700 37.110 1.00 0.00 H +ATOM 19285 HW2 SOL 5904 62.040 39.070 38.120 1.00 0.00 H +ATOM 19286 OW SOL 5905 23.190 34.130 14.070 1.00 0.00 O +ATOM 19287 HW1 SOL 5905 23.510 34.660 13.340 1.00 0.00 H +ATOM 19288 HW2 SOL 5905 23.970 33.730 14.440 1.00 0.00 H +ATOM 19289 OW SOL 5906 38.620 22.770 16.080 1.00 0.00 O +ATOM 19290 HW1 SOL 5906 37.980 22.070 15.930 1.00 0.00 H +ATOM 19291 HW2 SOL 5906 38.130 23.580 15.940 1.00 0.00 H +ATOM 19292 OW SOL 5907 8.440 6.020 31.310 1.00 0.00 O +ATOM 19293 HW1 SOL 5907 9.150 6.380 30.780 1.00 0.00 H +ATOM 19294 HW2 SOL 5907 8.140 6.750 31.840 1.00 0.00 H +ATOM 19295 OW SOL 5908 33.350 44.790 4.570 1.00 0.00 O +ATOM 19296 HW1 SOL 5908 32.970 43.930 4.760 1.00 0.00 H +ATOM 19297 HW2 SOL 5908 32.790 45.150 3.870 1.00 0.00 H +ATOM 19298 OW SOL 5909 6.270 11.510 47.350 1.00 0.00 O +ATOM 19299 HW1 SOL 5909 7.170 11.450 47.010 1.00 0.00 H +ATOM 19300 HW2 SOL 5909 6.260 10.920 48.100 1.00 0.00 H +ATOM 19301 OW SOL 5910 5.590 56.970 42.400 1.00 0.00 O +ATOM 19302 HW1 SOL 5910 5.900 57.850 42.160 1.00 0.00 H +ATOM 19303 HW2 SOL 5910 6.350 56.400 42.270 1.00 0.00 H +ATOM 19304 OW SOL 5911 0.270 41.380 48.670 1.00 0.00 O +ATOM 19305 HW1 SOL 5911 0.640 41.230 49.540 1.00 0.00 H +ATOM 19306 HW2 SOL 5911 -0.470 40.780 48.620 1.00 0.00 H +ATOM 19307 OW SOL 5912 60.220 16.300 15.830 1.00 0.00 O +ATOM 19308 HW1 SOL 5912 60.880 16.510 15.170 1.00 0.00 H +ATOM 19309 HW2 SOL 5912 60.720 16.240 16.650 1.00 0.00 H +ATOM 19310 OW SOL 5913 59.560 60.200 31.350 1.00 0.00 O +ATOM 19311 HW1 SOL 5913 59.700 59.540 32.020 1.00 0.00 H +ATOM 19312 HW2 SOL 5913 60.440 60.510 31.130 1.00 0.00 H +ATOM 19313 OW SOL 5914 61.590 48.400 22.800 1.00 0.00 O +ATOM 19314 HW1 SOL 5914 62.050 48.940 23.440 1.00 0.00 H +ATOM 19315 HW2 SOL 5914 60.840 48.930 22.540 1.00 0.00 H +ATOM 19316 OW SOL 5915 2.520 37.710 45.930 1.00 0.00 O +ATOM 19317 HW1 SOL 5915 1.880 37.770 46.640 1.00 0.00 H +ATOM 19318 HW2 SOL 5915 2.090 38.140 45.190 1.00 0.00 H +ATOM 19319 OW SOL 5916 25.220 19.350 35.390 1.00 0.00 O +ATOM 19320 HW1 SOL 5916 24.990 18.430 35.470 1.00 0.00 H +ATOM 19321 HW2 SOL 5916 25.690 19.410 34.560 1.00 0.00 H +ATOM 19322 OW SOL 5917 22.820 2.930 21.400 1.00 0.00 O +ATOM 19323 HW1 SOL 5917 23.050 2.450 20.600 1.00 0.00 H +ATOM 19324 HW2 SOL 5917 22.180 2.370 21.840 1.00 0.00 H +ATOM 19325 OW SOL 5918 47.270 14.140 31.100 1.00 0.00 O +ATOM 19326 HW1 SOL 5918 47.360 14.750 31.830 1.00 0.00 H +ATOM 19327 HW2 SOL 5918 48.150 14.080 30.730 1.00 0.00 H +ATOM 19328 OW SOL 5919 42.570 13.050 15.150 1.00 0.00 O +ATOM 19329 HW1 SOL 5919 41.840 13.090 14.530 1.00 0.00 H +ATOM 19330 HW2 SOL 5919 43.170 12.410 14.770 1.00 0.00 H +ATOM 19331 OW SOL 5920 35.960 38.210 48.060 1.00 0.00 O +ATOM 19332 HW1 SOL 5920 35.050 38.520 48.140 1.00 0.00 H +ATOM 19333 HW2 SOL 5920 35.880 37.310 47.770 1.00 0.00 H +ATOM 19334 OW SOL 5921 57.190 13.460 20.900 1.00 0.00 O +ATOM 19335 HW1 SOL 5921 56.240 13.440 20.820 1.00 0.00 H +ATOM 19336 HW2 SOL 5921 57.460 12.550 20.740 1.00 0.00 H +ATOM 19337 OW SOL 5922 26.860 7.220 4.740 1.00 0.00 O +ATOM 19338 HW1 SOL 5922 26.720 6.370 4.310 1.00 0.00 H +ATOM 19339 HW2 SOL 5922 27.420 7.020 5.490 1.00 0.00 H +ATOM 19340 OW SOL 5923 18.020 18.860 3.480 1.00 0.00 O +ATOM 19341 HW1 SOL 5923 18.510 18.100 3.770 1.00 0.00 H +ATOM 19342 HW2 SOL 5923 18.160 18.890 2.530 1.00 0.00 H +ATOM 19343 OW SOL 5924 33.930 13.640 38.970 1.00 0.00 O +ATOM 19344 HW1 SOL 5924 34.110 13.710 38.030 1.00 0.00 H +ATOM 19345 HW2 SOL 5924 33.320 12.910 39.040 1.00 0.00 H +ATOM 19346 OW SOL 5925 1.870 24.500 9.450 1.00 0.00 O +ATOM 19347 HW1 SOL 5925 1.460 25.330 9.240 1.00 0.00 H +ATOM 19348 HW2 SOL 5925 1.190 23.850 9.280 1.00 0.00 H +ATOM 19349 OW SOL 5926 64.310 36.040 18.040 1.00 0.00 O +ATOM 19350 HW1 SOL 5926 64.970 35.810 17.390 1.00 0.00 H +ATOM 19351 HW2 SOL 5926 63.500 36.130 17.540 1.00 0.00 H +ATOM 19352 OW SOL 5927 32.950 32.460 0.370 1.00 0.00 O +ATOM 19353 HW1 SOL 5927 33.130 31.560 0.110 1.00 0.00 H +ATOM 19354 HW2 SOL 5927 32.680 32.890 -0.440 1.00 0.00 H +ATOM 19355 OW SOL 5928 10.510 40.220 8.970 1.00 0.00 O +ATOM 19356 HW1 SOL 5928 10.180 39.430 9.400 1.00 0.00 H +ATOM 19357 HW2 SOL 5928 11.450 40.210 9.140 1.00 0.00 H +ATOM 19358 OW SOL 5929 33.290 35.740 42.910 1.00 0.00 O +ATOM 19359 HW1 SOL 5929 33.210 34.910 43.380 1.00 0.00 H +ATOM 19360 HW2 SOL 5929 33.750 36.320 43.510 1.00 0.00 H +ATOM 19361 OW SOL 5930 60.350 35.000 9.150 1.00 0.00 O +ATOM 19362 HW1 SOL 5930 59.430 34.930 9.430 1.00 0.00 H +ATOM 19363 HW2 SOL 5930 60.320 34.860 8.200 1.00 0.00 H +ATOM 19364 OW SOL 5931 44.920 19.820 52.390 1.00 0.00 O +ATOM 19365 HW1 SOL 5931 44.930 20.770 52.240 1.00 0.00 H +ATOM 19366 HW2 SOL 5931 45.120 19.440 51.540 1.00 0.00 H +ATOM 19367 OW SOL 5932 48.370 47.920 7.410 1.00 0.00 O +ATOM 19368 HW1 SOL 5932 49.190 48.080 7.870 1.00 0.00 H +ATOM 19369 HW2 SOL 5932 48.630 47.440 6.620 1.00 0.00 H +ATOM 19370 OW SOL 5933 20.660 35.610 14.220 1.00 0.00 O +ATOM 19371 HW1 SOL 5933 20.920 36.420 14.660 1.00 0.00 H +ATOM 19372 HW2 SOL 5933 21.340 34.980 14.470 1.00 0.00 H +ATOM 19373 OW SOL 5934 51.300 16.060 29.280 1.00 0.00 O +ATOM 19374 HW1 SOL 5934 50.930 16.710 28.690 1.00 0.00 H +ATOM 19375 HW2 SOL 5934 52.240 16.240 29.290 1.00 0.00 H +ATOM 19376 OW SOL 5935 8.030 17.410 52.660 1.00 0.00 O +ATOM 19377 HW1 SOL 5935 7.370 17.750 52.060 1.00 0.00 H +ATOM 19378 HW2 SOL 5935 8.520 16.780 52.130 1.00 0.00 H +ATOM 19379 OW SOL 5936 52.900 33.920 10.780 1.00 0.00 O +ATOM 19380 HW1 SOL 5936 52.750 32.980 10.890 1.00 0.00 H +ATOM 19381 HW2 SOL 5936 52.050 34.270 10.500 1.00 0.00 H +ATOM 19382 OW SOL 5937 40.330 26.400 46.190 1.00 0.00 O +ATOM 19383 HW1 SOL 5937 39.980 26.180 47.050 1.00 0.00 H +ATOM 19384 HW2 SOL 5937 40.490 25.550 45.770 1.00 0.00 H +ATOM 19385 OW SOL 5938 16.830 21.210 6.740 1.00 0.00 O +ATOM 19386 HW1 SOL 5938 17.640 21.690 6.600 1.00 0.00 H +ATOM 19387 HW2 SOL 5938 16.840 21.000 7.680 1.00 0.00 H +ATOM 19388 OW SOL 5939 32.990 7.110 30.370 1.00 0.00 O +ATOM 19389 HW1 SOL 5939 32.960 7.700 31.130 1.00 0.00 H +ATOM 19390 HW2 SOL 5939 32.690 7.650 29.640 1.00 0.00 H +ATOM 19391 OW SOL 5940 30.350 48.290 1.610 1.00 0.00 O +ATOM 19392 HW1 SOL 5940 29.550 48.390 1.100 1.00 0.00 H +ATOM 19393 HW2 SOL 5940 30.760 49.150 1.580 1.00 0.00 H +ATOM 19394 OW SOL 5941 42.010 59.460 23.920 1.00 0.00 O +ATOM 19395 HW1 SOL 5941 42.700 58.800 23.990 1.00 0.00 H +ATOM 19396 HW2 SOL 5941 42.250 59.980 23.150 1.00 0.00 H +ATOM 19397 OW SOL 5942 35.640 35.420 17.950 1.00 0.00 O +ATOM 19398 HW1 SOL 5942 35.860 36.230 18.400 1.00 0.00 H +ATOM 19399 HW2 SOL 5942 34.690 35.370 17.980 1.00 0.00 H +ATOM 19400 OW SOL 5943 17.720 24.860 20.750 1.00 0.00 O +ATOM 19401 HW1 SOL 5943 17.940 24.880 21.680 1.00 0.00 H +ATOM 19402 HW2 SOL 5943 17.800 23.940 20.510 1.00 0.00 H +ATOM 19403 OW SOL 5944 15.890 19.810 1.980 1.00 0.00 O +ATOM 19404 HW1 SOL 5944 16.390 20.450 1.470 1.00 0.00 H +ATOM 19405 HW2 SOL 5944 16.410 19.660 2.770 1.00 0.00 H +ATOM 19406 OW SOL 5945 3.000 61.640 2.210 1.00 0.00 O +ATOM 19407 HW1 SOL 5945 3.070 60.740 1.890 1.00 0.00 H +ATOM 19408 HW2 SOL 5945 2.180 61.960 1.830 1.00 0.00 H +ATOM 19409 OW SOL 5946 43.500 49.430 6.960 1.00 0.00 O +ATOM 19410 HW1 SOL 5946 42.980 48.900 7.570 1.00 0.00 H +ATOM 19411 HW2 SOL 5946 43.190 49.180 6.090 1.00 0.00 H +ATOM 19412 OW SOL 5947 11.230 25.870 43.380 1.00 0.00 O +ATOM 19413 HW1 SOL 5947 11.290 26.350 42.550 1.00 0.00 H +ATOM 19414 HW2 SOL 5947 10.340 26.040 43.690 1.00 0.00 H +ATOM 19415 OW SOL 5948 64.370 53.570 31.030 1.00 0.00 O +ATOM 19416 HW1 SOL 5948 64.560 54.510 31.060 1.00 0.00 H +ATOM 19417 HW2 SOL 5948 65.180 53.150 31.300 1.00 0.00 H +ATOM 19418 OW SOL 5949 10.300 39.200 45.750 1.00 0.00 O +ATOM 19419 HW1 SOL 5949 10.860 39.760 45.220 1.00 0.00 H +ATOM 19420 HW2 SOL 5949 9.810 39.800 46.320 1.00 0.00 H +ATOM 19421 OW SOL 5950 20.960 53.340 28.750 1.00 0.00 O +ATOM 19422 HW1 SOL 5950 21.050 53.300 27.800 1.00 0.00 H +ATOM 19423 HW2 SOL 5950 20.750 52.440 29.010 1.00 0.00 H +ATOM 19424 OW SOL 5951 4.560 55.620 51.020 1.00 0.00 O +ATOM 19425 HW1 SOL 5951 3.680 55.540 50.650 1.00 0.00 H +ATOM 19426 HW2 SOL 5951 5.060 56.110 50.350 1.00 0.00 H +ATOM 19427 OW SOL 5952 56.620 24.050 17.610 1.00 0.00 O +ATOM 19428 HW1 SOL 5952 56.690 23.120 17.820 1.00 0.00 H +ATOM 19429 HW2 SOL 5952 57.240 24.190 16.900 1.00 0.00 H +ATOM 19430 OW SOL 5953 6.580 31.780 47.190 1.00 0.00 O +ATOM 19431 HW1 SOL 5953 6.830 31.360 48.020 1.00 0.00 H +ATOM 19432 HW2 SOL 5953 7.160 31.400 46.540 1.00 0.00 H +ATOM 19433 OW SOL 5954 11.650 45.070 53.110 1.00 0.00 O +ATOM 19434 HW1 SOL 5954 11.450 45.670 53.840 1.00 0.00 H +ATOM 19435 HW2 SOL 5954 12.250 45.560 52.550 1.00 0.00 H +ATOM 19436 OW SOL 5955 58.030 56.730 44.590 1.00 0.00 O +ATOM 19437 HW1 SOL 5955 58.070 57.010 45.500 1.00 0.00 H +ATOM 19438 HW2 SOL 5955 58.940 56.540 44.360 1.00 0.00 H +ATOM 19439 OW SOL 5956 25.810 15.950 24.690 1.00 0.00 O +ATOM 19440 HW1 SOL 5956 25.650 16.570 23.990 1.00 0.00 H +ATOM 19441 HW2 SOL 5956 25.550 15.100 24.320 1.00 0.00 H +ATOM 19442 OW SOL 5957 25.400 20.150 32.300 1.00 0.00 O +ATOM 19443 HW1 SOL 5957 26.070 19.490 32.160 1.00 0.00 H +ATOM 19444 HW2 SOL 5957 25.060 20.340 31.430 1.00 0.00 H +ATOM 19445 OW SOL 5958 60.120 36.660 49.080 1.00 0.00 O +ATOM 19446 HW1 SOL 5958 59.580 37.300 49.540 1.00 0.00 H +ATOM 19447 HW2 SOL 5958 60.140 35.900 49.670 1.00 0.00 H +ATOM 19448 OW SOL 5959 23.730 61.330 41.180 1.00 0.00 O +ATOM 19449 HW1 SOL 5959 24.660 61.560 41.300 1.00 0.00 H +ATOM 19450 HW2 SOL 5959 23.430 61.090 42.060 1.00 0.00 H +ATOM 19451 OW SOL 5960 32.920 25.080 2.300 1.00 0.00 O +ATOM 19452 HW1 SOL 5960 32.900 25.890 2.810 1.00 0.00 H +ATOM 19453 HW2 SOL 5960 33.690 24.610 2.640 1.00 0.00 H +ATOM 19454 OW SOL 5961 32.170 22.410 47.850 1.00 0.00 O +ATOM 19455 HW1 SOL 5961 32.440 22.720 46.990 1.00 0.00 H +ATOM 19456 HW2 SOL 5961 31.790 21.540 47.690 1.00 0.00 H +ATOM 19457 OW SOL 5962 65.100 54.240 0.650 1.00 0.00 O +ATOM 19458 HW1 SOL 5962 64.330 54.130 1.210 1.00 0.00 H +ATOM 19459 HW2 SOL 5962 65.830 54.300 1.260 1.00 0.00 H +ATOM 19460 OW SOL 5963 54.990 21.980 41.420 1.00 0.00 O +ATOM 19461 HW1 SOL 5963 55.180 22.910 41.510 1.00 0.00 H +ATOM 19462 HW2 SOL 5963 55.400 21.730 40.590 1.00 0.00 H +ATOM 19463 OW SOL 5964 16.960 3.930 2.480 1.00 0.00 O +ATOM 19464 HW1 SOL 5964 16.060 3.650 2.660 1.00 0.00 H +ATOM 19465 HW2 SOL 5964 17.500 3.250 2.890 1.00 0.00 H +ATOM 19466 OW SOL 5965 62.340 17.180 50.430 1.00 0.00 O +ATOM 19467 HW1 SOL 5965 61.930 16.720 49.700 1.00 0.00 H +ATOM 19468 HW2 SOL 5965 62.990 16.560 50.760 1.00 0.00 H +ATOM 19469 OW SOL 5966 31.290 50.840 1.820 1.00 0.00 O +ATOM 19470 HW1 SOL 5966 31.320 51.380 1.020 1.00 0.00 H +ATOM 19471 HW2 SOL 5966 32.140 50.990 2.240 1.00 0.00 H +ATOM 19472 OW SOL 5967 17.360 47.410 26.530 1.00 0.00 O +ATOM 19473 HW1 SOL 5967 18.210 47.530 26.940 1.00 0.00 H +ATOM 19474 HW2 SOL 5967 16.990 46.630 26.940 1.00 0.00 H +ATOM 19475 OW SOL 5968 60.650 4.440 3.960 1.00 0.00 O +ATOM 19476 HW1 SOL 5968 60.680 3.830 3.220 1.00 0.00 H +ATOM 19477 HW2 SOL 5968 60.350 5.260 3.580 1.00 0.00 H +ATOM 19478 OW SOL 5969 17.040 51.950 37.820 1.00 0.00 O +ATOM 19479 HW1 SOL 5969 17.270 52.650 37.220 1.00 0.00 H +ATOM 19480 HW2 SOL 5969 17.680 52.020 38.530 1.00 0.00 H +ATOM 19481 OW SOL 5970 5.100 61.210 7.120 1.00 0.00 O +ATOM 19482 HW1 SOL 5970 4.440 61.470 6.470 1.00 0.00 H +ATOM 19483 HW2 SOL 5970 5.040 61.890 7.800 1.00 0.00 H +ATOM 19484 OW SOL 5971 44.540 14.680 34.270 1.00 0.00 O +ATOM 19485 HW1 SOL 5971 45.140 15.240 33.780 1.00 0.00 H +ATOM 19486 HW2 SOL 5971 45.110 14.030 34.690 1.00 0.00 H +ATOM 19487 OW SOL 5972 49.360 1.190 32.550 1.00 0.00 O +ATOM 19488 HW1 SOL 5972 50.260 1.150 32.230 1.00 0.00 H +ATOM 19489 HW2 SOL 5972 49.440 1.480 33.460 1.00 0.00 H +ATOM 19490 OW SOL 5973 29.570 29.360 7.540 1.00 0.00 O +ATOM 19491 HW1 SOL 5973 28.800 28.930 7.920 1.00 0.00 H +ATOM 19492 HW2 SOL 5973 29.690 30.140 8.080 1.00 0.00 H +ATOM 19493 OW SOL 5974 12.720 4.360 39.180 1.00 0.00 O +ATOM 19494 HW1 SOL 5974 12.570 4.680 38.290 1.00 0.00 H +ATOM 19495 HW2 SOL 5974 13.450 3.750 39.110 1.00 0.00 H +ATOM 19496 OW SOL 5975 58.320 29.580 1.430 1.00 0.00 O +ATOM 19497 HW1 SOL 5975 59.000 29.620 2.100 1.00 0.00 H +ATOM 19498 HW2 SOL 5975 58.750 29.160 0.680 1.00 0.00 H +ATOM 19499 OW SOL 5976 30.410 22.600 52.750 1.00 0.00 O +ATOM 19500 HW1 SOL 5976 30.650 22.490 51.830 1.00 0.00 H +ATOM 19501 HW2 SOL 5976 30.590 23.530 52.930 1.00 0.00 H +ATOM 19502 OW SOL 5977 9.320 13.160 22.310 1.00 0.00 O +ATOM 19503 HW1 SOL 5977 8.750 13.810 22.730 1.00 0.00 H +ATOM 19504 HW2 SOL 5977 9.850 12.810 23.020 1.00 0.00 H +ATOM 19505 OW SOL 5978 61.400 18.320 22.410 1.00 0.00 O +ATOM 19506 HW1 SOL 5978 61.020 17.840 21.680 1.00 0.00 H +ATOM 19507 HW2 SOL 5978 60.690 18.870 22.730 1.00 0.00 H +ATOM 19508 OW SOL 5979 65.070 6.930 34.180 1.00 0.00 O +ATOM 19509 HW1 SOL 5979 65.160 6.070 34.590 1.00 0.00 H +ATOM 19510 HW2 SOL 5979 65.640 6.900 33.420 1.00 0.00 H +ATOM 19511 OW SOL 5980 29.840 17.140 5.670 1.00 0.00 O +ATOM 19512 HW1 SOL 5980 30.570 16.630 5.320 1.00 0.00 H +ATOM 19513 HW2 SOL 5980 29.110 16.970 5.080 1.00 0.00 H +ATOM 19514 OW SOL 5981 48.700 43.740 8.830 1.00 0.00 O +ATOM 19515 HW1 SOL 5981 48.510 42.820 8.630 1.00 0.00 H +ATOM 19516 HW2 SOL 5981 48.930 44.120 7.980 1.00 0.00 H +ATOM 19517 OW SOL 5982 18.279 18.637 0.115 1.00 0.00 O +ATOM 19518 HW1 SOL 5982 18.459 18.887 -0.795 1.00 0.00 H +ATOM 19519 HW2 SOL 5982 17.329 18.747 0.205 1.00 0.00 H +ATOM 19520 OW SOL 5983 15.110 57.210 52.690 1.00 0.00 O +ATOM 19521 HW1 SOL 5983 15.020 57.760 53.470 1.00 0.00 H +ATOM 19522 HW2 SOL 5983 15.410 57.800 52.010 1.00 0.00 H +ATOM 19523 OW SOL 5984 55.210 45.380 28.110 1.00 0.00 O +ATOM 19524 HW1 SOL 5984 54.380 44.920 27.980 1.00 0.00 H +ATOM 19525 HW2 SOL 5984 55.450 45.180 29.010 1.00 0.00 H +ATOM 19526 OW SOL 5985 59.230 13.080 22.930 1.00 0.00 O +ATOM 19527 HW1 SOL 5985 58.390 13.080 22.480 1.00 0.00 H +ATOM 19528 HW2 SOL 5985 59.300 13.960 23.310 1.00 0.00 H +ATOM 19529 OW SOL 5986 45.770 30.610 48.620 1.00 0.00 O +ATOM 19530 HW1 SOL 5986 45.710 31.130 47.820 1.00 0.00 H +ATOM 19531 HW2 SOL 5986 44.960 30.090 48.630 1.00 0.00 H +ATOM 19532 OW SOL 5987 53.110 38.530 38.490 1.00 0.00 O +ATOM 19533 HW1 SOL 5987 53.230 38.540 39.440 1.00 0.00 H +ATOM 19534 HW2 SOL 5987 53.980 38.700 38.140 1.00 0.00 H +ATOM 19535 OW SOL 5988 31.720 16.880 26.660 1.00 0.00 O +ATOM 19536 HW1 SOL 5988 31.580 16.720 25.730 1.00 0.00 H +ATOM 19537 HW2 SOL 5988 31.540 16.050 27.080 1.00 0.00 H +ATOM 19538 OW SOL 5989 30.700 27.800 11.140 1.00 0.00 O +ATOM 19539 HW1 SOL 5989 31.390 28.420 10.890 1.00 0.00 H +ATOM 19540 HW2 SOL 5989 30.690 27.830 12.100 1.00 0.00 H +ATOM 19541 OW SOL 5990 34.950 9.310 42.770 1.00 0.00 O +ATOM 19542 HW1 SOL 5990 34.600 10.140 43.100 1.00 0.00 H +ATOM 19543 HW2 SOL 5990 34.350 8.650 43.110 1.00 0.00 H +ATOM 19544 OW SOL 5991 6.870 7.490 36.020 1.00 0.00 O +ATOM 19545 HW1 SOL 5991 6.340 6.840 36.470 1.00 0.00 H +ATOM 19546 HW2 SOL 5991 7.630 7.620 36.590 1.00 0.00 H +ATOM 19547 OW SOL 5992 59.190 11.770 14.690 1.00 0.00 O +ATOM 19548 HW1 SOL 5992 58.810 12.210 15.450 1.00 0.00 H +ATOM 19549 HW2 SOL 5992 60.130 11.780 14.850 1.00 0.00 H +ATOM 19550 OW SOL 5993 51.280 11.700 13.130 1.00 0.00 O +ATOM 19551 HW1 SOL 5993 51.600 12.420 13.670 1.00 0.00 H +ATOM 19552 HW2 SOL 5993 50.670 11.220 13.700 1.00 0.00 H +ATOM 19553 OW SOL 5994 64.560 30.250 37.510 1.00 0.00 O +ATOM 19554 HW1 SOL 5994 64.320 30.620 36.660 1.00 0.00 H +ATOM 19555 HW2 SOL 5994 65.510 30.390 37.570 1.00 0.00 H +ATOM 19556 OW SOL 5995 36.450 18.530 46.890 1.00 0.00 O +ATOM 19557 HW1 SOL 5995 36.060 17.940 46.250 1.00 0.00 H +ATOM 19558 HW2 SOL 5995 35.740 18.740 47.490 1.00 0.00 H +ATOM 19559 OW SOL 5996 1.780 2.420 42.150 1.00 0.00 O +ATOM 19560 HW1 SOL 5996 1.120 1.790 42.460 1.00 0.00 H +ATOM 19561 HW2 SOL 5996 2.450 2.420 42.820 1.00 0.00 H +ATOM 19562 OW SOL 5997 51.420 31.480 37.480 1.00 0.00 O +ATOM 19563 HW1 SOL 5997 50.670 31.780 37.980 1.00 0.00 H +ATOM 19564 HW2 SOL 5997 52.120 32.100 37.700 1.00 0.00 H +ATOM 19565 OW SOL 5998 64.200 47.380 14.740 1.00 0.00 O +ATOM 19566 HW1 SOL 5998 65.020 47.310 14.250 1.00 0.00 H +ATOM 19567 HW2 SOL 5998 63.730 48.100 14.320 1.00 0.00 H +ATOM 19568 OW SOL 5999 35.230 32.600 47.960 1.00 0.00 O +ATOM 19569 HW1 SOL 5999 35.410 32.590 48.900 1.00 0.00 H +ATOM 19570 HW2 SOL 5999 35.840 31.960 47.600 1.00 0.00 H +ATOM 19571 OW SOL 6000 15.670 11.130 24.160 1.00 0.00 O +ATOM 19572 HW1 SOL 6000 16.580 11.070 24.430 1.00 0.00 H +ATOM 19573 HW2 SOL 6000 15.560 12.040 23.870 1.00 0.00 H +ATOM 19574 OW SOL 6001 1.830 50.630 8.840 1.00 0.00 O +ATOM 19575 HW1 SOL 6001 1.770 51.520 9.180 1.00 0.00 H +ATOM 19576 HW2 SOL 6001 2.440 50.180 9.420 1.00 0.00 H +ATOM 19577 OW SOL 6002 45.640 33.300 7.800 1.00 0.00 O +ATOM 19578 HW1 SOL 6002 46.500 33.000 7.500 1.00 0.00 H +ATOM 19579 HW2 SOL 6002 45.810 33.760 8.620 1.00 0.00 H +ATOM 19580 OW SOL 6003 7.450 9.780 31.270 1.00 0.00 O +ATOM 19581 HW1 SOL 6003 6.640 9.950 30.800 1.00 0.00 H +ATOM 19582 HW2 SOL 6003 7.640 10.600 31.730 1.00 0.00 H +ATOM 19583 OW SOL 6004 41.810 15.660 15.160 1.00 0.00 O +ATOM 19584 HW1 SOL 6004 42.380 14.980 15.530 1.00 0.00 H +ATOM 19585 HW2 SOL 6004 42.300 15.990 14.410 1.00 0.00 H +ATOM 19586 OW SOL 6005 56.550 47.940 30.270 1.00 0.00 O +ATOM 19587 HW1 SOL 6005 56.320 48.160 29.370 1.00 0.00 H +ATOM 19588 HW2 SOL 6005 55.780 47.490 30.610 1.00 0.00 H +ATOM 19589 OW SOL 6006 2.490 49.950 50.410 1.00 0.00 O +ATOM 19590 HW1 SOL 6006 1.840 50.460 49.920 1.00 0.00 H +ATOM 19591 HW2 SOL 6006 2.440 50.280 51.300 1.00 0.00 H +ATOM 19592 OW SOL 6007 15.340 17.600 33.180 1.00 0.00 O +ATOM 19593 HW1 SOL 6007 15.370 18.450 32.750 1.00 0.00 H +ATOM 19594 HW2 SOL 6007 15.900 17.700 33.950 1.00 0.00 H +ATOM 19595 OW SOL 6008 7.760 45.740 48.420 1.00 0.00 O +ATOM 19596 HW1 SOL 6008 8.570 45.750 48.930 1.00 0.00 H +ATOM 19597 HW2 SOL 6008 7.630 46.650 48.170 1.00 0.00 H +ATOM 19598 OW SOL 6009 35.870 34.990 8.140 1.00 0.00 O +ATOM 19599 HW1 SOL 6009 36.300 34.890 7.290 1.00 0.00 H +ATOM 19600 HW2 SOL 6009 35.090 35.510 7.970 1.00 0.00 H +ATOM 19601 OW SOL 6010 8.700 33.100 0.410 1.00 0.00 O +ATOM 19602 HW1 SOL 6010 8.380 33.880 0.860 1.00 0.00 H +ATOM 19603 HW2 SOL 6010 8.260 32.370 0.840 1.00 0.00 H +ATOM 19604 OW SOL 6011 27.320 13.070 44.240 1.00 0.00 O +ATOM 19605 HW1 SOL 6011 28.260 13.220 44.150 1.00 0.00 H +ATOM 19606 HW2 SOL 6011 27.040 12.780 43.370 1.00 0.00 H +ATOM 19607 OW SOL 6012 48.350 31.430 48.420 1.00 0.00 O +ATOM 19608 HW1 SOL 6012 48.400 32.360 48.620 1.00 0.00 H +ATOM 19609 HW2 SOL 6012 47.420 31.220 48.510 1.00 0.00 H +ATOM 19610 OW SOL 6013 43.150 2.110 52.710 1.00 0.00 O +ATOM 19611 HW1 SOL 6013 43.330 2.260 53.640 1.00 0.00 H +ATOM 19612 HW2 SOL 6013 42.740 2.930 52.420 1.00 0.00 H +ATOM 19613 OW SOL 6014 43.720 34.510 11.660 1.00 0.00 O +ATOM 19614 HW1 SOL 6014 43.080 33.800 11.610 1.00 0.00 H +ATOM 19615 HW2 SOL 6014 43.430 35.150 11.010 1.00 0.00 H +ATOM 19616 OW SOL 6015 41.950 23.680 39.670 1.00 0.00 O +ATOM 19617 HW1 SOL 6015 42.120 22.760 39.440 1.00 0.00 H +ATOM 19618 HW2 SOL 6015 41.340 23.620 40.410 1.00 0.00 H +ATOM 19619 OW SOL 6016 52.580 17.360 11.020 1.00 0.00 O +ATOM 19620 HW1 SOL 6016 52.440 16.490 11.390 1.00 0.00 H +ATOM 19621 HW2 SOL 6016 51.800 17.850 11.260 1.00 0.00 H +ATOM 19622 OW SOL 6017 4.110 17.130 38.750 1.00 0.00 O +ATOM 19623 HW1 SOL 6017 3.450 16.790 38.140 1.00 0.00 H +ATOM 19624 HW2 SOL 6017 3.800 16.860 39.610 1.00 0.00 H +ATOM 19625 OW SOL 6018 13.320 30.100 37.230 1.00 0.00 O +ATOM 19626 HW1 SOL 6018 12.580 30.240 36.640 1.00 0.00 H +ATOM 19627 HW2 SOL 6018 14.060 30.510 36.790 1.00 0.00 H +ATOM 19628 OW SOL 6019 59.480 38.170 20.350 1.00 0.00 O +ATOM 19629 HW1 SOL 6019 60.290 38.690 20.310 1.00 0.00 H +ATOM 19630 HW2 SOL 6019 59.220 38.060 19.440 1.00 0.00 H +ATOM 19631 OW SOL 6020 29.010 12.790 51.240 1.00 0.00 O +ATOM 19632 HW1 SOL 6020 28.580 11.970 50.980 1.00 0.00 H +ATOM 19633 HW2 SOL 6020 28.900 12.820 52.190 1.00 0.00 H +ATOM 19634 OW SOL 6021 39.110 31.050 40.910 1.00 0.00 O +ATOM 19635 HW1 SOL 6021 39.310 30.140 41.170 1.00 0.00 H +ATOM 19636 HW2 SOL 6021 39.650 31.580 41.490 1.00 0.00 H +ATOM 19637 OW SOL 6022 8.910 9.220 11.120 1.00 0.00 O +ATOM 19638 HW1 SOL 6022 9.290 8.850 11.920 1.00 0.00 H +ATOM 19639 HW2 SOL 6022 9.500 8.930 10.430 1.00 0.00 H +ATOM 19640 OW SOL 6023 35.560 49.370 45.510 1.00 0.00 O +ATOM 19641 HW1 SOL 6023 35.690 49.810 46.350 1.00 0.00 H +ATOM 19642 HW2 SOL 6023 36.120 48.590 45.550 1.00 0.00 H +ATOM 19643 OW SOL 6024 18.800 55.910 45.320 1.00 0.00 O +ATOM 19644 HW1 SOL 6024 19.280 56.550 45.850 1.00 0.00 H +ATOM 19645 HW2 SOL 6024 18.110 55.580 45.900 1.00 0.00 H +ATOM 19646 OW SOL 6025 27.180 23.320 19.060 1.00 0.00 O +ATOM 19647 HW1 SOL 6025 27.790 22.580 19.120 1.00 0.00 H +ATOM 19648 HW2 SOL 6025 26.360 23.000 19.430 1.00 0.00 H +ATOM 19649 OW SOL 6026 60.580 42.510 3.620 1.00 0.00 O +ATOM 19650 HW1 SOL 6026 60.720 42.250 2.710 1.00 0.00 H +ATOM 19651 HW2 SOL 6026 61.340 43.050 3.830 1.00 0.00 H +ATOM 19652 OW SOL 6027 4.730 11.560 32.810 1.00 0.00 O +ATOM 19653 HW1 SOL 6027 5.060 10.880 33.400 1.00 0.00 H +ATOM 19654 HW2 SOL 6027 4.960 11.250 31.930 1.00 0.00 H +ATOM 19655 OW SOL 6028 42.800 36.080 0.450 1.00 0.00 O +ATOM 19656 HW1 SOL 6028 42.400 36.740 -0.110 1.00 0.00 H +ATOM 19657 HW2 SOL 6028 43.720 36.050 0.180 1.00 0.00 H +ATOM 19658 OW SOL 6029 53.300 21.340 9.800 1.00 0.00 O +ATOM 19659 HW1 SOL 6029 54.070 21.000 10.250 1.00 0.00 H +ATOM 19660 HW2 SOL 6029 52.560 20.900 10.230 1.00 0.00 H +ATOM 19661 OW SOL 6030 57.640 46.740 36.470 1.00 0.00 O +ATOM 19662 HW1 SOL 6030 57.500 47.130 35.610 1.00 0.00 H +ATOM 19663 HW2 SOL 6030 57.590 45.790 36.310 1.00 0.00 H +ATOM 19664 OW SOL 6031 53.500 4.790 32.670 1.00 0.00 O +ATOM 19665 HW1 SOL 6031 54.110 4.400 32.040 1.00 0.00 H +ATOM 19666 HW2 SOL 6031 52.640 4.720 32.260 1.00 0.00 H +ATOM 19667 OW SOL 6032 58.400 52.930 1.930 1.00 0.00 O +ATOM 19668 HW1 SOL 6032 59.180 52.450 2.190 1.00 0.00 H +ATOM 19669 HW2 SOL 6032 58.680 53.850 1.910 1.00 0.00 H +ATOM 19670 OW SOL 6033 63.600 61.070 14.970 1.00 0.00 O +ATOM 19671 HW1 SOL 6033 64.050 61.030 15.810 1.00 0.00 H +ATOM 19672 HW2 SOL 6033 62.920 60.400 15.030 1.00 0.00 H +ATOM 19673 OW SOL 6034 49.620 38.620 13.660 1.00 0.00 O +ATOM 19674 HW1 SOL 6034 50.100 39.380 14.010 1.00 0.00 H +ATOM 19675 HW2 SOL 6034 48.970 39.000 13.070 1.00 0.00 H +ATOM 19676 OW SOL 6035 21.230 42.980 24.000 1.00 0.00 O +ATOM 19677 HW1 SOL 6035 21.640 43.570 23.380 1.00 0.00 H +ATOM 19678 HW2 SOL 6035 21.620 43.210 24.850 1.00 0.00 H +ATOM 19679 OW SOL 6036 29.530 1.040 15.610 1.00 0.00 O +ATOM 19680 HW1 SOL 6036 29.250 1.820 16.080 1.00 0.00 H +ATOM 19681 HW2 SOL 6036 30.470 1.160 15.490 1.00 0.00 H +ATOM 19682 OW SOL 6037 40.790 2.110 10.710 1.00 0.00 O +ATOM 19683 HW1 SOL 6037 40.500 3.020 10.630 1.00 0.00 H +ATOM 19684 HW2 SOL 6037 41.360 2.110 11.480 1.00 0.00 H +ATOM 19685 OW SOL 6038 54.090 12.970 19.580 1.00 0.00 O +ATOM 19686 HW1 SOL 6038 53.960 12.250 20.200 1.00 0.00 H +ATOM 19687 HW2 SOL 6038 53.220 13.370 19.480 1.00 0.00 H +ATOM 19688 OW SOL 6039 47.930 43.580 18.730 1.00 0.00 O +ATOM 19689 HW1 SOL 6039 48.300 43.260 17.910 1.00 0.00 H +ATOM 19690 HW2 SOL 6039 47.400 44.330 18.480 1.00 0.00 H +ATOM 19691 OW SOL 6040 3.030 31.610 2.230 1.00 0.00 O +ATOM 19692 HW1 SOL 6040 3.210 30.910 1.610 1.00 0.00 H +ATOM 19693 HW2 SOL 6040 2.910 32.390 1.680 1.00 0.00 H +ATOM 19694 OW SOL 6041 64.670 53.360 24.340 1.00 0.00 O +ATOM 19695 HW1 SOL 6041 63.940 53.450 24.960 1.00 0.00 H +ATOM 19696 HW2 SOL 6041 65.280 54.050 24.600 1.00 0.00 H +ATOM 19697 OW SOL 6042 47.620 2.020 9.030 1.00 0.00 O +ATOM 19698 HW1 SOL 6042 47.640 1.670 8.140 1.00 0.00 H +ATOM 19699 HW2 SOL 6042 46.720 1.910 9.310 1.00 0.00 H +ATOM 19700 OW SOL 6043 25.780 21.130 14.520 1.00 0.00 O +ATOM 19701 HW1 SOL 6043 25.580 21.790 15.180 1.00 0.00 H +ATOM 19702 HW2 SOL 6043 26.710 20.950 14.630 1.00 0.00 H +ATOM 19703 OW SOL 6044 36.660 4.700 50.720 1.00 0.00 O +ATOM 19704 HW1 SOL 6044 37.320 4.730 51.410 1.00 0.00 H +ATOM 19705 HW2 SOL 6044 36.980 4.040 50.100 1.00 0.00 H +ATOM 19706 OW SOL 6045 26.170 53.180 52.330 1.00 0.00 O +ATOM 19707 HW1 SOL 6045 26.180 54.060 52.720 1.00 0.00 H +ATOM 19708 HW2 SOL 6045 25.440 53.200 51.720 1.00 0.00 H +ATOM 19709 OW SOL 6046 1.760 52.140 48.300 1.00 0.00 O +ATOM 19710 HW1 SOL 6046 2.650 52.130 48.670 1.00 0.00 H +ATOM 19711 HW2 SOL 6046 1.690 53.010 47.900 1.00 0.00 H +ATOM 19712 OW SOL 6047 0.220 23.920 28.530 1.00 0.00 O +ATOM 19713 HW1 SOL 6047 -0.090 24.110 29.420 1.00 0.00 H +ATOM 19714 HW2 SOL 6047 1.070 24.350 28.470 1.00 0.00 H +ATOM 19715 OW SOL 6048 16.700 15.920 31.510 1.00 0.00 O +ATOM 19716 HW1 SOL 6048 16.680 16.200 30.590 1.00 0.00 H +ATOM 19717 HW2 SOL 6048 16.040 16.460 31.940 1.00 0.00 H +ATOM 19718 OW SOL 6049 4.200 59.650 48.550 1.00 0.00 O +ATOM 19719 HW1 SOL 6049 4.770 59.390 49.260 1.00 0.00 H +ATOM 19720 HW2 SOL 6049 4.110 58.860 48.010 1.00 0.00 H +ATOM 19721 OW SOL 6050 29.030 28.960 22.050 1.00 0.00 O +ATOM 19722 HW1 SOL 6050 29.470 28.130 21.850 1.00 0.00 H +ATOM 19723 HW2 SOL 6050 28.300 29.000 21.440 1.00 0.00 H +ATOM 19724 OW SOL 6051 49.780 1.090 53.430 1.00 0.00 O +ATOM 19725 HW1 SOL 6051 50.180 0.400 53.960 1.00 0.00 H +ATOM 19726 HW2 SOL 6051 50.510 1.660 53.200 1.00 0.00 H +ATOM 19727 OW SOL 6052 27.160 45.980 1.850 1.00 0.00 O +ATOM 19728 HW1 SOL 6052 27.730 45.870 2.620 1.00 0.00 H +ATOM 19729 HW2 SOL 6052 27.580 46.660 1.330 1.00 0.00 H +ATOM 19730 OW SOL 6053 55.270 32.220 43.910 1.00 0.00 O +ATOM 19731 HW1 SOL 6053 54.920 32.550 44.740 1.00 0.00 H +ATOM 19732 HW2 SOL 6053 55.240 32.980 43.330 1.00 0.00 H +ATOM 19733 OW SOL 6054 30.290 10.360 4.190 1.00 0.00 O +ATOM 19734 HW1 SOL 6054 30.130 10.680 5.080 1.00 0.00 H +ATOM 19735 HW2 SOL 6054 29.410 10.190 3.850 1.00 0.00 H +ATOM 19736 OW SOL 6055 45.420 49.830 19.350 1.00 0.00 O +ATOM 19737 HW1 SOL 6055 46.060 50.440 19.000 1.00 0.00 H +ATOM 19738 HW2 SOL 6055 44.930 49.530 18.580 1.00 0.00 H +ATOM 19739 OW SOL 6056 22.500 23.690 20.240 1.00 0.00 O +ATOM 19740 HW1 SOL 6056 21.860 24.270 19.810 1.00 0.00 H +ATOM 19741 HW2 SOL 6056 22.270 23.740 21.170 1.00 0.00 H +ATOM 19742 OW SOL 6057 62.150 8.750 20.530 1.00 0.00 O +ATOM 19743 HW1 SOL 6057 62.870 8.270 20.950 1.00 0.00 H +ATOM 19744 HW2 SOL 6057 61.800 9.310 21.220 1.00 0.00 H +ATOM 19745 OW SOL 6058 27.230 58.820 52.830 1.00 0.00 O +ATOM 19746 HW1 SOL 6058 26.560 59.140 53.430 1.00 0.00 H +ATOM 19747 HW2 SOL 6058 27.680 59.610 52.520 1.00 0.00 H +ATOM 19748 OW SOL 6059 11.140 53.600 2.930 1.00 0.00 O +ATOM 19749 HW1 SOL 6059 11.350 53.950 3.800 1.00 0.00 H +ATOM 19750 HW2 SOL 6059 11.500 54.230 2.320 1.00 0.00 H +ATOM 19751 OW SOL 6060 8.790 3.130 8.040 1.00 0.00 O +ATOM 19752 HW1 SOL 6060 8.130 3.790 7.830 1.00 0.00 H +ATOM 19753 HW2 SOL 6060 8.280 2.410 8.420 1.00 0.00 H +ATOM 19754 OW SOL 6061 6.990 6.540 41.120 1.00 0.00 O +ATOM 19755 HW1 SOL 6061 6.840 6.400 42.060 1.00 0.00 H +ATOM 19756 HW2 SOL 6061 6.270 6.080 40.690 1.00 0.00 H +ATOM 19757 OW SOL 6062 63.470 49.280 32.620 1.00 0.00 O +ATOM 19758 HW1 SOL 6062 62.660 49.560 33.040 1.00 0.00 H +ATOM 19759 HW2 SOL 6062 64.130 49.320 33.320 1.00 0.00 H +ATOM 19760 OW SOL 6063 13.570 46.480 31.460 1.00 0.00 O +ATOM 19761 HW1 SOL 6063 12.900 45.800 31.350 1.00 0.00 H +ATOM 19762 HW2 SOL 6063 13.570 46.670 32.400 1.00 0.00 H +ATOM 19763 OW SOL 6064 1.220 45.730 25.900 1.00 0.00 O +ATOM 19764 HW1 SOL 6064 1.170 46.380 26.600 1.00 0.00 H +ATOM 19765 HW2 SOL 6064 0.510 45.960 25.300 1.00 0.00 H +ATOM 19766 OW SOL 6065 15.470 49.730 4.630 1.00 0.00 O +ATOM 19767 HW1 SOL 6065 15.800 49.180 5.330 1.00 0.00 H +ATOM 19768 HW2 SOL 6065 16.250 50.160 4.280 1.00 0.00 H +ATOM 19769 OW SOL 6066 44.290 0.460 41.260 1.00 0.00 O +ATOM 19770 HW1 SOL 6066 43.970 1.180 40.720 1.00 0.00 H +ATOM 19771 HW2 SOL 6066 44.160 0.770 42.160 1.00 0.00 H +ATOM 19772 OW SOL 6067 54.240 36.090 11.340 1.00 0.00 O +ATOM 19773 HW1 SOL 6067 53.590 35.410 11.150 1.00 0.00 H +ATOM 19774 HW2 SOL 6067 54.710 36.200 10.510 1.00 0.00 H +ATOM 19775 OW SOL 6068 37.110 17.330 19.730 1.00 0.00 O +ATOM 19776 HW1 SOL 6068 37.300 17.970 19.050 1.00 0.00 H +ATOM 19777 HW2 SOL 6068 37.860 16.730 19.710 1.00 0.00 H +ATOM 19778 OW SOL 6069 44.580 26.230 26.590 1.00 0.00 O +ATOM 19779 HW1 SOL 6069 43.880 26.870 26.430 1.00 0.00 H +ATOM 19780 HW2 SOL 6069 45.240 26.430 25.930 1.00 0.00 H +ATOM 19781 OW SOL 6070 47.060 31.910 9.900 1.00 0.00 O +ATOM 19782 HW1 SOL 6070 46.320 31.330 10.050 1.00 0.00 H +ATOM 19783 HW2 SOL 6070 47.290 31.780 8.980 1.00 0.00 H +ATOM 19784 OW SOL 6071 60.780 36.420 37.210 1.00 0.00 O +ATOM 19785 HW1 SOL 6071 61.730 36.520 37.110 1.00 0.00 H +ATOM 19786 HW2 SOL 6071 60.550 35.720 36.590 1.00 0.00 H +ATOM 19787 OW SOL 6072 62.720 42.050 13.840 1.00 0.00 O +ATOM 19788 HW1 SOL 6072 62.630 41.280 13.280 1.00 0.00 H +ATOM 19789 HW2 SOL 6072 61.850 42.190 14.190 1.00 0.00 H +ATOM 19790 OW SOL 6073 45.250 24.500 8.850 1.00 0.00 O +ATOM 19791 HW1 SOL 6073 44.880 24.520 9.730 1.00 0.00 H +ATOM 19792 HW2 SOL 6073 44.920 23.690 8.470 1.00 0.00 H +ATOM 19793 OW SOL 6074 0.065 33.230 53.560 1.00 0.00 O +ATOM 19794 HW1 SOL 6074 -0.185 34.150 53.600 1.00 0.00 H +ATOM 19795 HW2 SOL 6074 0.115 33.040 52.620 1.00 0.00 H +ATOM 19796 OW SOL 6075 65.210 57.310 10.830 1.00 0.00 O +ATOM 19797 HW1 SOL 6075 64.600 57.710 10.210 1.00 0.00 H +ATOM 19798 HW2 SOL 6075 65.690 58.060 11.200 1.00 0.00 H +ATOM 19799 OW SOL 6076 0.680 35.700 8.930 1.00 0.00 O +ATOM 19800 HW1 SOL 6076 0.450 36.490 8.440 1.00 0.00 H +ATOM 19801 HW2 SOL 6076 -0.080 35.120 8.820 1.00 0.00 H +ATOM 19802 OW SOL 6077 1.080 34.630 19.320 1.00 0.00 O +ATOM 19803 HW1 SOL 6077 1.030 34.520 20.270 1.00 0.00 H +ATOM 19804 HW2 SOL 6077 0.170 34.550 19.020 1.00 0.00 H +ATOM 19805 OW SOL 6078 32.320 21.840 14.180 1.00 0.00 O +ATOM 19806 HW1 SOL 6078 32.650 22.380 13.460 1.00 0.00 H +ATOM 19807 HW2 SOL 6078 32.800 22.150 14.950 1.00 0.00 H +ATOM 19808 OW SOL 6079 39.210 36.310 6.540 1.00 0.00 O +ATOM 19809 HW1 SOL 6079 38.300 36.610 6.570 1.00 0.00 H +ATOM 19810 HW2 SOL 6079 39.460 36.420 5.620 1.00 0.00 H +ATOM 19811 OW SOL 6080 46.760 1.080 6.680 1.00 0.00 O +ATOM 19812 HW1 SOL 6080 46.850 1.300 5.750 1.00 0.00 H +ATOM 19813 HW2 SOL 6080 46.130 0.360 6.700 1.00 0.00 H +ATOM 19814 OW SOL 6081 47.021 55.343 53.445 1.00 0.00 O +ATOM 19815 HW1 SOL 6081 47.541 55.283 54.245 1.00 0.00 H +ATOM 19816 HW2 SOL 6081 46.881 54.433 53.185 1.00 0.00 H +ATOM 19817 OW SOL 6082 54.010 2.390 24.430 1.00 0.00 O +ATOM 19818 HW1 SOL 6082 54.380 2.440 25.310 1.00 0.00 H +ATOM 19819 HW2 SOL 6082 53.830 3.300 24.190 1.00 0.00 H +ATOM 19820 OW SOL 6083 47.080 45.450 33.460 1.00 0.00 O +ATOM 19821 HW1 SOL 6083 46.970 46.400 33.460 1.00 0.00 H +ATOM 19822 HW2 SOL 6083 46.220 45.110 33.690 1.00 0.00 H +ATOM 19823 OW SOL 6084 51.780 35.420 33.960 1.00 0.00 O +ATOM 19824 HW1 SOL 6084 51.810 34.640 34.520 1.00 0.00 H +ATOM 19825 HW2 SOL 6084 50.870 35.460 33.670 1.00 0.00 H +ATOM 19826 OW SOL 6085 20.400 3.450 49.810 1.00 0.00 O +ATOM 19827 HW1 SOL 6085 19.740 3.390 49.120 1.00 0.00 H +ATOM 19828 HW2 SOL 6085 20.240 2.690 50.360 1.00 0.00 H +ATOM 19829 OW SOL 6086 26.640 14.990 6.330 1.00 0.00 O +ATOM 19830 HW1 SOL 6086 26.510 15.360 5.460 1.00 0.00 H +ATOM 19831 HW2 SOL 6086 25.860 15.250 6.820 1.00 0.00 H +ATOM 19832 OW SOL 6087 3.730 5.570 40.490 1.00 0.00 O +ATOM 19833 HW1 SOL 6087 3.670 5.940 41.370 1.00 0.00 H +ATOM 19834 HW2 SOL 6087 2.950 5.900 40.040 1.00 0.00 H +ATOM 19835 OW SOL 6088 56.990 44.800 13.910 1.00 0.00 O +ATOM 19836 HW1 SOL 6088 56.200 44.950 14.420 1.00 0.00 H +ATOM 19837 HW2 SOL 6088 57.710 44.900 14.530 1.00 0.00 H +ATOM 19838 OW SOL 6089 4.560 50.970 42.720 1.00 0.00 O +ATOM 19839 HW1 SOL 6089 4.350 50.150 43.170 1.00 0.00 H +ATOM 19840 HW2 SOL 6089 5.240 50.730 42.090 1.00 0.00 H +ATOM 19841 OW SOL 6090 44.860 47.970 15.910 1.00 0.00 O +ATOM 19842 HW1 SOL 6090 45.040 48.890 16.110 1.00 0.00 H +ATOM 19843 HW2 SOL 6090 45.510 47.740 15.240 1.00 0.00 H +ATOM 19844 OW SOL 6091 60.010 37.920 23.760 1.00 0.00 O +ATOM 19845 HW1 SOL 6091 59.110 37.580 23.730 1.00 0.00 H +ATOM 19846 HW2 SOL 6091 60.060 38.500 23.010 1.00 0.00 H +ATOM 19847 OW SOL 6092 3.720 35.510 52.540 1.00 0.00 O +ATOM 19848 HW1 SOL 6092 2.970 35.710 53.100 1.00 0.00 H +ATOM 19849 HW2 SOL 6092 3.610 34.580 52.330 1.00 0.00 H +ATOM 19850 OW SOL 6093 38.040 6.680 9.930 1.00 0.00 O +ATOM 19851 HW1 SOL 6093 37.220 6.390 10.340 1.00 0.00 H +ATOM 19852 HW2 SOL 6093 37.880 7.590 9.690 1.00 0.00 H +ATOM 19853 OW SOL 6094 13.140 8.230 11.310 1.00 0.00 O +ATOM 19854 HW1 SOL 6094 13.280 7.920 10.410 1.00 0.00 H +ATOM 19855 HW2 SOL 6094 12.490 8.930 11.230 1.00 0.00 H +ATOM 19856 OW SOL 6095 63.410 60.260 39.830 1.00 0.00 O +ATOM 19857 HW1 SOL 6095 63.150 60.630 38.980 1.00 0.00 H +ATOM 19858 HW2 SOL 6095 62.740 60.570 40.440 1.00 0.00 H +ATOM 19859 OW SOL 6096 19.050 35.160 46.990 1.00 0.00 O +ATOM 19860 HW1 SOL 6096 18.700 34.410 47.480 1.00 0.00 H +ATOM 19861 HW2 SOL 6096 18.480 35.250 46.230 1.00 0.00 H +ATOM 19862 OW SOL 6097 20.619 5.057 0.225 1.00 0.00 O +ATOM 19863 HW1 SOL 6097 19.809 4.537 0.155 1.00 0.00 H +ATOM 19864 HW2 SOL 6097 20.759 5.407 -0.655 1.00 0.00 H +ATOM 19865 OW SOL 6098 13.770 38.800 40.450 1.00 0.00 O +ATOM 19866 HW1 SOL 6098 14.480 38.680 41.070 1.00 0.00 H +ATOM 19867 HW2 SOL 6098 13.410 39.660 40.660 1.00 0.00 H +ATOM 19868 OW SOL 6099 40.970 9.910 24.250 1.00 0.00 O +ATOM 19869 HW1 SOL 6099 41.210 9.770 25.170 1.00 0.00 H +ATOM 19870 HW2 SOL 6099 41.160 10.830 24.090 1.00 0.00 H +ATOM 19871 OW SOL 6100 45.680 29.590 26.240 1.00 0.00 O +ATOM 19872 HW1 SOL 6100 44.930 29.150 25.840 1.00 0.00 H +ATOM 19873 HW2 SOL 6100 46.340 29.630 25.540 1.00 0.00 H +ATOM 19874 OW SOL 6101 60.430 51.010 27.510 1.00 0.00 O +ATOM 19875 HW1 SOL 6101 60.390 51.190 28.450 1.00 0.00 H +ATOM 19876 HW2 SOL 6101 60.600 51.850 27.100 1.00 0.00 H +ATOM 19877 OW SOL 6102 59.180 10.800 44.700 1.00 0.00 O +ATOM 19878 HW1 SOL 6102 58.620 11.570 44.650 1.00 0.00 H +ATOM 19879 HW2 SOL 6102 60.040 11.110 44.400 1.00 0.00 H +ATOM 19880 OW SOL 6103 33.350 2.590 26.910 1.00 0.00 O +ATOM 19881 HW1 SOL 6103 32.500 2.210 26.720 1.00 0.00 H +ATOM 19882 HW2 SOL 6103 33.320 3.470 26.520 1.00 0.00 H +ATOM 19883 OW SOL 6104 57.390 59.670 33.520 1.00 0.00 O +ATOM 19884 HW1 SOL 6104 57.530 60.020 32.640 1.00 0.00 H +ATOM 19885 HW2 SOL 6104 57.960 58.900 33.560 1.00 0.00 H +ATOM 19886 OW SOL 6105 46.080 59.220 39.770 1.00 0.00 O +ATOM 19887 HW1 SOL 6105 46.450 58.600 39.140 1.00 0.00 H +ATOM 19888 HW2 SOL 6105 45.890 60.010 39.260 1.00 0.00 H +ATOM 19889 OW SOL 6106 39.660 2.480 27.540 1.00 0.00 O +ATOM 19890 HW1 SOL 6106 40.110 1.920 26.910 1.00 0.00 H +ATOM 19891 HW2 SOL 6106 39.540 3.310 27.080 1.00 0.00 H +ATOM 19892 OW SOL 6107 52.960 43.300 11.370 1.00 0.00 O +ATOM 19893 HW1 SOL 6107 53.580 42.670 11.020 1.00 0.00 H +ATOM 19894 HW2 SOL 6107 52.680 43.820 10.620 1.00 0.00 H +ATOM 19895 OW SOL 6108 10.060 40.420 15.550 1.00 0.00 O +ATOM 19896 HW1 SOL 6108 10.950 40.710 15.350 1.00 0.00 H +ATOM 19897 HW2 SOL 6108 9.500 41.150 15.250 1.00 0.00 H +ATOM 19898 OW SOL 6109 22.790 11.790 51.890 1.00 0.00 O +ATOM 19899 HW1 SOL 6109 22.330 12.630 51.940 1.00 0.00 H +ATOM 19900 HW2 SOL 6109 22.110 11.130 52.040 1.00 0.00 H +ATOM 19901 OW SOL 6110 61.060 30.300 35.870 1.00 0.00 O +ATOM 19902 HW1 SOL 6110 60.190 30.230 35.480 1.00 0.00 H +ATOM 19903 HW2 SOL 6110 61.100 29.580 36.490 1.00 0.00 H +ATOM 19904 OW SOL 6111 25.420 29.530 37.960 1.00 0.00 O +ATOM 19905 HW1 SOL 6111 26.300 29.240 37.710 1.00 0.00 H +ATOM 19906 HW2 SOL 6111 25.560 30.110 38.700 1.00 0.00 H +ATOM 19907 OW SOL 6112 60.700 58.530 33.270 1.00 0.00 O +ATOM 19908 HW1 SOL 6112 61.580 58.650 32.910 1.00 0.00 H +ATOM 19909 HW2 SOL 6112 60.700 57.640 33.610 1.00 0.00 H +ATOM 19910 OW SOL 6113 42.350 4.690 53.090 1.00 0.00 O +ATOM 19911 HW1 SOL 6113 41.610 5.160 52.710 1.00 0.00 H +ATOM 19912 HW2 SOL 6113 43.110 5.250 52.900 1.00 0.00 H +ATOM 19913 OW SOL 6114 50.020 29.650 17.760 1.00 0.00 O +ATOM 19914 HW1 SOL 6114 50.220 30.150 16.960 1.00 0.00 H +ATOM 19915 HW2 SOL 6114 50.750 29.840 18.350 1.00 0.00 H +ATOM 19916 OW SOL 6115 30.520 12.220 38.340 1.00 0.00 O +ATOM 19917 HW1 SOL 6115 30.310 13.050 38.760 1.00 0.00 H +ATOM 19918 HW2 SOL 6115 30.040 12.240 37.520 1.00 0.00 H +ATOM 19919 OW SOL 6116 44.930 6.560 45.640 1.00 0.00 O +ATOM 19920 HW1 SOL 6116 44.750 7.430 45.280 1.00 0.00 H +ATOM 19921 HW2 SOL 6116 44.400 5.960 45.110 1.00 0.00 H +ATOM 19922 OW SOL 6117 29.630 12.340 33.590 1.00 0.00 O +ATOM 19923 HW1 SOL 6117 30.110 13.160 33.680 1.00 0.00 H +ATOM 19924 HW2 SOL 6117 29.910 12.000 32.730 1.00 0.00 H +ATOM 19925 OW SOL 6118 2.870 47.850 36.030 1.00 0.00 O +ATOM 19926 HW1 SOL 6118 3.680 48.340 36.210 1.00 0.00 H +ATOM 19927 HW2 SOL 6118 2.290 48.090 36.740 1.00 0.00 H +ATOM 19928 OW SOL 6119 55.230 12.410 35.820 1.00 0.00 O +ATOM 19929 HW1 SOL 6119 56.130 12.250 35.560 1.00 0.00 H +ATOM 19930 HW2 SOL 6119 55.290 12.780 36.700 1.00 0.00 H +ATOM 19931 OW SOL 6120 13.010 9.080 40.770 1.00 0.00 O +ATOM 19932 HW1 SOL 6120 13.180 8.210 41.120 1.00 0.00 H +ATOM 19933 HW2 SOL 6120 13.350 9.680 41.440 1.00 0.00 H +ATOM 19934 OW SOL 6121 48.310 59.030 1.760 1.00 0.00 O +ATOM 19935 HW1 SOL 6121 48.610 58.130 1.630 1.00 0.00 H +ATOM 19936 HW2 SOL 6121 48.800 59.540 1.110 1.00 0.00 H +ATOM 19937 OW SOL 6122 37.380 36.520 1.420 1.00 0.00 O +ATOM 19938 HW1 SOL 6122 36.880 35.760 1.730 1.00 0.00 H +ATOM 19939 HW2 SOL 6122 37.550 36.330 0.500 1.00 0.00 H +ATOM 19940 OW SOL 6123 56.060 2.530 29.730 1.00 0.00 O +ATOM 19941 HW1 SOL 6123 55.860 2.040 30.530 1.00 0.00 H +ATOM 19942 HW2 SOL 6123 55.380 2.280 29.120 1.00 0.00 H +ATOM 19943 OW SOL 6124 27.750 7.050 51.490 1.00 0.00 O +ATOM 19944 HW1 SOL 6124 28.360 7.740 51.250 1.00 0.00 H +ATOM 19945 HW2 SOL 6124 27.950 6.850 52.400 1.00 0.00 H +ATOM 19946 OW SOL 6125 15.470 41.660 44.420 1.00 0.00 O +ATOM 19947 HW1 SOL 6125 15.950 42.440 44.130 1.00 0.00 H +ATOM 19948 HW2 SOL 6125 15.900 41.410 45.240 1.00 0.00 H +ATOM 19949 OW SOL 6126 25.680 33.890 43.750 1.00 0.00 O +ATOM 19950 HW1 SOL 6126 26.410 33.850 43.130 1.00 0.00 H +ATOM 19951 HW2 SOL 6126 26.070 33.650 44.590 1.00 0.00 H +ATOM 19952 OW SOL 6127 24.290 32.550 47.190 1.00 0.00 O +ATOM 19953 HW1 SOL 6127 23.640 33.090 46.740 1.00 0.00 H +ATOM 19954 HW2 SOL 6127 24.090 31.660 46.930 1.00 0.00 H +ATOM 19955 OW SOL 6128 34.830 58.210 25.830 1.00 0.00 O +ATOM 19956 HW1 SOL 6128 35.010 57.300 25.600 1.00 0.00 H +ATOM 19957 HW2 SOL 6128 34.790 58.660 24.980 1.00 0.00 H +ATOM 19958 OW SOL 6129 52.530 25.730 11.430 1.00 0.00 O +ATOM 19959 HW1 SOL 6129 52.440 26.680 11.530 1.00 0.00 H +ATOM 19960 HW2 SOL 6129 52.300 25.560 10.520 1.00 0.00 H +ATOM 19961 OW SOL 6130 5.000 23.060 20.530 1.00 0.00 O +ATOM 19962 HW1 SOL 6130 5.620 22.330 20.510 1.00 0.00 H +ATOM 19963 HW2 SOL 6130 5.370 23.700 19.930 1.00 0.00 H +ATOM 19964 OW SOL 6131 9.260 44.690 13.600 1.00 0.00 O +ATOM 19965 HW1 SOL 6131 8.770 45.440 13.950 1.00 0.00 H +ATOM 19966 HW2 SOL 6131 8.970 43.950 14.130 1.00 0.00 H +ATOM 19967 OW SOL 6132 4.670 30.400 28.930 1.00 0.00 O +ATOM 19968 HW1 SOL 6132 4.600 31.350 28.960 1.00 0.00 H +ATOM 19969 HW2 SOL 6132 5.580 30.210 29.130 1.00 0.00 H +ATOM 19970 OW SOL 6133 27.280 31.800 13.420 1.00 0.00 O +ATOM 19971 HW1 SOL 6133 28.170 32.110 13.250 1.00 0.00 H +ATOM 19972 HW2 SOL 6133 27.150 31.070 12.810 1.00 0.00 H +ATOM 19973 OW SOL 6134 13.950 1.870 49.540 1.00 0.00 O +ATOM 19974 HW1 SOL 6134 14.030 1.200 48.860 1.00 0.00 H +ATOM 19975 HW2 SOL 6134 13.000 1.930 49.710 1.00 0.00 H +ATOM 19976 OW SOL 6135 20.350 16.430 18.320 1.00 0.00 O +ATOM 19977 HW1 SOL 6135 19.620 15.850 18.100 1.00 0.00 H +ATOM 19978 HW2 SOL 6135 20.600 16.830 17.490 1.00 0.00 H +ATOM 19979 OW SOL 6136 55.830 26.280 26.600 1.00 0.00 O +ATOM 19980 HW1 SOL 6136 56.300 26.380 25.770 1.00 0.00 H +ATOM 19981 HW2 SOL 6136 56.300 25.580 27.050 1.00 0.00 H +ATOM 19982 OW SOL 6137 37.510 17.830 43.510 1.00 0.00 O +ATOM 19983 HW1 SOL 6137 37.250 18.620 43.050 1.00 0.00 H +ATOM 19984 HW2 SOL 6137 36.680 17.410 43.740 1.00 0.00 H +ATOM 19985 OW SOL 6138 54.490 47.220 3.640 1.00 0.00 O +ATOM 19986 HW1 SOL 6138 54.330 47.800 2.900 1.00 0.00 H +ATOM 19987 HW2 SOL 6138 53.660 47.240 4.130 1.00 0.00 H +ATOM 19988 OW SOL 6139 2.660 57.510 8.320 1.00 0.00 O +ATOM 19989 HW1 SOL 6139 3.420 57.650 7.760 1.00 0.00 H +ATOM 19990 HW2 SOL 6139 2.760 58.140 9.040 1.00 0.00 H +ATOM 19991 OW SOL 6140 8.990 10.980 7.260 1.00 0.00 O +ATOM 19992 HW1 SOL 6140 8.360 11.090 6.560 1.00 0.00 H +ATOM 19993 HW2 SOL 6140 9.490 10.200 7.020 1.00 0.00 H +ATOM 19994 OW SOL 6141 14.000 59.440 49.750 1.00 0.00 O +ATOM 19995 HW1 SOL 6141 13.110 59.180 49.550 1.00 0.00 H +ATOM 19996 HW2 SOL 6141 14.550 58.860 49.220 1.00 0.00 H +ATOM 19997 OW SOL 6142 60.330 57.840 12.430 1.00 0.00 O +ATOM 19998 HW1 SOL 6142 60.040 58.750 12.540 1.00 0.00 H +ATOM 19999 HW2 SOL 6142 59.670 57.330 12.890 1.00 0.00 H +ATOM 20000 OW SOL 6143 46.220 22.860 38.050 1.00 0.00 O +ATOM 20001 HW1 SOL 6143 47.100 22.750 38.420 1.00 0.00 H +ATOM 20002 HW2 SOL 6143 46.360 22.870 37.110 1.00 0.00 H +ATOM 20003 OW SOL 6144 32.720 9.760 50.930 1.00 0.00 O +ATOM 20004 HW1 SOL 6144 32.910 9.040 50.330 1.00 0.00 H +ATOM 20005 HW2 SOL 6144 32.990 10.550 50.450 1.00 0.00 H +ATOM 20006 OW SOL 6145 42.680 19.620 34.110 1.00 0.00 O +ATOM 20007 HW1 SOL 6145 42.840 18.710 34.360 1.00 0.00 H +ATOM 20008 HW2 SOL 6145 43.510 19.900 33.710 1.00 0.00 H +ATOM 20009 OW SOL 6146 6.640 50.350 38.310 1.00 0.00 O +ATOM 20010 HW1 SOL 6146 6.870 50.760 37.480 1.00 0.00 H +ATOM 20011 HW2 SOL 6146 5.750 50.640 38.490 1.00 0.00 H +ATOM 20012 OW SOL 6147 39.530 52.400 40.200 1.00 0.00 O +ATOM 20013 HW1 SOL 6147 39.550 52.460 39.240 1.00 0.00 H +ATOM 20014 HW2 SOL 6147 40.440 52.510 40.460 1.00 0.00 H +ATOM 20015 OW SOL 6148 52.230 27.100 20.880 1.00 0.00 O +ATOM 20016 HW1 SOL 6148 52.270 26.450 20.180 1.00 0.00 H +ATOM 20017 HW2 SOL 6148 52.630 26.660 21.630 1.00 0.00 H +ATOM 20018 OW SOL 6149 19.660 23.250 13.070 1.00 0.00 O +ATOM 20019 HW1 SOL 6149 19.020 23.960 13.140 1.00 0.00 H +ATOM 20020 HW2 SOL 6149 19.420 22.780 12.270 1.00 0.00 H +ATOM 20021 OW SOL 6150 43.220 56.400 30.580 1.00 0.00 O +ATOM 20022 HW1 SOL 6150 42.530 55.940 30.100 1.00 0.00 H +ATOM 20023 HW2 SOL 6150 42.840 57.250 30.800 1.00 0.00 H +ATOM 20024 OW SOL 6151 13.610 22.400 53.000 1.00 0.00 O +ATOM 20025 HW1 SOL 6151 12.840 22.970 53.060 1.00 0.00 H +ATOM 20026 HW2 SOL 6151 13.890 22.280 53.900 1.00 0.00 H +ATOM 20027 OW SOL 6152 62.880 48.830 7.710 1.00 0.00 O +ATOM 20028 HW1 SOL 6152 63.660 49.280 7.390 1.00 0.00 H +ATOM 20029 HW2 SOL 6152 62.160 49.420 7.490 1.00 0.00 H +ATOM 20030 OW SOL 6153 58.010 48.130 8.590 1.00 0.00 O +ATOM 20031 HW1 SOL 6153 57.570 47.650 9.290 1.00 0.00 H +ATOM 20032 HW2 SOL 6153 58.760 48.540 9.020 1.00 0.00 H +ATOM 20033 OW SOL 6154 54.560 4.540 44.190 1.00 0.00 O +ATOM 20034 HW1 SOL 6154 53.770 5.060 44.110 1.00 0.00 H +ATOM 20035 HW2 SOL 6154 55.230 5.150 44.510 1.00 0.00 H +ATOM 20036 OW SOL 6155 17.540 43.480 44.770 1.00 0.00 O +ATOM 20037 HW1 SOL 6155 17.560 43.080 45.630 1.00 0.00 H +ATOM 20038 HW2 SOL 6155 18.410 43.870 44.660 1.00 0.00 H +ATOM 20039 OW SOL 6156 4.240 26.890 11.980 1.00 0.00 O +ATOM 20040 HW1 SOL 6156 4.780 27.200 12.700 1.00 0.00 H +ATOM 20041 HW2 SOL 6156 4.340 25.940 12.000 1.00 0.00 H +ATOM 20042 OW SOL 6157 37.370 24.480 40.340 1.00 0.00 O +ATOM 20043 HW1 SOL 6157 37.850 24.330 39.530 1.00 0.00 H +ATOM 20044 HW2 SOL 6157 36.570 24.920 40.070 1.00 0.00 H +ATOM 20045 OW SOL 6158 58.190 22.210 33.790 1.00 0.00 O +ATOM 20046 HW1 SOL 6158 58.480 22.880 33.180 1.00 0.00 H +ATOM 20047 HW2 SOL 6158 57.690 22.680 34.450 1.00 0.00 H +ATOM 20048 OW SOL 6159 48.400 58.180 28.920 1.00 0.00 O +ATOM 20049 HW1 SOL 6159 48.130 58.930 29.450 1.00 0.00 H +ATOM 20050 HW2 SOL 6159 49.140 58.500 28.410 1.00 0.00 H +ATOM 20051 OW SOL 6160 50.610 40.740 23.170 1.00 0.00 O +ATOM 20052 HW1 SOL 6160 50.650 40.600 24.120 1.00 0.00 H +ATOM 20053 HW2 SOL 6160 51.320 40.210 22.830 1.00 0.00 H +ATOM 20054 OW SOL 6161 55.810 38.910 7.080 1.00 0.00 O +ATOM 20055 HW1 SOL 6161 56.310 38.850 6.260 1.00 0.00 H +ATOM 20056 HW2 SOL 6161 55.290 39.710 6.970 1.00 0.00 H +ATOM 20057 OW SOL 6162 14.340 4.560 13.940 1.00 0.00 O +ATOM 20058 HW1 SOL 6162 13.920 3.810 14.360 1.00 0.00 H +ATOM 20059 HW2 SOL 6162 15.260 4.490 14.190 1.00 0.00 H +ATOM 20060 OW SOL 6163 10.500 19.880 24.350 1.00 0.00 O +ATOM 20061 HW1 SOL 6163 9.770 20.170 24.910 1.00 0.00 H +ATOM 20062 HW2 SOL 6163 10.090 19.620 23.530 1.00 0.00 H +ATOM 20063 OW SOL 6164 22.750 32.580 16.530 1.00 0.00 O +ATOM 20064 HW1 SOL 6164 22.340 32.050 15.850 1.00 0.00 H +ATOM 20065 HW2 SOL 6164 23.600 32.810 16.180 1.00 0.00 H +ATOM 20066 OW SOL 6165 58.740 24.390 47.650 1.00 0.00 O +ATOM 20067 HW1 SOL 6165 58.150 23.850 48.180 1.00 0.00 H +ATOM 20068 HW2 SOL 6165 58.220 24.620 46.880 1.00 0.00 H +ATOM 20069 OW SOL 6166 27.010 28.770 20.440 1.00 0.00 O +ATOM 20070 HW1 SOL 6166 26.690 27.870 20.500 1.00 0.00 H +ATOM 20071 HW2 SOL 6166 26.370 29.220 19.880 1.00 0.00 H +ATOM 20072 OW SOL 6167 2.430 47.360 4.530 1.00 0.00 O +ATOM 20073 HW1 SOL 6167 2.750 47.600 5.400 1.00 0.00 H +ATOM 20074 HW2 SOL 6167 3.180 47.470 3.950 1.00 0.00 H +ATOM 20075 OW SOL 6168 38.500 20.770 28.950 1.00 0.00 O +ATOM 20076 HW1 SOL 6168 38.220 19.910 28.620 1.00 0.00 H +ATOM 20077 HW2 SOL 6168 38.520 21.330 28.170 1.00 0.00 H +ATOM 20078 OW SOL 6169 22.260 55.770 1.060 1.00 0.00 O +ATOM 20079 HW1 SOL 6169 22.850 56.140 0.390 1.00 0.00 H +ATOM 20080 HW2 SOL 6169 21.700 55.160 0.580 1.00 0.00 H +ATOM 20081 OW SOL 6170 9.890 27.430 30.850 1.00 0.00 O +ATOM 20082 HW1 SOL 6170 10.050 27.940 30.050 1.00 0.00 H +ATOM 20083 HW2 SOL 6170 10.720 27.440 31.320 1.00 0.00 H +ATOM 20084 OW SOL 6171 49.400 26.610 18.370 1.00 0.00 O +ATOM 20085 HW1 SOL 6171 49.870 27.450 18.300 1.00 0.00 H +ATOM 20086 HW2 SOL 6171 49.900 26.010 17.820 1.00 0.00 H +ATOM 20087 OW SOL 6172 53.810 29.920 49.320 1.00 0.00 O +ATOM 20088 HW1 SOL 6172 54.020 29.890 48.390 1.00 0.00 H +ATOM 20089 HW2 SOL 6172 54.660 29.860 49.760 1.00 0.00 H +ATOM 20090 OW SOL 6173 50.250 61.930 51.130 1.00 0.00 O +ATOM 20091 HW1 SOL 6173 50.960 61.710 51.730 1.00 0.00 H +ATOM 20092 HW2 SOL 6173 50.000 61.090 50.740 1.00 0.00 H +ATOM 20093 OW SOL 6174 21.250 24.430 22.760 1.00 0.00 O +ATOM 20094 HW1 SOL 6174 21.200 23.670 23.340 1.00 0.00 H +ATOM 20095 HW2 SOL 6174 20.400 24.870 22.860 1.00 0.00 H +ATOM 20096 OW SOL 6175 60.950 51.640 1.090 1.00 0.00 O +ATOM 20097 HW1 SOL 6175 60.110 51.470 0.670 1.00 0.00 H +ATOM 20098 HW2 SOL 6175 61.080 52.580 0.990 1.00 0.00 H +ATOM 20099 OW SOL 6176 38.680 35.090 40.240 1.00 0.00 O +ATOM 20100 HW1 SOL 6176 38.470 34.200 39.930 1.00 0.00 H +ATOM 20101 HW2 SOL 6176 39.600 35.210 40.010 1.00 0.00 H +ATOM 20102 OW SOL 6177 7.330 30.070 49.350 1.00 0.00 O +ATOM 20103 HW1 SOL 6177 7.250 29.500 48.580 1.00 0.00 H +ATOM 20104 HW2 SOL 6177 6.850 29.620 50.040 1.00 0.00 H +ATOM 20105 OW SOL 6178 16.180 24.040 1.810 1.00 0.00 O +ATOM 20106 HW1 SOL 6178 17.040 24.440 1.750 1.00 0.00 H +ATOM 20107 HW2 SOL 6178 15.840 24.320 2.660 1.00 0.00 H +ATOM 20108 OW SOL 6179 9.500 15.720 14.310 1.00 0.00 O +ATOM 20109 HW1 SOL 6179 8.970 16.240 13.700 1.00 0.00 H +ATOM 20110 HW2 SOL 6179 9.060 14.880 14.350 1.00 0.00 H +ATOM 20111 OW SOL 6180 44.310 4.030 17.240 1.00 0.00 O +ATOM 20112 HW1 SOL 6180 44.960 3.720 16.610 1.00 0.00 H +ATOM 20113 HW2 SOL 6180 43.840 3.250 17.510 1.00 0.00 H +ATOM 20114 OW SOL 6181 25.690 0.000 43.880 1.00 0.00 O +ATOM 20115 HW1 SOL 6181 25.110 -0.410 43.240 1.00 0.00 H +ATOM 20116 HW2 SOL 6181 25.180 0.730 44.230 1.00 0.00 H +ATOM 20117 OW SOL 6182 47.680 7.130 1.240 1.00 0.00 O +ATOM 20118 HW1 SOL 6182 47.630 7.610 0.410 1.00 0.00 H +ATOM 20119 HW2 SOL 6182 46.910 7.410 1.730 1.00 0.00 H +ATOM 20120 OW SOL 6183 50.770 46.510 46.970 1.00 0.00 O +ATOM 20121 HW1 SOL 6183 50.050 47.080 47.230 1.00 0.00 H +ATOM 20122 HW2 SOL 6183 50.710 46.460 46.020 1.00 0.00 H +ATOM 20123 OW SOL 6184 30.480 34.060 9.410 1.00 0.00 O +ATOM 20124 HW1 SOL 6184 30.450 34.260 8.470 1.00 0.00 H +ATOM 20125 HW2 SOL 6184 30.830 34.860 9.810 1.00 0.00 H +ATOM 20126 OW SOL 6185 50.110 40.830 33.240 1.00 0.00 O +ATOM 20127 HW1 SOL 6185 49.760 40.200 33.870 1.00 0.00 H +ATOM 20128 HW2 SOL 6185 49.650 41.640 33.430 1.00 0.00 H +ATOM 20129 OW SOL 6186 32.990 10.990 39.160 1.00 0.00 O +ATOM 20130 HW1 SOL 6186 32.110 11.290 38.940 1.00 0.00 H +ATOM 20131 HW2 SOL 6186 32.840 10.200 39.690 1.00 0.00 H +ATOM 20132 OW SOL 6187 14.600 47.360 36.700 1.00 0.00 O +ATOM 20133 HW1 SOL 6187 15.080 48.180 36.820 1.00 0.00 H +ATOM 20134 HW2 SOL 6187 15.120 46.710 37.170 1.00 0.00 H +ATOM 20135 OW SOL 6188 20.180 57.920 36.220 1.00 0.00 O +ATOM 20136 HW1 SOL 6188 20.860 58.220 36.840 1.00 0.00 H +ATOM 20137 HW2 SOL 6188 20.620 57.250 35.700 1.00 0.00 H +ATOM 20138 OW SOL 6189 38.310 39.920 40.880 1.00 0.00 O +ATOM 20139 HW1 SOL 6189 37.970 40.150 41.740 1.00 0.00 H +ATOM 20140 HW2 SOL 6189 39.250 40.080 40.930 1.00 0.00 H +ATOM 20141 OW SOL 6190 34.630 56.690 33.250 1.00 0.00 O +ATOM 20142 HW1 SOL 6190 35.550 56.560 33.470 1.00 0.00 H +ATOM 20143 HW2 SOL 6190 34.490 56.170 32.460 1.00 0.00 H +ATOM 20144 OW SOL 6191 65.060 29.460 4.290 1.00 0.00 O +ATOM 20145 HW1 SOL 6191 64.340 30.060 4.130 1.00 0.00 H +ATOM 20146 HW2 SOL 6191 65.840 29.950 4.010 1.00 0.00 H +ATOM 20147 OW SOL 6192 16.030 24.350 31.620 1.00 0.00 O +ATOM 20148 HW1 SOL 6192 16.720 25.010 31.700 1.00 0.00 H +ATOM 20149 HW2 SOL 6192 15.890 24.270 30.670 1.00 0.00 H +ATOM 20150 OW SOL 6193 9.720 40.070 1.600 1.00 0.00 O +ATOM 20151 HW1 SOL 6193 9.580 39.360 2.230 1.00 0.00 H +ATOM 20152 HW2 SOL 6193 9.410 40.850 2.050 1.00 0.00 H +ATOM 20153 OW SOL 6194 41.030 35.260 38.770 1.00 0.00 O +ATOM 20154 HW1 SOL 6194 41.270 34.500 39.290 1.00 0.00 H +ATOM 20155 HW2 SOL 6194 41.830 35.780 38.730 1.00 0.00 H +ATOM 20156 OW SOL 6195 43.940 51.270 8.950 1.00 0.00 O +ATOM 20157 HW1 SOL 6195 44.320 50.470 8.590 1.00 0.00 H +ATOM 20158 HW2 SOL 6195 43.020 51.070 9.080 1.00 0.00 H +ATOM 20159 OW SOL 6196 14.420 35.020 18.320 1.00 0.00 O +ATOM 20160 HW1 SOL 6196 14.240 34.300 18.930 1.00 0.00 H +ATOM 20161 HW2 SOL 6196 14.150 35.810 18.790 1.00 0.00 H +ATOM 20162 OW SOL 6197 2.210 19.230 14.720 1.00 0.00 O +ATOM 20163 HW1 SOL 6197 2.810 19.200 13.980 1.00 0.00 H +ATOM 20164 HW2 SOL 6197 1.430 18.760 14.410 1.00 0.00 H +ATOM 20165 OW SOL 6198 64.450 55.800 18.520 1.00 0.00 O +ATOM 20166 HW1 SOL 6198 63.590 55.380 18.500 1.00 0.00 H +ATOM 20167 HW2 SOL 6198 64.690 55.790 19.440 1.00 0.00 H +ATOM 20168 OW SOL 6199 42.210 52.460 45.130 1.00 0.00 O +ATOM 20169 HW1 SOL 6199 42.440 52.600 46.050 1.00 0.00 H +ATOM 20170 HW2 SOL 6199 41.830 51.580 45.100 1.00 0.00 H +ATOM 20171 OW SOL 6200 42.750 26.650 43.010 1.00 0.00 O +ATOM 20172 HW1 SOL 6200 42.840 25.710 42.870 1.00 0.00 H +ATOM 20173 HW2 SOL 6200 41.800 26.810 42.980 1.00 0.00 H +ATOM 20174 OW SOL 6201 5.190 57.030 11.010 1.00 0.00 O +ATOM 20175 HW1 SOL 6201 4.690 57.740 10.600 1.00 0.00 H +ATOM 20176 HW2 SOL 6201 4.540 56.550 11.520 1.00 0.00 H +ATOM 20177 OW SOL 6202 31.390 28.790 29.660 1.00 0.00 O +ATOM 20178 HW1 SOL 6202 31.730 28.050 30.150 1.00 0.00 H +ATOM 20179 HW2 SOL 6202 30.440 28.640 29.620 1.00 0.00 H +ATOM 20180 OW SOL 6203 57.570 51.760 33.230 1.00 0.00 O +ATOM 20181 HW1 SOL 6203 57.290 52.310 32.500 1.00 0.00 H +ATOM 20182 HW2 SOL 6203 56.800 51.240 33.450 1.00 0.00 H +ATOM 20183 OW SOL 6204 19.720 28.910 35.720 1.00 0.00 O +ATOM 20184 HW1 SOL 6204 18.840 28.850 36.080 1.00 0.00 H +ATOM 20185 HW2 SOL 6204 20.280 28.510 36.370 1.00 0.00 H +ATOM 20186 OW SOL 6205 0.025 31.680 21.330 1.00 0.00 O +ATOM 20187 HW1 SOL 6205 -0.195 32.500 21.770 1.00 0.00 H +ATOM 20188 HW2 SOL 6205 -0.105 31.850 20.400 1.00 0.00 H +ATOM 20189 OW SOL 6206 0.530 16.560 39.720 1.00 0.00 O +ATOM 20190 HW1 SOL 6206 0.890 17.260 40.270 1.00 0.00 H +ATOM 20191 HW2 SOL 6206 -0.270 16.290 40.170 1.00 0.00 H +ATOM 20192 OW SOL 6207 56.380 15.870 22.500 1.00 0.00 O +ATOM 20193 HW1 SOL 6207 56.670 16.430 23.210 1.00 0.00 H +ATOM 20194 HW2 SOL 6207 57.010 16.030 21.800 1.00 0.00 H +ATOM 20195 OW SOL 6208 11.360 36.310 26.490 1.00 0.00 O +ATOM 20196 HW1 SOL 6208 11.000 36.070 25.630 1.00 0.00 H +ATOM 20197 HW2 SOL 6208 11.110 37.220 26.610 1.00 0.00 H +ATOM 20198 OW SOL 6209 65.540 42.000 37.550 1.00 0.00 O +ATOM 20199 HW1 SOL 6209 65.410 41.390 38.280 1.00 0.00 H +ATOM 20200 HW2 SOL 6209 64.720 42.490 37.500 1.00 0.00 H +ATOM 20201 OW SOL 6210 53.520 26.010 50.510 1.00 0.00 O +ATOM 20202 HW1 SOL 6210 53.670 26.080 49.570 1.00 0.00 H +ATOM 20203 HW2 SOL 6210 54.020 26.740 50.880 1.00 0.00 H +ATOM 20204 OW SOL 6211 37.840 4.350 16.750 1.00 0.00 O +ATOM 20205 HW1 SOL 6211 38.610 4.700 17.200 1.00 0.00 H +ATOM 20206 HW2 SOL 6211 37.590 3.570 17.250 1.00 0.00 H +ATOM 20207 OW SOL 6212 0.145 5.410 13.730 1.00 0.00 O +ATOM 20208 HW1 SOL 6212 -0.295 6.240 13.600 1.00 0.00 H +ATOM 20209 HW2 SOL 6212 -0.275 5.030 14.500 1.00 0.00 H +ATOM 20210 OW SOL 6213 13.400 29.990 44.670 1.00 0.00 O +ATOM 20211 HW1 SOL 6213 13.130 30.300 43.810 1.00 0.00 H +ATOM 20212 HW2 SOL 6213 12.960 29.150 44.770 1.00 0.00 H +ATOM 20213 OW SOL 6214 18.200 20.430 19.930 1.00 0.00 O +ATOM 20214 HW1 SOL 6214 18.110 19.600 19.470 1.00 0.00 H +ATOM 20215 HW2 SOL 6214 18.450 21.060 19.250 1.00 0.00 H +ATOM 20216 OW SOL 6215 54.920 22.580 30.410 1.00 0.00 O +ATOM 20217 HW1 SOL 6215 54.910 22.690 29.460 1.00 0.00 H +ATOM 20218 HW2 SOL 6215 55.820 22.760 30.670 1.00 0.00 H +ATOM 20219 OW SOL 6216 46.440 3.510 15.620 1.00 0.00 O +ATOM 20220 HW1 SOL 6216 47.030 2.800 15.380 1.00 0.00 H +ATOM 20221 HW2 SOL 6216 47.000 4.170 16.020 1.00 0.00 H +ATOM 20222 OW SOL 6217 11.280 50.910 3.810 1.00 0.00 O +ATOM 20223 HW1 SOL 6217 11.250 51.150 4.730 1.00 0.00 H +ATOM 20224 HW2 SOL 6217 11.280 51.750 3.340 1.00 0.00 H +ATOM 20225 OW SOL 6218 45.800 39.470 31.180 1.00 0.00 O +ATOM 20226 HW1 SOL 6218 46.290 39.140 31.930 1.00 0.00 H +ATOM 20227 HW2 SOL 6218 46.150 38.970 30.440 1.00 0.00 H +ATOM 20228 OW SOL 6219 51.100 2.430 15.730 1.00 0.00 O +ATOM 20229 HW1 SOL 6219 51.020 1.560 15.340 1.00 0.00 H +ATOM 20230 HW2 SOL 6219 50.210 2.790 15.720 1.00 0.00 H +ATOM 20231 OW SOL 6220 31.890 23.340 37.430 1.00 0.00 O +ATOM 20232 HW1 SOL 6220 32.090 23.690 38.290 1.00 0.00 H +ATOM 20233 HW2 SOL 6220 31.990 22.390 37.520 1.00 0.00 H +ATOM 20234 OW SOL 6221 11.750 38.880 20.570 1.00 0.00 O +ATOM 20235 HW1 SOL 6221 12.440 39.530 20.670 1.00 0.00 H +ATOM 20236 HW2 SOL 6221 11.010 39.380 20.200 1.00 0.00 H +ATOM 20237 OW SOL 6222 23.080 60.260 51.350 1.00 0.00 O +ATOM 20238 HW1 SOL 6222 23.030 60.530 50.430 1.00 0.00 H +ATOM 20239 HW2 SOL 6222 22.280 60.620 51.740 1.00 0.00 H +ATOM 20240 OW SOL 6223 31.010 10.680 8.490 1.00 0.00 O +ATOM 20241 HW1 SOL 6223 30.180 10.820 8.040 1.00 0.00 H +ATOM 20242 HW2 SOL 6223 31.330 11.560 8.680 1.00 0.00 H +ATOM 20243 OW SOL 6224 35.210 56.210 49.870 1.00 0.00 O +ATOM 20244 HW1 SOL 6224 35.800 55.500 50.120 1.00 0.00 H +ATOM 20245 HW2 SOL 6224 35.040 56.060 48.940 1.00 0.00 H +ATOM 20246 OW SOL 6225 27.020 3.360 23.840 1.00 0.00 O +ATOM 20247 HW1 SOL 6225 27.740 3.980 23.670 1.00 0.00 H +ATOM 20248 HW2 SOL 6225 26.280 3.710 23.350 1.00 0.00 H +ATOM 20249 OW SOL 6226 8.250 41.740 36.690 1.00 0.00 O +ATOM 20250 HW1 SOL 6226 8.620 42.610 36.870 1.00 0.00 H +ATOM 20251 HW2 SOL 6226 8.920 41.300 36.170 1.00 0.00 H +ATOM 20252 OW SOL 6227 47.280 20.040 8.070 1.00 0.00 O +ATOM 20253 HW1 SOL 6227 46.520 20.480 7.710 1.00 0.00 H +ATOM 20254 HW2 SOL 6227 46.920 19.300 8.570 1.00 0.00 H +ATOM 20255 OW SOL 6228 49.820 9.310 13.950 1.00 0.00 O +ATOM 20256 HW1 SOL 6228 49.690 8.700 13.220 1.00 0.00 H +ATOM 20257 HW2 SOL 6228 48.930 9.550 14.220 1.00 0.00 H +ATOM 20258 OW SOL 6229 60.970 23.310 10.110 1.00 0.00 O +ATOM 20259 HW1 SOL 6229 61.530 22.770 10.670 1.00 0.00 H +ATOM 20260 HW2 SOL 6229 61.580 23.730 9.500 1.00 0.00 H +ATOM 20261 OW SOL 6230 1.070 41.280 51.290 1.00 0.00 O +ATOM 20262 HW1 SOL 6230 2.010 41.260 51.140 1.00 0.00 H +ATOM 20263 HW2 SOL 6230 0.950 41.940 51.980 1.00 0.00 H +ATOM 20264 OW SOL 6231 16.910 21.720 0.420 1.00 0.00 O +ATOM 20265 HW1 SOL 6231 16.410 22.490 0.680 1.00 0.00 H +ATOM 20266 HW2 SOL 6231 17.820 21.940 0.640 1.00 0.00 H +ATOM 20267 OW SOL 6232 13.620 24.690 23.040 1.00 0.00 O +ATOM 20268 HW1 SOL 6232 13.640 25.650 23.010 1.00 0.00 H +ATOM 20269 HW2 SOL 6232 12.750 24.480 23.390 1.00 0.00 H +ATOM 20270 OW SOL 6233 9.660 43.550 1.530 1.00 0.00 O +ATOM 20271 HW1 SOL 6233 10.150 44.340 1.750 1.00 0.00 H +ATOM 20272 HW2 SOL 6233 10.230 43.080 0.920 1.00 0.00 H +ATOM 20273 OW SOL 6234 2.060 49.700 16.190 1.00 0.00 O +ATOM 20274 HW1 SOL 6234 1.950 50.650 16.280 1.00 0.00 H +ATOM 20275 HW2 SOL 6234 1.660 49.340 16.980 1.00 0.00 H +ATOM 20276 OW SOL 6235 24.190 21.900 12.390 1.00 0.00 O +ATOM 20277 HW1 SOL 6235 23.240 21.870 12.370 1.00 0.00 H +ATOM 20278 HW2 SOL 6235 24.420 21.630 13.280 1.00 0.00 H +ATOM 20279 OW SOL 6236 9.570 28.420 49.740 1.00 0.00 O +ATOM 20280 HW1 SOL 6236 8.860 29.040 49.890 1.00 0.00 H +ATOM 20281 HW2 SOL 6236 10.340 28.830 50.120 1.00 0.00 H +ATOM 20282 OW SOL 6237 7.300 54.440 42.200 1.00 0.00 O +ATOM 20283 HW1 SOL 6237 7.310 54.420 41.240 1.00 0.00 H +ATOM 20284 HW2 SOL 6237 8.190 54.180 42.460 1.00 0.00 H +ATOM 20285 OW SOL 6238 53.220 38.230 29.970 1.00 0.00 O +ATOM 20286 HW1 SOL 6238 53.910 38.500 29.370 1.00 0.00 H +ATOM 20287 HW2 SOL 6238 53.530 37.410 30.360 1.00 0.00 H +ATOM 20288 OW SOL 6239 57.700 26.990 49.240 1.00 0.00 O +ATOM 20289 HW1 SOL 6239 58.610 27.270 49.320 1.00 0.00 H +ATOM 20290 HW2 SOL 6239 57.750 26.040 49.090 1.00 0.00 H +ATOM 20291 OW SOL 6240 31.380 16.140 18.410 1.00 0.00 O +ATOM 20292 HW1 SOL 6240 30.510 16.530 18.370 1.00 0.00 H +ATOM 20293 HW2 SOL 6240 31.980 16.870 18.270 1.00 0.00 H +ATOM 20294 OW SOL 6241 13.800 14.410 37.450 1.00 0.00 O +ATOM 20295 HW1 SOL 6241 14.510 13.870 37.790 1.00 0.00 H +ATOM 20296 HW2 SOL 6241 13.210 14.520 38.200 1.00 0.00 H +ATOM 20297 OW SOL 6242 50.980 8.480 42.960 1.00 0.00 O +ATOM 20298 HW1 SOL 6242 51.570 8.950 43.550 1.00 0.00 H +ATOM 20299 HW2 SOL 6242 50.970 9.020 42.170 1.00 0.00 H +ATOM 20300 OW SOL 6243 22.070 17.470 49.210 1.00 0.00 O +ATOM 20301 HW1 SOL 6243 22.580 17.230 49.980 1.00 0.00 H +ATOM 20302 HW2 SOL 6243 22.100 16.690 48.650 1.00 0.00 H +ATOM 20303 OW SOL 6244 14.380 45.650 7.070 1.00 0.00 O +ATOM 20304 HW1 SOL 6244 14.820 44.810 7.140 1.00 0.00 H +ATOM 20305 HW2 SOL 6244 14.360 45.990 7.960 1.00 0.00 H +ATOM 20306 OW SOL 6245 16.770 44.980 18.350 1.00 0.00 O +ATOM 20307 HW1 SOL 6245 17.010 44.320 18.990 1.00 0.00 H +ATOM 20308 HW2 SOL 6245 16.910 45.820 18.800 1.00 0.00 H +ATOM 20309 OW SOL 6246 39.480 19.030 1.870 1.00 0.00 O +ATOM 20310 HW1 SOL 6246 39.790 19.070 0.960 1.00 0.00 H +ATOM 20311 HW2 SOL 6246 39.240 18.110 2.000 1.00 0.00 H +ATOM 20312 OW SOL 6247 8.180 29.580 13.800 1.00 0.00 O +ATOM 20313 HW1 SOL 6247 8.010 30.490 13.590 1.00 0.00 H +ATOM 20314 HW2 SOL 6247 8.710 29.610 14.590 1.00 0.00 H +ATOM 20315 OW SOL 6248 57.740 53.860 44.570 1.00 0.00 O +ATOM 20316 HW1 SOL 6248 58.630 53.780 44.910 1.00 0.00 H +ATOM 20317 HW2 SOL 6248 57.610 54.810 44.450 1.00 0.00 H +ATOM 20318 OW SOL 6249 55.970 3.670 3.680 1.00 0.00 O +ATOM 20319 HW1 SOL 6249 56.200 3.360 2.810 1.00 0.00 H +ATOM 20320 HW2 SOL 6249 55.160 4.160 3.570 1.00 0.00 H +ATOM 20321 OW SOL 6250 52.990 53.130 49.580 1.00 0.00 O +ATOM 20322 HW1 SOL 6250 53.880 52.800 49.430 1.00 0.00 H +ATOM 20323 HW2 SOL 6250 52.640 52.590 50.290 1.00 0.00 H +ATOM 20324 OW SOL 6251 31.550 2.430 51.400 1.00 0.00 O +ATOM 20325 HW1 SOL 6251 30.940 2.200 52.100 1.00 0.00 H +ATOM 20326 HW2 SOL 6251 32.370 2.630 51.860 1.00 0.00 H +ATOM 20327 OW SOL 6252 42.460 45.930 34.660 1.00 0.00 O +ATOM 20328 HW1 SOL 6252 43.090 45.960 33.940 1.00 0.00 H +ATOM 20329 HW2 SOL 6252 42.960 46.210 35.430 1.00 0.00 H +ATOM 20330 OW SOL 6253 57.080 36.750 51.650 1.00 0.00 O +ATOM 20331 HW1 SOL 6253 56.910 35.810 51.660 1.00 0.00 H +ATOM 20332 HW2 SOL 6253 56.630 37.080 52.430 1.00 0.00 H +ATOM 20333 OW SOL 6254 51.500 4.680 24.320 1.00 0.00 O +ATOM 20334 HW1 SOL 6254 51.380 4.360 25.210 1.00 0.00 H +ATOM 20335 HW2 SOL 6254 52.370 5.060 24.310 1.00 0.00 H +ATOM 20336 OW SOL 6255 62.370 28.410 26.660 1.00 0.00 O +ATOM 20337 HW1 SOL 6255 62.920 28.860 26.020 1.00 0.00 H +ATOM 20338 HW2 SOL 6255 62.860 27.620 26.880 1.00 0.00 H +ATOM 20339 OW SOL 6256 31.700 54.950 45.020 1.00 0.00 O +ATOM 20340 HW1 SOL 6256 31.380 55.810 44.740 1.00 0.00 H +ATOM 20341 HW2 SOL 6256 32.120 54.590 44.230 1.00 0.00 H +ATOM 20342 OW SOL 6257 55.700 44.630 11.080 1.00 0.00 O +ATOM 20343 HW1 SOL 6257 56.430 45.230 11.250 1.00 0.00 H +ATOM 20344 HW2 SOL 6257 55.700 44.030 11.830 1.00 0.00 H +ATOM 20345 OW SOL 6258 64.390 54.460 43.250 1.00 0.00 O +ATOM 20346 HW1 SOL 6258 63.710 53.940 42.820 1.00 0.00 H +ATOM 20347 HW2 SOL 6258 64.070 55.360 43.210 1.00 0.00 H +ATOM 20348 OW SOL 6259 61.090 55.850 46.800 1.00 0.00 O +ATOM 20349 HW1 SOL 6259 61.760 56.320 47.300 1.00 0.00 H +ATOM 20350 HW2 SOL 6259 61.080 54.970 47.180 1.00 0.00 H +ATOM 20351 OW SOL 6260 37.130 47.180 44.620 1.00 0.00 O +ATOM 20352 HW1 SOL 6260 37.850 46.570 44.490 1.00 0.00 H +ATOM 20353 HW2 SOL 6260 36.410 46.630 44.950 1.00 0.00 H +ATOM 20354 OW SOL 6261 63.660 50.310 29.790 1.00 0.00 O +ATOM 20355 HW1 SOL 6261 63.400 50.210 30.700 1.00 0.00 H +ATOM 20356 HW2 SOL 6261 63.790 51.260 29.680 1.00 0.00 H +ATOM 20357 OW SOL 6262 47.820 12.680 16.470 1.00 0.00 O +ATOM 20358 HW1 SOL 6262 48.550 13.210 16.800 1.00 0.00 H +ATOM 20359 HW2 SOL 6262 47.860 12.780 15.520 1.00 0.00 H +ATOM 20360 OW SOL 6263 34.510 48.610 49.420 1.00 0.00 O +ATOM 20361 HW1 SOL 6263 33.740 48.610 48.870 1.00 0.00 H +ATOM 20362 HW2 SOL 6263 35.030 47.860 49.120 1.00 0.00 H +ATOM 20363 OW SOL 6264 9.930 30.620 6.040 1.00 0.00 O +ATOM 20364 HW1 SOL 6264 9.710 31.350 5.470 1.00 0.00 H +ATOM 20365 HW2 SOL 6264 10.820 30.370 5.780 1.00 0.00 H +ATOM 20366 OW SOL 6265 50.920 58.630 10.760 1.00 0.00 O +ATOM 20367 HW1 SOL 6265 50.130 58.140 10.990 1.00 0.00 H +ATOM 20368 HW2 SOL 6265 51.500 58.520 11.510 1.00 0.00 H +ATOM 20369 OW SOL 6266 35.110 39.840 11.340 1.00 0.00 O +ATOM 20370 HW1 SOL 6266 35.820 39.210 11.510 1.00 0.00 H +ATOM 20371 HW2 SOL 6266 35.530 40.700 11.440 1.00 0.00 H +ATOM 20372 OW SOL 6267 35.460 28.730 11.110 1.00 0.00 O +ATOM 20373 HW1 SOL 6267 36.230 29.250 11.340 1.00 0.00 H +ATOM 20374 HW2 SOL 6267 35.460 28.720 10.150 1.00 0.00 H +ATOM 20375 OW SOL 6268 42.010 9.290 3.500 1.00 0.00 O +ATOM 20376 HW1 SOL 6268 42.840 9.500 3.070 1.00 0.00 H +ATOM 20377 HW2 SOL 6268 41.360 9.330 2.790 1.00 0.00 H +ATOM 20378 OW SOL 6269 24.410 8.180 35.650 1.00 0.00 O +ATOM 20379 HW1 SOL 6269 23.680 8.630 36.080 1.00 0.00 H +ATOM 20380 HW2 SOL 6269 24.440 7.320 36.060 1.00 0.00 H +ATOM 20381 OW SOL 6270 33.200 8.140 53.260 1.00 0.00 O +ATOM 20382 HW1 SOL 6270 32.730 8.560 53.980 1.00 0.00 H +ATOM 20383 HW2 SOL 6270 33.070 8.730 52.520 1.00 0.00 H +ATOM 20384 OW SOL 6271 44.130 57.740 35.500 1.00 0.00 O +ATOM 20385 HW1 SOL 6271 43.620 58.160 34.810 1.00 0.00 H +ATOM 20386 HW2 SOL 6271 44.730 58.420 35.810 1.00 0.00 H +ATOM 20387 OW SOL 6272 1.470 4.880 7.270 1.00 0.00 O +ATOM 20388 HW1 SOL 6272 1.150 5.640 6.790 1.00 0.00 H +ATOM 20389 HW2 SOL 6272 1.220 5.060 8.180 1.00 0.00 H +ATOM 20390 OW SOL 6273 59.220 37.400 29.810 1.00 0.00 O +ATOM 20391 HW1 SOL 6273 59.560 36.530 30.000 1.00 0.00 H +ATOM 20392 HW2 SOL 6273 58.880 37.330 28.910 1.00 0.00 H +ATOM 20393 OW SOL 6274 20.360 20.200 21.510 1.00 0.00 O +ATOM 20394 HW1 SOL 6274 20.570 19.460 20.930 1.00 0.00 H +ATOM 20395 HW2 SOL 6274 19.490 20.480 21.230 1.00 0.00 H +ATOM 20396 OW SOL 6275 10.310 41.430 19.080 1.00 0.00 O +ATOM 20397 HW1 SOL 6275 9.810 41.990 19.670 1.00 0.00 H +ATOM 20398 HW2 SOL 6275 10.800 42.040 18.530 1.00 0.00 H +ATOM 20399 OW SOL 6276 43.030 55.620 15.170 1.00 0.00 O +ATOM 20400 HW1 SOL 6276 42.880 55.240 16.040 1.00 0.00 H +ATOM 20401 HW2 SOL 6276 42.210 56.040 14.940 1.00 0.00 H +ATOM 20402 OW SOL 6277 51.580 24.870 8.780 1.00 0.00 O +ATOM 20403 HW1 SOL 6277 52.500 24.810 8.520 1.00 0.00 H +ATOM 20404 HW2 SOL 6277 51.270 23.960 8.770 1.00 0.00 H +ATOM 20405 OW SOL 6278 6.960 11.000 10.950 1.00 0.00 O +ATOM 20406 HW1 SOL 6278 6.220 10.480 11.280 1.00 0.00 H +ATOM 20407 HW2 SOL 6278 7.620 10.350 10.710 1.00 0.00 H +ATOM 20408 OW SOL 6279 1.060 23.810 46.650 1.00 0.00 O +ATOM 20409 HW1 SOL 6279 1.440 22.930 46.730 1.00 0.00 H +ATOM 20410 HW2 SOL 6279 1.010 24.130 47.550 1.00 0.00 H +ATOM 20411 OW SOL 6280 57.490 29.670 13.970 1.00 0.00 O +ATOM 20412 HW1 SOL 6280 56.580 29.730 14.270 1.00 0.00 H +ATOM 20413 HW2 SOL 6280 57.460 29.010 13.270 1.00 0.00 H +ATOM 20414 OW SOL 6281 44.710 61.720 48.670 1.00 0.00 O +ATOM 20415 HW1 SOL 6281 45.580 61.990 48.370 1.00 0.00 H +ATOM 20416 HW2 SOL 6281 44.140 61.820 47.910 1.00 0.00 H +ATOM 20417 OW SOL 6282 52.960 14.460 23.860 1.00 0.00 O +ATOM 20418 HW1 SOL 6282 53.830 14.150 24.090 1.00 0.00 H +ATOM 20419 HW2 SOL 6282 52.640 14.890 24.650 1.00 0.00 H +ATOM 20420 OW SOL 6283 53.280 20.190 33.420 1.00 0.00 O +ATOM 20421 HW1 SOL 6283 52.710 20.730 32.880 1.00 0.00 H +ATOM 20422 HW2 SOL 6283 54.170 20.450 33.170 1.00 0.00 H +ATOM 20423 OW SOL 6284 13.870 58.860 5.190 1.00 0.00 O +ATOM 20424 HW1 SOL 6284 14.050 59.710 5.600 1.00 0.00 H +ATOM 20425 HW2 SOL 6284 13.430 59.080 4.370 1.00 0.00 H +ATOM 20426 OW SOL 6285 59.900 13.450 10.240 1.00 0.00 O +ATOM 20427 HW1 SOL 6285 60.790 13.360 9.890 1.00 0.00 H +ATOM 20428 HW2 SOL 6285 59.340 13.060 9.570 1.00 0.00 H +ATOM 20429 OW SOL 6286 41.560 46.880 19.650 1.00 0.00 O +ATOM 20430 HW1 SOL 6286 40.920 47.310 19.080 1.00 0.00 H +ATOM 20431 HW2 SOL 6286 41.370 47.240 20.520 1.00 0.00 H +ATOM 20432 OW SOL 6287 4.300 11.780 17.840 1.00 0.00 O +ATOM 20433 HW1 SOL 6287 4.560 12.640 18.160 1.00 0.00 H +ATOM 20434 HW2 SOL 6287 3.810 11.380 18.560 1.00 0.00 H +ATOM 20435 OW SOL 6288 47.820 38.520 17.420 1.00 0.00 O +ATOM 20436 HW1 SOL 6288 48.650 38.540 17.890 1.00 0.00 H +ATOM 20437 HW2 SOL 6288 47.890 37.750 16.840 1.00 0.00 H +ATOM 20438 OW SOL 6289 51.790 54.020 41.410 1.00 0.00 O +ATOM 20439 HW1 SOL 6289 52.690 54.220 41.140 1.00 0.00 H +ATOM 20440 HW2 SOL 6289 51.350 54.870 41.430 1.00 0.00 H +ATOM 20441 OW SOL 6290 37.760 11.300 41.320 1.00 0.00 O +ATOM 20442 HW1 SOL 6290 37.200 10.670 40.870 1.00 0.00 H +ATOM 20443 HW2 SOL 6290 37.490 12.160 40.980 1.00 0.00 H +ATOM 20444 OW SOL 6291 61.340 49.570 18.320 1.00 0.00 O +ATOM 20445 HW1 SOL 6291 61.150 48.650 18.490 1.00 0.00 H +ATOM 20446 HW2 SOL 6291 61.160 49.680 17.390 1.00 0.00 H +ATOM 20447 OW SOL 6292 34.860 39.430 45.110 1.00 0.00 O +ATOM 20448 HW1 SOL 6292 34.760 39.780 44.230 1.00 0.00 H +ATOM 20449 HW2 SOL 6292 35.020 40.200 45.660 1.00 0.00 H +ATOM 20450 OW SOL 6293 32.230 45.610 47.690 1.00 0.00 O +ATOM 20451 HW1 SOL 6293 32.130 45.910 46.780 1.00 0.00 H +ATOM 20452 HW2 SOL 6293 31.390 45.200 47.900 1.00 0.00 H +ATOM 20453 OW SOL 6294 49.860 13.620 33.770 1.00 0.00 O +ATOM 20454 HW1 SOL 6294 49.560 14.530 33.880 1.00 0.00 H +ATOM 20455 HW2 SOL 6294 50.710 13.700 33.340 1.00 0.00 H +ATOM 20456 OW SOL 6295 33.870 12.430 4.940 1.00 0.00 O +ATOM 20457 HW1 SOL 6295 33.870 11.480 4.790 1.00 0.00 H +ATOM 20458 HW2 SOL 6295 33.690 12.810 4.080 1.00 0.00 H +ATOM 20459 OW SOL 6296 2.000 12.980 28.870 1.00 0.00 O +ATOM 20460 HW1 SOL 6296 2.460 12.140 28.780 1.00 0.00 H +ATOM 20461 HW2 SOL 6296 1.150 12.820 28.470 1.00 0.00 H +ATOM 20462 OW SOL 6297 36.370 60.470 50.280 1.00 0.00 O +ATOM 20463 HW1 SOL 6297 35.970 60.590 49.420 1.00 0.00 H +ATOM 20464 HW2 SOL 6297 37.310 60.450 50.110 1.00 0.00 H +ATOM 20465 OW SOL 6298 21.530 19.410 47.020 1.00 0.00 O +ATOM 20466 HW1 SOL 6298 21.530 18.650 47.610 1.00 0.00 H +ATOM 20467 HW2 SOL 6298 22.450 19.660 46.950 1.00 0.00 H +ATOM 20468 OW SOL 6299 27.112 42.889 0.225 1.00 0.00 O +ATOM 20469 HW1 SOL 6299 26.222 43.049 -0.085 1.00 0.00 H +ATOM 20470 HW2 SOL 6299 27.562 42.519 -0.535 1.00 0.00 H +ATOM 20471 OW SOL 6300 18.990 32.420 43.470 1.00 0.00 O +ATOM 20472 HW1 SOL 6300 19.670 31.770 43.650 1.00 0.00 H +ATOM 20473 HW2 SOL 6300 18.680 32.190 42.590 1.00 0.00 H +ATOM 20474 OW SOL 6301 23.340 21.950 47.870 1.00 0.00 O +ATOM 20475 HW1 SOL 6301 23.890 21.170 47.980 1.00 0.00 H +ATOM 20476 HW2 SOL 6301 23.520 22.240 46.980 1.00 0.00 H +ATOM 20477 OW SOL 6302 40.180 26.930 22.050 1.00 0.00 O +ATOM 20478 HW1 SOL 6302 39.270 27.010 22.330 1.00 0.00 H +ATOM 20479 HW2 SOL 6302 40.340 25.990 22.030 1.00 0.00 H +ATOM 20480 OW SOL 6303 18.720 4.500 5.130 1.00 0.00 O +ATOM 20481 HW1 SOL 6303 18.990 4.000 4.360 1.00 0.00 H +ATOM 20482 HW2 SOL 6303 18.110 5.150 4.800 1.00 0.00 H +ATOM 20483 OW SOL 6304 45.630 55.630 29.490 1.00 0.00 O +ATOM 20484 HW1 SOL 6304 45.400 54.900 28.920 1.00 0.00 H +ATOM 20485 HW2 SOL 6304 44.790 56.030 29.720 1.00 0.00 H +ATOM 20486 OW SOL 6305 37.650 30.330 12.080 1.00 0.00 O +ATOM 20487 HW1 SOL 6305 38.110 30.540 12.890 1.00 0.00 H +ATOM 20488 HW2 SOL 6305 38.300 29.850 11.550 1.00 0.00 H +ATOM 20489 OW SOL 6306 26.940 59.640 42.780 1.00 0.00 O +ATOM 20490 HW1 SOL 6306 27.400 58.800 42.720 1.00 0.00 H +ATOM 20491 HW2 SOL 6306 27.490 60.250 42.300 1.00 0.00 H +ATOM 20492 OW SOL 6307 51.660 8.050 16.050 1.00 0.00 O +ATOM 20493 HW1 SOL 6307 52.170 7.250 16.200 1.00 0.00 H +ATOM 20494 HW2 SOL 6307 51.930 8.360 15.180 1.00 0.00 H +ATOM 20495 OW SOL 6308 6.250 53.630 51.860 1.00 0.00 O +ATOM 20496 HW1 SOL 6308 5.420 54.030 51.580 1.00 0.00 H +ATOM 20497 HW2 SOL 6308 6.930 54.140 51.420 1.00 0.00 H +ATOM 20498 OW SOL 6309 34.560 5.280 14.070 1.00 0.00 O +ATOM 20499 HW1 SOL 6309 33.960 6.020 13.950 1.00 0.00 H +ATOM 20500 HW2 SOL 6309 34.910 5.400 14.950 1.00 0.00 H +ATOM 20501 OW SOL 6310 47.730 11.910 6.460 1.00 0.00 O +ATOM 20502 HW1 SOL 6310 46.830 12.200 6.290 1.00 0.00 H +ATOM 20503 HW2 SOL 6310 48.160 11.980 5.610 1.00 0.00 H +ATOM 20504 OW SOL 6311 63.530 6.270 49.420 1.00 0.00 O +ATOM 20505 HW1 SOL 6311 62.960 5.570 49.100 1.00 0.00 H +ATOM 20506 HW2 SOL 6311 63.400 6.980 48.790 1.00 0.00 H +ATOM 20507 OW SOL 6312 55.160 46.970 8.970 1.00 0.00 O +ATOM 20508 HW1 SOL 6312 55.590 46.570 9.720 1.00 0.00 H +ATOM 20509 HW2 SOL 6312 55.570 47.830 8.880 1.00 0.00 H +ATOM 20510 OW SOL 6313 44.910 24.220 13.010 1.00 0.00 O +ATOM 20511 HW1 SOL 6313 44.170 24.110 13.610 1.00 0.00 H +ATOM 20512 HW2 SOL 6313 45.650 24.450 13.570 1.00 0.00 H +ATOM 20513 OW SOL 6314 20.880 34.220 11.340 1.00 0.00 O +ATOM 20514 HW1 SOL 6314 21.460 33.460 11.360 1.00 0.00 H +ATOM 20515 HW2 SOL 6314 20.530 34.280 12.230 1.00 0.00 H +ATOM 20516 OW SOL 6315 20.370 42.710 16.610 1.00 0.00 O +ATOM 20517 HW1 SOL 6315 20.360 42.590 17.560 1.00 0.00 H +ATOM 20518 HW2 SOL 6315 21.020 42.090 16.290 1.00 0.00 H +ATOM 20519 OW SOL 6316 21.139 61.752 52.410 1.00 0.00 O +ATOM 20520 HW1 SOL 6316 21.249 62.682 52.600 1.00 0.00 H +ATOM 20521 HW2 SOL 6316 20.359 61.702 51.860 1.00 0.00 H +ATOM 20522 OW SOL 6317 52.820 19.880 39.340 1.00 0.00 O +ATOM 20523 HW1 SOL 6317 52.700 19.560 40.230 1.00 0.00 H +ATOM 20524 HW2 SOL 6317 52.930 20.830 39.450 1.00 0.00 H +ATOM 20525 OW SOL 6318 55.100 8.080 35.200 1.00 0.00 O +ATOM 20526 HW1 SOL 6318 54.820 7.170 35.280 1.00 0.00 H +ATOM 20527 HW2 SOL 6318 55.920 8.040 34.700 1.00 0.00 H +ATOM 20528 OW SOL 6319 23.870 37.190 14.570 1.00 0.00 O +ATOM 20529 HW1 SOL 6319 24.420 36.650 14.000 1.00 0.00 H +ATOM 20530 HW2 SOL 6319 23.380 37.740 13.960 1.00 0.00 H +ATOM 20531 OW SOL 6320 63.150 13.620 47.560 1.00 0.00 O +ATOM 20532 HW1 SOL 6320 64.060 13.840 47.380 1.00 0.00 H +ATOM 20533 HW2 SOL 6320 62.680 14.440 47.410 1.00 0.00 H +ATOM 20534 OW SOL 6321 9.860 52.300 44.260 1.00 0.00 O +ATOM 20535 HW1 SOL 6321 8.940 52.050 44.320 1.00 0.00 H +ATOM 20536 HW2 SOL 6321 10.340 51.600 44.700 1.00 0.00 H +ATOM 20537 OW SOL 6322 17.420 27.950 24.020 1.00 0.00 O +ATOM 20538 HW1 SOL 6322 17.020 28.720 23.600 1.00 0.00 H +ATOM 20539 HW2 SOL 6322 17.090 27.990 24.920 1.00 0.00 H +ATOM 20540 OW SOL 6323 5.810 41.130 15.200 1.00 0.00 O +ATOM 20541 HW1 SOL 6323 5.330 40.710 14.480 1.00 0.00 H +ATOM 20542 HW2 SOL 6323 5.760 40.500 15.920 1.00 0.00 H +ATOM 20543 OW SOL 6324 18.970 31.610 15.640 1.00 0.00 O +ATOM 20544 HW1 SOL 6324 19.840 31.390 15.310 1.00 0.00 H +ATOM 20545 HW2 SOL 6324 18.950 32.560 15.650 1.00 0.00 H +ATOM 20546 OW SOL 6325 33.370 57.240 41.650 1.00 0.00 O +ATOM 20547 HW1 SOL 6325 33.980 57.930 41.370 1.00 0.00 H +ATOM 20548 HW2 SOL 6325 33.530 57.150 42.590 1.00 0.00 H +ATOM 20549 OW SOL 6326 26.310 59.850 9.250 1.00 0.00 O +ATOM 20550 HW1 SOL 6326 26.090 60.740 8.980 1.00 0.00 H +ATOM 20551 HW2 SOL 6326 25.720 59.670 9.990 1.00 0.00 H +ATOM 20552 OW SOL 6327 16.840 32.960 23.870 1.00 0.00 O +ATOM 20553 HW1 SOL 6327 16.590 33.190 24.760 1.00 0.00 H +ATOM 20554 HW2 SOL 6327 17.110 33.800 23.470 1.00 0.00 H +ATOM 20555 OW SOL 6328 8.510 33.940 14.450 1.00 0.00 O +ATOM 20556 HW1 SOL 6328 8.060 33.270 13.930 1.00 0.00 H +ATOM 20557 HW2 SOL 6328 8.990 34.460 13.800 1.00 0.00 H +ATOM 20558 OW SOL 6329 21.520 31.820 14.380 1.00 0.00 O +ATOM 20559 HW1 SOL 6329 22.170 32.410 14.010 1.00 0.00 H +ATOM 20560 HW2 SOL 6329 21.220 31.300 13.640 1.00 0.00 H +ATOM 20561 OW SOL 6330 4.950 13.560 43.340 1.00 0.00 O +ATOM 20562 HW1 SOL 6330 4.940 12.880 44.010 1.00 0.00 H +ATOM 20563 HW2 SOL 6330 5.290 14.330 43.780 1.00 0.00 H +ATOM 20564 OW SOL 6331 54.160 13.920 15.350 1.00 0.00 O +ATOM 20565 HW1 SOL 6331 54.530 13.070 15.130 1.00 0.00 H +ATOM 20566 HW2 SOL 6331 53.240 13.850 15.090 1.00 0.00 H +ATOM 20567 OW SOL 6332 10.020 37.620 52.320 1.00 0.00 O +ATOM 20568 HW1 SOL 6332 10.360 37.620 53.220 1.00 0.00 H +ATOM 20569 HW2 SOL 6332 10.320 38.460 51.960 1.00 0.00 H +ATOM 20570 OW SOL 6333 39.980 32.390 43.270 1.00 0.00 O +ATOM 20571 HW1 SOL 6333 40.660 31.750 43.450 1.00 0.00 H +ATOM 20572 HW2 SOL 6333 39.260 32.170 43.870 1.00 0.00 H +ATOM 20573 OW SOL 6334 11.150 32.520 23.930 1.00 0.00 O +ATOM 20574 HW1 SOL 6334 11.380 33.420 24.150 1.00 0.00 H +ATOM 20575 HW2 SOL 6334 10.630 32.590 23.130 1.00 0.00 H +ATOM 20576 OW SOL 6335 60.020 0.120 49.620 1.00 0.00 O +ATOM 20577 HW1 SOL 6335 60.170 1.040 49.830 1.00 0.00 H +ATOM 20578 HW2 SOL 6335 59.140 0.100 49.240 1.00 0.00 H +ATOM 20579 OW SOL 6336 34.810 22.300 31.880 1.00 0.00 O +ATOM 20580 HW1 SOL 6336 35.500 22.550 31.270 1.00 0.00 H +ATOM 20581 HW2 SOL 6336 34.690 21.360 31.730 1.00 0.00 H +ATOM 20582 OW SOL 6337 65.160 42.270 15.980 1.00 0.00 O +ATOM 20583 HW1 SOL 6337 64.510 42.040 15.310 1.00 0.00 H +ATOM 20584 HW2 SOL 6337 64.700 42.900 16.540 1.00 0.00 H +ATOM 20585 OW SOL 6338 51.970 48.900 31.000 1.00 0.00 O +ATOM 20586 HW1 SOL 6338 52.490 48.160 30.670 1.00 0.00 H +ATOM 20587 HW2 SOL 6338 51.700 48.640 31.880 1.00 0.00 H +ATOM 20588 OW SOL 6339 38.440 14.290 43.830 1.00 0.00 O +ATOM 20589 HW1 SOL 6339 38.000 14.490 43.000 1.00 0.00 H +ATOM 20590 HW2 SOL 6339 38.580 13.350 43.800 1.00 0.00 H +ATOM 20591 OW SOL 6340 39.130 12.770 38.610 1.00 0.00 O +ATOM 20592 HW1 SOL 6340 38.510 13.130 39.240 1.00 0.00 H +ATOM 20593 HW2 SOL 6340 38.620 12.120 38.110 1.00 0.00 H +ATOM 20594 OW SOL 6341 35.180 14.490 32.230 1.00 0.00 O +ATOM 20595 HW1 SOL 6341 35.550 14.960 32.980 1.00 0.00 H +ATOM 20596 HW2 SOL 6341 35.630 13.640 32.240 1.00 0.00 H +ATOM 20597 OW SOL 6342 47.890 18.440 3.620 1.00 0.00 O +ATOM 20598 HW1 SOL 6342 48.580 18.330 4.280 1.00 0.00 H +ATOM 20599 HW2 SOL 6342 47.600 17.550 3.430 1.00 0.00 H +ATOM 20600 OW SOL 6343 56.710 57.880 10.570 1.00 0.00 O +ATOM 20601 HW1 SOL 6343 56.760 58.840 10.530 1.00 0.00 H +ATOM 20602 HW2 SOL 6343 56.640 57.680 11.500 1.00 0.00 H +ATOM 20603 OW SOL 6344 61.310 46.970 16.040 1.00 0.00 O +ATOM 20604 HW1 SOL 6344 61.410 46.950 16.990 1.00 0.00 H +ATOM 20605 HW2 SOL 6344 61.420 47.880 15.790 1.00 0.00 H +ATOM 20606 OW SOL 6345 18.480 5.730 22.430 1.00 0.00 O +ATOM 20607 HW1 SOL 6345 18.310 6.650 22.640 1.00 0.00 H +ATOM 20608 HW2 SOL 6345 19.440 5.660 22.410 1.00 0.00 H +ATOM 20609 OW SOL 6346 7.850 24.370 38.640 1.00 0.00 O +ATOM 20610 HW1 SOL 6346 8.110 23.610 39.160 1.00 0.00 H +ATOM 20611 HW2 SOL 6346 8.360 25.100 39.010 1.00 0.00 H +ATOM 20612 OW SOL 6347 49.690 48.480 1.230 1.00 0.00 O +ATOM 20613 HW1 SOL 6347 50.140 48.320 0.400 1.00 0.00 H +ATOM 20614 HW2 SOL 6347 48.940 49.030 1.000 1.00 0.00 H +ATOM 20615 OW SOL 6348 15.890 29.380 43.480 1.00 0.00 O +ATOM 20616 HW1 SOL 6348 16.440 29.860 44.110 1.00 0.00 H +ATOM 20617 HW2 SOL 6348 15.000 29.500 43.820 1.00 0.00 H +ATOM 20618 OW SOL 6349 57.590 6.370 12.350 1.00 0.00 O +ATOM 20619 HW1 SOL 6349 56.820 6.780 11.960 1.00 0.00 H +ATOM 20620 HW2 SOL 6349 57.640 5.510 11.940 1.00 0.00 H +ATOM 20621 OW SOL 6350 28.370 5.080 18.460 1.00 0.00 O +ATOM 20622 HW1 SOL 6350 28.800 5.630 19.120 1.00 0.00 H +ATOM 20623 HW2 SOL 6350 27.560 5.540 18.250 1.00 0.00 H +ATOM 20624 OW SOL 6351 60.580 30.240 21.480 1.00 0.00 O +ATOM 20625 HW1 SOL 6351 60.140 30.990 21.880 1.00 0.00 H +ATOM 20626 HW2 SOL 6351 59.890 29.580 21.360 1.00 0.00 H +ATOM 20627 OW SOL 6352 33.890 6.160 9.680 1.00 0.00 O +ATOM 20628 HW1 SOL 6352 34.590 6.520 10.240 1.00 0.00 H +ATOM 20629 HW2 SOL 6352 33.380 6.920 9.420 1.00 0.00 H +ATOM 20630 OW SOL 6353 9.950 60.720 52.020 1.00 0.00 O +ATOM 20631 HW1 SOL 6353 9.620 59.830 52.160 1.00 0.00 H +ATOM 20632 HW2 SOL 6353 10.710 60.790 52.600 1.00 0.00 H +ATOM 20633 OW SOL 6354 17.270 45.480 1.580 1.00 0.00 O +ATOM 20634 HW1 SOL 6354 16.790 46.180 2.020 1.00 0.00 H +ATOM 20635 HW2 SOL 6354 17.060 45.590 0.650 1.00 0.00 H +ATOM 20636 OW SOL 6355 17.060 15.520 2.370 1.00 0.00 O +ATOM 20637 HW1 SOL 6355 17.450 15.650 1.500 1.00 0.00 H +ATOM 20638 HW2 SOL 6355 17.760 15.740 2.980 1.00 0.00 H +ATOM 20639 OW SOL 6356 3.360 0.490 4.410 1.00 0.00 O +ATOM 20640 HW1 SOL 6356 4.010 -0.110 4.780 1.00 0.00 H +ATOM 20641 HW2 SOL 6356 3.240 1.160 5.090 1.00 0.00 H +ATOM 20642 OW SOL 6357 46.350 7.910 40.030 1.00 0.00 O +ATOM 20643 HW1 SOL 6357 47.230 8.250 40.170 1.00 0.00 H +ATOM 20644 HW2 SOL 6357 46.440 6.960 40.120 1.00 0.00 H +ATOM 20645 OW SOL 6358 56.130 24.090 49.220 1.00 0.00 O +ATOM 20646 HW1 SOL 6358 55.660 24.780 49.700 1.00 0.00 H +ATOM 20647 HW2 SOL 6358 55.450 23.570 48.810 1.00 0.00 H +ATOM 20648 OW SOL 6359 57.810 22.950 29.970 1.00 0.00 O +ATOM 20649 HW1 SOL 6359 58.690 23.310 29.930 1.00 0.00 H +ATOM 20650 HW2 SOL 6359 57.940 22.000 29.970 1.00 0.00 H +ATOM 20651 OW SOL 6360 10.210 37.700 9.710 1.00 0.00 O +ATOM 20652 HW1 SOL 6360 10.370 36.760 9.620 1.00 0.00 H +ATOM 20653 HW2 SOL 6360 9.870 37.800 10.600 1.00 0.00 H +ATOM 20654 OW SOL 6361 35.860 13.700 48.810 1.00 0.00 O +ATOM 20655 HW1 SOL 6361 35.730 14.630 48.630 1.00 0.00 H +ATOM 20656 HW2 SOL 6361 36.070 13.320 47.950 1.00 0.00 H +ATOM 20657 OW SOL 6362 44.740 58.890 21.370 1.00 0.00 O +ATOM 20658 HW1 SOL 6362 44.580 58.270 22.080 1.00 0.00 H +ATOM 20659 HW2 SOL 6362 44.070 58.690 20.720 1.00 0.00 H +ATOM 20660 OW SOL 6363 32.570 21.880 29.120 1.00 0.00 O +ATOM 20661 HW1 SOL 6363 33.100 22.520 29.590 1.00 0.00 H +ATOM 20662 HW2 SOL 6363 32.900 21.900 28.220 1.00 0.00 H +ATOM 20663 OW SOL 6364 60.360 9.710 4.850 1.00 0.00 O +ATOM 20664 HW1 SOL 6364 60.160 9.170 4.090 1.00 0.00 H +ATOM 20665 HW2 SOL 6364 60.740 10.500 4.490 1.00 0.00 H +ATOM 20666 OW SOL 6365 52.560 42.130 16.520 1.00 0.00 O +ATOM 20667 HW1 SOL 6365 52.570 41.200 16.290 1.00 0.00 H +ATOM 20668 HW2 SOL 6365 53.430 42.450 16.280 1.00 0.00 H +ATOM 20669 OW SOL 6366 63.830 6.820 9.270 1.00 0.00 O +ATOM 20670 HW1 SOL 6366 63.970 7.620 8.770 1.00 0.00 H +ATOM 20671 HW2 SOL 6366 63.170 7.050 9.920 1.00 0.00 H +ATOM 20672 OW SOL 6367 8.530 45.570 10.710 1.00 0.00 O +ATOM 20673 HW1 SOL 6367 9.100 44.840 10.470 1.00 0.00 H +ATOM 20674 HW2 SOL 6367 8.260 45.380 11.610 1.00 0.00 H +ATOM 20675 OW SOL 6368 32.620 1.260 15.510 1.00 0.00 O +ATOM 20676 HW1 SOL 6368 32.970 0.450 15.890 1.00 0.00 H +ATOM 20677 HW2 SOL 6368 32.840 1.210 14.580 1.00 0.00 H +ATOM 20678 OW SOL 6369 6.780 22.940 9.160 1.00 0.00 O +ATOM 20679 HW1 SOL 6369 6.770 22.410 8.360 1.00 0.00 H +ATOM 20680 HW2 SOL 6369 5.860 23.010 9.420 1.00 0.00 H +ATOM 20681 OW SOL 6370 26.170 30.590 22.790 1.00 0.00 O +ATOM 20682 HW1 SOL 6370 25.220 30.630 22.920 1.00 0.00 H +ATOM 20683 HW2 SOL 6370 26.280 30.500 21.840 1.00 0.00 H +ATOM 20684 OW SOL 6371 64.650 45.370 17.110 1.00 0.00 O +ATOM 20685 HW1 SOL 6371 64.620 46.290 16.860 1.00 0.00 H +ATOM 20686 HW2 SOL 6371 63.810 45.010 16.820 1.00 0.00 H +ATOM 20687 OW SOL 6372 62.030 28.620 46.930 1.00 0.00 O +ATOM 20688 HW1 SOL 6372 61.230 28.300 46.520 1.00 0.00 H +ATOM 20689 HW2 SOL 6372 62.720 28.060 46.580 1.00 0.00 H +ATOM 20690 OW SOL 6373 62.300 47.990 0.640 1.00 0.00 O +ATOM 20691 HW1 SOL 6373 62.640 47.390 -0.020 1.00 0.00 H +ATOM 20692 HW2 SOL 6373 61.560 48.420 0.210 1.00 0.00 H +ATOM 20693 OW SOL 6374 22.990 30.240 39.050 1.00 0.00 O +ATOM 20694 HW1 SOL 6374 23.720 30.250 38.440 1.00 0.00 H +ATOM 20695 HW2 SOL 6374 22.830 29.310 39.230 1.00 0.00 H +ATOM 20696 OW SOL 6375 30.360 58.300 36.440 1.00 0.00 O +ATOM 20697 HW1 SOL 6375 30.370 58.390 37.390 1.00 0.00 H +ATOM 20698 HW2 SOL 6375 29.430 58.210 36.210 1.00 0.00 H +ATOM 20699 OW SOL 6376 37.930 19.510 18.460 1.00 0.00 O +ATOM 20700 HW1 SOL 6376 37.270 20.110 18.110 1.00 0.00 H +ATOM 20701 HW2 SOL 6376 38.380 19.170 17.690 1.00 0.00 H +ATOM 20702 OW SOL 6377 10.670 8.160 9.210 1.00 0.00 O +ATOM 20703 HW1 SOL 6377 11.510 7.740 9.050 1.00 0.00 H +ATOM 20704 HW2 SOL 6377 10.820 9.090 9.030 1.00 0.00 H +ATOM 20705 OW SOL 6378 46.220 24.620 50.560 1.00 0.00 O +ATOM 20706 HW1 SOL 6378 46.220 23.710 50.270 1.00 0.00 H +ATOM 20707 HW2 SOL 6378 45.540 25.040 50.040 1.00 0.00 H +ATOM 20708 OW SOL 6379 18.630 23.320 10.330 1.00 0.00 O +ATOM 20709 HW1 SOL 6379 18.050 22.560 10.330 1.00 0.00 H +ATOM 20710 HW2 SOL 6379 18.050 24.070 10.260 1.00 0.00 H +ATOM 20711 OW SOL 6380 60.800 58.270 8.270 1.00 0.00 O +ATOM 20712 HW1 SOL 6380 60.160 58.050 8.940 1.00 0.00 H +ATOM 20713 HW2 SOL 6380 60.740 57.560 7.640 1.00 0.00 H +ATOM 20714 OW SOL 6381 9.040 52.250 7.040 1.00 0.00 O +ATOM 20715 HW1 SOL 6381 8.270 51.870 7.460 1.00 0.00 H +ATOM 20716 HW2 SOL 6381 8.780 52.390 6.130 1.00 0.00 H +ATOM 20717 OW SOL 6382 43.570 52.370 5.760 1.00 0.00 O +ATOM 20718 HW1 SOL 6382 43.890 51.630 6.280 1.00 0.00 H +ATOM 20719 HW2 SOL 6382 42.620 52.260 5.760 1.00 0.00 H +ATOM 20720 OW SOL 6383 2.270 34.800 6.120 1.00 0.00 O +ATOM 20721 HW1 SOL 6383 1.500 34.230 5.980 1.00 0.00 H +ATOM 20722 HW2 SOL 6383 2.030 35.320 6.890 1.00 0.00 H +ATOM 20723 OW SOL 6384 25.390 54.660 11.890 1.00 0.00 O +ATOM 20724 HW1 SOL 6384 25.000 54.110 11.200 1.00 0.00 H +ATOM 20725 HW2 SOL 6384 26.200 54.990 11.500 1.00 0.00 H +ATOM 20726 OW SOL 6385 4.840 42.030 3.020 1.00 0.00 O +ATOM 20727 HW1 SOL 6385 5.370 42.790 3.240 1.00 0.00 H +ATOM 20728 HW2 SOL 6385 4.000 42.400 2.750 1.00 0.00 H +ATOM 20729 OW SOL 6386 25.270 31.590 10.220 1.00 0.00 O +ATOM 20730 HW1 SOL 6386 25.780 32.400 10.250 1.00 0.00 H +ATOM 20731 HW2 SOL 6386 25.800 30.990 9.690 1.00 0.00 H +ATOM 20732 OW SOL 6387 16.840 36.970 15.300 1.00 0.00 O +ATOM 20733 HW1 SOL 6387 15.910 36.730 15.340 1.00 0.00 H +ATOM 20734 HW2 SOL 6387 16.870 37.860 15.650 1.00 0.00 H +ATOM 20735 OW SOL 6388 10.900 47.360 10.790 1.00 0.00 O +ATOM 20736 HW1 SOL 6388 10.470 48.130 11.180 1.00 0.00 H +ATOM 20737 HW2 SOL 6388 10.320 46.630 10.990 1.00 0.00 H +ATOM 20738 OW SOL 6389 19.830 25.780 16.200 1.00 0.00 O +ATOM 20739 HW1 SOL 6389 18.900 25.970 16.220 1.00 0.00 H +ATOM 20740 HW2 SOL 6389 19.910 24.990 15.670 1.00 0.00 H +ATOM 20741 OW SOL 6390 19.710 51.730 13.470 1.00 0.00 O +ATOM 20742 HW1 SOL 6390 19.760 51.920 14.400 1.00 0.00 H +ATOM 20743 HW2 SOL 6390 20.610 51.810 13.160 1.00 0.00 H +ATOM 20744 OW SOL 6391 41.110 3.370 2.090 1.00 0.00 O +ATOM 20745 HW1 SOL 6391 41.590 3.000 2.830 1.00 0.00 H +ATOM 20746 HW2 SOL 6391 40.380 3.860 2.490 1.00 0.00 H +ATOM 20747 OW SOL 6392 62.480 8.060 4.300 1.00 0.00 O +ATOM 20748 HW1 SOL 6392 62.830 8.040 3.410 1.00 0.00 H +ATOM 20749 HW2 SOL 6392 62.010 8.890 4.360 1.00 0.00 H +ATOM 20750 OW SOL 6393 43.530 12.310 46.180 1.00 0.00 O +ATOM 20751 HW1 SOL 6393 43.650 11.500 46.670 1.00 0.00 H +ATOM 20752 HW2 SOL 6393 44.370 12.440 45.730 1.00 0.00 H +ATOM 20753 OW SOL 6394 35.040 23.080 9.480 1.00 0.00 O +ATOM 20754 HW1 SOL 6394 35.020 22.490 10.240 1.00 0.00 H +ATOM 20755 HW2 SOL 6394 35.290 22.520 8.750 1.00 0.00 H +ATOM 20756 OW SOL 6395 49.360 55.200 50.190 1.00 0.00 O +ATOM 20757 HW1 SOL 6395 50.250 55.350 49.890 1.00 0.00 H +ATOM 20758 HW2 SOL 6395 49.180 54.290 49.960 1.00 0.00 H +ATOM 20759 OW SOL 6396 51.800 59.620 30.780 1.00 0.00 O +ATOM 20760 HW1 SOL 6396 52.440 58.930 30.630 1.00 0.00 H +ATOM 20761 HW2 SOL 6396 51.290 59.320 31.540 1.00 0.00 H +ATOM 20762 OW SOL 6397 51.610 14.040 14.300 1.00 0.00 O +ATOM 20763 HW1 SOL 6397 51.080 14.770 14.610 1.00 0.00 H +ATOM 20764 HW2 SOL 6397 51.910 14.310 13.430 1.00 0.00 H +ATOM 20765 OW SOL 6398 9.650 33.550 43.360 1.00 0.00 O +ATOM 20766 HW1 SOL 6398 9.920 34.050 44.130 1.00 0.00 H +ATOM 20767 HW2 SOL 6398 8.750 33.830 43.190 1.00 0.00 H +ATOM 20768 OW SOL 6399 63.020 40.410 45.510 1.00 0.00 O +ATOM 20769 HW1 SOL 6399 63.570 40.660 44.780 1.00 0.00 H +ATOM 20770 HW2 SOL 6399 62.800 41.240 45.950 1.00 0.00 H +ATOM 20771 OW SOL 6400 19.110 13.320 0.490 1.00 0.00 O +ATOM 20772 HW1 SOL 6400 18.680 12.570 0.090 1.00 0.00 H +ATOM 20773 HW2 SOL 6400 18.530 14.060 0.300 1.00 0.00 H +ATOM 20774 OW SOL 6401 8.460 17.190 2.210 1.00 0.00 O +ATOM 20775 HW1 SOL 6401 9.090 16.570 2.600 1.00 0.00 H +ATOM 20776 HW2 SOL 6401 7.690 17.140 2.780 1.00 0.00 H +ATOM 20777 OW SOL 6402 16.310 51.360 51.270 1.00 0.00 O +ATOM 20778 HW1 SOL 6402 17.170 51.680 51.550 1.00 0.00 H +ATOM 20779 HW2 SOL 6402 15.760 52.140 51.240 1.00 0.00 H +ATOM 20780 OW SOL 6403 58.850 17.790 27.190 1.00 0.00 O +ATOM 20781 HW1 SOL 6403 58.890 16.870 26.950 1.00 0.00 H +ATOM 20782 HW2 SOL 6403 59.580 18.190 26.710 1.00 0.00 H +ATOM 20783 OW SOL 6404 12.210 50.080 48.160 1.00 0.00 O +ATOM 20784 HW1 SOL 6404 12.540 50.880 48.590 1.00 0.00 H +ATOM 20785 HW2 SOL 6404 12.850 49.410 48.370 1.00 0.00 H +ATOM 20786 OW SOL 6405 35.240 29.170 19.160 1.00 0.00 O +ATOM 20787 HW1 SOL 6405 35.400 28.840 20.050 1.00 0.00 H +ATOM 20788 HW2 SOL 6405 34.560 28.600 18.810 1.00 0.00 H +ATOM 20789 OW SOL 6406 41.290 40.020 40.770 1.00 0.00 O +ATOM 20790 HW1 SOL 6406 41.420 40.450 39.930 1.00 0.00 H +ATOM 20791 HW2 SOL 6406 41.490 40.690 41.420 1.00 0.00 H +ATOM 20792 OW SOL 6407 28.460 29.800 1.690 1.00 0.00 O +ATOM 20793 HW1 SOL 6407 27.800 29.310 2.190 1.00 0.00 H +ATOM 20794 HW2 SOL 6407 29.250 29.750 2.220 1.00 0.00 H +ATOM 20795 OW SOL 6408 1.310 0.180 34.350 1.00 0.00 O +ATOM 20796 HW1 SOL 6408 0.810 0.720 33.750 1.00 0.00 H +ATOM 20797 HW2 SOL 6408 0.780 0.140 35.140 1.00 0.00 H +ATOM 20798 OW SOL 6409 2.280 36.870 50.900 1.00 0.00 O +ATOM 20799 HW1 SOL 6409 2.840 37.280 50.250 1.00 0.00 H +ATOM 20800 HW2 SOL 6409 2.870 36.340 51.430 1.00 0.00 H +ATOM 20801 OW SOL 6410 16.440 1.520 0.630 1.00 0.00 O +ATOM 20802 HW1 SOL 6410 16.700 2.410 0.860 1.00 0.00 H +ATOM 20803 HW2 SOL 6410 15.730 1.630 -0.010 1.00 0.00 H +ATOM 20804 OW SOL 6411 14.890 26.920 52.300 1.00 0.00 O +ATOM 20805 HW1 SOL 6411 14.430 27.440 51.640 1.00 0.00 H +ATOM 20806 HW2 SOL 6411 14.720 26.010 52.040 1.00 0.00 H +ATOM 20807 OW SOL 6412 52.360 45.110 34.830 1.00 0.00 O +ATOM 20808 HW1 SOL 6412 51.620 45.400 34.290 1.00 0.00 H +ATOM 20809 HW2 SOL 6412 52.300 44.160 34.830 1.00 0.00 H +ATOM 20810 OW SOL 6413 31.370 36.700 9.890 1.00 0.00 O +ATOM 20811 HW1 SOL 6413 31.740 37.380 10.450 1.00 0.00 H +ATOM 20812 HW2 SOL 6413 31.960 36.670 9.140 1.00 0.00 H +ATOM 20813 OW SOL 6414 12.400 19.060 20.110 1.00 0.00 O +ATOM 20814 HW1 SOL 6414 13.230 19.490 20.310 1.00 0.00 H +ATOM 20815 HW2 SOL 6414 12.600 18.480 19.380 1.00 0.00 H +ATOM 20816 OW SOL 6415 41.680 40.910 17.420 1.00 0.00 O +ATOM 20817 HW1 SOL 6415 41.340 40.360 18.120 1.00 0.00 H +ATOM 20818 HW2 SOL 6415 42.620 40.720 17.400 1.00 0.00 H +ATOM 20819 OW SOL 6416 3.200 36.350 25.440 1.00 0.00 O +ATOM 20820 HW1 SOL 6416 3.010 36.720 26.300 1.00 0.00 H +ATOM 20821 HW2 SOL 6416 3.610 37.070 24.960 1.00 0.00 H +ATOM 20822 OW SOL 6417 6.620 9.260 42.130 1.00 0.00 O +ATOM 20823 HW1 SOL 6417 6.670 8.580 41.460 1.00 0.00 H +ATOM 20824 HW2 SOL 6417 5.690 9.490 42.170 1.00 0.00 H +ATOM 20825 OW SOL 6418 54.350 36.640 18.110 1.00 0.00 O +ATOM 20826 HW1 SOL 6418 55.230 36.320 18.290 1.00 0.00 H +ATOM 20827 HW2 SOL 6418 54.410 37.590 18.200 1.00 0.00 H +ATOM 20828 OW SOL 6419 14.090 53.840 46.520 1.00 0.00 O +ATOM 20829 HW1 SOL 6419 13.190 54.140 46.690 1.00 0.00 H +ATOM 20830 HW2 SOL 6419 14.220 53.980 45.590 1.00 0.00 H +ATOM 20831 OW SOL 6420 62.150 20.490 9.080 1.00 0.00 O +ATOM 20832 HW1 SOL 6420 61.800 21.000 8.360 1.00 0.00 H +ATOM 20833 HW2 SOL 6420 61.470 19.840 9.270 1.00 0.00 H +ATOM 20834 OW SOL 6421 52.640 43.080 19.060 1.00 0.00 O +ATOM 20835 HW1 SOL 6421 52.680 43.950 18.680 1.00 0.00 H +ATOM 20836 HW2 SOL 6421 52.650 42.480 18.310 1.00 0.00 H +ATOM 20837 OW SOL 6422 10.240 35.110 2.000 1.00 0.00 O +ATOM 20838 HW1 SOL 6422 9.830 35.790 2.540 1.00 0.00 H +ATOM 20839 HW2 SOL 6422 10.500 35.570 1.200 1.00 0.00 H +ATOM 20840 OW SOL 6423 46.470 50.380 11.080 1.00 0.00 O +ATOM 20841 HW1 SOL 6423 47.120 50.310 10.380 1.00 0.00 H +ATOM 20842 HW2 SOL 6423 46.340 51.320 11.190 1.00 0.00 H +ATOM 20843 OW SOL 6424 31.260 14.430 52.350 1.00 0.00 O +ATOM 20844 HW1 SOL 6424 31.440 13.870 53.110 1.00 0.00 H +ATOM 20845 HW2 SOL 6424 30.660 13.910 51.810 1.00 0.00 H +ATOM 20846 OW SOL 6425 65.010 40.100 24.820 1.00 0.00 O +ATOM 20847 HW1 SOL 6425 65.660 39.580 24.350 1.00 0.00 H +ATOM 20848 HW2 SOL 6425 64.560 40.590 24.140 1.00 0.00 H +ATOM 20849 OW SOL 6426 13.340 26.700 40.980 1.00 0.00 O +ATOM 20850 HW1 SOL 6426 13.340 27.590 40.600 1.00 0.00 H +ATOM 20851 HW2 SOL 6426 12.480 26.350 40.750 1.00 0.00 H +ATOM 20852 OW SOL 6427 19.140 55.520 2.200 1.00 0.00 O +ATOM 20853 HW1 SOL 6427 19.860 56.110 2.400 1.00 0.00 H +ATOM 20854 HW2 SOL 6427 19.450 55.000 1.460 1.00 0.00 H +ATOM 20855 OW SOL 6428 31.550 14.580 36.220 1.00 0.00 O +ATOM 20856 HW1 SOL 6428 31.730 14.220 35.360 1.00 0.00 H +ATOM 20857 HW2 SOL 6428 32.400 14.570 36.670 1.00 0.00 H +ATOM 20858 OW SOL 6429 48.110 16.210 33.600 1.00 0.00 O +ATOM 20859 HW1 SOL 6429 47.360 16.690 33.960 1.00 0.00 H +ATOM 20860 HW2 SOL 6429 48.430 16.780 32.910 1.00 0.00 H +ATOM 20861 OW SOL 6430 3.820 20.010 17.140 1.00 0.00 O +ATOM 20862 HW1 SOL 6430 3.380 19.680 16.350 1.00 0.00 H +ATOM 20863 HW2 SOL 6430 4.750 19.900 16.960 1.00 0.00 H +ATOM 20864 OW SOL 6431 0.085 14.510 32.400 1.00 0.00 O +ATOM 20865 HW1 SOL 6431 0.325 14.560 31.470 1.00 0.00 H +ATOM 20866 HW2 SOL 6431 -0.845 14.770 32.410 1.00 0.00 H +ATOM 20867 OW SOL 6432 20.750 30.320 43.970 1.00 0.00 O +ATOM 20868 HW1 SOL 6432 21.390 29.990 44.610 1.00 0.00 H +ATOM 20869 HW2 SOL 6432 20.170 29.570 43.810 1.00 0.00 H +ATOM 20870 OW SOL 6433 46.960 3.500 50.360 1.00 0.00 O +ATOM 20871 HW1 SOL 6433 46.480 4.070 50.970 1.00 0.00 H +ATOM 20872 HW2 SOL 6433 47.080 2.680 50.840 1.00 0.00 H +ATOM 20873 OW SOL 6434 62.380 16.920 13.970 1.00 0.00 O +ATOM 20874 HW1 SOL 6434 62.360 17.540 14.690 1.00 0.00 H +ATOM 20875 HW2 SOL 6434 63.310 16.830 13.750 1.00 0.00 H +ATOM 20876 OW SOL 6435 11.410 51.210 30.620 1.00 0.00 O +ATOM 20877 HW1 SOL 6435 12.300 51.360 30.920 1.00 0.00 H +ATOM 20878 HW2 SOL 6435 11.460 51.270 29.660 1.00 0.00 H +ATOM 20879 OW SOL 6436 41.610 34.430 46.180 1.00 0.00 O +ATOM 20880 HW1 SOL 6436 42.030 34.000 45.440 1.00 0.00 H +ATOM 20881 HW2 SOL 6436 41.780 35.370 46.050 1.00 0.00 H +ATOM 20882 OW SOL 6437 16.110 48.400 42.230 1.00 0.00 O +ATOM 20883 HW1 SOL 6437 15.630 47.600 42.000 1.00 0.00 H +ATOM 20884 HW2 SOL 6437 15.930 48.530 43.160 1.00 0.00 H +ATOM 20885 OW SOL 6438 16.720 12.280 20.380 1.00 0.00 O +ATOM 20886 HW1 SOL 6438 16.240 12.950 19.890 1.00 0.00 H +ATOM 20887 HW2 SOL 6438 16.990 11.650 19.710 1.00 0.00 H +ATOM 20888 OW SOL 6439 45.930 37.660 36.960 1.00 0.00 O +ATOM 20889 HW1 SOL 6439 46.550 37.070 37.390 1.00 0.00 H +ATOM 20890 HW2 SOL 6439 45.620 37.160 36.200 1.00 0.00 H +ATOM 20891 OW SOL 6440 50.980 37.180 1.690 1.00 0.00 O +ATOM 20892 HW1 SOL 6440 51.600 37.770 1.250 1.00 0.00 H +ATOM 20893 HW2 SOL 6440 51.210 36.310 1.350 1.00 0.00 H +ATOM 20894 OW SOL 6441 52.510 56.640 1.330 1.00 0.00 O +ATOM 20895 HW1 SOL 6441 52.980 57.000 2.080 1.00 0.00 H +ATOM 20896 HW2 SOL 6441 52.930 57.060 0.570 1.00 0.00 H +ATOM 20897 OW SOL 6442 0.020 46.470 10.800 1.00 0.00 O +ATOM 20898 HW1 SOL 6442 0.430 45.980 11.510 1.00 0.00 H +ATOM 20899 HW2 SOL 6442 -0.060 47.360 11.130 1.00 0.00 H +ATOM 20900 OW SOL 6443 3.990 27.900 14.740 1.00 0.00 O +ATOM 20901 HW1 SOL 6443 3.480 28.540 15.230 1.00 0.00 H +ATOM 20902 HW2 SOL 6443 3.360 27.500 14.130 1.00 0.00 H +ATOM 20903 OW SOL 6444 32.780 23.830 7.970 1.00 0.00 O +ATOM 20904 HW1 SOL 6444 33.310 23.580 8.720 1.00 0.00 H +ATOM 20905 HW2 SOL 6444 31.950 23.360 8.090 1.00 0.00 H +ATOM 20906 OW SOL 6445 2.500 43.310 15.440 1.00 0.00 O +ATOM 20907 HW1 SOL 6445 1.610 43.220 15.080 1.00 0.00 H +ATOM 20908 HW2 SOL 6445 2.580 42.560 16.040 1.00 0.00 H +ATOM 20909 OW SOL 6446 63.880 53.260 21.860 1.00 0.00 O +ATOM 20910 HW1 SOL 6446 64.120 53.220 22.780 1.00 0.00 H +ATOM 20911 HW2 SOL 6446 63.880 52.340 21.580 1.00 0.00 H +ATOM 20912 OW SOL 6447 18.290 43.680 5.520 1.00 0.00 O +ATOM 20913 HW1 SOL 6447 17.560 43.660 6.140 1.00 0.00 H +ATOM 20914 HW2 SOL 6447 18.000 43.110 4.810 1.00 0.00 H +ATOM 20915 OW SOL 6448 28.050 15.960 35.780 1.00 0.00 O +ATOM 20916 HW1 SOL 6448 28.660 15.750 35.070 1.00 0.00 H +ATOM 20917 HW2 SOL 6448 28.180 16.900 35.940 1.00 0.00 H +ATOM 20918 OW SOL 6449 20.300 56.740 43.360 1.00 0.00 O +ATOM 20919 HW1 SOL 6449 19.970 56.610 42.470 1.00 0.00 H +ATOM 20920 HW2 SOL 6449 19.590 56.440 43.920 1.00 0.00 H +ATOM 20921 OW SOL 6450 20.470 23.810 38.130 1.00 0.00 O +ATOM 20922 HW1 SOL 6450 20.250 22.970 37.720 1.00 0.00 H +ATOM 20923 HW2 SOL 6450 21.200 24.150 37.610 1.00 0.00 H +ATOM 20924 OW SOL 6451 14.190 28.770 13.380 1.00 0.00 O +ATOM 20925 HW1 SOL 6451 14.620 28.810 12.530 1.00 0.00 H +ATOM 20926 HW2 SOL 6451 13.290 28.510 13.180 1.00 0.00 H +ATOM 20927 OW SOL 6452 25.296 0.048 47.290 1.00 0.00 O +ATOM 20928 HW1 SOL 6452 25.826 -0.742 47.440 1.00 0.00 H +ATOM 20929 HW2 SOL 6452 25.456 0.278 46.380 1.00 0.00 H +ATOM 20930 OW SOL 6453 41.920 37.600 52.990 1.00 0.00 O +ATOM 20931 HW1 SOL 6453 42.500 37.630 52.230 1.00 0.00 H +ATOM 20932 HW2 SOL 6453 41.050 37.450 52.630 1.00 0.00 H +ATOM 20933 OW SOL 6454 7.170 32.900 21.870 1.00 0.00 O +ATOM 20934 HW1 SOL 6454 6.710 33.600 21.410 1.00 0.00 H +ATOM 20935 HW2 SOL 6454 8.090 33.030 21.640 1.00 0.00 H +ATOM 20936 OW SOL 6455 15.550 13.440 7.500 1.00 0.00 O +ATOM 20937 HW1 SOL 6455 15.890 13.250 8.380 1.00 0.00 H +ATOM 20938 HW2 SOL 6455 16.020 12.840 6.920 1.00 0.00 H +ATOM 20939 OW SOL 6456 25.420 32.550 15.070 1.00 0.00 O +ATOM 20940 HW1 SOL 6456 25.860 32.110 14.340 1.00 0.00 H +ATOM 20941 HW2 SOL 6456 25.610 32.000 15.830 1.00 0.00 H +ATOM 20942 OW SOL 6457 63.910 57.010 34.740 1.00 0.00 O +ATOM 20943 HW1 SOL 6457 64.390 57.470 35.430 1.00 0.00 H +ATOM 20944 HW2 SOL 6457 64.500 57.020 33.990 1.00 0.00 H +ATOM 20945 OW SOL 6458 3.430 12.930 26.480 1.00 0.00 O +ATOM 20946 HW1 SOL 6458 2.690 13.520 26.390 1.00 0.00 H +ATOM 20947 HW2 SOL 6458 3.590 12.870 27.420 1.00 0.00 H +ATOM 20948 OW SOL 6459 6.290 15.650 27.930 1.00 0.00 O +ATOM 20949 HW1 SOL 6459 6.200 16.130 28.750 1.00 0.00 H +ATOM 20950 HW2 SOL 6459 6.470 16.330 27.270 1.00 0.00 H +ATOM 20951 OW SOL 6460 0.250 45.100 47.920 1.00 0.00 O +ATOM 20952 HW1 SOL 6460 0.880 45.270 47.220 1.00 0.00 H +ATOM 20953 HW2 SOL 6460 0.410 45.790 48.560 1.00 0.00 H +ATOM 20954 OW SOL 6461 60.260 15.180 31.210 1.00 0.00 O +ATOM 20955 HW1 SOL 6461 59.900 16.050 31.030 1.00 0.00 H +ATOM 20956 HW2 SOL 6461 61.120 15.360 31.600 1.00 0.00 H +ATOM 20957 OW SOL 6462 36.830 8.930 46.040 1.00 0.00 O +ATOM 20958 HW1 SOL 6462 37.500 9.130 46.690 1.00 0.00 H +ATOM 20959 HW2 SOL 6462 36.040 8.750 46.550 1.00 0.00 H +ATOM 20960 OW SOL 6463 9.260 15.820 48.410 1.00 0.00 O +ATOM 20961 HW1 SOL 6463 9.400 16.360 49.180 1.00 0.00 H +ATOM 20962 HW2 SOL 6463 8.460 16.180 48.020 1.00 0.00 H +ATOM 20963 OW SOL 6464 6.260 19.610 47.610 1.00 0.00 O +ATOM 20964 HW1 SOL 6464 5.710 20.230 48.090 1.00 0.00 H +ATOM 20965 HW2 SOL 6464 7.110 20.050 47.540 1.00 0.00 H +ATOM 20966 OW SOL 6465 39.990 27.020 26.660 1.00 0.00 O +ATOM 20967 HW1 SOL 6465 40.740 27.310 26.130 1.00 0.00 H +ATOM 20968 HW2 SOL 6465 39.300 26.850 26.020 1.00 0.00 H +ATOM 20969 OW SOL 6466 9.650 52.770 48.470 1.00 0.00 O +ATOM 20970 HW1 SOL 6466 10.040 53.360 49.130 1.00 0.00 H +ATOM 20971 HW2 SOL 6466 9.960 51.900 48.720 1.00 0.00 H +ATOM 20972 OW SOL 6467 60.890 3.630 12.220 1.00 0.00 O +ATOM 20973 HW1 SOL 6467 61.320 2.780 12.080 1.00 0.00 H +ATOM 20974 HW2 SOL 6467 60.030 3.530 11.800 1.00 0.00 H +ATOM 20975 OW SOL 6468 4.840 50.680 0.540 1.00 0.00 O +ATOM 20976 HW1 SOL 6468 3.960 50.400 0.310 1.00 0.00 H +ATOM 20977 HW2 SOL 6468 4.930 51.550 0.160 1.00 0.00 H +ATOM 20978 OW SOL 6469 21.650 31.580 49.480 1.00 0.00 O +ATOM 20979 HW1 SOL 6469 21.710 30.650 49.690 1.00 0.00 H +ATOM 20980 HW2 SOL 6469 21.530 32.010 50.330 1.00 0.00 H +ATOM 20981 OW SOL 6470 63.030 25.660 44.610 1.00 0.00 O +ATOM 20982 HW1 SOL 6470 62.290 25.410 44.060 1.00 0.00 H +ATOM 20983 HW2 SOL 6470 63.770 25.170 44.260 1.00 0.00 H +ATOM 20984 OW SOL 6471 29.630 28.190 49.160 1.00 0.00 O +ATOM 20985 HW1 SOL 6471 29.350 28.210 50.080 1.00 0.00 H +ATOM 20986 HW2 SOL 6471 28.890 27.790 48.700 1.00 0.00 H +ATOM 20987 OW SOL 6472 24.570 19.610 38.140 1.00 0.00 O +ATOM 20988 HW1 SOL 6472 23.630 19.500 38.010 1.00 0.00 H +ATOM 20989 HW2 SOL 6472 24.880 20.030 37.340 1.00 0.00 H +ATOM 20990 OW SOL 6473 31.290 15.530 8.010 1.00 0.00 O +ATOM 20991 HW1 SOL 6473 32.070 15.740 8.520 1.00 0.00 H +ATOM 20992 HW2 SOL 6473 31.630 15.200 7.180 1.00 0.00 H +ATOM 20993 OW SOL 6474 0.720 20.190 38.540 1.00 0.00 O +ATOM 20994 HW1 SOL 6474 0.280 20.120 37.690 1.00 0.00 H +ATOM 20995 HW2 SOL 6474 1.610 20.480 38.320 1.00 0.00 H +ATOM 20996 OW SOL 6475 42.870 58.950 33.540 1.00 0.00 O +ATOM 20997 HW1 SOL 6475 42.160 59.450 33.140 1.00 0.00 H +ATOM 20998 HW2 SOL 6475 43.410 58.670 32.790 1.00 0.00 H +ATOM 20999 OW SOL 6476 59.900 4.460 36.350 1.00 0.00 O +ATOM 21000 HW1 SOL 6476 59.250 4.460 37.050 1.00 0.00 H +ATOM 21001 HW2 SOL 6476 60.730 4.320 36.800 1.00 0.00 H +ATOM 21002 OW SOL 6477 26.160 3.980 30.240 1.00 0.00 O +ATOM 21003 HW1 SOL 6477 25.400 4.290 30.740 1.00 0.00 H +ATOM 21004 HW2 SOL 6477 26.220 3.050 30.450 1.00 0.00 H +ATOM 21005 OW SOL 6478 39.590 49.500 7.080 1.00 0.00 O +ATOM 21006 HW1 SOL 6478 39.100 50.290 6.850 1.00 0.00 H +ATOM 21007 HW2 SOL 6478 40.240 49.410 6.380 1.00 0.00 H +ATOM 21008 OW SOL 6479 9.370 56.570 10.960 1.00 0.00 O +ATOM 21009 HW1 SOL 6479 9.570 57.270 10.350 1.00 0.00 H +ATOM 21010 HW2 SOL 6479 9.410 55.770 10.430 1.00 0.00 H +ATOM 21011 OW SOL 6480 53.250 48.050 27.500 1.00 0.00 O +ATOM 21012 HW1 SOL 6480 53.540 47.560 26.730 1.00 0.00 H +ATOM 21013 HW2 SOL 6480 53.630 48.920 27.390 1.00 0.00 H +ATOM 21014 OW SOL 6481 65.140 12.380 34.010 1.00 0.00 O +ATOM 21015 HW1 SOL 6481 65.100 13.110 33.380 1.00 0.00 H +ATOM 21016 HW2 SOL 6481 65.830 11.810 33.670 1.00 0.00 H +ATOM 21017 OW SOL 6482 19.950 48.950 1.850 1.00 0.00 O +ATOM 21018 HW1 SOL 6482 20.890 49.080 2.010 1.00 0.00 H +ATOM 21019 HW2 SOL 6482 19.720 49.640 1.230 1.00 0.00 H +ATOM 21020 OW SOL 6483 11.860 49.300 0.030 1.00 0.00 O +ATOM 21021 HW1 SOL 6483 11.980 49.530 0.950 1.00 0.00 H +ATOM 21022 HW2 SOL 6483 10.910 49.320 -0.090 1.00 0.00 H +ATOM 21023 OW SOL 6484 26.650 60.360 45.290 1.00 0.00 O +ATOM 21024 HW1 SOL 6484 26.490 60.010 44.410 1.00 0.00 H +ATOM 21025 HW2 SOL 6484 27.440 60.890 45.200 1.00 0.00 H +ATOM 21026 OW SOL 6485 44.500 40.110 53.580 1.00 0.00 O +ATOM 21027 HW1 SOL 6485 44.640 39.610 52.770 1.00 0.00 H +ATOM 21028 HW2 SOL 6485 45.130 39.740 54.200 1.00 0.00 H +ATOM 21029 OW SOL 6486 0.430 49.600 30.590 1.00 0.00 O +ATOM 21030 HW1 SOL 6486 0.370 48.680 30.860 1.00 0.00 H +ATOM 21031 HW2 SOL 6486 -0.460 49.820 30.290 1.00 0.00 H +ATOM 21032 OW SOL 6487 12.450 40.500 44.030 1.00 0.00 O +ATOM 21033 HW1 SOL 6487 12.920 41.180 43.540 1.00 0.00 H +ATOM 21034 HW2 SOL 6487 13.130 40.070 44.550 1.00 0.00 H +ATOM 21035 OW SOL 6488 32.780 53.280 43.180 1.00 0.00 O +ATOM 21036 HW1 SOL 6488 33.010 53.550 42.290 1.00 0.00 H +ATOM 21037 HW2 SOL 6488 33.630 53.160 43.620 1.00 0.00 H +ATOM 21038 OW SOL 6489 42.960 12.910 25.580 1.00 0.00 O +ATOM 21039 HW1 SOL 6489 42.690 12.810 24.670 1.00 0.00 H +ATOM 21040 HW2 SOL 6489 42.870 12.030 25.950 1.00 0.00 H +ATOM 21041 OW SOL 6490 56.210 13.480 24.170 1.00 0.00 O +ATOM 21042 HW1 SOL 6490 56.400 14.070 23.440 1.00 0.00 H +ATOM 21043 HW2 SOL 6490 55.930 12.670 23.760 1.00 0.00 H +ATOM 21044 OW SOL 6491 4.550 26.650 4.090 1.00 0.00 O +ATOM 21045 HW1 SOL 6491 4.840 26.330 4.950 1.00 0.00 H +ATOM 21046 HW2 SOL 6491 5.310 27.110 3.740 1.00 0.00 H +ATOM 21047 OW SOL 6492 9.470 18.210 11.250 1.00 0.00 O +ATOM 21048 HW1 SOL 6492 9.880 17.380 11.490 1.00 0.00 H +ATOM 21049 HW2 SOL 6492 8.900 18.000 10.510 1.00 0.00 H +ATOM 21050 OW SOL 6493 50.010 38.850 44.800 1.00 0.00 O +ATOM 21051 HW1 SOL 6493 49.600 38.060 45.160 1.00 0.00 H +ATOM 21052 HW2 SOL 6493 49.280 39.370 44.470 1.00 0.00 H +ATOM 21053 OW SOL 6494 49.980 38.040 40.450 1.00 0.00 O +ATOM 21054 HW1 SOL 6494 50.860 38.300 40.720 1.00 0.00 H +ATOM 21055 HW2 SOL 6494 49.680 37.460 41.150 1.00 0.00 H +ATOM 21056 OW SOL 6495 62.240 38.410 52.850 1.00 0.00 O +ATOM 21057 HW1 SOL 6495 62.980 38.570 53.440 1.00 0.00 H +ATOM 21058 HW2 SOL 6495 62.480 38.870 52.040 1.00 0.00 H +ATOM 21059 OW SOL 6496 9.420 36.380 13.360 1.00 0.00 O +ATOM 21060 HW1 SOL 6496 9.230 37.240 12.970 1.00 0.00 H +ATOM 21061 HW2 SOL 6496 9.280 36.500 14.300 1.00 0.00 H +ATOM 21062 OW SOL 6497 49.050 59.170 22.080 1.00 0.00 O +ATOM 21063 HW1 SOL 6497 48.830 59.740 22.810 1.00 0.00 H +ATOM 21064 HW2 SOL 6497 49.690 59.660 21.570 1.00 0.00 H +ATOM 21065 OW SOL 6498 62.700 53.050 6.290 1.00 0.00 O +ATOM 21066 HW1 SOL 6498 62.760 52.660 7.160 1.00 0.00 H +ATOM 21067 HW2 SOL 6498 63.330 53.770 6.300 1.00 0.00 H +ATOM 21068 OW SOL 6499 28.170 13.410 37.190 1.00 0.00 O +ATOM 21069 HW1 SOL 6499 28.030 13.590 38.120 1.00 0.00 H +ATOM 21070 HW2 SOL 6499 27.950 14.240 36.750 1.00 0.00 H +ATOM 21071 OW SOL 6500 34.140 50.380 11.780 1.00 0.00 O +ATOM 21072 HW1 SOL 6500 33.830 50.440 12.680 1.00 0.00 H +ATOM 21073 HW2 SOL 6500 35.050 50.090 11.860 1.00 0.00 H +ATOM 21074 OW SOL 6501 55.260 44.250 33.830 1.00 0.00 O +ATOM 21075 HW1 SOL 6501 54.460 44.710 34.070 1.00 0.00 H +ATOM 21076 HW2 SOL 6501 55.580 43.870 34.650 1.00 0.00 H +ATOM 21077 OW SOL 6502 55.720 45.350 46.990 1.00 0.00 O +ATOM 21078 HW1 SOL 6502 56.040 46.250 47.090 1.00 0.00 H +ATOM 21079 HW2 SOL 6502 55.030 45.410 46.340 1.00 0.00 H +ATOM 21080 OW SOL 6503 17.050 19.810 33.640 1.00 0.00 O +ATOM 21081 HW1 SOL 6503 17.860 19.510 33.230 1.00 0.00 H +ATOM 21082 HW2 SOL 6503 16.570 20.230 32.930 1.00 0.00 H +ATOM 21083 OW SOL 6504 55.520 47.930 14.480 1.00 0.00 O +ATOM 21084 HW1 SOL 6504 54.780 47.960 13.880 1.00 0.00 H +ATOM 21085 HW2 SOL 6504 55.480 47.040 14.860 1.00 0.00 H +ATOM 21086 OW SOL 6505 37.290 46.180 50.580 1.00 0.00 O +ATOM 21087 HW1 SOL 6505 36.730 46.770 51.080 1.00 0.00 H +ATOM 21088 HW2 SOL 6505 38.180 46.410 50.850 1.00 0.00 H +ATOM 21089 OW SOL 6506 17.460 35.360 44.800 1.00 0.00 O +ATOM 21090 HW1 SOL 6506 16.790 36.020 44.980 1.00 0.00 H +ATOM 21091 HW2 SOL 6506 16.970 34.610 44.480 1.00 0.00 H +ATOM 21092 OW SOL 6507 60.070 32.680 16.500 1.00 0.00 O +ATOM 21093 HW1 SOL 6507 60.580 32.060 15.980 1.00 0.00 H +ATOM 21094 HW2 SOL 6507 60.420 32.590 17.390 1.00 0.00 H +ATOM 21095 OW SOL 6508 24.340 8.860 46.850 1.00 0.00 O +ATOM 21096 HW1 SOL 6508 24.410 9.500 47.560 1.00 0.00 H +ATOM 21097 HW2 SOL 6508 23.960 8.090 47.260 1.00 0.00 H +ATOM 21098 OW SOL 6509 65.130 24.760 31.220 1.00 0.00 O +ATOM 21099 HW1 SOL 6509 65.100 24.060 31.870 1.00 0.00 H +ATOM 21100 HW2 SOL 6509 65.430 25.530 31.700 1.00 0.00 H +ATOM 21101 OW SOL 6510 17.000 17.440 35.220 1.00 0.00 O +ATOM 21102 HW1 SOL 6510 17.170 18.370 35.060 1.00 0.00 H +ATOM 21103 HW2 SOL 6510 17.600 17.210 35.930 1.00 0.00 H +ATOM 21104 OW SOL 6511 65.120 46.450 43.600 1.00 0.00 O +ATOM 21105 HW1 SOL 6511 65.610 45.670 43.320 1.00 0.00 H +ATOM 21106 HW2 SOL 6511 64.250 46.330 43.220 1.00 0.00 H +ATOM 21107 OW SOL 6512 63.240 41.820 31.000 1.00 0.00 O +ATOM 21108 HW1 SOL 6512 62.690 41.500 30.280 1.00 0.00 H +ATOM 21109 HW2 SOL 6512 63.440 42.720 30.780 1.00 0.00 H +ATOM 21110 OW SOL 6513 8.900 61.280 9.310 1.00 0.00 O +ATOM 21111 HW1 SOL 6513 9.770 60.970 9.080 1.00 0.00 H +ATOM 21112 HW2 SOL 6513 8.780 62.080 8.790 1.00 0.00 H +ATOM 21113 OW SOL 6514 48.770 24.190 14.170 1.00 0.00 O +ATOM 21114 HW1 SOL 6514 49.630 24.550 13.980 1.00 0.00 H +ATOM 21115 HW2 SOL 6514 48.250 24.940 14.460 1.00 0.00 H +ATOM 21116 OW SOL 6515 10.690 17.840 21.930 1.00 0.00 O +ATOM 21117 HW1 SOL 6515 11.270 18.170 21.240 1.00 0.00 H +ATOM 21118 HW2 SOL 6515 10.040 17.320 21.460 1.00 0.00 H +ATOM 21119 OW SOL 6516 20.770 41.770 51.500 1.00 0.00 O +ATOM 21120 HW1 SOL 6516 19.960 41.380 51.810 1.00 0.00 H +ATOM 21121 HW2 SOL 6516 20.690 41.750 50.540 1.00 0.00 H +ATOM 21122 OW SOL 6517 46.030 45.250 4.290 1.00 0.00 O +ATOM 21123 HW1 SOL 6517 45.920 45.970 4.910 1.00 0.00 H +ATOM 21124 HW2 SOL 6517 45.270 44.690 4.420 1.00 0.00 H +ATOM 21125 OW SOL 6518 10.770 46.350 4.620 1.00 0.00 O +ATOM 21126 HW1 SOL 6518 10.830 46.960 3.880 1.00 0.00 H +ATOM 21127 HW2 SOL 6518 10.620 46.900 5.380 1.00 0.00 H +ATOM 21128 OW SOL 6519 38.060 40.840 10.400 1.00 0.00 O +ATOM 21129 HW1 SOL 6519 38.950 41.140 10.610 1.00 0.00 H +ATOM 21130 HW2 SOL 6519 38.180 39.940 10.110 1.00 0.00 H +ATOM 21131 OW SOL 6520 65.610 59.200 38.980 1.00 0.00 O +ATOM 21132 HW1 SOL 6520 65.500 58.280 39.220 1.00 0.00 H +ATOM 21133 HW2 SOL 6520 64.960 59.670 39.490 1.00 0.00 H +ATOM 21134 OW SOL 6521 38.940 16.800 40.610 1.00 0.00 O +ATOM 21135 HW1 SOL 6521 39.600 16.130 40.430 1.00 0.00 H +ATOM 21136 HW2 SOL 6521 39.040 17.000 41.540 1.00 0.00 H +ATOM 21137 OW SOL 6522 53.660 37.130 4.510 1.00 0.00 O +ATOM 21138 HW1 SOL 6522 54.020 37.960 4.180 1.00 0.00 H +ATOM 21139 HW2 SOL 6522 54.380 36.510 4.440 1.00 0.00 H +ATOM 21140 OW SOL 6523 57.390 17.370 11.610 1.00 0.00 O +ATOM 21141 HW1 SOL 6523 57.620 18.090 11.030 1.00 0.00 H +ATOM 21142 HW2 SOL 6523 56.680 16.920 11.150 1.00 0.00 H +ATOM 21143 OW SOL 6524 24.920 5.290 48.400 1.00 0.00 O +ATOM 21144 HW1 SOL 6524 25.130 5.890 49.110 1.00 0.00 H +ATOM 21145 HW2 SOL 6524 24.090 4.880 48.670 1.00 0.00 H +ATOM 21146 OW SOL 6525 9.780 17.890 6.690 1.00 0.00 O +ATOM 21147 HW1 SOL 6525 9.540 18.720 6.280 1.00 0.00 H +ATOM 21148 HW2 SOL 6525 10.700 17.990 6.920 1.00 0.00 H +ATOM 21149 OW SOL 6526 14.760 23.570 34.200 1.00 0.00 O +ATOM 21150 HW1 SOL 6526 14.520 24.060 33.420 1.00 0.00 H +ATOM 21151 HW2 SOL 6526 15.420 24.110 34.630 1.00 0.00 H +ATOM 21152 OW SOL 6527 58.040 39.630 30.980 1.00 0.00 O +ATOM 21153 HW1 SOL 6527 57.140 39.310 30.930 1.00 0.00 H +ATOM 21154 HW2 SOL 6527 58.570 38.870 30.750 1.00 0.00 H +ATOM 21155 OW SOL 6528 37.680 58.970 26.390 1.00 0.00 O +ATOM 21156 HW1 SOL 6528 36.770 59.070 26.120 1.00 0.00 H +ATOM 21157 HW2 SOL 6528 38.170 59.460 25.730 1.00 0.00 H +ATOM 21158 OW SOL 6529 18.610 2.310 39.580 1.00 0.00 O +ATOM 21159 HW1 SOL 6529 18.960 1.630 40.150 1.00 0.00 H +ATOM 21160 HW2 SOL 6529 18.210 1.840 38.850 1.00 0.00 H +ATOM 21161 OW SOL 6530 23.900 1.110 35.910 1.00 0.00 O +ATOM 21162 HW1 SOL 6530 24.720 1.080 35.420 1.00 0.00 H +ATOM 21163 HW2 SOL 6530 23.400 1.820 35.510 1.00 0.00 H +ATOM 21164 OW SOL 6531 60.110 34.320 50.710 1.00 0.00 O +ATOM 21165 HW1 SOL 6531 60.840 33.840 50.320 1.00 0.00 H +ATOM 21166 HW2 SOL 6531 59.470 33.650 50.930 1.00 0.00 H +ATOM 21167 OW SOL 6532 55.640 14.360 12.790 1.00 0.00 O +ATOM 21168 HW1 SOL 6532 55.320 14.310 13.690 1.00 0.00 H +ATOM 21169 HW2 SOL 6532 56.280 13.650 12.730 1.00 0.00 H +ATOM 21170 OW SOL 6533 23.360 60.460 43.620 1.00 0.00 O +ATOM 21171 HW1 SOL 6533 23.590 61.030 44.360 1.00 0.00 H +ATOM 21172 HW2 SOL 6533 22.980 59.680 44.030 1.00 0.00 H +ATOM 21173 OW SOL 6534 20.750 0.140 35.100 1.00 0.00 O +ATOM 21174 HW1 SOL 6534 21.160 0.540 35.870 1.00 0.00 H +ATOM 21175 HW2 SOL 6534 19.830 0.030 35.340 1.00 0.00 H +ATOM 21176 OW SOL 6535 5.190 50.940 32.210 1.00 0.00 O +ATOM 21177 HW1 SOL 6535 4.670 51.570 32.710 1.00 0.00 H +ATOM 21178 HW2 SOL 6535 6.080 51.310 32.220 1.00 0.00 H +ATOM 21179 OW SOL 6536 10.270 35.400 50.820 1.00 0.00 O +ATOM 21180 HW1 SOL 6536 9.450 35.100 50.420 1.00 0.00 H +ATOM 21181 HW2 SOL 6536 10.050 36.240 51.220 1.00 0.00 H +ATOM 21182 OW SOL 6537 48.620 56.260 7.850 1.00 0.00 O +ATOM 21183 HW1 SOL 6537 49.160 56.960 7.490 1.00 0.00 H +ATOM 21184 HW2 SOL 6537 48.720 55.540 7.240 1.00 0.00 H +ATOM 21185 OW SOL 6538 21.580 11.460 39.760 1.00 0.00 O +ATOM 21186 HW1 SOL 6538 22.300 12.090 39.820 1.00 0.00 H +ATOM 21187 HW2 SOL 6538 21.550 11.230 38.830 1.00 0.00 H +ATOM 21188 OW SOL 6539 55.420 15.400 40.480 1.00 0.00 O +ATOM 21189 HW1 SOL 6539 55.320 16.300 40.790 1.00 0.00 H +ATOM 21190 HW2 SOL 6539 54.770 14.900 40.970 1.00 0.00 H +ATOM 21191 OW SOL 6540 28.600 17.050 13.770 1.00 0.00 O +ATOM 21192 HW1 SOL 6540 29.180 16.330 14.030 1.00 0.00 H +ATOM 21193 HW2 SOL 6540 27.730 16.750 14.040 1.00 0.00 H +ATOM 21194 OW SOL 6541 5.540 45.970 21.570 1.00 0.00 O +ATOM 21195 HW1 SOL 6541 4.660 46.260 21.820 1.00 0.00 H +ATOM 21196 HW2 SOL 6541 6.050 46.010 22.380 1.00 0.00 H +ATOM 21197 OW SOL 6542 10.680 61.270 47.820 1.00 0.00 O +ATOM 21198 HW1 SOL 6542 9.890 61.790 48.000 1.00 0.00 H +ATOM 21199 HW2 SOL 6542 10.400 60.360 47.930 1.00 0.00 H +ATOM 21200 OW SOL 6543 9.790 30.110 23.040 1.00 0.00 O +ATOM 21201 HW1 SOL 6543 10.220 29.290 23.290 1.00 0.00 H +ATOM 21202 HW2 SOL 6543 10.040 30.250 22.130 1.00 0.00 H +ATOM 21203 OW SOL 6544 43.860 4.410 30.320 1.00 0.00 O +ATOM 21204 HW1 SOL 6544 43.650 4.970 31.070 1.00 0.00 H +ATOM 21205 HW2 SOL 6544 44.030 3.550 30.700 1.00 0.00 H +ATOM 21206 OW SOL 6545 41.120 24.090 25.650 1.00 0.00 O +ATOM 21207 HW1 SOL 6545 41.740 24.510 26.250 1.00 0.00 H +ATOM 21208 HW2 SOL 6545 41.530 23.260 25.420 1.00 0.00 H +ATOM 21209 OW SOL 6546 31.130 15.590 24.130 1.00 0.00 O +ATOM 21210 HW1 SOL 6546 30.250 15.340 24.400 1.00 0.00 H +ATOM 21211 HW2 SOL 6546 31.380 14.930 23.480 1.00 0.00 H +ATOM 21212 OW SOL 6547 62.280 36.520 16.360 1.00 0.00 O +ATOM 21213 HW1 SOL 6547 61.960 35.920 15.670 1.00 0.00 H +ATOM 21214 HW2 SOL 6547 62.730 37.220 15.880 1.00 0.00 H +ATOM 21215 OW SOL 6548 5.700 40.050 22.280 1.00 0.00 O +ATOM 21216 HW1 SOL 6548 5.530 40.920 22.630 1.00 0.00 H +ATOM 21217 HW2 SOL 6548 6.650 40.020 22.150 1.00 0.00 H +ATOM 21218 OW SOL 6549 37.130 59.200 15.410 1.00 0.00 O +ATOM 21219 HW1 SOL 6549 37.120 59.190 16.370 1.00 0.00 H +ATOM 21220 HW2 SOL 6549 37.210 58.280 15.170 1.00 0.00 H +ATOM 21221 OW SOL 6550 25.810 39.950 39.210 1.00 0.00 O +ATOM 21222 HW1 SOL 6550 26.550 40.360 39.660 1.00 0.00 H +ATOM 21223 HW2 SOL 6550 25.200 39.720 39.910 1.00 0.00 H +ATOM 21224 OW SOL 6551 24.440 26.490 13.450 1.00 0.00 O +ATOM 21225 HW1 SOL 6551 24.840 27.020 12.760 1.00 0.00 H +ATOM 21226 HW2 SOL 6551 23.520 26.440 13.210 1.00 0.00 H +ATOM 21227 OW SOL 6552 31.870 22.830 45.210 1.00 0.00 O +ATOM 21228 HW1 SOL 6552 31.660 23.770 45.180 1.00 0.00 H +ATOM 21229 HW2 SOL 6552 31.050 22.410 45.460 1.00 0.00 H +ATOM 21230 OW SOL 6553 43.850 36.080 39.550 1.00 0.00 O +ATOM 21231 HW1 SOL 6553 43.900 35.740 38.650 1.00 0.00 H +ATOM 21232 HW2 SOL 6553 44.090 37.000 39.480 1.00 0.00 H +ATOM 21233 OW SOL 6554 39.310 59.720 10.130 1.00 0.00 O +ATOM 21234 HW1 SOL 6554 39.540 60.470 9.590 1.00 0.00 H +ATOM 21235 HW2 SOL 6554 38.440 59.930 10.480 1.00 0.00 H +ATOM 21236 OW SOL 6555 48.240 39.420 22.620 1.00 0.00 O +ATOM 21237 HW1 SOL 6555 47.910 39.810 21.810 1.00 0.00 H +ATOM 21238 HW2 SOL 6555 49.140 39.730 22.690 1.00 0.00 H +ATOM 21239 OW SOL 6556 32.380 34.100 38.370 1.00 0.00 O +ATOM 21240 HW1 SOL 6556 32.030 34.270 39.240 1.00 0.00 H +ATOM 21241 HW2 SOL 6556 32.750 33.220 38.420 1.00 0.00 H +ATOM 21242 OW SOL 6557 20.360 42.090 19.220 1.00 0.00 O +ATOM 21243 HW1 SOL 6557 20.880 41.920 20.010 1.00 0.00 H +ATOM 21244 HW2 SOL 6557 19.950 42.930 19.380 1.00 0.00 H +ATOM 21245 OW SOL 6558 56.710 60.520 10.530 1.00 0.00 O +ATOM 21246 HW1 SOL 6558 56.670 61.150 11.260 1.00 0.00 H +ATOM 21247 HW2 SOL 6558 57.180 60.990 9.840 1.00 0.00 H +ATOM 21248 OW SOL 6559 56.870 14.850 28.250 1.00 0.00 O +ATOM 21249 HW1 SOL 6559 56.290 14.550 28.950 1.00 0.00 H +ATOM 21250 HW2 SOL 6559 56.300 14.940 27.480 1.00 0.00 H +ATOM 21251 OW SOL 6560 10.490 17.540 16.430 1.00 0.00 O +ATOM 21252 HW1 SOL 6560 10.740 18.340 15.960 1.00 0.00 H +ATOM 21253 HW2 SOL 6560 10.040 17.010 15.770 1.00 0.00 H +ATOM 21254 OW SOL 6561 50.430 10.640 19.320 1.00 0.00 O +ATOM 21255 HW1 SOL 6561 49.740 10.050 19.010 1.00 0.00 H +ATOM 21256 HW2 SOL 6561 50.480 10.480 20.260 1.00 0.00 H +ATOM 21257 OW SOL 6562 36.020 33.930 41.650 1.00 0.00 O +ATOM 21258 HW1 SOL 6562 36.310 33.510 40.830 1.00 0.00 H +ATOM 21259 HW2 SOL 6562 35.750 34.810 41.380 1.00 0.00 H +ATOM 21260 OW SOL 6563 27.280 9.910 3.750 1.00 0.00 O +ATOM 21261 HW1 SOL 6563 27.270 9.070 4.220 1.00 0.00 H +ATOM 21262 HW2 SOL 6563 26.420 9.950 3.330 1.00 0.00 H +ATOM 21263 OW SOL 6564 44.380 8.870 29.750 1.00 0.00 O +ATOM 21264 HW1 SOL 6564 44.100 8.520 30.590 1.00 0.00 H +ATOM 21265 HW2 SOL 6564 44.410 8.120 29.160 1.00 0.00 H +ATOM 21266 OW SOL 6565 21.060 28.160 16.400 1.00 0.00 O +ATOM 21267 HW1 SOL 6565 20.710 27.270 16.440 1.00 0.00 H +ATOM 21268 HW2 SOL 6565 20.580 28.580 15.690 1.00 0.00 H +ATOM 21269 OW SOL 6566 57.420 51.450 18.830 1.00 0.00 O +ATOM 21270 HW1 SOL 6566 58.270 51.770 19.140 1.00 0.00 H +ATOM 21271 HW2 SOL 6566 57.490 51.490 17.870 1.00 0.00 H +ATOM 21272 OW SOL 6567 21.440 5.700 21.440 1.00 0.00 O +ATOM 21273 HW1 SOL 6567 21.680 6.480 20.940 1.00 0.00 H +ATOM 21274 HW2 SOL 6567 22.050 5.020 21.130 1.00 0.00 H +ATOM 21275 OW SOL 6568 43.030 52.220 28.000 1.00 0.00 O +ATOM 21276 HW1 SOL 6568 43.900 52.620 28.150 1.00 0.00 H +ATOM 21277 HW2 SOL 6568 43.200 51.520 27.370 1.00 0.00 H +ATOM 21278 OW SOL 6569 1.740 11.750 44.480 1.00 0.00 O +ATOM 21279 HW1 SOL 6569 1.810 12.050 43.580 1.00 0.00 H +ATOM 21280 HW2 SOL 6569 2.650 11.700 44.790 1.00 0.00 H +ATOM 21281 OW SOL 6570 47.080 57.820 37.550 1.00 0.00 O +ATOM 21282 HW1 SOL 6570 46.940 58.300 36.730 1.00 0.00 H +ATOM 21283 HW2 SOL 6570 47.160 56.910 37.290 1.00 0.00 H +ATOM 21284 OW SOL 6571 20.530 12.100 12.150 1.00 0.00 O +ATOM 21285 HW1 SOL 6571 20.540 11.330 12.720 1.00 0.00 H +ATOM 21286 HW2 SOL 6571 21.460 12.320 12.040 1.00 0.00 H +ATOM 21287 OW SOL 6572 19.930 58.530 8.720 1.00 0.00 O +ATOM 21288 HW1 SOL 6572 19.940 59.480 8.820 1.00 0.00 H +ATOM 21289 HW2 SOL 6572 19.050 58.330 8.400 1.00 0.00 H +ATOM 21290 OW SOL 6573 31.120 25.770 44.790 1.00 0.00 O +ATOM 21291 HW1 SOL 6573 31.590 25.880 45.610 1.00 0.00 H +ATOM 21292 HW2 SOL 6573 31.700 26.120 44.120 1.00 0.00 H +ATOM 21293 OW SOL 6574 62.460 24.860 21.380 1.00 0.00 O +ATOM 21294 HW1 SOL 6574 63.280 25.240 21.070 1.00 0.00 H +ATOM 21295 HW2 SOL 6574 62.700 24.400 22.180 1.00 0.00 H +ATOM 21296 OW SOL 6575 19.060 44.790 23.410 1.00 0.00 O +ATOM 21297 HW1 SOL 6575 19.670 44.220 23.870 1.00 0.00 H +ATOM 21298 HW2 SOL 6575 19.400 45.680 23.540 1.00 0.00 H +ATOM 21299 OW SOL 6576 9.970 47.540 25.260 1.00 0.00 O +ATOM 21300 HW1 SOL 6576 10.250 46.700 25.630 1.00 0.00 H +ATOM 21301 HW2 SOL 6576 9.940 48.130 26.020 1.00 0.00 H +ATOM 21302 OW SOL 6577 17.230 27.620 37.120 1.00 0.00 O +ATOM 21303 HW1 SOL 6577 16.930 27.260 36.280 1.00 0.00 H +ATOM 21304 HW2 SOL 6577 16.470 27.570 37.690 1.00 0.00 H +ATOM 21305 OW SOL 6578 49.440 50.990 26.860 1.00 0.00 O +ATOM 21306 HW1 SOL 6578 49.250 51.540 26.100 1.00 0.00 H +ATOM 21307 HW2 SOL 6578 49.690 50.150 26.480 1.00 0.00 H +ATOM 21308 OW SOL 6579 3.010 55.790 1.900 1.00 0.00 O +ATOM 21309 HW1 SOL 6579 2.130 55.690 2.280 1.00 0.00 H +ATOM 21310 HW2 SOL 6579 2.910 56.470 1.240 1.00 0.00 H +ATOM 21311 OW SOL 6580 62.050 20.900 0.890 1.00 0.00 O +ATOM 21312 HW1 SOL 6580 61.710 21.490 1.570 1.00 0.00 H +ATOM 21313 HW2 SOL 6580 62.950 21.190 0.750 1.00 0.00 H +ATOM 21314 OW SOL 6581 7.570 52.190 31.490 1.00 0.00 O +ATOM 21315 HW1 SOL 6581 8.400 52.570 31.200 1.00 0.00 H +ATOM 21316 HW2 SOL 6581 7.000 52.950 31.640 1.00 0.00 H +ATOM 21317 OW SOL 6582 42.910 10.190 42.180 1.00 0.00 O +ATOM 21318 HW1 SOL 6582 43.300 10.450 41.350 1.00 0.00 H +ATOM 21319 HW2 SOL 6582 42.230 9.560 41.940 1.00 0.00 H +ATOM 21320 OW SOL 6583 46.620 12.060 11.070 1.00 0.00 O +ATOM 21321 HW1 SOL 6583 46.300 11.250 10.650 1.00 0.00 H +ATOM 21322 HW2 SOL 6583 46.840 12.630 10.330 1.00 0.00 H +ATOM 21323 OW SOL 6584 32.160 23.760 40.150 1.00 0.00 O +ATOM 21324 HW1 SOL 6584 32.180 24.480 40.780 1.00 0.00 H +ATOM 21325 HW2 SOL 6584 31.770 23.030 40.630 1.00 0.00 H +ATOM 21326 OW SOL 6585 51.740 2.590 11.590 1.00 0.00 O +ATOM 21327 HW1 SOL 6585 52.180 1.890 12.070 1.00 0.00 H +ATOM 21328 HW2 SOL 6585 50.980 2.170 11.190 1.00 0.00 H +ATOM 21329 OW SOL 6586 25.356 0.078 2.650 1.00 0.00 O +ATOM 21330 HW1 SOL 6586 24.876 0.118 3.480 1.00 0.00 H +ATOM 21331 HW2 SOL 6586 24.726 -0.272 2.030 1.00 0.00 H +ATOM 21332 OW SOL 6587 25.440 19.410 50.370 1.00 0.00 O +ATOM 21333 HW1 SOL 6587 25.050 19.570 51.220 1.00 0.00 H +ATOM 21334 HW2 SOL 6587 25.840 18.550 50.440 1.00 0.00 H +ATOM 21335 OW SOL 6588 57.810 5.320 38.190 1.00 0.00 O +ATOM 21336 HW1 SOL 6588 57.720 5.940 38.910 1.00 0.00 H +ATOM 21337 HW2 SOL 6588 57.490 5.790 37.420 1.00 0.00 H +ATOM 21338 OW SOL 6589 14.500 10.580 51.950 1.00 0.00 O +ATOM 21339 HW1 SOL 6589 15.350 10.770 51.560 1.00 0.00 H +ATOM 21340 HW2 SOL 6589 14.450 11.170 52.700 1.00 0.00 H +ATOM 21341 OW SOL 6590 47.520 52.040 15.420 1.00 0.00 O +ATOM 21342 HW1 SOL 6590 47.180 52.710 14.820 1.00 0.00 H +ATOM 21343 HW2 SOL 6590 47.630 51.260 14.870 1.00 0.00 H +ATOM 21344 OW SOL 6591 55.850 43.930 36.470 1.00 0.00 O +ATOM 21345 HW1 SOL 6591 55.310 44.470 37.060 1.00 0.00 H +ATOM 21346 HW2 SOL 6591 56.040 43.140 36.980 1.00 0.00 H +ATOM 21347 OW SOL 6592 43.250 4.180 41.650 1.00 0.00 O +ATOM 21348 HW1 SOL 6592 43.800 3.700 41.030 1.00 0.00 H +ATOM 21349 HW2 SOL 6592 42.470 3.640 41.750 1.00 0.00 H +ATOM 21350 OW SOL 6593 41.010 14.260 47.450 1.00 0.00 O +ATOM 21351 HW1 SOL 6593 40.590 13.560 46.950 1.00 0.00 H +ATOM 21352 HW2 SOL 6593 41.520 14.750 46.800 1.00 0.00 H +ATOM 21353 OW SOL 6594 14.110 49.780 10.760 1.00 0.00 O +ATOM 21354 HW1 SOL 6594 14.190 48.970 11.270 1.00 0.00 H +ATOM 21355 HW2 SOL 6594 14.720 49.670 10.030 1.00 0.00 H +ATOM 21356 OW SOL 6595 14.850 24.380 51.280 1.00 0.00 O +ATOM 21357 HW1 SOL 6595 15.800 24.300 51.300 1.00 0.00 H +ATOM 21358 HW2 SOL 6595 14.540 23.640 51.820 1.00 0.00 H +ATOM 21359 OW SOL 6596 56.710 29.050 23.230 1.00 0.00 O +ATOM 21360 HW1 SOL 6596 57.080 28.950 22.360 1.00 0.00 H +ATOM 21361 HW2 SOL 6596 57.170 28.400 23.770 1.00 0.00 H +ATOM 21362 OW SOL 6597 48.060 61.220 12.180 1.00 0.00 O +ATOM 21363 HW1 SOL 6597 48.180 62.050 11.710 1.00 0.00 H +ATOM 21364 HW2 SOL 6597 48.530 61.340 13.000 1.00 0.00 H +ATOM 21365 OW SOL 6598 58.000 13.460 40.590 1.00 0.00 O +ATOM 21366 HW1 SOL 6598 57.280 13.930 40.990 1.00 0.00 H +ATOM 21367 HW2 SOL 6598 57.610 12.650 40.260 1.00 0.00 H +ATOM 21368 OW SOL 6599 24.660 14.460 44.660 1.00 0.00 O +ATOM 21369 HW1 SOL 6599 24.830 14.550 45.590 1.00 0.00 H +ATOM 21370 HW2 SOL 6599 25.320 13.840 44.350 1.00 0.00 H +ATOM 21371 OW SOL 6600 50.550 58.820 27.360 1.00 0.00 O +ATOM 21372 HW1 SOL 6600 50.830 59.640 27.750 1.00 0.00 H +ATOM 21373 HW2 SOL 6600 51.230 58.190 27.620 1.00 0.00 H +ATOM 21374 OW SOL 6601 26.630 16.030 4.010 1.00 0.00 O +ATOM 21375 HW1 SOL 6601 25.840 16.520 3.760 1.00 0.00 H +ATOM 21376 HW2 SOL 6601 27.290 16.310 3.380 1.00 0.00 H +ATOM 21377 OW SOL 6602 18.210 34.910 13.190 1.00 0.00 O +ATOM 21378 HW1 SOL 6602 17.580 34.750 13.880 1.00 0.00 H +ATOM 21379 HW2 SOL 6602 18.820 35.560 13.560 1.00 0.00 H +ATOM 21380 OW SOL 6603 6.820 51.090 9.930 1.00 0.00 O +ATOM 21381 HW1 SOL 6603 6.650 52.030 9.970 1.00 0.00 H +ATOM 21382 HW2 SOL 6603 6.530 50.830 9.050 1.00 0.00 H +ATOM 21383 OW SOL 6604 61.800 32.440 8.220 1.00 0.00 O +ATOM 21384 HW1 SOL 6604 61.560 31.760 7.590 1.00 0.00 H +ATOM 21385 HW2 SOL 6604 61.210 32.290 8.960 1.00 0.00 H +ATOM 21386 OW SOL 6605 53.170 52.740 45.890 1.00 0.00 O +ATOM 21387 HW1 SOL 6605 52.710 52.680 45.050 1.00 0.00 H +ATOM 21388 HW2 SOL 6605 52.500 53.030 46.510 1.00 0.00 H +ATOM 21389 OW SOL 6606 11.220 11.300 25.640 1.00 0.00 O +ATOM 21390 HW1 SOL 6606 11.040 12.080 26.160 1.00 0.00 H +ATOM 21391 HW2 SOL 6606 11.520 10.650 26.270 1.00 0.00 H +ATOM 21392 OW SOL 6607 0.750 18.890 23.690 1.00 0.00 O +ATOM 21393 HW1 SOL 6607 1.140 19.390 22.980 1.00 0.00 H +ATOM 21394 HW2 SOL 6607 -0.020 18.460 23.310 1.00 0.00 H +ATOM 21395 OW SOL 6608 23.040 2.920 40.600 1.00 0.00 O +ATOM 21396 HW1 SOL 6608 22.870 2.180 40.010 1.00 0.00 H +ATOM 21397 HW2 SOL 6608 22.410 3.580 40.320 1.00 0.00 H +ATOM 21398 OW SOL 6609 23.740 37.970 20.350 1.00 0.00 O +ATOM 21399 HW1 SOL 6609 23.810 38.520 21.140 1.00 0.00 H +ATOM 21400 HW2 SOL 6609 23.810 38.590 19.620 1.00 0.00 H +ATOM 21401 OW SOL 6610 9.280 12.890 19.610 1.00 0.00 O +ATOM 21402 HW1 SOL 6610 9.100 13.090 20.530 1.00 0.00 H +ATOM 21403 HW2 SOL 6610 9.350 11.940 19.580 1.00 0.00 H +ATOM 21404 OW SOL 6611 57.680 54.320 40.180 1.00 0.00 O +ATOM 21405 HW1 SOL 6611 56.990 54.720 39.650 1.00 0.00 H +ATOM 21406 HW2 SOL 6611 57.490 53.380 40.160 1.00 0.00 H +ATOM 21407 OW SOL 6612 43.970 13.050 11.770 1.00 0.00 O +ATOM 21408 HW1 SOL 6612 44.760 12.510 11.770 1.00 0.00 H +ATOM 21409 HW2 SOL 6612 44.300 13.950 11.690 1.00 0.00 H +ATOM 21410 OW SOL 6613 28.830 54.420 5.700 1.00 0.00 O +ATOM 21411 HW1 SOL 6613 29.710 54.150 5.450 1.00 0.00 H +ATOM 21412 HW2 SOL 6613 28.480 53.690 6.200 1.00 0.00 H +ATOM 21413 OW SOL 6614 44.270 7.150 16.390 1.00 0.00 O +ATOM 21414 HW1 SOL 6614 44.220 6.260 16.750 1.00 0.00 H +ATOM 21415 HW2 SOL 6614 43.710 7.670 16.960 1.00 0.00 H +ATOM 21416 OW SOL 6615 0.015 57.810 7.020 1.00 0.00 O +ATOM 21417 HW1 SOL 6615 -0.705 57.200 6.850 1.00 0.00 H +ATOM 21418 HW2 SOL 6615 0.575 57.340 7.640 1.00 0.00 H +ATOM 21419 OW SOL 6616 31.620 5.870 33.610 1.00 0.00 O +ATOM 21420 HW1 SOL 6616 31.730 5.580 32.710 1.00 0.00 H +ATOM 21421 HW2 SOL 6616 31.230 5.120 34.060 1.00 0.00 H +ATOM 21422 OW SOL 6617 51.120 25.120 40.330 1.00 0.00 O +ATOM 21423 HW1 SOL 6617 50.230 25.470 40.360 1.00 0.00 H +ATOM 21424 HW2 SOL 6617 51.680 25.900 40.290 1.00 0.00 H +ATOM 21425 OW SOL 6618 42.910 12.700 40.210 1.00 0.00 O +ATOM 21426 HW1 SOL 6618 42.700 11.970 39.630 1.00 0.00 H +ATOM 21427 HW2 SOL 6618 43.830 12.570 40.430 1.00 0.00 H +ATOM 21428 OW SOL 6619 23.770 22.740 1.320 1.00 0.00 O +ATOM 21429 HW1 SOL 6619 24.260 23.360 0.770 1.00 0.00 H +ATOM 21430 HW2 SOL 6619 23.940 23.020 2.210 1.00 0.00 H +ATOM 21431 OW SOL 6620 0.300 12.650 3.580 1.00 0.00 O +ATOM 21432 HW1 SOL 6620 -0.440 13.140 3.210 1.00 0.00 H +ATOM 21433 HW2 SOL 6620 0.710 12.240 2.820 1.00 0.00 H +ATOM 21434 OW SOL 6621 40.270 57.600 1.410 1.00 0.00 O +ATOM 21435 HW1 SOL 6621 39.550 57.810 2.000 1.00 0.00 H +ATOM 21436 HW2 SOL 6621 39.900 56.980 0.790 1.00 0.00 H +ATOM 21437 OW SOL 6622 65.465 4.470 35.670 1.00 0.00 O +ATOM 21438 HW1 SOL 6622 65.505 4.930 36.510 1.00 0.00 H +ATOM 21439 HW2 SOL 6622 66.145 3.790 35.740 1.00 0.00 H +ATOM 21440 OW SOL 6623 3.090 5.580 16.320 1.00 0.00 O +ATOM 21441 HW1 SOL 6623 3.860 5.410 16.860 1.00 0.00 H +ATOM 21442 HW2 SOL 6623 2.970 6.530 16.380 1.00 0.00 H +ATOM 21443 OW SOL 6624 46.180 58.610 44.600 1.00 0.00 O +ATOM 21444 HW1 SOL 6624 46.450 58.970 43.760 1.00 0.00 H +ATOM 21445 HW2 SOL 6624 45.220 58.600 44.570 1.00 0.00 H +ATOM 21446 OW SOL 6625 7.080 30.040 35.780 1.00 0.00 O +ATOM 21447 HW1 SOL 6625 6.630 30.590 35.140 1.00 0.00 H +ATOM 21448 HW2 SOL 6625 7.990 30.320 35.750 1.00 0.00 H +ATOM 21449 OW SOL 6626 53.340 48.920 12.560 1.00 0.00 O +ATOM 21450 HW1 SOL 6626 53.950 49.650 12.460 1.00 0.00 H +ATOM 21451 HW2 SOL 6626 52.480 49.310 12.400 1.00 0.00 H +ATOM 21452 OW SOL 6627 59.130 0.610 8.410 1.00 0.00 O +ATOM 21453 HW1 SOL 6627 59.510 1.470 8.630 1.00 0.00 H +ATOM 21454 HW2 SOL 6627 58.890 0.230 9.250 1.00 0.00 H +ATOM 21455 OW SOL 6628 17.240 7.360 24.640 1.00 0.00 O +ATOM 21456 HW1 SOL 6628 17.860 8.070 24.780 1.00 0.00 H +ATOM 21457 HW2 SOL 6628 16.380 7.770 24.670 1.00 0.00 H +ATOM 21458 OW SOL 6629 54.110 1.720 15.320 1.00 0.00 O +ATOM 21459 HW1 SOL 6629 54.500 2.600 15.250 1.00 0.00 H +ATOM 21460 HW2 SOL 6629 53.170 1.880 15.360 1.00 0.00 H +ATOM 21461 OW SOL 6630 36.110 8.010 18.000 1.00 0.00 O +ATOM 21462 HW1 SOL 6630 37.070 7.980 18.070 1.00 0.00 H +ATOM 21463 HW2 SOL 6630 35.940 8.720 17.380 1.00 0.00 H +ATOM 21464 OW SOL 6631 35.110 22.630 1.420 1.00 0.00 O +ATOM 21465 HW1 SOL 6631 35.430 21.750 1.220 1.00 0.00 H +ATOM 21466 HW2 SOL 6631 35.220 23.120 0.610 1.00 0.00 H +ATOM 21467 OW SOL 6632 27.080 41.340 5.510 1.00 0.00 O +ATOM 21468 HW1 SOL 6632 27.380 40.790 6.230 1.00 0.00 H +ATOM 21469 HW2 SOL 6632 26.930 42.200 5.910 1.00 0.00 H +ATOM 21470 OW SOL 6633 19.630 26.110 48.140 1.00 0.00 O +ATOM 21471 HW1 SOL 6633 19.020 25.380 48.000 1.00 0.00 H +ATOM 21472 HW2 SOL 6633 19.870 26.390 47.260 1.00 0.00 H +ATOM 21473 OW SOL 6634 3.540 2.480 37.930 1.00 0.00 O +ATOM 21474 HW1 SOL 6634 3.250 3.060 38.630 1.00 0.00 H +ATOM 21475 HW2 SOL 6634 3.190 1.620 38.170 1.00 0.00 H +ATOM 21476 OW SOL 6635 17.900 1.940 13.700 1.00 0.00 O +ATOM 21477 HW1 SOL 6635 18.110 2.410 12.890 1.00 0.00 H +ATOM 21478 HW2 SOL 6635 17.340 2.540 14.180 1.00 0.00 H +ATOM 21479 OW SOL 6636 23.930 8.750 10.600 1.00 0.00 O +ATOM 21480 HW1 SOL 6636 23.970 9.250 9.780 1.00 0.00 H +ATOM 21481 HW2 SOL 6636 24.210 7.870 10.360 1.00 0.00 H +ATOM 21482 OW SOL 6637 20.120 5.930 50.660 1.00 0.00 O +ATOM 21483 HW1 SOL 6637 20.050 5.040 50.300 1.00 0.00 H +ATOM 21484 HW2 SOL 6637 19.850 6.510 49.950 1.00 0.00 H +ATOM 21485 OW SOL 6638 60.860 2.530 50.800 1.00 0.00 O +ATOM 21486 HW1 SOL 6638 61.810 2.420 50.830 1.00 0.00 H +ATOM 21487 HW2 SOL 6638 60.730 3.430 50.490 1.00 0.00 H +ATOM 21488 OW SOL 6639 38.400 4.270 39.000 1.00 0.00 O +ATOM 21489 HW1 SOL 6639 38.430 5.060 38.460 1.00 0.00 H +ATOM 21490 HW2 SOL 6639 38.290 3.550 38.370 1.00 0.00 H +ATOM 21491 OW SOL 6640 63.530 60.050 43.470 1.00 0.00 O +ATOM 21492 HW1 SOL 6640 63.790 60.270 44.360 1.00 0.00 H +ATOM 21493 HW2 SOL 6640 64.350 60.000 42.980 1.00 0.00 H +ATOM 21494 OW SOL 6641 51.850 26.430 29.180 1.00 0.00 O +ATOM 21495 HW1 SOL 6641 52.280 26.170 28.370 1.00 0.00 H +ATOM 21496 HW2 SOL 6641 51.260 27.140 28.940 1.00 0.00 H +ATOM 21497 OW SOL 6642 62.280 46.010 37.820 1.00 0.00 O +ATOM 21498 HW1 SOL 6642 63.240 46.050 37.860 1.00 0.00 H +ATOM 21499 HW2 SOL 6642 61.990 46.240 38.700 1.00 0.00 H +ATOM 21500 OW SOL 6643 49.410 50.220 32.960 1.00 0.00 O +ATOM 21501 HW1 SOL 6643 48.700 49.970 32.370 1.00 0.00 H +ATOM 21502 HW2 SOL 6643 49.920 50.860 32.470 1.00 0.00 H +ATOM 21503 OW SOL 6644 52.820 29.970 45.640 1.00 0.00 O +ATOM 21504 HW1 SOL 6644 52.720 29.510 44.810 1.00 0.00 H +ATOM 21505 HW2 SOL 6644 52.040 29.730 46.140 1.00 0.00 H +ATOM 21506 OW SOL 6645 5.880 18.050 20.160 1.00 0.00 O +ATOM 21507 HW1 SOL 6645 5.740 17.570 19.340 1.00 0.00 H +ATOM 21508 HW2 SOL 6645 5.880 17.380 20.840 1.00 0.00 H +ATOM 21509 OW SOL 6646 7.480 2.190 3.080 1.00 0.00 O +ATOM 21510 HW1 SOL 6646 7.990 1.600 3.630 1.00 0.00 H +ATOM 21511 HW2 SOL 6646 6.590 2.130 3.420 1.00 0.00 H +ATOM 21512 OW SOL 6647 48.080 2.990 34.720 1.00 0.00 O +ATOM 21513 HW1 SOL 6647 47.560 3.220 35.490 1.00 0.00 H +ATOM 21514 HW2 SOL 6647 47.550 2.350 34.250 1.00 0.00 H +ATOM 21515 OW SOL 6648 37.180 35.220 45.680 1.00 0.00 O +ATOM 21516 HW1 SOL 6648 37.900 34.710 46.040 1.00 0.00 H +ATOM 21517 HW2 SOL 6648 37.540 35.630 44.900 1.00 0.00 H +ATOM 21518 OW SOL 6649 18.810 6.790 45.450 1.00 0.00 O +ATOM 21519 HW1 SOL 6649 18.040 7.030 44.940 1.00 0.00 H +ATOM 21520 HW2 SOL 6649 19.170 7.630 45.750 1.00 0.00 H +ATOM 21521 OW SOL 6650 38.300 58.100 3.600 1.00 0.00 O +ATOM 21522 HW1 SOL 6650 38.330 58.660 4.380 1.00 0.00 H +ATOM 21523 HW2 SOL 6650 38.220 57.210 3.950 1.00 0.00 H +ATOM 21524 OW SOL 6651 54.350 16.730 31.160 1.00 0.00 O +ATOM 21525 HW1 SOL 6651 55.180 16.290 31.300 1.00 0.00 H +ATOM 21526 HW2 SOL 6651 54.240 16.750 30.210 1.00 0.00 H +ATOM 21527 OW SOL 6652 50.010 30.100 1.980 1.00 0.00 O +ATOM 21528 HW1 SOL 6652 49.760 29.180 2.080 1.00 0.00 H +ATOM 21529 HW2 SOL 6652 50.830 30.070 1.480 1.00 0.00 H +ATOM 21530 OW SOL 6653 8.010 36.110 53.000 1.00 0.00 O +ATOM 21531 HW1 SOL 6653 7.260 36.190 52.400 1.00 0.00 H +ATOM 21532 HW2 SOL 6653 8.610 36.810 52.730 1.00 0.00 H +ATOM 21533 OW SOL 6654 43.080 61.300 45.910 1.00 0.00 O +ATOM 21534 HW1 SOL 6654 42.620 61.930 45.340 1.00 0.00 H +ATOM 21535 HW2 SOL 6654 43.370 60.610 45.310 1.00 0.00 H +ATOM 21536 OW SOL 6655 36.250 42.490 11.380 1.00 0.00 O +ATOM 21537 HW1 SOL 6655 37.050 42.040 11.150 1.00 0.00 H +ATOM 21538 HW2 SOL 6655 36.110 43.120 10.670 1.00 0.00 H +ATOM 21539 OW SOL 6656 52.330 12.640 6.450 1.00 0.00 O +ATOM 21540 HW1 SOL 6656 51.380 12.740 6.530 1.00 0.00 H +ATOM 21541 HW2 SOL 6656 52.670 13.540 6.480 1.00 0.00 H +ATOM 21542 OW SOL 6657 45.420 30.240 2.410 1.00 0.00 O +ATOM 21543 HW1 SOL 6657 44.480 30.290 2.590 1.00 0.00 H +ATOM 21544 HW2 SOL 6657 45.750 31.100 2.660 1.00 0.00 H +ATOM 21545 OW SOL 6658 46.440 25.280 15.430 1.00 0.00 O +ATOM 21546 HW1 SOL 6658 46.580 24.530 16.010 1.00 0.00 H +ATOM 21547 HW2 SOL 6658 46.060 25.950 16.000 1.00 0.00 H +ATOM 21548 OW SOL 6659 63.120 34.790 24.180 1.00 0.00 O +ATOM 21549 HW1 SOL 6659 62.250 34.410 24.060 1.00 0.00 H +ATOM 21550 HW2 SOL 6659 63.010 35.710 23.950 1.00 0.00 H +ATOM 21551 OW SOL 6660 61.080 46.120 6.720 1.00 0.00 O +ATOM 21552 HW1 SOL 6660 60.980 46.180 5.770 1.00 0.00 H +ATOM 21553 HW2 SOL 6660 61.150 47.020 7.010 1.00 0.00 H +ATOM 21554 OW SOL 6661 40.320 13.590 0.240 1.00 0.00 O +ATOM 21555 HW1 SOL 6661 40.740 13.700 1.100 1.00 0.00 H +ATOM 21556 HW2 SOL 6661 39.480 13.180 0.430 1.00 0.00 H +ATOM 21557 OW SOL 6662 37.750 1.850 29.250 1.00 0.00 O +ATOM 21558 HW1 SOL 6662 37.040 1.880 28.610 1.00 0.00 H +ATOM 21559 HW2 SOL 6662 38.530 2.090 28.750 1.00 0.00 H +ATOM 21560 OW SOL 6663 27.040 30.180 53.070 1.00 0.00 O +ATOM 21561 HW1 SOL 6663 26.150 30.320 52.740 1.00 0.00 H +ATOM 21562 HW2 SOL 6663 27.010 30.520 53.970 1.00 0.00 H +ATOM 21563 OW SOL 6664 0.060 25.320 3.360 1.00 0.00 O +ATOM 21564 HW1 SOL 6664 0.700 26.020 3.500 1.00 0.00 H +ATOM 21565 HW2 SOL 6664 0.580 24.520 3.360 1.00 0.00 H +ATOM 21566 OW SOL 6665 64.050 15.430 20.370 1.00 0.00 O +ATOM 21567 HW1 SOL 6665 63.340 15.030 20.880 1.00 0.00 H +ATOM 21568 HW2 SOL 6665 64.670 14.720 20.220 1.00 0.00 H +ATOM 21569 OW SOL 6666 45.850 38.420 44.340 1.00 0.00 O +ATOM 21570 HW1 SOL 6666 45.910 38.720 43.430 1.00 0.00 H +ATOM 21571 HW2 SOL 6666 45.200 37.730 44.320 1.00 0.00 H +ATOM 21572 OW SOL 6667 48.220 40.910 29.310 1.00 0.00 O +ATOM 21573 HW1 SOL 6667 48.860 40.610 29.960 1.00 0.00 H +ATOM 21574 HW2 SOL 6667 48.080 40.150 28.740 1.00 0.00 H +ATOM 21575 OW SOL 6668 54.080 59.460 19.680 1.00 0.00 O +ATOM 21576 HW1 SOL 6668 54.990 59.560 19.370 1.00 0.00 H +ATOM 21577 HW2 SOL 6668 53.870 60.320 20.050 1.00 0.00 H +ATOM 21578 OW SOL 6669 40.100 6.700 26.590 1.00 0.00 O +ATOM 21579 HW1 SOL 6669 39.370 6.420 27.140 1.00 0.00 H +ATOM 21580 HW2 SOL 6669 40.020 6.180 25.790 1.00 0.00 H +ATOM 21581 OW SOL 6670 3.150 19.790 9.860 1.00 0.00 O +ATOM 21582 HW1 SOL 6670 3.080 19.490 10.770 1.00 0.00 H +ATOM 21583 HW2 SOL 6670 3.980 19.430 9.550 1.00 0.00 H +ATOM 21584 OW SOL 6671 46.480 16.620 0.240 1.00 0.00 O +ATOM 21585 HW1 SOL 6671 46.260 15.690 0.290 1.00 0.00 H +ATOM 21586 HW2 SOL 6671 47.350 16.640 -0.160 1.00 0.00 H +ATOM 21587 OW SOL 6672 24.190 42.760 41.010 1.00 0.00 O +ATOM 21588 HW1 SOL 6672 23.860 43.650 40.910 1.00 0.00 H +ATOM 21589 HW2 SOL 6672 24.960 42.850 41.560 1.00 0.00 H +ATOM 21590 OW SOL 6673 15.640 49.910 34.500 1.00 0.00 O +ATOM 21591 HW1 SOL 6673 15.570 50.020 35.440 1.00 0.00 H +ATOM 21592 HW2 SOL 6673 16.550 49.690 34.350 1.00 0.00 H +ATOM 21593 OW SOL 6674 18.020 38.460 41.280 1.00 0.00 O +ATOM 21594 HW1 SOL 6674 18.670 38.240 41.950 1.00 0.00 H +ATOM 21595 HW2 SOL 6674 17.700 37.600 40.980 1.00 0.00 H +ATOM 21596 OW SOL 6675 58.880 58.790 23.580 1.00 0.00 O +ATOM 21597 HW1 SOL 6675 59.830 58.850 23.560 1.00 0.00 H +ATOM 21598 HW2 SOL 6675 58.660 58.640 24.500 1.00 0.00 H +ATOM 21599 OW SOL 6676 0.650 58.130 45.180 1.00 0.00 O +ATOM 21600 HW1 SOL 6676 0.190 58.050 44.340 1.00 0.00 H +ATOM 21601 HW2 SOL 6676 0.130 57.610 45.790 1.00 0.00 H +ATOM 21602 OW SOL 6677 40.940 4.540 12.170 1.00 0.00 O +ATOM 21603 HW1 SOL 6677 41.780 4.800 12.550 1.00 0.00 H +ATOM 21604 HW2 SOL 6677 40.380 4.360 12.920 1.00 0.00 H +ATOM 21605 OW SOL 6678 52.680 11.220 51.670 1.00 0.00 O +ATOM 21606 HW1 SOL 6678 51.810 11.580 51.530 1.00 0.00 H +ATOM 21607 HW2 SOL 6678 53.160 11.420 50.870 1.00 0.00 H +ATOM 21608 OW SOL 6679 31.360 7.180 6.820 1.00 0.00 O +ATOM 21609 HW1 SOL 6679 32.180 7.660 6.930 1.00 0.00 H +ATOM 21610 HW2 SOL 6679 31.380 6.870 5.910 1.00 0.00 H +ATOM 21611 OW SOL 6680 53.650 2.750 20.240 1.00 0.00 O +ATOM 21612 HW1 SOL 6680 54.030 3.630 20.240 1.00 0.00 H +ATOM 21613 HW2 SOL 6680 54.330 2.200 19.840 1.00 0.00 H +ATOM 21614 OW SOL 6681 15.560 2.660 45.220 1.00 0.00 O +ATOM 21615 HW1 SOL 6681 15.660 2.300 46.110 1.00 0.00 H +ATOM 21616 HW2 SOL 6681 16.390 3.110 45.050 1.00 0.00 H +ATOM 21617 OW SOL 6682 44.900 17.150 37.110 1.00 0.00 O +ATOM 21618 HW1 SOL 6682 45.280 16.880 37.950 1.00 0.00 H +ATOM 21619 HW2 SOL 6682 43.960 17.210 37.270 1.00 0.00 H +ATOM 21620 OW SOL 6683 14.520 49.500 39.660 1.00 0.00 O +ATOM 21621 HW1 SOL 6683 13.720 49.480 40.190 1.00 0.00 H +ATOM 21622 HW2 SOL 6683 15.140 48.960 40.140 1.00 0.00 H +ATOM 21623 OW SOL 6684 35.260 35.520 47.480 1.00 0.00 O +ATOM 21624 HW1 SOL 6684 35.250 34.600 47.730 1.00 0.00 H +ATOM 21625 HW2 SOL 6684 35.870 35.570 46.740 1.00 0.00 H +ATOM 21626 OW SOL 6685 21.230 44.230 52.480 1.00 0.00 O +ATOM 21627 HW1 SOL 6685 20.350 44.510 52.730 1.00 0.00 H +ATOM 21628 HW2 SOL 6685 21.110 43.340 52.150 1.00 0.00 H +ATOM 21629 OW SOL 6686 31.420 19.020 28.250 1.00 0.00 O +ATOM 21630 HW1 SOL 6686 31.810 18.820 29.100 1.00 0.00 H +ATOM 21631 HW2 SOL 6686 31.630 18.260 27.710 1.00 0.00 H +ATOM 21632 OW SOL 6687 22.880 17.540 33.720 1.00 0.00 O +ATOM 21633 HW1 SOL 6687 22.330 16.880 33.290 1.00 0.00 H +ATOM 21634 HW2 SOL 6687 23.370 17.950 33.010 1.00 0.00 H +ATOM 21635 OW SOL 6688 44.260 6.480 28.760 1.00 0.00 O +ATOM 21636 HW1 SOL 6688 44.010 5.710 29.290 1.00 0.00 H +ATOM 21637 HW2 SOL 6688 45.160 6.300 28.500 1.00 0.00 H +ATOM 21638 OW SOL 6689 39.190 13.220 49.060 1.00 0.00 O +ATOM 21639 HW1 SOL 6689 39.980 12.670 49.120 1.00 0.00 H +ATOM 21640 HW2 SOL 6689 39.520 14.090 48.830 1.00 0.00 H +ATOM 21641 OW SOL 6690 31.090 23.530 34.700 1.00 0.00 O +ATOM 21642 HW1 SOL 6690 31.630 22.860 34.280 1.00 0.00 H +ATOM 21643 HW2 SOL 6690 31.480 23.640 35.570 1.00 0.00 H +ATOM 21644 OW SOL 6691 5.420 0.300 39.020 1.00 0.00 O +ATOM 21645 HW1 SOL 6691 5.900 1.010 38.580 1.00 0.00 H +ATOM 21646 HW2 SOL 6691 4.910 -0.110 38.320 1.00 0.00 H +ATOM 21647 OW SOL 6692 0.740 40.510 9.210 1.00 0.00 O +ATOM 21648 HW1 SOL 6692 0.190 39.780 9.480 1.00 0.00 H +ATOM 21649 HW2 SOL 6692 1.630 40.140 9.210 1.00 0.00 H +ATOM 21650 OW SOL 6693 5.730 9.550 2.450 1.00 0.00 O +ATOM 21651 HW1 SOL 6693 6.610 9.270 2.190 1.00 0.00 H +ATOM 21652 HW2 SOL 6693 5.160 9.180 1.780 1.00 0.00 H +ATOM 21653 OW SOL 6694 17.030 13.700 51.730 1.00 0.00 O +ATOM 21654 HW1 SOL 6694 16.420 13.440 52.420 1.00 0.00 H +ATOM 21655 HW2 SOL 6694 16.490 14.200 51.120 1.00 0.00 H +ATOM 21656 OW SOL 6695 8.840 36.070 21.820 1.00 0.00 O +ATOM 21657 HW1 SOL 6695 8.290 36.660 21.290 1.00 0.00 H +ATOM 21658 HW2 SOL 6695 9.130 35.400 21.200 1.00 0.00 H +ATOM 21659 OW SOL 6696 46.320 8.480 24.670 1.00 0.00 O +ATOM 21660 HW1 SOL 6696 46.410 7.560 24.940 1.00 0.00 H +ATOM 21661 HW2 SOL 6696 46.930 8.950 25.220 1.00 0.00 H +ATOM 21662 OW SOL 6697 50.480 3.200 39.190 1.00 0.00 O +ATOM 21663 HW1 SOL 6697 49.880 3.920 39.000 1.00 0.00 H +ATOM 21664 HW2 SOL 6697 50.380 3.050 40.130 1.00 0.00 H +ATOM 21665 OW SOL 6698 63.400 2.570 15.650 1.00 0.00 O +ATOM 21666 HW1 SOL 6698 63.670 2.080 14.870 1.00 0.00 H +ATOM 21667 HW2 SOL 6698 64.050 2.350 16.310 1.00 0.00 H +ATOM 21668 OW SOL 6699 35.010 49.710 8.190 1.00 0.00 O +ATOM 21669 HW1 SOL 6699 34.290 50.170 8.610 1.00 0.00 H +ATOM 21670 HW2 SOL 6699 34.710 48.810 8.100 1.00 0.00 H +ATOM 21671 OW SOL 6700 12.350 12.920 35.230 1.00 0.00 O +ATOM 21672 HW1 SOL 6700 13.180 13.380 35.070 1.00 0.00 H +ATOM 21673 HW2 SOL 6700 12.010 13.300 36.040 1.00 0.00 H +ATOM 21674 OW SOL 6701 8.510 49.410 45.250 1.00 0.00 O +ATOM 21675 HW1 SOL 6701 9.450 49.540 45.400 1.00 0.00 H +ATOM 21676 HW2 SOL 6701 8.380 49.680 44.340 1.00 0.00 H +ATOM 21677 OW SOL 6702 30.620 33.020 15.530 1.00 0.00 O +ATOM 21678 HW1 SOL 6702 30.320 32.110 15.530 1.00 0.00 H +ATOM 21679 HW2 SOL 6702 31.550 32.960 15.730 1.00 0.00 H +ATOM 21680 OW SOL 6703 59.820 50.240 47.730 1.00 0.00 O +ATOM 21681 HW1 SOL 6703 60.080 49.480 48.250 1.00 0.00 H +ATOM 21682 HW2 SOL 6703 60.650 50.600 47.410 1.00 0.00 H +ATOM 21683 OW SOL 6704 30.710 15.190 0.690 1.00 0.00 O +ATOM 21684 HW1 SOL 6704 30.740 14.910 1.610 1.00 0.00 H +ATOM 21685 HW2 SOL 6704 31.600 15.480 0.500 1.00 0.00 H +ATOM 21686 OW SOL 6705 10.650 13.370 27.630 1.00 0.00 O +ATOM 21687 HW1 SOL 6705 10.910 14.200 27.220 1.00 0.00 H +ATOM 21688 HW2 SOL 6705 11.410 13.120 28.150 1.00 0.00 H +ATOM 21689 OW SOL 6706 10.070 4.830 22.130 1.00 0.00 O +ATOM 21690 HW1 SOL 6706 9.510 5.350 21.560 1.00 0.00 H +ATOM 21691 HW2 SOL 6706 9.470 4.460 22.790 1.00 0.00 H +ATOM 21692 OW SOL 6707 42.330 32.280 8.820 1.00 0.00 O +ATOM 21693 HW1 SOL 6707 41.930 33.020 8.370 1.00 0.00 H +ATOM 21694 HW2 SOL 6707 43.010 31.970 8.230 1.00 0.00 H +ATOM 21695 OW SOL 6708 49.300 5.210 46.230 1.00 0.00 O +ATOM 21696 HW1 SOL 6708 49.540 6.130 46.330 1.00 0.00 H +ATOM 21697 HW2 SOL 6708 48.380 5.170 46.490 1.00 0.00 H +ATOM 21698 OW SOL 6709 53.990 49.770 47.130 1.00 0.00 O +ATOM 21699 HW1 SOL 6709 53.050 49.680 47.300 1.00 0.00 H +ATOM 21700 HW2 SOL 6709 54.090 50.680 46.850 1.00 0.00 H +ATOM 21701 OW SOL 6710 18.990 38.270 21.760 1.00 0.00 O +ATOM 21702 HW1 SOL 6710 19.660 38.730 22.260 1.00 0.00 H +ATOM 21703 HW2 SOL 6710 19.480 37.710 21.150 1.00 0.00 H +ATOM 21704 OW SOL 6711 36.560 37.360 36.850 1.00 0.00 O +ATOM 21705 HW1 SOL 6711 37.040 37.590 37.640 1.00 0.00 H +ATOM 21706 HW2 SOL 6711 35.820 36.850 37.160 1.00 0.00 H +ATOM 21707 OW SOL 6712 56.700 8.050 50.920 1.00 0.00 O +ATOM 21708 HW1 SOL 6712 57.090 7.290 50.490 1.00 0.00 H +ATOM 21709 HW2 SOL 6712 57.440 8.580 51.210 1.00 0.00 H +ATOM 21710 NA NA 6713 63.510 45.590 10.340 1.00 0.00 Na +ATOM 21711 NA NA 6714 32.170 2.050 31.550 1.00 0.00 Na +ATOM 21712 NA NA 6715 54.500 2.150 44.790 1.00 0.00 Na +ATOM 21713 NA NA 6716 13.700 20.190 0.980 1.00 0.00 Na +ATOM 21714 NA NA 6717 12.930 14.950 30.860 1.00 0.00 Na +ATOM 21715 NA NA 6718 0.720 38.320 31.490 1.00 0.00 Na +ATOM 21716 NA NA 6719 21.190 5.650 6.920 1.00 0.00 Na +ATOM 21717 CL CL 6720 39.970 28.160 42.150 1.00 0.00 Cl +ATOM 21718 CL CL 6721 37.330 49.560 12.030 1.00 0.00 Cl +ATOM 21719 CL CL 6722 45.940 44.250 45.820 1.00 0.00 Cl +ATOM 21720 CL CL 6723 48.220 38.910 26.730 1.00 0.00 Cl +ATOM 21721 CL CL 6724 60.980 56.230 19.860 1.00 0.00 Cl +ATOM 21722 CL CL 6725 35.450 58.720 46.300 1.00 0.00 Cl +ATOM 21723 CL CL 6726 0.410 9.950 24.700 1.00 0.00 Cl +ATOM 21724 CL CL 6727 61.550 58.320 52.910 1.00 0.00 Cl +ATOM 21725 CL CL 6728 52.990 56.830 31.590 1.00 0.00 Cl +ATOM 21726 CL CL 6729 17.830 11.560 35.920 1.00 0.00 Cl +ATOM 21727 CL CL 6730 35.800 21.220 16.130 1.00 0.00 Cl +ATOM 21728 CL CL 6731 53.520 4.880 27.490 1.00 0.00 Cl +ATOM 21729 CL CL 6732 34.820 16.350 4.950 1.00 0.00 Cl +ATOM 21730 CL CL 6733 21.180 15.580 7.760 1.00 0.00 Cl +ATOM 21731 CL CL 6734 11.430 55.190 50.040 1.00 0.00 Cl +TER +ENDMDL diff --git a/biobb_wf_md_setup/tests/python/reference/step1_extract_molecule/protein.pdb b/biobb_wf_md_setup/tests/python/reference/step1_extract_molecule/protein.pdb new file mode 100644 index 0000000..5862be9 --- /dev/null +++ b/biobb_wf_md_setup/tests/python/reference/step1_extract_molecule/protein.pdb @@ -0,0 +1,1003 @@ +ATOM 1 N LYS A 1 35.365 22.342 -11.980 1.00 22.28 N +ATOM 2 CA LYS A 1 35.892 21.073 -11.427 1.00 21.12 C +ATOM 3 C LYS A 1 34.741 20.264 -10.844 1.00 16.85 C +ATOM 4 O LYS A 1 33.945 20.813 -10.081 1.00 18.94 O +ATOM 5 CB LYS A 1 36.872 21.435 -10.306 1.00 20.78 C +ATOM 6 CG LYS A 1 37.453 20.248 -9.565 1.00 18.47 C +ATOM 7 CD LYS A 1 38.688 20.649 -8.775 1.00 20.32 C +ATOM 8 CE LYS A 1 39.057 19.508 -7.837 1.00 24.76 C +ATOM 9 NZ LYS A 1 40.423 19.771 -7.299 1.00 28.27 N +ATOM 10 N VAL A 2 34.739 18.961 -11.042 1.00 19.96 N +ATOM 11 CA VAL A 2 33.903 17.998 -10.333 1.00 18.10 C +ATOM 12 C VAL A 2 34.800 17.312 -9.294 1.00 19.39 C +ATOM 13 O VAL A 2 35.759 16.605 -9.665 1.00 22.14 O +ATOM 14 CB VAL A 2 33.140 17.034 -11.232 1.00 16.81 C +ATOM 15 CG1 VAL A 2 32.251 16.084 -10.434 1.00 21.92 C +ATOM 16 CG2 VAL A 2 32.294 17.714 -12.290 1.00 19.46 C +ATOM 17 N PHE A 3 34.491 17.546 -8.038 1.00 19.89 N +ATOM 18 CA PHE A 3 35.185 16.903 -6.918 1.00 17.43 C +ATOM 19 C PHE A 3 34.742 15.441 -6.771 1.00 15.70 C +ATOM 20 O PHE A 3 33.525 15.162 -6.862 1.00 18.52 O +ATOM 21 CB PHE A 3 34.967 17.632 -5.594 1.00 17.94 C +ATOM 22 CG PHE A 3 35.944 18.737 -5.375 1.00 16.78 C +ATOM 23 CD1 PHE A 3 35.666 20.050 -5.798 1.00 15.97 C +ATOM 24 CD2 PHE A 3 37.000 18.557 -4.473 1.00 19.95 C +ATOM 25 CE1 PHE A 3 36.577 21.076 -5.568 1.00 17.32 C +ATOM 26 CE2 PHE A 3 37.869 19.589 -4.157 1.00 17.65 C +ATOM 27 CZ PHE A 3 37.636 20.873 -4.666 1.00 17.91 C +ATOM 28 N GLY A 4 35.724 14.639 -6.331 1.00 16.79 N +ATOM 29 CA GLY A 4 35.366 13.280 -5.870 1.00 16.34 C +ATOM 30 C GLY A 4 34.924 13.420 -4.415 1.00 11.91 C +ATOM 31 O GLY A 4 35.303 14.403 -3.781 1.00 16.23 O +ATOM 32 N ARG A 5 34.053 12.538 -3.973 1.00 14.65 N +ATOM 33 CA ARG A 5 33.565 12.538 -2.588 1.00 15.91 C +ATOM 34 C ARG A 5 34.665 12.734 -1.556 1.00 15.38 C +ATOM 35 O ARG A 5 34.669 13.651 -0.704 1.00 13.15 O +ATOM 36 CB ARG A 5 32.765 11.262 -2.331 1.00 17.38 C +ATOM 37 CG ARG A 5 32.213 11.203 -0.920 1.00 13.79 C +ATOM 38 CD ARG A 5 31.375 10.001 -0.722 1.00 15.84 C +ATOM 39 NE ARG A 5 32.059 8.749 -0.958 1.00 18.74 N +ATOM 40 CZ ARG A 5 32.733 8.011 -0.097 1.00 15.19 C +ATOM 41 NH1 ARG A 5 32.836 8.332 1.187 1.00 17.50 N +ATOM 42 NH2 ARG A 5 33.245 6.836 -0.526 1.00 23.44 N +ATOM 43 N CYS A 6 35.674 11.853 -1.612 1.00 14.07 N +ATOM 44 CA CYS A 6 36.781 11.870 -0.654 1.00 14.62 C +ATOM 45 C CYS A 6 37.747 13.050 -0.777 1.00 10.99 C +ATOM 46 O CYS A 6 38.148 13.609 0.264 1.00 16.34 O +ATOM 47 CB CYS A 6 37.491 10.532 -0.621 1.00 16.90 C +ATOM 48 SG CYS A 6 36.540 9.205 0.140 1.00 18.61 S +ATOM 49 N GLU A 7 37.861 13.481 -2.019 1.00 14.24 N +ATOM 50 CA GLU A 7 38.685 14.686 -2.311 1.00 13.83 C +ATOM 51 C GLU A 7 38.049 15.926 -1.658 1.00 14.86 C +ATOM 52 O GLU A 7 38.744 16.729 -1.011 1.00 15.01 O +ATOM 53 CB GLU A 7 38.784 14.846 -3.818 1.00 14.85 C +ATOM 54 CG GLU A 7 39.540 16.051 -4.379 1.00 18.50 C +ATOM 55 CD GLU A 7 39.576 16.242 -5.870 1.00 20.16 C +ATOM 56 OE1 GLU A 7 38.672 15.644 -6.491 1.00 26.20 O +ATOM 57 OE2 GLU A 7 40.415 16.953 -6.381 1.00 25.49 O +ATOM 58 N LEU A 8 36.743 16.049 -1.819 1.00 15.18 N +ATOM 59 CA LEU A 8 35.964 17.158 -1.255 1.00 12.72 C +ATOM 60 C LEU A 8 36.051 17.132 0.266 1.00 9.45 C +ATOM 61 O LEU A 8 36.159 18.166 0.920 1.00 13.45 O +ATOM 62 CB LEU A 8 34.528 17.172 -1.811 1.00 14.31 C +ATOM 63 CG LEU A 8 33.718 18.354 -1.305 1.00 15.95 C +ATOM 64 CD1 LEU A 8 34.297 19.656 -1.841 1.00 16.56 C +ATOM 65 CD2 LEU A 8 32.246 18.143 -1.596 1.00 15.88 C +ATOM 66 N ALA A 9 35.754 15.980 0.828 1.00 14.24 N +ATOM 67 CA ALA A 9 35.838 15.757 2.284 1.00 13.25 C +ATOM 68 C ALA A 9 37.144 16.314 2.840 1.00 12.89 C +ATOM 69 O ALA A 9 37.151 16.978 3.897 1.00 14.78 O +ATOM 70 CB ALA A 9 35.656 14.287 2.623 1.00 13.89 C +ATOM 71 N ALA A 10 38.272 15.983 2.204 1.00 12.54 N +ATOM 72 CA ALA A 10 39.610 16.431 2.616 1.00 16.58 C +ATOM 73 C ALA A 10 39.736 17.944 2.459 1.00 15.35 C +ATOM 74 O ALA A 10 40.193 18.499 3.469 1.00 17.40 O +ATOM 75 CB ALA A 10 40.708 15.706 1.842 1.00 15.49 C +ATOM 76 N ALA A 11 39.227 18.519 1.385 1.00 13.54 N +ATOM 77 CA ALA A 11 39.264 19.982 1.223 1.00 15.23 C +ATOM 78 C ALA A 11 38.491 20.702 2.321 1.00 15.68 C +ATOM 79 O ALA A 11 38.946 21.658 2.953 1.00 16.87 O +ATOM 80 CB ALA A 11 38.869 20.421 -0.175 1.00 14.12 C +ATOM 81 N MET A 12 37.288 20.214 2.590 1.00 15.47 N +ATOM 82 CA MET A 12 36.398 20.781 3.612 1.00 13.69 C +ATOM 83 C MET A 12 36.990 20.715 5.007 1.00 12.55 C +ATOM 84 O MET A 12 36.906 21.637 5.840 1.00 17.69 O +ATOM 85 CB MET A 12 34.993 20.213 3.515 1.00 11.18 C +ATOM 86 CG MET A 12 34.320 20.724 2.265 1.00 15.06 C +ATOM 87 SD MET A 12 32.634 19.986 2.235 1.00 17.81 S +ATOM 88 CE MET A 12 31.788 21.135 1.138 1.00 18.08 C +ATOM 89 N LYS A 13 37.688 19.628 5.314 1.00 12.42 N +ATOM 90 CA LYS A 13 38.387 19.385 6.579 1.00 14.58 C +ATOM 91 C LYS A 13 39.460 20.467 6.731 1.00 14.55 C +ATOM 92 O LYS A 13 39.507 21.137 7.776 1.00 16.49 O +ATOM 93 CB LYS A 13 38.934 17.952 6.572 1.00 15.36 C +ATOM 94 CG LYS A 13 39.742 17.555 7.798 1.00 20.46 C +ATOM 95 CD LYS A 13 38.973 16.777 8.834 1.00 23.53 C +ATOM 96 CE LYS A 13 39.293 15.305 8.751 1.00 26.37 C +ATOM 97 NZ LYS A 13 38.077 14.461 8.946 1.00 30.88 N +ATOM 98 N ARG A 14 40.267 20.629 5.688 1.00 18.91 N +ATOM 99 CA ARG A 14 41.387 21.577 5.713 1.00 17.66 C +ATOM 100 C ARG A 14 40.927 23.017 5.881 1.00 16.78 C +ATOM 101 O ARG A 14 41.557 23.834 6.584 1.00 20.06 O +ATOM 102 CB ARG A 14 42.388 21.351 4.601 1.00 20.89 C +ATOM 103 CG ARG A 14 42.173 22.079 3.289 1.00 25.07 C +ATOM 104 CD ARG A 14 43.444 22.075 2.490 1.00 23.98 C +ATOM 105 NE ARG A 14 43.687 20.710 2.012 1.00 31.92 N +ATOM 106 CZ ARG A 14 43.098 20.255 0.892 1.00 26.04 C +ATOM 107 NH1 ARG A 14 42.695 21.186 0.018 1.00 33.46 N +ATOM 108 NH2 ARG A 14 42.949 18.957 0.689 1.00 25.91 N +ATOM 109 N HIS A 15 39.681 23.247 5.463 1.00 17.84 N +ATOM 110 CA HIS A 15 39.075 24.591 5.526 1.00 15.99 C +ATOM 111 C HIS A 15 38.310 24.861 6.814 1.00 17.70 C +ATOM 112 O HIS A 15 37.608 25.875 6.952 1.00 22.68 O +ATOM 113 CB HIS A 15 38.223 24.918 4.285 1.00 19.19 C +ATOM 114 CG HIS A 15 39.085 25.388 3.171 1.00 20.14 C +ATOM 115 ND1 HIS A 15 39.457 24.635 2.091 1.00 24.53 N +ATOM 116 CD2 HIS A 15 39.739 26.570 2.993 1.00 24.44 C +ATOM 117 CE1 HIS A 15 40.211 25.312 1.258 1.00 20.68 C +ATOM 118 NE2 HIS A 15 40.524 26.419 1.889 1.00 27.34 N +ATOM 119 N GLY A 16 38.296 23.927 7.720 1.00 17.50 N +ATOM 120 CA GLY A 16 37.765 24.025 9.072 1.00 18.71 C +ATOM 121 C GLY A 16 36.264 23.799 9.210 1.00 18.40 C +ATOM 122 O GLY A 16 35.646 24.400 10.127 1.00 21.57 O +ATOM 123 N LEU A 17 35.665 23.073 8.274 1.00 17.56 N +ATOM 124 CA LEU A 17 34.238 22.795 8.298 1.00 15.38 C +ATOM 125 C LEU A 17 33.845 21.682 9.266 1.00 18.28 C +ATOM 126 O LEU A 17 32.643 21.594 9.552 1.00 18.24 O +ATOM 127 CB LEU A 17 33.648 22.647 6.901 1.00 15.02 C +ATOM 128 CG LEU A 17 33.451 23.889 6.060 1.00 16.08 C +ATOM 129 CD1 LEU A 17 32.933 23.420 4.705 1.00 13.83 C +ATOM 130 CD2 LEU A 17 32.556 24.946 6.679 1.00 18.60 C +ATOM 131 N ASP A 18 34.785 20.814 9.605 1.00 16.36 N +ATOM 132 CA ASP A 18 34.492 19.722 10.526 1.00 16.25 C +ATOM 133 C ASP A 18 34.015 20.222 11.901 1.00 17.32 C +ATOM 134 O ASP A 18 34.826 20.778 12.658 1.00 20.27 O +ATOM 135 CB ASP A 18 35.557 18.633 10.598 1.00 19.37 C +ATOM 136 CG ASP A 18 35.017 17.408 11.311 1.00 20.25 C +ATOM 137 OD1 ASP A 18 33.805 17.154 11.455 1.00 21.00 O +ATOM 138 OD2 ASP A 18 35.925 16.603 11.662 1.00 27.06 O +ATOM 139 N ASN A 19 32.746 19.990 12.205 1.00 18.55 N +ATOM 140 CA ASN A 19 32.123 20.431 13.448 1.00 17.19 C +ATOM 141 C ASN A 19 31.854 21.941 13.497 1.00 16.61 C +ATOM 142 O ASN A 19 31.426 22.398 14.573 1.00 18.56 O +ATOM 143 CB ASN A 19 32.767 20.004 14.770 1.00 18.92 C +ATOM 144 CG ASN A 19 32.162 20.512 16.064 1.00 24.64 C +ATOM 145 OD1 ASN A 19 30.967 20.273 16.355 1.00 32.53 O +ATOM 146 ND2 ASN A 19 32.847 21.361 16.852 1.00 24.14 N +ATOM 147 N TYR A 20 31.969 22.650 12.406 1.00 16.84 N +ATOM 148 CA TYR A 20 31.707 24.099 12.411 1.00 15.54 C +ATOM 149 C TYR A 20 30.231 24.343 12.759 1.00 15.81 C +ATOM 150 O TYR A 20 29.288 23.874 12.118 1.00 16.89 O +ATOM 151 CB TYR A 20 32.070 24.736 11.066 1.00 18.16 C +ATOM 152 CG TYR A 20 32.061 26.250 11.144 1.00 20.28 C +ATOM 153 CD1 TYR A 20 33.141 26.886 11.760 1.00 21.42 C +ATOM 154 CD2 TYR A 20 30.979 27.004 10.691 1.00 20.44 C +ATOM 155 CE1 TYR A 20 33.206 28.277 11.794 1.00 22.24 C +ATOM 156 CE2 TYR A 20 31.018 28.399 10.779 1.00 21.36 C +ATOM 157 CZ TYR A 20 32.102 29.017 11.383 1.00 19.38 C +ATOM 158 OH TYR A 20 32.136 30.371 11.525 1.00 26.77 O +ATOM 159 N ARG A 21 30.088 25.142 13.803 1.00 18.43 N +ATOM 160 CA ARG A 21 28.774 25.553 14.319 1.00 15.68 C +ATOM 161 C ARG A 21 27.964 24.312 14.623 1.00 15.17 C +ATOM 162 O ARG A 21 26.733 24.333 14.606 1.00 18.36 O +ATOM 163 CB ARG A 21 28.014 26.565 13.453 1.00 19.21 C +ATOM 164 CG ARG A 21 28.507 27.995 13.535 1.00 21.50 C +ATOM 165 CD ARG A 21 28.110 28.755 14.765 1.00 25.00 C +ATOM 166 NE ARG A 21 29.319 29.321 15.324 1.00 30.37 N +ATOM 167 CZ ARG A 21 30.215 30.234 14.978 1.00 29.02 C +ATOM 168 NH1 ARG A 21 31.501 29.856 14.846 1.00 29.04 N +ATOM 169 NH2 ARG A 21 29.938 31.437 14.495 1.00 31.89 N +ATOM 170 N GLY A 22 28.689 23.250 14.998 1.00 17.81 N +ATOM 171 CA GLY A 22 28.103 22.021 15.519 1.00 17.72 C +ATOM 172 C GLY A 22 27.748 21.018 14.436 1.00 18.89 C +ATOM 173 O GLY A 22 27.085 20.022 14.784 1.00 23.26 O +ATOM 174 N TYR A 23 28.209 21.230 13.216 1.00 18.20 N +ATOM 175 CA TYR A 23 27.887 20.318 12.111 1.00 15.42 C +ATOM 176 C TYR A 23 29.124 19.533 11.628 1.00 16.30 C +ATOM 177 O TYR A 23 30.045 20.191 11.139 1.00 16.66 O +ATOM 178 CB TYR A 23 27.351 21.107 10.913 1.00 15.82 C +ATOM 179 CG TYR A 23 26.001 21.745 11.127 1.00 15.96 C +ATOM 180 CD1 TYR A 23 24.846 20.962 11.139 1.00 14.81 C +ATOM 181 CD2 TYR A 23 25.897 23.096 11.458 1.00 16.60 C +ATOM 182 CE1 TYR A 23 23.600 21.518 11.422 1.00 17.08 C +ATOM 183 CE2 TYR A 23 24.647 23.673 11.726 1.00 19.34 C +ATOM 184 CZ TYR A 23 23.518 22.881 11.701 1.00 19.21 C +ATOM 185 OH TYR A 23 22.289 23.438 11.912 1.00 25.61 O +ATOM 186 N SER A 24 29.029 18.223 11.810 1.00 15.35 N +ATOM 187 CA SER A 24 30.143 17.347 11.414 1.00 16.89 C +ATOM 188 C SER A 24 30.359 17.379 9.895 1.00 15.61 C +ATOM 189 O SER A 24 29.442 17.687 9.139 1.00 13.88 O +ATOM 190 CB SER A 24 29.922 15.934 11.907 1.00 17.54 C +ATOM 191 OG SER A 24 28.799 15.336 11.308 1.00 19.85 O +ATOM 192 N LEU A 25 31.593 17.028 9.540 1.00 16.08 N +ATOM 193 CA LEU A 25 32.035 17.092 8.138 1.00 13.16 C +ATOM 194 C LEU A 25 31.030 16.437 7.183 1.00 13.39 C +ATOM 195 O LEU A 25 30.874 16.924 6.056 1.00 15.34 O +ATOM 196 CB LEU A 25 33.410 16.409 8.084 1.00 13.47 C +ATOM 197 CG LEU A 25 34.015 16.477 6.689 1.00 12.91 C +ATOM 198 CD1 LEU A 25 34.174 17.929 6.289 1.00 13.04 C +ATOM 199 CD2 LEU A 25 35.398 15.810 6.752 1.00 14.54 C +ATOM 200 N GLY A 26 30.501 15.280 7.576 1.00 13.10 N +ATOM 201 CA GLY A 26 29.539 14.561 6.756 1.00 13.88 C +ATOM 202 C GLY A 26 28.338 15.378 6.277 1.00 12.12 C +ATOM 203 O GLY A 26 27.886 15.250 5.120 1.00 13.13 O +ATOM 204 N ASN A 27 27.905 16.281 7.161 1.00 12.16 N +ATOM 205 CA ASN A 27 26.827 17.227 6.857 1.00 14.74 C +ATOM 206 C ASN A 27 27.164 18.015 5.597 1.00 15.43 C +ATOM 207 O ASN A 27 26.317 18.208 4.720 1.00 15.27 O +ATOM 208 CB ASN A 27 26.484 18.126 8.054 1.00 12.34 C +ATOM 209 CG ASN A 27 25.681 17.267 9.048 1.00 12.22 C +ATOM 210 OD1 ASN A 27 24.511 16.933 8.820 1.00 17.40 O +ATOM 211 ND2 ASN A 27 26.348 17.052 10.169 1.00 18.27 N +ATOM 212 N TRP A 28 28.344 18.591 5.583 1.00 16.78 N +ATOM 213 CA TRP A 28 28.831 19.475 4.513 1.00 16.49 C +ATOM 214 C TRP A 28 28.940 18.741 3.183 1.00 12.99 C +ATOM 215 O TRP A 28 28.742 19.321 2.090 1.00 13.97 O +ATOM 216 CB TRP A 28 30.104 20.145 5.023 1.00 14.55 C +ATOM 217 CG TRP A 28 29.941 20.978 6.251 1.00 11.93 C +ATOM 218 CD1 TRP A 28 30.176 20.624 7.546 1.00 14.42 C +ATOM 219 CD2 TRP A 28 29.319 22.284 6.287 1.00 13.11 C +ATOM 220 NE1 TRP A 28 29.924 21.690 8.365 1.00 16.94 N +ATOM 221 CE2 TRP A 28 29.337 22.679 7.641 1.00 14.07 C +ATOM 222 CE3 TRP A 28 28.894 23.168 5.295 1.00 15.97 C +ATOM 223 CZ2 TRP A 28 28.913 23.943 8.038 1.00 18.07 C +ATOM 224 CZ3 TRP A 28 28.398 24.404 5.682 1.00 18.26 C +ATOM 225 CH2 TRP A 28 28.431 24.766 7.025 1.00 17.18 C +ATOM 226 N VAL A 29 29.572 17.543 3.261 1.00 13.00 N +ATOM 227 CA VAL A 29 29.729 16.711 2.047 1.00 14.15 C +ATOM 228 C VAL A 29 28.379 16.340 1.429 1.00 10.43 C +ATOM 229 O VAL A 29 28.166 16.496 0.228 1.00 13.40 O +ATOM 230 CB VAL A 29 30.649 15.492 2.359 1.00 12.76 C +ATOM 231 CG1 VAL A 29 30.782 14.596 1.136 1.00 15.37 C +ATOM 232 CG2 VAL A 29 32.010 16.050 2.772 1.00 14.18 C +ATOM 233 N CYS A 30 27.501 15.906 2.299 1.00 15.32 N +ATOM 234 CA CYS A 30 26.115 15.567 1.991 1.00 15.59 C +ATOM 235 C CYS A 30 25.388 16.723 1.302 1.00 12.37 C +ATOM 236 O CYS A 30 24.894 16.516 0.172 1.00 14.44 O +ATOM 237 CB CYS A 30 25.343 15.046 3.172 1.00 14.99 C +ATOM 238 SG CYS A 30 23.719 14.376 2.695 1.00 17.71 S +ATOM 239 N ALA A 31 25.533 17.913 1.870 1.00 16.06 N +ATOM 240 CA ALA A 31 24.949 19.130 1.305 1.00 15.82 C +ATOM 241 C ALA A 31 25.487 19.354 -0.115 1.00 15.34 C +ATOM 242 O ALA A 31 24.675 19.686 -0.998 1.00 16.00 O +ATOM 243 CB ALA A 31 25.167 20.335 2.200 1.00 14.90 C +ATOM 244 N ALA A 32 26.807 19.354 -0.286 1.00 11.93 N +ATOM 245 CA ALA A 32 27.461 19.536 -1.579 1.00 13.08 C +ATOM 246 C ALA A 32 26.943 18.538 -2.620 1.00 12.38 C +ATOM 247 O ALA A 32 26.767 18.857 -3.789 1.00 13.89 O +ATOM 248 CB ALA A 32 28.982 19.476 -1.398 1.00 14.17 C +ATOM 249 N LYS A 33 26.731 17.303 -2.193 1.00 15.16 N +ATOM 250 CA LYS A 33 26.261 16.216 -3.037 1.00 16.16 C +ATOM 251 C LYS A 33 24.903 16.555 -3.658 1.00 15.04 C +ATOM 252 O LYS A 33 24.806 16.511 -4.890 1.00 15.00 O +ATOM 253 CB LYS A 33 26.221 14.860 -2.351 1.00 16.71 C +ATOM 254 CG LYS A 33 25.697 13.696 -3.185 1.00 19.51 C +ATOM 255 CD LYS A 33 26.498 13.400 -4.446 1.00 17.12 C +ATOM 256 CE LYS A 33 25.686 12.464 -5.331 1.00 24.06 C +ATOM 257 NZ LYS A 33 26.423 11.979 -6.525 1.00 26.78 N +ATOM 258 N PHE A 34 23.972 16.946 -2.817 1.00 16.81 N +ATOM 259 CA PHE A 34 22.569 17.125 -3.247 1.00 17.51 C +ATOM 260 C PHE A 34 22.346 18.506 -3.836 1.00 18.19 C +ATOM 261 O PHE A 34 21.504 18.692 -4.759 1.00 20.21 O +ATOM 262 CB PHE A 34 21.626 16.673 -2.130 1.00 18.58 C +ATOM 263 CG PHE A 34 21.644 15.172 -1.965 1.00 22.22 C +ATOM 264 CD1 PHE A 34 21.209 14.353 -3.007 1.00 20.24 C +ATOM 265 CD2 PHE A 34 22.272 14.627 -0.851 1.00 20.00 C +ATOM 266 CE1 PHE A 34 21.372 12.961 -2.910 1.00 22.03 C +ATOM 267 CE2 PHE A 34 22.443 13.245 -0.743 1.00 21.96 C +ATOM 268 CZ PHE A 34 21.923 12.406 -1.737 1.00 20.77 C +ATOM 269 N GLU A 35 23.251 19.415 -3.451 1.00 15.27 N +ATOM 270 CA GLU A 35 23.178 20.789 -3.996 1.00 15.45 C +ATOM 271 C GLU A 35 23.661 20.944 -5.423 1.00 17.45 C +ATOM 272 O GLU A 35 23.014 21.514 -6.310 1.00 17.91 O +ATOM 273 CB GLU A 35 23.698 21.892 -3.107 1.00 14.42 C +ATOM 274 CG GLU A 35 22.994 22.212 -1.809 1.00 11.08 C +ATOM 275 CD GLU A 35 21.631 22.846 -1.864 1.00 13.55 C +ATOM 276 OE1 GLU A 35 21.408 23.360 -2.981 1.00 20.77 O +ATOM 277 OE2 GLU A 35 20.947 23.032 -0.874 1.00 22.72 O +ATOM 278 N SER A 36 24.867 20.483 -5.674 1.00 15.66 N +ATOM 279 CA SER A 36 25.626 20.615 -6.903 1.00 17.79 C +ATOM 280 C SER A 36 26.139 19.341 -7.569 1.00 16.97 C +ATOM 281 O SER A 36 26.750 19.464 -8.642 1.00 21.78 O +ATOM 282 CB SER A 36 26.830 21.528 -6.654 1.00 18.12 C +ATOM 283 OG SER A 36 27.747 20.951 -5.748 1.00 15.16 O +ATOM 284 N ASN A 37 25.957 18.222 -6.927 1.00 20.15 N +ATOM 285 CA ASN A 37 26.628 16.968 -7.297 1.00 20.85 C +ATOM 286 C ASN A 37 28.149 17.091 -7.302 1.00 19.72 C +ATOM 287 O ASN A 37 28.813 16.627 -8.254 1.00 20.79 O +ATOM 288 CB ASN A 37 26.028 16.490 -8.617 1.00 20.82 C +ATOM 289 CG ASN A 37 26.156 14.980 -8.782 1.00 23.63 C +ATOM 290 OD1 ASN A 37 26.640 14.266 -7.885 1.00 28.05 O +ATOM 291 ND2 ASN A 37 25.867 14.506 -9.990 1.00 29.61 N +ATOM 292 N PHE A 38 28.691 17.882 -6.383 1.00 16.12 N +ATOM 293 CA PHE A 38 30.129 18.115 -6.279 1.00 14.75 C +ATOM 294 C PHE A 38 30.717 18.903 -7.448 1.00 13.86 C +ATOM 295 O PHE A 38 31.923 18.794 -7.702 1.00 16.66 O +ATOM 296 CB PHE A 38 30.914 16.823 -6.047 1.00 17.09 C +ATOM 297 CG PHE A 38 30.487 16.006 -4.863 1.00 15.96 C +ATOM 298 CD1 PHE A 38 30.100 16.572 -3.655 1.00 15.43 C +ATOM 299 CD2 PHE A 38 30.507 14.603 -4.993 1.00 17.66 C +ATOM 300 CE1 PHE A 38 29.766 15.808 -2.558 1.00 16.83 C +ATOM 301 CE2 PHE A 38 30.136 13.814 -3.891 1.00 15.86 C +ATOM 302 CZ PHE A 38 29.835 14.410 -2.646 1.00 18.90 C +ATOM 303 N ASN A 39 29.936 19.792 -8.033 1.00 17.63 N +ATOM 304 CA ASN A 39 30.341 20.573 -9.199 1.00 16.77 C +ATOM 305 C ASN A 39 30.543 22.034 -8.823 1.00 17.13 C +ATOM 306 O ASN A 39 29.544 22.649 -8.423 1.00 17.24 O +ATOM 307 CB ASN A 39 29.406 20.300 -10.366 1.00 17.40 C +ATOM 308 CG ASN A 39 29.876 20.771 -11.716 1.00 16.96 C +ATOM 309 OD1 ASN A 39 30.579 21.750 -11.956 1.00 23.22 O +ATOM 310 ND2 ASN A 39 29.578 19.864 -12.653 1.00 26.35 N +ATOM 311 N THR A 40 31.766 22.492 -8.928 1.00 14.88 N +ATOM 312 CA THR A 40 32.139 23.869 -8.657 1.00 16.08 C +ATOM 313 C THR A 40 31.504 24.890 -9.589 1.00 16.31 C +ATOM 314 O THR A 40 31.316 26.054 -9.213 1.00 17.50 O +ATOM 315 CB THR A 40 33.684 24.103 -8.422 1.00 17.07 C +ATOM 316 OG1 THR A 40 34.270 24.156 -9.775 1.00 23.76 O +ATOM 317 CG2 THR A 40 34.414 23.119 -7.491 1.00 16.46 C +ATOM 318 N GLN A 41 31.001 24.430 -10.706 1.00 16.39 N +ATOM 319 CA GLN A 41 30.524 25.291 -11.812 1.00 16.67 C +ATOM 320 C GLN A 41 28.993 25.381 -11.874 1.00 15.44 C +ATOM 321 O GLN A 41 28.504 26.019 -12.837 1.00 18.55 O +ATOM 322 CB GLN A 41 31.047 24.817 -13.168 1.00 19.65 C +ATOM 323 CG GLN A 41 32.549 25.004 -13.279 1.00 21.26 C +ATOM 324 CD GLN A 41 32.763 26.236 -14.129 1.00 26.23 C +ATOM 325 OE1 GLN A 41 32.356 26.308 -15.291 1.00 24.68 O +ATOM 326 NE2 GLN A 41 33.276 27.231 -13.420 1.00 25.96 N +ATOM 327 N ALA A 42 28.329 24.640 -11.012 1.00 15.95 N +ATOM 328 CA ALA A 42 26.859 24.579 -11.061 1.00 17.42 C +ATOM 329 C ALA A 42 26.257 25.969 -10.807 1.00 18.93 C +ATOM 330 O ALA A 42 26.645 26.686 -9.884 1.00 17.00 O +ATOM 331 CB ALA A 42 26.355 23.604 -9.998 1.00 22.79 C +ATOM 332 N THR A 43 25.276 26.293 -11.643 1.00 18.30 N +ATOM 333 CA THR A 43 24.441 27.490 -11.476 1.00 17.73 C +ATOM 334 C THR A 43 22.976 27.112 -11.714 1.00 19.61 C +ATOM 335 O THR A 43 22.715 26.271 -12.594 1.00 22.06 O +ATOM 336 CB THR A 43 24.814 28.728 -12.375 1.00 17.58 C +ATOM 337 OG1 THR A 43 24.555 28.321 -13.756 1.00 20.94 O +ATOM 338 CG2 THR A 43 26.247 29.213 -12.184 1.00 18.26 C +ATOM 339 N ASN A 44 22.088 27.742 -10.971 1.00 19.77 N +ATOM 340 CA ASN A 44 20.640 27.497 -11.108 1.00 19.51 C +ATOM 341 C ASN A 44 19.903 28.842 -10.963 1.00 14.85 C +ATOM 342 O ASN A 44 20.169 29.600 -10.033 1.00 19.43 O +ATOM 343 CB ASN A 44 20.155 26.480 -10.080 1.00 19.93 C +ATOM 344 CG ASN A 44 18.646 26.315 -10.115 1.00 22.01 C +ATOM 345 OD1 ASN A 44 18.128 25.720 -11.078 1.00 29.53 O +ATOM 346 ND2 ASN A 44 17.906 26.927 -9.188 1.00 22.94 N +ATOM 347 N ARG A 45 19.058 29.117 -11.924 1.00 16.90 N +ATOM 348 CA ARG A 45 18.303 30.363 -12.015 1.00 18.37 C +ATOM 349 C ARG A 45 16.955 30.163 -11.326 1.00 18.76 C +ATOM 350 O ARG A 45 16.396 29.062 -11.425 1.00 20.87 O +ATOM 351 CB ARG A 45 18.143 30.836 -13.462 1.00 19.30 C +ATOM 352 CG ARG A 45 17.012 31.859 -13.557 1.00 23.98 C +ATOM 353 CD ARG A 45 17.502 33.134 -12.930 1.00 23.36 C +ATOM 354 NE ARG A 45 18.311 33.758 -13.981 1.00 29.56 N +ATOM 355 CZ ARG A 45 17.620 34.271 -15.020 1.00 27.18 C +ATOM 356 NH1 ARG A 45 16.287 34.331 -15.098 1.00 31.99 N +ATOM 357 NH2 ARG A 45 18.374 34.698 -16.030 1.00 32.43 N +ATOM 358 N ASN A 46 16.553 31.171 -10.554 1.00 18.13 N +ATOM 359 CA ASN A 46 15.304 31.071 -9.782 1.00 20.10 C +ATOM 360 C ASN A 46 14.261 32.063 -10.313 1.00 17.35 C +ATOM 361 O ASN A 46 14.617 33.104 -10.880 1.00 19.15 O +ATOM 362 CB ASN A 46 15.576 31.229 -8.295 1.00 20.05 C +ATOM 363 CG ASN A 46 16.543 30.240 -7.679 1.00 20.12 C +ATOM 364 OD1 ASN A 46 17.659 30.661 -7.346 1.00 21.21 O +ATOM 365 ND2 ASN A 46 16.125 28.975 -7.600 1.00 19.44 N +ATOM 366 N THR A 47 13.027 31.834 -9.887 1.00 19.96 N +ATOM 367 CA THR A 47 11.871 32.654 -10.246 1.00 19.12 C +ATOM 368 C THR A 47 12.001 34.107 -9.810 1.00 19.44 C +ATOM 369 O THR A 47 11.600 34.969 -10.606 1.00 23.16 O +ATOM 370 CB THR A 47 10.499 32.017 -9.789 1.00 17.70 C +ATOM 371 OG1 THR A 47 10.507 32.195 -8.342 1.00 23.76 O +ATOM 372 CG2 THR A 47 10.331 30.554 -10.188 1.00 22.66 C +ATOM 373 N ASP A 48 12.625 34.377 -8.683 1.00 19.25 N +ATOM 374 CA ASP A 48 12.885 35.716 -8.168 1.00 17.33 C +ATOM 375 C ASP A 48 14.010 36.505 -8.823 1.00 17.71 C +ATOM 376 O ASP A 48 14.246 37.621 -8.309 1.00 23.04 O +ATOM 377 CB ASP A 48 13.023 35.735 -6.640 1.00 18.02 C +ATOM 378 CG ASP A 48 14.367 35.174 -6.168 1.00 17.88 C +ATOM 379 OD1 ASP A 48 15.104 34.602 -6.991 1.00 18.55 O +ATOM 380 OD2 ASP A 48 14.750 35.442 -5.013 1.00 22.86 O +ATOM 381 N GLY A 49 14.650 36.018 -9.862 1.00 17.62 N +ATOM 382 CA GLY A 49 15.744 36.702 -10.546 1.00 17.27 C +ATOM 383 C GLY A 49 17.147 36.315 -10.096 1.00 16.80 C +ATOM 384 O GLY A 49 18.168 36.688 -10.694 1.00 20.27 O +ATOM 385 N SER A 50 17.173 35.661 -8.930 1.00 19.61 N +ATOM 386 CA SER A 50 18.435 35.225 -8.279 1.00 14.28 C +ATOM 387 C SER A 50 18.977 33.963 -8.941 1.00 18.09 C +ATOM 388 O SER A 50 18.273 33.255 -9.697 1.00 16.76 O +ATOM 389 CB SER A 50 18.272 35.089 -6.781 1.00 17.64 C +ATOM 390 OG SER A 50 17.530 33.930 -6.463 1.00 17.54 O +ATOM 391 N THR A 51 20.271 33.766 -8.734 1.00 16.00 N +ATOM 392 CA THR A 51 20.970 32.557 -9.202 1.00 13.82 C +ATOM 393 C THR A 51 21.718 31.969 -8.000 1.00 14.58 C +ATOM 394 O THR A 51 22.160 32.712 -7.119 1.00 13.28 O +ATOM 395 CB THR A 51 21.904 32.908 -10.419 1.00 12.66 C +ATOM 396 OG1 THR A 51 21.099 33.576 -11.407 1.00 17.65 O +ATOM 397 CG2 THR A 51 22.686 31.699 -10.952 1.00 14.39 C +ATOM 398 N ASP A 52 21.708 30.650 -7.927 1.00 14.66 N +ATOM 399 CA ASP A 52 22.528 29.900 -6.959 1.00 13.43 C +ATOM 400 C ASP A 52 23.843 29.488 -7.635 1.00 12.35 C +ATOM 401 O ASP A 52 23.847 29.066 -8.805 1.00 15.18 O +ATOM 402 CB ASP A 52 21.765 28.649 -6.554 1.00 14.12 C +ATOM 403 CG ASP A 52 20.396 28.991 -6.002 1.00 20.03 C +ATOM 404 OD1 ASP A 52 20.220 29.928 -5.237 1.00 21.30 O +ATOM 405 OD2 ASP A 52 19.517 28.144 -6.222 1.00 20.92 O +ATOM 406 N TYR A 53 24.924 29.734 -6.905 1.00 14.56 N +ATOM 407 CA TYR A 53 26.278 29.604 -7.450 1.00 13.61 C +ATOM 408 C TYR A 53 27.161 28.595 -6.708 1.00 12.70 C +ATOM 409 O TYR A 53 27.289 28.606 -5.486 1.00 13.36 O +ATOM 410 CB TYR A 53 26.993 30.972 -7.489 1.00 12.10 C +ATOM 411 CG TYR A 53 26.437 31.959 -8.487 1.00 11.48 C +ATOM 412 CD1 TYR A 53 26.843 32.003 -9.821 1.00 17.21 C +ATOM 413 CD2 TYR A 53 25.510 32.907 -8.050 1.00 14.42 C +ATOM 414 CE1 TYR A 53 26.291 32.922 -10.717 1.00 17.40 C +ATOM 415 CE2 TYR A 53 24.907 33.803 -8.932 1.00 12.97 C +ATOM 416 CZ TYR A 53 25.357 33.847 -10.252 1.00 15.91 C +ATOM 417 OH TYR A 53 24.864 34.804 -11.094 1.00 19.31 O +ATOM 418 N GLY A 54 27.751 27.721 -7.493 1.00 16.54 N +ATOM 419 CA GLY A 54 28.845 26.832 -7.121 1.00 15.67 C +ATOM 420 C GLY A 54 28.499 25.601 -6.290 1.00 10.78 C +ATOM 421 O GLY A 54 27.339 25.155 -6.255 1.00 13.16 O +ATOM 422 N ILE A 55 29.560 25.088 -5.684 1.00 15.43 N +ATOM 423 CA ILE A 55 29.452 23.795 -4.994 1.00 14.01 C +ATOM 424 C ILE A 55 28.424 23.748 -3.872 1.00 12.26 C +ATOM 425 O ILE A 55 27.770 22.697 -3.693 1.00 16.92 O +ATOM 426 CB ILE A 55 30.891 23.340 -4.563 1.00 16.64 C +ATOM 427 CG1 ILE A 55 30.785 21.812 -4.319 1.00 17.00 C +ATOM 428 CG2 ILE A 55 31.396 24.210 -3.390 1.00 18.87 C +ATOM 429 CD1 ILE A 55 32.101 21.018 -4.339 1.00 20.60 C +ATOM 430 N LEU A 56 28.216 24.881 -3.236 1.00 12.85 N +ATOM 431 CA LEU A 56 27.173 24.998 -2.203 1.00 14.96 C +ATOM 432 C LEU A 56 25.981 25.838 -2.659 1.00 11.08 C +ATOM 433 O LEU A 56 25.161 26.111 -1.774 1.00 16.40 O +ATOM 434 CB LEU A 56 27.816 25.424 -0.877 1.00 14.44 C +ATOM 435 CG LEU A 56 28.692 24.348 -0.204 1.00 14.92 C +ATOM 436 CD1 LEU A 56 29.331 24.997 1.008 1.00 18.78 C +ATOM 437 CD2 LEU A 56 27.808 23.177 0.192 1.00 19.47 C +ATOM 438 N GLN A 57 25.865 26.104 -3.946 1.00 14.17 N +ATOM 439 CA GLN A 57 24.668 26.785 -4.465 1.00 11.55 C +ATOM 440 C GLN A 57 24.277 27.940 -3.558 1.00 15.09 C +ATOM 441 O GLN A 57 23.116 28.031 -3.094 1.00 15.28 O +ATOM 442 CB GLN A 57 23.521 25.765 -4.549 1.00 13.56 C +ATOM 443 CG GLN A 57 23.733 24.790 -5.699 1.00 12.45 C +ATOM 444 CD GLN A 57 23.684 25.440 -7.069 1.00 14.21 C +ATOM 445 OE1 GLN A 57 22.574 25.602 -7.591 1.00 18.18 O +ATOM 446 NE2 GLN A 57 24.813 25.805 -7.651 1.00 14.86 N +ATOM 447 N ILE A 58 25.164 28.910 -3.428 1.00 14.04 N +ATOM 448 CA ILE A 58 24.930 30.118 -2.649 1.00 16.09 C +ATOM 449 C ILE A 58 24.204 31.163 -3.504 1.00 11.19 C +ATOM 450 O ILE A 58 24.555 31.405 -4.667 1.00 14.34 O +ATOM 451 CB ILE A 58 26.301 30.665 -2.134 1.00 14.90 C +ATOM 452 CG1 ILE A 58 26.751 29.724 -0.985 1.00 13.85 C +ATOM 453 CG2 ILE A 58 26.178 32.135 -1.693 1.00 15.47 C +ATOM 454 CD1 ILE A 58 28.246 29.954 -0.641 1.00 16.12 C +ATOM 455 N ASN A 59 23.145 31.671 -2.905 1.00 14.23 N +ATOM 456 CA ASN A 59 22.146 32.510 -3.590 1.00 10.60 C +ATOM 457 C ASN A 59 22.550 33.974 -3.730 1.00 13.03 C +ATOM 458 O ASN A 59 22.917 34.607 -2.740 1.00 18.49 O +ATOM 459 CB ASN A 59 20.805 32.306 -2.884 1.00 15.76 C +ATOM 460 CG ASN A 59 19.650 32.986 -3.588 1.00 15.71 C +ATOM 461 OD1 ASN A 59 19.464 34.171 -3.244 1.00 18.79 O +ATOM 462 ND2 ASN A 59 19.155 32.320 -4.612 1.00 16.44 N +ATOM 463 N SER A 60 22.268 34.485 -4.941 1.00 11.71 N +ATOM 464 CA SER A 60 22.570 35.910 -5.255 1.00 13.81 C +ATOM 465 C SER A 60 21.687 36.993 -4.642 1.00 15.28 C +ATOM 466 O SER A 60 22.054 38.177 -4.774 1.00 17.67 O +ATOM 467 CB SER A 60 22.643 36.139 -6.750 1.00 14.62 C +ATOM 468 OG SER A 60 21.432 36.007 -7.444 1.00 14.30 O +ATOM 469 N ARG A 61 20.526 36.660 -4.138 1.00 15.88 N +ATOM 470 CA ARG A 61 19.691 37.653 -3.434 1.00 18.54 C +ATOM 471 C ARG A 61 20.277 38.108 -2.106 1.00 19.97 C +ATOM 472 O ARG A 61 20.282 39.333 -1.876 1.00 26.30 O +ATOM 473 CB ARG A 61 18.267 37.195 -3.250 1.00 18.00 C +ATOM 474 CG ARG A 61 17.315 38.350 -2.959 1.00 20.10 C +ATOM 475 CD ARG A 61 16.063 37.657 -2.503 1.00 26.00 C +ATOM 476 NE ARG A 61 15.101 38.653 -2.063 1.00 29.28 N +ATOM 477 CZ ARG A 61 13.794 38.351 -2.111 1.00 29.36 C +ATOM 478 NH1 ARG A 61 13.439 37.257 -2.784 1.00 26.50 N +ATOM 479 NH2 ARG A 61 12.925 39.249 -1.646 1.00 32.93 N +ATOM 480 N TRP A 62 20.773 37.202 -1.273 1.00 16.51 N +ATOM 481 CA TRP A 62 21.321 37.563 0.032 1.00 16.06 C +ATOM 482 C TRP A 62 22.848 37.643 0.101 1.00 15.55 C +ATOM 483 O TRP A 62 23.323 38.396 0.968 1.00 18.96 O +ATOM 484 CB TRP A 62 20.833 36.611 1.134 1.00 17.91 C +ATOM 485 CG TRP A 62 19.360 36.361 1.096 1.00 18.99 C +ATOM 486 CD1 TRP A 62 18.719 35.247 0.643 1.00 20.47 C +ATOM 487 CD2 TRP A 62 18.326 37.305 1.427 1.00 20.79 C +ATOM 488 NE1 TRP A 62 17.360 35.457 0.609 1.00 21.70 N +ATOM 489 CE2 TRP A 62 17.090 36.696 1.096 1.00 21.11 C +ATOM 490 CE3 TRP A 62 18.333 38.584 1.965 1.00 19.84 C +ATOM 491 CZ2 TRP A 62 15.875 37.327 1.307 1.00 22.57 C +ATOM 492 CZ3 TRP A 62 17.115 39.208 2.186 1.00 23.93 C +ATOM 493 CH2 TRP A 62 15.906 38.611 1.814 1.00 19.55 C +ATOM 494 N TRP A 63 23.537 36.731 -0.584 1.00 16.01 N +ATOM 495 CA TRP A 63 24.906 36.398 -0.276 1.00 15.21 C +ATOM 496 C TRP A 63 26.089 36.924 -1.052 1.00 15.84 C +ATOM 497 O TRP A 63 27.142 37.177 -0.432 1.00 19.13 O +ATOM 498 CB TRP A 63 25.068 34.919 0.112 1.00 15.47 C +ATOM 499 CG TRP A 63 24.036 34.428 1.068 1.00 12.46 C +ATOM 500 CD1 TRP A 63 22.959 33.620 0.777 1.00 16.95 C +ATOM 501 CD2 TRP A 63 23.919 34.728 2.450 1.00 13.27 C +ATOM 502 NE1 TRP A 63 22.243 33.344 1.899 1.00 17.64 N +ATOM 503 CE2 TRP A 63 22.761 34.067 2.931 1.00 17.28 C +ATOM 504 CE3 TRP A 63 24.694 35.480 3.323 1.00 15.25 C +ATOM 505 CZ2 TRP A 63 22.393 34.133 4.278 1.00 18.56 C +ATOM 506 CZ3 TRP A 63 24.302 35.586 4.648 1.00 18.76 C +ATOM 507 CH2 TRP A 63 23.179 34.910 5.117 1.00 19.36 C +ATOM 508 N CYS A 64 25.962 36.914 -2.353 1.00 17.00 N +ATOM 509 CA CYS A 64 26.985 37.433 -3.271 1.00 15.76 C +ATOM 510 C CYS A 64 26.324 38.355 -4.286 1.00 15.97 C +ATOM 511 O CYS A 64 25.102 38.314 -4.475 1.00 13.75 O +ATOM 512 CB CYS A 64 27.638 36.265 -3.988 1.00 16.64 C +ATOM 513 SG CYS A 64 26.562 35.233 -5.007 1.00 17.83 S +ATOM 514 N ASN A 65 27.157 39.165 -4.908 1.00 17.73 N +ATOM 515 CA ASN A 65 26.700 40.134 -5.920 1.00 16.46 C +ATOM 516 C ASN A 65 26.985 39.646 -7.342 1.00 13.16 C +ATOM 517 O ASN A 65 28.130 39.316 -7.647 1.00 15.95 O +ATOM 518 CB ASN A 65 27.381 41.492 -5.712 1.00 19.19 C +ATOM 519 CG ASN A 65 26.910 42.423 -6.824 1.00 19.59 C +ATOM 520 OD1 ASN A 65 25.736 42.559 -7.141 1.00 23.26 O +ATOM 521 ND2 ASN A 65 27.914 42.938 -7.527 1.00 25.56 N +ATOM 522 N ASP A 66 25.920 39.484 -8.116 1.00 15.60 N +ATOM 523 CA ASP A 66 26.102 39.180 -9.545 1.00 15.28 C +ATOM 524 C ASP A 66 25.664 40.317 -10.460 1.00 15.23 C +ATOM 525 O ASP A 66 25.719 40.143 -11.673 1.00 17.91 O +ATOM 526 CB ASP A 66 25.462 37.858 -9.894 1.00 14.84 C +ATOM 527 CG ASP A 66 23.951 37.903 -9.833 1.00 12.12 C +ATOM 528 OD1 ASP A 66 23.288 38.898 -9.542 1.00 16.56 O +ATOM 529 OD2 ASP A 66 23.455 36.769 -10.048 1.00 16.91 O +ATOM 530 N GLY A 67 25.234 41.408 -9.860 1.00 18.13 N +ATOM 531 CA GLY A 67 24.817 42.607 -10.577 1.00 19.40 C +ATOM 532 C GLY A 67 23.544 42.553 -11.401 1.00 20.37 C +ATOM 533 O GLY A 67 23.191 43.542 -12.055 1.00 18.23 O +ATOM 534 N ARG A 68 22.822 41.441 -11.348 1.00 18.79 N +ATOM 535 CA ARG A 68 21.560 41.308 -12.092 1.00 19.77 C +ATOM 536 C ARG A 68 20.424 40.765 -11.243 1.00 18.48 C +ATOM 537 O ARG A 68 19.385 40.383 -11.795 1.00 21.54 O +ATOM 538 CB ARG A 68 21.746 40.454 -13.339 1.00 18.97 C +ATOM 539 CG ARG A 68 22.197 39.048 -12.946 1.00 18.77 C +ATOM 540 CD ARG A 68 22.477 38.187 -14.122 1.00 23.25 C +ATOM 541 NE ARG A 68 21.439 37.201 -14.281 1.00 29.75 N +ATOM 542 CZ ARG A 68 20.242 37.255 -14.855 1.00 28.71 C +ATOM 543 NH1 ARG A 68 19.503 38.311 -15.145 1.00 32.34 N +ATOM 544 NH2 ARG A 68 19.897 36.127 -15.497 1.00 33.10 N +ATOM 545 N THR A 69 20.590 40.896 -9.952 1.00 18.68 N +ATOM 546 CA THR A 69 19.607 40.408 -8.973 1.00 20.02 C +ATOM 547 C THR A 69 18.994 41.597 -8.224 1.00 16.46 C +ATOM 548 O THR A 69 19.683 42.241 -7.425 1.00 23.13 O +ATOM 549 CB THR A 69 20.208 39.384 -7.910 1.00 19.66 C +ATOM 550 OG1 THR A 69 20.851 38.334 -8.715 1.00 19.19 O +ATOM 551 CG2 THR A 69 19.123 38.863 -6.955 1.00 18.58 C +ATOM 552 N PRO A 70 17.687 41.741 -8.418 1.00 20.50 N +ATOM 553 CA PRO A 70 16.953 42.824 -7.733 1.00 21.73 C +ATOM 554 C PRO A 70 16.955 42.520 -6.242 1.00 22.11 C +ATOM 555 O PRO A 70 16.739 41.356 -5.886 1.00 27.13 O +ATOM 556 CB PRO A 70 15.557 42.749 -8.333 1.00 23.50 C +ATOM 557 CG PRO A 70 15.759 42.092 -9.671 1.00 24.66 C +ATOM 558 CD PRO A 70 16.887 41.095 -9.463 1.00 21.80 C +ATOM 559 N GLY A 71 17.163 43.493 -5.401 1.00 21.67 N +ATOM 560 CA GLY A 71 17.135 43.383 -3.947 1.00 24.03 C +ATOM 561 C GLY A 71 18.328 42.710 -3.287 1.00 26.98 C +ATOM 562 O GLY A 71 18.257 42.257 -2.126 1.00 32.77 O +ATOM 563 N SER A 72 19.418 42.627 -4.018 1.00 26.40 N +ATOM 564 CA SER A 72 20.665 41.976 -3.588 1.00 26.94 C +ATOM 565 C SER A 72 21.139 42.582 -2.276 1.00 24.66 C +ATOM 566 O SER A 72 21.055 43.819 -2.125 1.00 29.91 O +ATOM 567 CB SER A 72 21.659 42.002 -4.737 1.00 25.16 C +ATOM 568 OG SER A 72 23.015 41.835 -4.343 1.00 32.21 O +ATOM 569 N ARG A 73 21.646 41.775 -1.369 1.00 22.51 N +ATOM 570 CA ARG A 73 22.254 42.196 -0.113 1.00 22.60 C +ATOM 571 C ARG A 73 23.774 42.058 0.029 1.00 22.33 C +ATOM 572 O ARG A 73 24.425 42.749 0.849 1.00 27.92 O +ATOM 573 CB ARG A 73 21.615 41.555 1.127 1.00 20.14 C +ATOM 574 CG ARG A 73 20.187 41.983 1.439 1.00 22.29 C +ATOM 575 CD ARG A 73 20.209 43.299 2.123 1.00 26.95 C +ATOM 576 NE ARG A 73 18.928 43.771 2.617 1.00 33.74 N +ATOM 577 CZ ARG A 73 17.980 44.302 1.823 1.00 33.76 C +ATOM 578 NH1 ARG A 73 17.841 43.934 0.544 1.00 35.78 N +ATOM 579 NH2 ARG A 73 17.571 45.545 2.146 1.00 33.83 N +ATOM 580 N ASN A 74 24.346 41.143 -0.705 1.00 17.74 N +ATOM 581 CA ASN A 74 25.780 40.833 -0.695 1.00 18.87 C +ATOM 582 C ASN A 74 26.315 40.718 0.731 1.00 16.22 C +ATOM 583 O ASN A 74 27.255 41.471 1.060 1.00 20.87 O +ATOM 584 CB ASN A 74 26.565 41.786 -1.589 1.00 19.51 C +ATOM 585 CG ASN A 74 27.982 41.328 -1.909 1.00 16.31 C +ATOM 586 OD1 ASN A 74 28.318 40.169 -1.652 1.00 18.61 O +ATOM 587 ND2 ASN A 74 28.838 42.192 -2.436 1.00 19.22 N +ATOM 588 N LEU A 75 25.723 39.860 1.544 1.00 15.25 N +ATOM 589 CA LEU A 75 26.153 39.690 2.930 1.00 14.82 C +ATOM 590 C LEU A 75 27.518 39.011 3.085 1.00 16.78 C +ATOM 591 O LEU A 75 28.167 39.197 4.141 1.00 22.00 O +ATOM 592 CB LEU A 75 25.009 39.055 3.733 1.00 16.64 C +ATOM 593 CG LEU A 75 23.815 39.998 3.979 1.00 17.08 C +ATOM 594 CD1 LEU A 75 22.574 39.193 4.336 1.00 25.82 C +ATOM 595 CD2 LEU A 75 24.156 40.969 5.110 1.00 20.95 C +ATOM 596 N CYS A 76 27.973 38.312 2.061 1.00 17.66 N +ATOM 597 CA CYS A 76 29.299 37.680 2.111 1.00 16.46 C +ATOM 598 C CYS A 76 30.390 38.598 1.589 1.00 15.66 C +ATOM 599 O CYS A 76 31.573 38.229 1.568 1.00 17.59 O +ATOM 600 CB CYS A 76 29.396 36.303 1.477 1.00 17.61 C +ATOM 601 SG CYS A 76 28.595 34.961 2.361 1.00 18.07 S +ATOM 602 N ASN A 77 29.964 39.681 0.971 1.00 18.55 N +ATOM 603 CA ASN A 77 30.827 40.725 0.395 1.00 19.18 C +ATOM 604 C ASN A 77 31.711 40.163 -0.702 1.00 16.58 C +ATOM 605 O ASN A 77 32.947 40.331 -0.689 1.00 21.61 O +ATOM 606 CB ASN A 77 31.589 41.488 1.483 1.00 17.72 C +ATOM 607 CG ASN A 77 32.126 42.812 0.957 1.00 20.20 C +ATOM 608 OD1 ASN A 77 31.351 43.589 0.396 1.00 28.77 O +ATOM 609 ND2 ASN A 77 33.430 43.012 1.047 1.00 27.05 N +ATOM 610 N ILE A 78 31.149 39.408 -1.616 1.00 18.88 N +ATOM 611 CA ILE A 78 31.904 38.780 -2.713 1.00 20.14 C +ATOM 612 C ILE A 78 31.099 38.850 -4.013 1.00 17.08 C +ATOM 613 O ILE A 78 29.864 38.688 -3.972 1.00 16.28 O +ATOM 614 CB ILE A 78 32.183 37.255 -2.384 1.00 19.93 C +ATOM 615 CG1 ILE A 78 30.882 36.639 -1.851 1.00 21.17 C +ATOM 616 CG2 ILE A 78 33.437 37.003 -1.524 1.00 24.25 C +ATOM 617 CD1 ILE A 78 30.936 35.120 -1.546 1.00 25.54 C +ATOM 618 N PRO A 79 31.828 38.795 -5.108 1.00 16.64 N +ATOM 619 CA PRO A 79 31.195 38.634 -6.421 1.00 19.12 C +ATOM 620 C PRO A 79 30.792 37.146 -6.446 1.00 14.71 C +ATOM 621 O PRO A 79 31.576 36.273 -6.005 1.00 17.48 O +ATOM 622 CB PRO A 79 32.261 38.967 -7.445 1.00 18.74 C +ATOM 623 CG PRO A 79 33.555 39.029 -6.710 1.00 18.97 C +ATOM 624 CD PRO A 79 33.276 39.023 -5.215 1.00 16.79 C +ATOM 625 N CYS A 80 29.629 36.908 -7.033 1.00 13.55 N +ATOM 626 CA CYS A 80 29.167 35.522 -7.236 1.00 14.33 C +ATOM 627 C CYS A 80 30.150 34.716 -8.073 1.00 13.92 C +ATOM 628 O CYS A 80 30.214 33.484 -7.880 1.00 16.74 O +ATOM 629 CB CYS A 80 27.749 35.338 -7.747 1.00 16.10 C +ATOM 630 SG CYS A 80 26.471 36.160 -6.762 1.00 16.97 S +ATOM 631 N SER A 81 30.769 35.294 -9.083 1.00 15.04 N +ATOM 632 CA SER A 81 31.775 34.671 -9.933 1.00 15.64 C +ATOM 633 C SER A 81 32.907 34.027 -9.109 1.00 14.90 C +ATOM 634 O SER A 81 33.338 32.939 -9.561 1.00 21.08 O +ATOM 635 CB SER A 81 32.381 35.643 -10.953 1.00 18.65 C +ATOM 636 OG SER A 81 33.035 36.681 -10.235 1.00 20.86 O +ATOM 637 N ALA A 82 33.226 34.572 -7.950 1.00 15.59 N +ATOM 638 CA ALA A 82 34.272 33.963 -7.107 1.00 18.01 C +ATOM 639 C ALA A 82 33.869 32.604 -6.540 1.00 18.75 C +ATOM 640 O ALA A 82 34.703 31.798 -6.081 1.00 19.60 O +ATOM 641 CB ALA A 82 34.722 34.930 -6.020 1.00 20.54 C +ATOM 642 N LEU A 83 32.571 32.338 -6.519 1.00 15.36 N +ATOM 643 CA LEU A 83 31.973 31.093 -6.042 1.00 18.66 C +ATOM 644 C LEU A 83 32.060 29.962 -7.049 1.00 17.84 C +ATOM 645 O LEU A 83 31.671 28.815 -6.739 1.00 21.50 O +ATOM 646 CB LEU A 83 30.618 31.424 -5.431 1.00 17.11 C +ATOM 647 CG LEU A 83 30.511 32.364 -4.244 1.00 16.65 C +ATOM 648 CD1 LEU A 83 29.040 32.573 -3.857 1.00 18.78 C +ATOM 649 CD2 LEU A 83 31.277 31.872 -3.020 1.00 20.62 C +ATOM 650 N LEU A 84 32.473 30.271 -8.267 1.00 17.31 N +ATOM 651 CA LEU A 84 32.610 29.295 -9.347 1.00 16.38 C +ATOM 652 C LEU A 84 34.047 28.841 -9.570 1.00 19.37 C +ATOM 653 O LEU A 84 34.334 28.243 -10.622 1.00 23.48 O +ATOM 654 CB LEU A 84 31.914 29.793 -10.614 1.00 20.87 C +ATOM 655 CG LEU A 84 30.446 30.183 -10.573 1.00 14.26 C +ATOM 656 CD1 LEU A 84 30.014 30.771 -11.916 1.00 21.15 C +ATOM 657 CD2 LEU A 84 29.597 28.942 -10.329 1.00 18.96 C +ATOM 658 N SER A 85 34.942 29.197 -8.676 1.00 21.00 N +ATOM 659 CA SER A 85 36.340 28.754 -8.727 1.00 20.86 C +ATOM 660 C SER A 85 36.474 27.245 -8.497 1.00 19.65 C +ATOM 661 O SER A 85 35.765 26.640 -7.681 1.00 20.62 O +ATOM 662 CB SER A 85 37.109 29.482 -7.633 1.00 20.91 C +ATOM 663 OG SER A 85 38.484 29.212 -7.834 1.00 26.88 O +ATOM 664 N SER A 86 37.619 26.742 -8.943 1.00 22.57 N +ATOM 665 CA SER A 86 38.008 25.343 -8.700 1.00 20.44 C +ATOM 666 C SER A 86 38.388 25.153 -7.233 1.00 19.98 C +ATOM 667 O SER A 86 38.314 24.055 -6.671 1.00 23.62 O +ATOM 668 CB SER A 86 39.107 24.868 -9.650 1.00 23.76 C +ATOM 669 OG SER A 86 38.401 24.215 -10.691 1.00 30.29 O +ATOM 670 N ASP A 87 38.846 26.244 -6.668 1.00 19.74 N +ATOM 671 CA ASP A 87 39.282 26.393 -5.271 1.00 18.72 C +ATOM 672 C ASP A 87 37.999 26.657 -4.471 1.00 17.93 C +ATOM 673 O ASP A 87 37.490 27.762 -4.712 1.00 20.06 O +ATOM 674 CB ASP A 87 40.221 27.607 -5.212 1.00 21.65 C +ATOM 675 CG ASP A 87 40.762 28.041 -3.869 1.00 23.98 C +ATOM 676 OD1 ASP A 87 40.335 27.702 -2.742 1.00 26.26 O +ATOM 677 OD2 ASP A 87 41.785 28.802 -3.933 1.00 32.04 O +ATOM 678 N ILE A 88 37.732 25.850 -3.461 1.00 15.96 N +ATOM 679 CA ILE A 88 36.515 26.089 -2.658 1.00 16.22 C +ATOM 680 C ILE A 88 36.582 27.142 -1.563 1.00 14.43 C +ATOM 681 O ILE A 88 35.600 27.315 -0.801 1.00 16.28 O +ATOM 682 CB ILE A 88 35.993 24.736 -2.046 1.00 16.45 C +ATOM 683 CG1 ILE A 88 36.920 24.200 -0.934 1.00 15.71 C +ATOM 684 CG2 ILE A 88 35.587 23.743 -3.163 1.00 19.87 C +ATOM 685 CD1 ILE A 88 36.363 23.226 0.137 1.00 17.47 C +ATOM 686 N THR A 89 37.742 27.786 -1.369 1.00 14.21 N +ATOM 687 CA THR A 89 37.913 28.772 -0.306 1.00 16.87 C +ATOM 688 C THR A 89 36.736 29.761 -0.161 1.00 11.06 C +ATOM 689 O THR A 89 36.341 29.983 1.000 1.00 13.83 O +ATOM 690 CB THR A 89 39.267 29.591 -0.423 1.00 18.61 C +ATOM 691 OG1 THR A 89 40.339 28.592 -0.514 1.00 20.24 O +ATOM 692 CG2 THR A 89 39.419 30.553 0.766 1.00 17.79 C +ATOM 693 N ALA A 90 36.507 30.482 -1.242 1.00 17.37 N +ATOM 694 CA ALA A 90 35.479 31.555 -1.244 1.00 16.63 C +ATOM 695 C ALA A 90 34.125 31.066 -0.735 1.00 14.09 C +ATOM 696 O ALA A 90 33.366 31.671 0.065 1.00 15.68 O +ATOM 697 CB ALA A 90 35.366 32.212 -2.617 1.00 17.13 C +ATOM 698 N SER A 91 33.746 29.919 -1.296 1.00 13.62 N +ATOM 699 CA SER A 91 32.494 29.220 -1.024 1.00 11.35 C +ATOM 700 C SER A 91 32.429 28.817 0.467 1.00 11.70 C +ATOM 701 O SER A 91 31.407 29.057 1.110 1.00 14.31 O +ATOM 702 CB SER A 91 32.282 28.035 -1.917 1.00 13.48 C +ATOM 703 OG SER A 91 32.020 28.335 -3.260 1.00 14.66 O +ATOM 704 N VAL A 92 33.502 28.211 0.953 1.00 13.17 N +ATOM 705 CA VAL A 92 33.595 27.846 2.381 1.00 13.44 C +ATOM 706 C VAL A 92 33.477 29.105 3.261 1.00 12.00 C +ATOM 707 O VAL A 92 32.716 29.020 4.244 1.00 13.83 O +ATOM 708 CB VAL A 92 34.890 27.038 2.650 1.00 11.69 C +ATOM 709 CG1 VAL A 92 35.125 26.987 4.151 1.00 16.05 C +ATOM 710 CG2 VAL A 92 34.776 25.672 2.013 1.00 15.64 C +ATOM 711 N ASN A 93 34.199 30.163 2.912 1.00 15.12 N +ATOM 712 CA ASN A 93 34.160 31.413 3.685 1.00 15.10 C +ATOM 713 C ASN A 93 32.747 32.034 3.803 1.00 9.80 C +ATOM 714 O ASN A 93 32.361 32.393 4.908 1.00 16.51 O +ATOM 715 CB ASN A 93 35.168 32.472 3.247 1.00 16.33 C +ATOM 716 CG ASN A 93 36.582 32.083 3.642 1.00 19.02 C +ATOM 717 OD1 ASN A 93 37.546 32.671 3.120 1.00 29.57 O +ATOM 718 ND2 ASN A 93 36.710 31.188 4.631 1.00 24.29 N +ATOM 719 N CYS A 94 32.096 31.996 2.670 1.00 15.72 N +ATOM 720 CA CYS A 94 30.695 32.449 2.633 1.00 13.58 C +ATOM 721 C CYS A 94 29.778 31.527 3.424 1.00 13.05 C +ATOM 722 O CYS A 94 28.973 32.025 4.236 1.00 16.42 O +ATOM 723 CB CYS A 94 30.291 32.704 1.185 1.00 12.05 C +ATOM 724 SG CYS A 94 28.644 33.431 1.046 1.00 15.81 S +ATOM 725 N ALA A 95 29.945 30.225 3.263 1.00 13.56 N +ATOM 726 CA ALA A 95 29.134 29.227 3.969 1.00 15.63 C +ATOM 727 C ALA A 95 29.236 29.330 5.491 1.00 10.80 C +ATOM 728 O ALA A 95 28.222 29.180 6.179 1.00 12.93 O +ATOM 729 CB ALA A 95 29.495 27.794 3.612 1.00 14.09 C +ATOM 730 N LYS A 96 30.424 29.628 5.987 1.00 11.19 N +ATOM 731 CA LYS A 96 30.627 29.912 7.419 1.00 13.27 C +ATOM 732 C LYS A 96 29.802 31.115 7.906 1.00 13.38 C +ATOM 733 O LYS A 96 29.296 31.011 9.027 1.00 15.75 O +ATOM 734 CB LYS A 96 32.100 30.112 7.775 1.00 12.67 C +ATOM 735 CG LYS A 96 32.874 28.792 7.697 1.00 11.93 C +ATOM 736 CD LYS A 96 34.358 29.071 7.879 1.00 15.55 C +ATOM 737 CE LYS A 96 35.205 27.816 7.938 1.00 18.03 C +ATOM 738 NZ LYS A 96 36.610 28.242 8.169 1.00 20.72 N +ATOM 739 N LYS A 97 29.660 32.101 7.049 1.00 12.90 N +ATOM 740 CA LYS A 97 28.811 33.263 7.379 1.00 16.43 C +ATOM 741 C LYS A 97 27.333 32.905 7.386 1.00 18.88 C +ATOM 742 O LYS A 97 26.570 33.318 8.272 1.00 19.20 O +ATOM 743 CB LYS A 97 29.087 34.456 6.470 1.00 18.97 C +ATOM 744 CG LYS A 97 30.537 34.927 6.563 1.00 19.81 C +ATOM 745 CD LYS A 97 30.841 36.073 5.610 1.00 22.00 C +ATOM 746 CE LYS A 97 32.340 36.293 5.510 1.00 23.71 C +ATOM 747 NZ LYS A 97 32.569 37.524 4.708 1.00 29.75 N +ATOM 748 N ILE A 98 26.897 32.127 6.416 1.00 15.72 N +ATOM 749 CA ILE A 98 25.520 31.693 6.266 1.00 16.36 C +ATOM 750 C ILE A 98 25.030 30.871 7.453 1.00 16.70 C +ATOM 751 O ILE A 98 24.059 31.254 8.126 1.00 18.80 O +ATOM 752 CB ILE A 98 25.307 30.997 4.896 1.00 15.14 C +ATOM 753 CG1 ILE A 98 25.643 31.910 3.702 1.00 13.63 C +ATOM 754 CG2 ILE A 98 23.887 30.386 4.817 1.00 15.62 C +ATOM 755 CD1 ILE A 98 25.620 31.204 2.321 1.00 17.82 C +ATOM 756 N VAL A 99 25.875 29.966 7.915 1.00 16.73 N +ATOM 757 CA VAL A 99 25.488 29.009 8.955 1.00 18.71 C +ATOM 758 C VAL A 99 25.431 29.697 10.316 1.00 20.36 C +ATOM 759 O VAL A 99 24.737 29.212 11.233 1.00 25.30 O +ATOM 760 CB VAL A 99 26.398 27.774 8.859 1.00 16.94 C +ATOM 761 CG1 VAL A 99 27.811 28.138 9.279 1.00 19.19 C +ATOM 762 CG2 VAL A 99 25.834 26.594 9.632 1.00 18.97 C +ATOM 763 N SER A 100 26.205 30.752 10.409 1.00 17.04 N +ATOM 764 CA SER A 100 26.297 31.529 11.650 1.00 23.81 C +ATOM 765 C SER A 100 25.124 32.495 11.765 1.00 24.03 C +ATOM 766 O SER A 100 24.995 33.131 12.820 1.00 28.66 O +ATOM 767 CB SER A 100 27.647 32.194 11.723 1.00 19.71 C +ATOM 768 OG SER A 100 28.714 31.264 11.818 1.00 25.04 O +ATOM 769 N ASP A 101 24.307 32.599 10.750 1.00 25.78 N +ATOM 770 CA ASP A 101 23.162 33.495 10.650 1.00 26.98 C +ATOM 771 C ASP A 101 21.924 33.183 11.481 1.00 28.34 C +ATOM 772 O ASP A 101 21.132 34.143 11.678 1.00 31.88 O +ATOM 773 CB ASP A 101 22.806 33.854 9.207 1.00 27.75 C +ATOM 774 CG ASP A 101 22.426 35.320 9.009 1.00 30.86 C +ATOM 775 OD1 ASP A 101 23.248 36.223 9.266 1.00 34.67 O +ATOM 776 OD2 ASP A 101 21.276 35.519 8.551 1.00 32.70 O +ATOM 777 N GLY A 102 21.723 31.942 11.887 1.00 28.87 N +ATOM 778 CA GLY A 102 20.622 31.656 12.823 1.00 30.67 C +ATOM 779 C GLY A 102 19.812 30.413 12.505 1.00 27.92 C +ATOM 780 O GLY A 102 19.195 29.898 13.458 1.00 30.42 O +ATOM 781 N ASN A 103 19.805 30.005 11.244 1.00 29.26 N +ATOM 782 CA ASN A 103 19.076 28.799 10.848 1.00 25.22 C +ATOM 783 C ASN A 103 19.990 27.600 10.597 1.00 22.06 C +ATOM 784 O ASN A 103 19.472 26.579 10.117 1.00 24.23 O +ATOM 785 CB ASN A 103 17.976 29.046 9.824 1.00 24.87 C +ATOM 786 CG ASN A 103 16.708 28.245 10.063 1.00 27.08 C +ATOM 787 OD1 ASN A 103 16.513 27.577 11.098 1.00 30.30 O +ATOM 788 ND2 ASN A 103 15.672 28.428 9.240 1.00 30.15 N +ATOM 789 N GLY A 104 21.240 27.711 10.997 1.00 23.20 N +ATOM 790 CA GLY A 104 22.177 26.567 10.860 1.00 19.51 C +ATOM 791 C GLY A 104 22.173 26.142 9.388 1.00 15.58 C +ATOM 792 O GLY A 104 22.151 27.040 8.541 1.00 22.50 O +ATOM 793 N MET A 105 22.185 24.847 9.115 1.00 17.51 N +ATOM 794 CA MET A 105 22.278 24.370 7.724 1.00 16.07 C +ATOM 795 C MET A 105 20.915 24.309 7.063 1.00 13.35 C +ATOM 796 O MET A 105 20.902 23.921 5.871 1.00 15.50 O +ATOM 797 CB MET A 105 23.036 23.048 7.632 1.00 19.32 C +ATOM 798 CG MET A 105 24.519 23.221 7.871 1.00 17.10 C +ATOM 799 SD MET A 105 25.379 21.660 7.491 1.00 20.27 S +ATOM 800 CE MET A 105 25.369 21.706 5.703 1.00 20.03 C +ATOM 801 N ASN A 106 19.896 24.839 7.735 1.00 14.64 N +ATOM 802 CA ASN A 106 18.557 24.898 7.103 1.00 18.58 C +ATOM 803 C ASN A 106 18.566 25.831 5.892 1.00 18.20 C +ATOM 804 O ASN A 106 17.678 25.748 5.021 1.00 22.14 O +ATOM 805 CB ASN A 106 17.420 25.150 8.084 1.00 19.18 C +ATOM 806 CG ASN A 106 17.207 23.938 8.967 1.00 19.21 C +ATOM 807 OD1 ASN A 106 16.836 22.867 8.443 1.00 24.65 O +ATOM 808 ND2 ASN A 106 17.542 24.047 10.255 1.00 25.28 N +ATOM 809 N ALA A 107 19.617 26.647 5.800 1.00 18.54 N +ATOM 810 CA ALA A 107 19.824 27.514 4.634 1.00 18.74 C +ATOM 811 C ALA A 107 20.007 26.744 3.329 1.00 16.80 C +ATOM 812 O ALA A 107 19.734 27.292 2.260 1.00 20.63 O +ATOM 813 CB ALA A 107 21.060 28.374 4.877 1.00 19.47 C +ATOM 814 N TRP A 108 20.371 25.465 3.434 1.00 16.46 N +ATOM 815 CA TRP A 108 20.532 24.624 2.241 1.00 14.68 C +ATOM 816 C TRP A 108 19.317 23.688 2.110 1.00 17.55 C +ATOM 817 O TRP A 108 19.240 22.816 2.993 1.00 20.05 O +ATOM 818 CB TRP A 108 21.840 23.826 2.338 1.00 16.18 C +ATOM 819 CG TRP A 108 23.000 24.736 2.026 1.00 15.50 C +ATOM 820 CD1 TRP A 108 23.360 25.234 0.803 1.00 15.45 C +ATOM 821 CD2 TRP A 108 23.798 25.437 2.991 1.00 15.57 C +ATOM 822 NE1 TRP A 108 24.414 26.102 0.952 1.00 17.40 N +ATOM 823 CE2 TRP A 108 24.711 26.237 2.272 1.00 15.78 C +ATOM 824 CE3 TRP A 108 23.833 25.426 4.379 1.00 12.79 C +ATOM 825 CZ2 TRP A 108 25.682 26.985 2.917 1.00 15.77 C +ATOM 826 CZ3 TRP A 108 24.773 26.200 5.033 1.00 16.28 C +ATOM 827 CH2 TRP A 108 25.691 26.960 4.298 1.00 16.65 C +ATOM 828 N VAL A 109 18.487 23.925 1.101 1.00 15.35 N +ATOM 829 CA VAL A 109 17.265 23.096 1.025 1.00 19.96 C +ATOM 830 C VAL A 109 17.573 21.611 0.884 1.00 17.16 C +ATOM 831 O VAL A 109 16.923 20.811 1.587 1.00 20.77 O +ATOM 832 CB VAL A 109 16.146 23.660 0.145 1.00 21.94 C +ATOM 833 CG1 VAL A 109 16.607 23.905 -1.285 1.00 27.84 C +ATOM 834 CG2 VAL A 109 14.901 22.783 0.136 1.00 21.22 C +ATOM 835 N ALA A 110 18.562 21.308 0.075 1.00 20.97 N +ATOM 836 CA ALA A 110 18.972 19.935 -0.237 1.00 18.78 C +ATOM 837 C ALA A 110 19.502 19.244 1.006 1.00 18.30 C +ATOM 838 O ALA A 110 19.197 18.046 1.174 1.00 18.47 O +ATOM 839 CB ALA A 110 19.857 19.777 -1.455 1.00 20.83 C +ATOM 840 N TRP A 111 20.121 19.983 1.892 1.00 16.62 N +ATOM 841 CA TRP A 111 20.551 19.500 3.202 1.00 15.74 C +ATOM 842 C TRP A 111 19.343 19.085 4.046 1.00 19.12 C +ATOM 843 O TRP A 111 19.284 17.986 4.643 1.00 16.20 O +ATOM 844 CB TRP A 111 21.486 20.451 3.925 1.00 14.63 C +ATOM 845 CG TRP A 111 21.858 19.904 5.252 1.00 14.87 C +ATOM 846 CD1 TRP A 111 22.856 18.975 5.486 1.00 18.11 C +ATOM 847 CD2 TRP A 111 21.199 20.093 6.504 1.00 16.63 C +ATOM 848 NE1 TRP A 111 22.848 18.592 6.808 1.00 17.16 N +ATOM 849 CE2 TRP A 111 21.798 19.221 7.435 1.00 16.77 C +ATOM 850 CE3 TRP A 111 20.182 20.959 6.908 1.00 15.16 C +ATOM 851 CZ2 TRP A 111 21.492 19.284 8.784 1.00 17.69 C +ATOM 852 CZ3 TRP A 111 19.818 20.954 8.240 1.00 16.88 C +ATOM 853 CH2 TRP A 111 20.443 20.110 9.162 1.00 19.73 C +ATOM 854 N ARG A 112 18.438 20.038 4.228 1.00 17.47 N +ATOM 855 CA ARG A 112 17.185 19.830 4.955 1.00 19.60 C +ATOM 856 C ARG A 112 16.472 18.593 4.391 1.00 17.68 C +ATOM 857 O ARG A 112 16.000 17.792 5.220 1.00 22.77 O +ATOM 858 CB ARG A 112 16.214 20.990 4.944 1.00 17.57 C +ATOM 859 CG ARG A 112 16.592 22.438 5.091 1.00 25.27 C +ATOM 860 CD ARG A 112 15.368 23.296 5.135 1.00 21.23 C +ATOM 861 NE ARG A 112 14.776 23.555 3.836 1.00 28.06 N +ATOM 862 CZ ARG A 112 14.785 24.695 3.143 1.00 27.89 C +ATOM 863 NH1 ARG A 112 15.596 25.721 3.383 1.00 30.12 N +ATOM 864 NH2 ARG A 112 13.717 25.008 2.398 1.00 30.39 N +ATOM 865 N ASN A 113 16.307 18.521 3.074 1.00 19.43 N +ATOM 866 CA ASN A 113 15.464 17.463 2.491 1.00 20.16 C +ATOM 867 C ASN A 113 16.111 16.083 2.586 1.00 21.26 C +ATOM 868 O ASN A 113 15.454 15.054 2.808 1.00 24.90 O +ATOM 869 CB ASN A 113 14.966 17.779 1.085 1.00 20.43 C +ATOM 870 CG ASN A 113 14.003 18.961 1.018 1.00 16.63 C +ATOM 871 OD1 ASN A 113 13.454 19.344 2.059 1.00 25.68 O +ATOM 872 ND2 ASN A 113 13.840 19.555 -0.159 1.00 22.00 N +ATOM 873 N ARG A 114 17.401 16.041 2.355 1.00 19.72 N +ATOM 874 CA ARG A 114 18.156 14.836 2.042 1.00 21.43 C +ATOM 875 C ARG A 114 19.258 14.440 2.991 1.00 22.71 C +ATOM 876 O ARG A 114 19.505 13.217 3.097 1.00 24.85 O +ATOM 877 CB ARG A 114 18.622 14.910 0.576 1.00 21.05 C +ATOM 878 CG ARG A 114 17.395 14.614 -0.300 1.00 26.59 C +ATOM 879 CD ARG A 114 17.729 14.399 -1.731 1.00 26.92 C +ATOM 880 NE ARG A 114 18.153 15.677 -2.301 1.00 33.46 N +ATOM 881 CZ ARG A 114 17.826 16.080 -3.535 1.00 32.00 C +ATOM 882 NH1 ARG A 114 17.378 15.225 -4.456 1.00 36.02 N +ATOM 883 NH2 ARG A 114 17.735 17.388 -3.796 1.00 36.05 N +ATOM 884 N CYS A 115 19.743 15.372 3.773 1.00 17.56 N +ATOM 885 CA CYS A 115 20.843 15.041 4.708 1.00 15.08 C +ATOM 886 C CYS A 115 20.448 14.933 6.159 1.00 16.64 C +ATOM 887 O CYS A 115 20.972 14.116 6.940 1.00 21.71 O +ATOM 888 CB CYS A 115 21.991 16.018 4.426 1.00 15.21 C +ATOM 889 SG CYS A 115 22.563 16.009 2.739 1.00 19.35 S +ATOM 890 N LYS A 116 19.714 15.918 6.619 1.00 18.76 N +ATOM 891 CA LYS A 116 19.332 16.085 8.025 1.00 19.14 C +ATOM 892 C LYS A 116 18.634 14.821 8.518 1.00 21.91 C +ATOM 893 O LYS A 116 17.819 14.234 7.785 1.00 24.78 O +ATOM 894 CB LYS A 116 18.492 17.363 8.126 1.00 21.01 C +ATOM 895 CG LYS A 116 17.930 17.512 9.547 1.00 21.28 C +ATOM 896 CD LYS A 116 16.745 18.481 9.554 1.00 25.86 C +ATOM 897 CE LYS A 116 16.658 19.147 10.918 1.00 25.58 C +ATOM 898 NZ LYS A 116 15.454 20.010 11.047 1.00 34.69 N +ATOM 899 N GLY A 117 19.152 14.318 9.635 1.00 26.39 N +ATOM 900 CA GLY A 117 18.558 13.126 10.267 1.00 29.06 C +ATOM 901 C GLY A 117 19.018 11.781 9.733 1.00 28.29 C +ATOM 902 O GLY A 117 18.499 10.733 10.164 1.00 31.90 O +ATOM 903 N THR A 118 19.892 11.802 8.740 1.00 26.88 N +ATOM 904 CA THR A 118 20.473 10.578 8.171 1.00 22.31 C +ATOM 905 C THR A 118 21.868 10.375 8.761 1.00 21.43 C +ATOM 906 O THR A 118 22.321 11.119 9.650 1.00 22.31 O +ATOM 907 CB THR A 118 20.440 10.571 6.598 1.00 18.59 C +ATOM 908 OG1 THR A 118 21.560 11.404 6.161 1.00 22.71 O +ATOM 909 CG2 THR A 118 19.095 11.104 6.074 1.00 21.13 C +ATOM 910 N ASP A 119 22.392 9.213 8.431 1.00 21.20 N +ATOM 911 CA ASP A 119 23.768 8.830 8.756 1.00 22.61 C +ATOM 912 C ASP A 119 24.713 9.543 7.779 1.00 20.13 C +ATOM 913 O ASP A 119 25.178 8.950 6.780 1.00 20.57 O +ATOM 914 CB ASP A 119 23.934 7.313 8.738 1.00 21.00 C +ATOM 915 CG ASP A 119 25.347 6.900 9.121 1.00 25.32 C +ATOM 916 OD1 ASP A 119 26.051 7.633 9.830 1.00 27.93 O +ATOM 917 OD2 ASP A 119 25.715 5.746 8.804 1.00 27.31 O +ATOM 918 N VAL A 120 24.988 10.793 8.094 1.00 23.41 N +ATOM 919 CA VAL A 120 25.886 11.637 7.306 1.00 20.10 C +ATOM 920 C VAL A 120 27.342 11.199 7.304 1.00 18.51 C +ATOM 921 O VAL A 120 28.099 11.604 6.406 1.00 19.95 O +ATOM 922 CB VAL A 120 25.721 13.134 7.630 1.00 19.91 C +ATOM 923 CG1 VAL A 120 24.356 13.655 7.183 1.00 23.59 C +ATOM 924 CG2 VAL A 120 26.088 13.478 9.055 1.00 20.79 C +ATOM 925 N GLN A 121 27.701 10.430 8.306 1.00 21.83 N +ATOM 926 CA GLN A 121 29.021 9.783 8.389 1.00 21.12 C +ATOM 927 C GLN A 121 29.317 8.861 7.207 1.00 20.78 C +ATOM 928 O GLN A 121 30.480 8.669 6.820 1.00 19.66 O +ATOM 929 CB GLN A 121 29.088 9.048 9.728 1.00 24.21 C +ATOM 930 CG GLN A 121 30.530 8.965 10.167 1.00 26.13 C +ATOM 931 CD GLN A 121 30.615 8.877 11.674 1.00 26.94 C +ATOM 932 OE1 GLN A 121 31.368 9.632 12.283 1.00 31.43 O +ATOM 933 NE2 GLN A 121 29.884 7.871 12.151 1.00 28.26 N +ATOM 934 N ALA A 122 28.300 8.271 6.576 1.00 17.62 N +ATOM 935 CA ALA A 122 28.390 7.548 5.311 1.00 19.46 C +ATOM 936 C ALA A 122 29.186 8.290 4.227 1.00 17.98 C +ATOM 937 O ALA A 122 30.031 7.710 3.523 1.00 21.35 O +ATOM 938 CB ALA A 122 26.999 7.244 4.783 1.00 18.29 C +ATOM 939 N TRP A 123 29.021 9.616 4.240 1.00 18.07 N +ATOM 940 CA TRP A 123 29.703 10.502 3.283 1.00 16.76 C +ATOM 941 C TRP A 123 31.218 10.581 3.392 1.00 16.76 C +ATOM 942 O TRP A 123 31.905 10.942 2.412 1.00 20.08 O +ATOM 943 CB TRP A 123 29.027 11.872 3.347 1.00 19.49 C +ATOM 944 CG TRP A 123 27.621 11.735 2.850 1.00 17.43 C +ATOM 945 CD1 TRP A 123 26.485 11.608 3.588 1.00 19.42 C +ATOM 946 CD2 TRP A 123 27.241 11.547 1.481 1.00 17.47 C +ATOM 947 NE1 TRP A 123 25.405 11.458 2.774 1.00 18.86 N +ATOM 948 CE2 TRP A 123 25.827 11.391 1.479 1.00 17.28 C +ATOM 949 CE3 TRP A 123 27.947 11.468 0.283 1.00 20.03 C +ATOM 950 CZ2 TRP A 123 25.111 11.184 0.311 1.00 18.33 C +ATOM 951 CZ3 TRP A 123 27.222 11.329 -0.886 1.00 20.85 C +ATOM 952 CH2 TRP A 123 25.835 11.127 -0.869 1.00 20.45 C +ATOM 953 N ILE A 124 31.741 10.269 4.554 1.00 14.19 N +ATOM 954 CA ILE A 124 33.186 10.292 4.801 1.00 16.82 C +ATOM 955 C ILE A 124 33.863 8.955 5.024 1.00 18.45 C +ATOM 956 O ILE A 124 35.100 8.892 5.134 1.00 21.02 O +ATOM 957 CB ILE A 124 33.504 11.403 5.863 1.00 17.69 C +ATOM 958 CG1 ILE A 124 32.956 10.984 7.234 1.00 18.86 C +ATOM 959 CG2 ILE A 124 33.024 12.804 5.387 1.00 21.01 C +ATOM 960 CD1 ILE A 124 33.729 11.437 8.488 1.00 22.81 C +ATOM 961 N ARG A 125 33.080 7.898 5.131 1.00 21.05 N +ATOM 962 CA ARG A 125 33.594 6.534 5.320 1.00 19.12 C +ATOM 963 C ARG A 125 34.311 6.113 4.036 1.00 17.52 C +ATOM 964 O ARG A 125 33.843 6.337 2.906 1.00 23.44 O +ATOM 965 CB ARG A 125 32.476 5.551 5.650 1.00 19.54 C +ATOM 966 CG ARG A 125 32.117 5.596 7.145 1.00 22.40 C +ATOM 967 CD ARG A 125 31.277 4.392 7.482 1.00 24.05 C +ATOM 968 NE ARG A 125 30.282 4.754 8.466 1.00 28.08 N +ATOM 969 CZ ARG A 125 28.984 4.993 8.331 1.00 23.40 C +ATOM 970 NH1 ARG A 125 28.334 4.690 7.207 1.00 23.69 N +ATOM 971 NH2 ARG A 125 28.392 5.549 9.392 1.00 23.77 N +ATOM 972 N GLY A 126 35.497 5.568 4.243 1.00 18.80 N +ATOM 973 CA GLY A 126 36.291 5.058 3.102 1.00 21.28 C +ATOM 974 C GLY A 126 37.334 6.066 2.658 1.00 22.50 C +ATOM 975 O GLY A 126 38.220 5.729 1.855 1.00 23.59 O +ATOM 976 N CYS A 127 37.335 7.221 3.297 1.00 19.05 N +ATOM 977 CA CYS A 127 38.234 8.333 2.961 1.00 19.13 C +ATOM 978 C CYS A 127 39.422 8.382 3.925 1.00 22.50 C +ATOM 979 O CYS A 127 39.206 8.267 5.138 1.00 21.64 O +ATOM 980 CB CYS A 127 37.453 9.628 2.990 1.00 18.75 C +ATOM 981 SG CYS A 127 36.010 9.816 1.936 1.00 19.93 S +ATOM 982 N ARG A 128 40.586 8.695 3.393 1.00 23.60 N +ATOM 983 CA ARG A 128 41.774 8.960 4.217 1.00 28.29 C +ATOM 984 C ARG A 128 41.820 10.438 4.578 1.00 25.64 C +ATOM 985 O ARG A 128 41.976 11.291 3.694 1.00 30.98 O +ATOM 986 CB ARG A 128 43.047 8.304 3.707 1.00 30.82 C +ATOM 987 CG ARG A 128 43.231 6.886 4.280 1.00 34.25 C +ATOM 988 CD ARG A 128 43.833 6.911 5.651 1.00 33.59 C +ATOM 989 NE ARG A 128 45.246 7.263 5.636 1.00 37.63 N +ATOM 990 CZ ARG A 128 45.862 8.258 6.281 1.00 38.37 C +ATOM 991 NH1 ARG A 128 45.241 9.069 7.151 1.00 38.97 N +ATOM 992 NH2 ARG A 128 47.134 8.554 5.973 1.00 40.22 N +ATOM 993 N LEU A 129 41.289 10.715 5.771 1.00 26.05 N +ATOM 994 CA LEU A 129 41.094 12.084 6.273 1.00 26.89 C +ATOM 995 C LEU A 129 42.119 12.382 7.370 1.00 29.58 C +ATOM 996 O LEU A 129 41.730 12.276 8.559 1.00 33.54 O +ATOM 997 CB LEU A 129 39.635 12.335 6.646 1.00 26.31 C +ATOM 998 CG LEU A 129 38.689 12.917 5.620 1.00 23.49 C +ATOM 999 CD1 LEU A 129 39.112 12.657 4.191 1.00 26.43 C +ATOM 1000 CD2 LEU A 129 37.310 12.325 5.886 1.00 25.15 C +ATOM 1001 OXT LEU A 129 43.232 12.675 6.905 1.00 34.20 O +TER 1002 LEU A 129 +END diff --git a/biobb_wf_md_setup/tests/python/reference/step20_gmx_energy/setup.energy.xvg b/biobb_wf_md_setup/tests/python/reference/step20_gmx_energy/setup.energy.xvg new file mode 100644 index 0000000..2aed92f --- /dev/null +++ b/biobb_wf_md_setup/tests/python/reference/step20_gmx_energy/setup.energy.xvg @@ -0,0 +1,76 @@ +# This file was created Tue Jan 14 16:44:25 2025 +# Created by: +# :-) GROMACS - gmx energy, 2022.2-conda_forge (-: +# +# Executable: /home/gbayarri/anaconda3/envs/biobb_wf_md_setup/bin.AVX2_256/gmx +# Data prefix: /home/gbayarri/anaconda3/envs/biobb_wf_md_setup +# Working dir: /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python +# Command line: +# gmx energy -f /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_3679c174-b9b9-4d62-8e30-0d8cd5cafd6a/md.edr -o /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_3679c174-b9b9-4d62-8e30-0d8cd5cafd6a/setup.energy.xvg -xvg xmgr +# gmx energy is part of G R O M A C S: +# +# Getting the Right Output Means no Artefacts in Calculating Stuff +# +@ title "GROMACS Energies" +@ xaxis label "Time (ps)" +@ yaxis label "(kJ/mol)" +@TYPE nxy +@ view 0.15, 0.15, 0.75, 0.85 +@ legend on +@ legend box on +@ legend loctype view +@ legend 0.78, 0.8 +@ legend length 2 +@ legend string 0 "Potential" +@ legend string 1 "Total Energy" + 0.000000 -292210.062500 -235844.781250 + 10.000000 -291451.468750 -235346.343750 + 20.000000 -291025.781250 -235750.500000 + 30.000000 -292012.500000 -236335.781250 + 40.000000 -290595.062500 -234850.906250 + 50.000000 -291573.312500 -235409.250000 + 60.000000 -290433.593750 -235400.453125 + 70.000000 -291172.093750 -235344.453125 + 80.000000 -291492.781250 -236259.281250 + 90.000000 -291700.562500 -236664.843750 + 100.000000 -292325.125000 -236887.765625 + 110.000000 -291082.531250 -236386.968750 + 120.000000 -291613.000000 -235899.031250 + 130.000000 -291393.406250 -235632.171875 + 140.000000 -291319.937500 -235543.453125 + 150.000000 -291257.437500 -235851.062500 + 160.000000 -291957.093750 -236218.593750 + 170.000000 -291397.062500 -235483.437500 + 180.000000 -291459.218750 -235637.468750 + 190.000000 -290807.250000 -235038.062500 + 200.000000 -291830.781250 -236271.437500 + 210.000000 -291671.250000 -236155.968750 + 220.000000 -289435.562500 -233698.468750 + 230.000000 -291168.531250 -235559.750000 + 240.000000 -290914.500000 -234969.171875 + 250.000000 -291656.937500 -236652.687500 + 260.000000 -291513.937500 -235778.187500 + 270.000000 -291776.968750 -235460.156250 + 280.000000 -291237.000000 -235078.000000 + 290.000000 -290700.437500 -235002.687500 + 300.000000 -291703.687500 -235765.968750 + 310.000000 -290186.062500 -234362.968750 + 320.000000 -291249.781250 -235675.265625 + 330.000000 -291610.343750 -236634.343750 + 340.000000 -290374.250000 -234120.093750 + 350.000000 -290915.531250 -235953.468750 + 360.000000 -291272.500000 -235968.156250 + 370.000000 -290394.968750 -234488.437500 + 380.000000 -291291.531250 -235244.656250 + 390.000000 -290523.343750 -234479.046875 + 400.000000 -291765.718750 -236858.812500 + 410.000000 -289544.156250 -233676.890625 + 420.000000 -291554.718750 -235383.281250 + 430.000000 -291273.812500 -235770.687500 + 440.000000 -292071.781250 -236715.562500 + 450.000000 -291228.656250 -235528.078125 + 460.000000 -292297.250000 -237265.000000 + 470.000000 -291499.593750 -235934.859375 + 480.000000 -291448.093750 -236087.718750 + 490.000000 -291825.593750 -236198.062500 + 500.000000 -290777.125000 -235247.375000 diff --git a/biobb_wf_md_setup/tests/python/reference/step21_gmx_rgyr/setup.rgyr.xvg b/biobb_wf_md_setup/tests/python/reference/step21_gmx_rgyr/setup.rgyr.xvg new file mode 100644 index 0000000..75962db --- /dev/null +++ b/biobb_wf_md_setup/tests/python/reference/step21_gmx_rgyr/setup.rgyr.xvg @@ -0,0 +1,78 @@ +# This file was created Tue Jan 14 16:44:25 2025 +# Created by: +# :-) GROMACS - gmx gyrate, 2022.2-conda_forge (-: +# +# Executable: /home/gbayarri/anaconda3/envs/biobb_wf_md_setup/bin.AVX2_256/gmx +# Data prefix: /home/gbayarri/anaconda3/envs/biobb_wf_md_setup +# Working dir: /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python +# Command line: +# gmx gyrate -s /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_297a0ad1-22af-4ca1-9ace-bb529959e859/gppmd.tpr -f /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_297a0ad1-22af-4ca1-9ace-bb529959e859/md.imaged.rot.xtc -o /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_297a0ad1-22af-4ca1-9ace-bb529959e859/setup.rgyr.xvg -xvg xmgr -n /home/gbayarri/projects/BioBB/biobb_workflows/biobb_wf_md_setup/python/sandbox_297a0ad1-22af-4ca1-9ace-bb529959e859/str_index.ndx +# gmx gyrate is part of G R O M A C S: +# +# Getting the Right Output Means no Artefacts in Calculating Stuff +# +@ title "Radius of gyration (total and around axes)" +@ xaxis label "Time (ps)" +@ yaxis label "Rg (nm)" +@TYPE nxy +@ view 0.15, 0.15, 0.75, 0.85 +@ legend on +@ legend box on +@ legend loctype view +@ legend 0.78, 0.8 +@ legend length 2 +@ legend string 0 "Rg" +@ legend string 1 "Rg\sX\N" +@ legend string 2 "Rg\sY\N" +@ legend string 3 "Rg\sZ\N" + 0 1.40465 1.20274 1.02643 1.20248 + 10 1.4098 1.2079 1.0279 1.20808 + 20 1.41866 1.21242 1.03264 1.2202 + 30 1.4168 1.20807 1.03671 1.21674 + 40 1.417 1.21723 1.02792 1.21553 + 50 1.41266 1.20005 1.03165 1.21934 + 60 1.42033 1.21531 1.03746 1.21712 + 70 1.41482 1.20894 1.03366 1.21386 + 80 1.42078 1.22139 1.02458 1.22298 + 90 1.41223 1.20577 1.03634 1.20869 + 100 1.41216 1.20504 1.03641 1.20919 + 110 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1.03939 1.22966 + 380 1.41821 1.21246 1.02843 1.22267 + 390 1.42391 1.21142 1.03887 1.22809 + 400 1.4147 1.21088 1.02553 1.21853 + 410 1.41732 1.20581 1.03113 1.22491 + 420 1.41314 1.2034 1.02905 1.21935 + 430 1.42038 1.21919 1.02598 1.22307 + 440 1.41164 1.20661 1.03089 1.21111 + 450 1.42171 1.21644 1.03692 1.21968 + 460 1.41627 1.21279 1.02711 1.21895 + 470 1.42507 1.22299 1.0262 1.22998 + 480 1.42094 1.21718 1.02768 1.22494 + 490 1.42586 1.21785 1.0355 1.2291 + 500 1.4108 1.20432 1.02543 1.21608 diff --git a/biobb_wf_md_setup/tests/python/reference/step22_rmsd_first/setup.rmsd_first.xvg b/biobb_wf_md_setup/tests/python/reference/step22_rmsd_first/setup.rmsd_first.xvg new file mode 100644 index 0000000..009cca7 --- /dev/null +++ b/biobb_wf_md_setup/tests/python/reference/step22_rmsd_first/setup.rmsd_first.xvg @@ -0,0 +1,51 @@ + 0.0000000 0.0004983 + 10.0000000 0.0882976 + 20.0000000 0.1009137 + 30.0000000 0.1042208 + 40.0000000 0.0990004 + 50.0000000 0.1157570 + 60.0000000 0.1026079 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0.1193580 + 490.0000000 0.1342734 + 500.0000000 0.1199950 diff --git a/biobb_wf_md_setup/tests/python/reference/step23_rmsd_exp/setup.rmsd_exp.xvg b/biobb_wf_md_setup/tests/python/reference/step23_rmsd_exp/setup.rmsd_exp.xvg new file mode 100644 index 0000000..ffba76b --- /dev/null +++ b/biobb_wf_md_setup/tests/python/reference/step23_rmsd_exp/setup.rmsd_exp.xvg @@ -0,0 +1,51 @@ + 0.0000000 0.0428278 + 10.0000000 0.0943547 + 20.0000000 0.1043761 + 30.0000000 0.1087452 + 40.0000000 0.1010803 + 50.0000000 0.1196981 + 60.0000000 0.1052756 + 70.0000000 0.1007559 + 80.0000000 0.1070204 + 90.0000000 0.1142137 + 100.0000000 0.1119740 + 110.0000000 0.1024525 + 120.0000000 0.1118176 + 130.0000000 0.1281846 + 140.0000000 0.1181788 + 150.0000000 0.1222831 + 160.0000000 0.1199770 + 170.0000000 0.1237564 + 180.0000000 0.1171505 + 190.0000000 0.1151326 + 200.0000000 0.1088742 + 210.0000000 0.1045081 + 220.0000000 0.1085259 + 230.0000000 0.1098917 + 240.0000000 0.1126470 + 250.0000000 0.1222617 + 260.0000000 0.1083908 + 270.0000000 0.1126521 + 280.0000000 0.1086005 + 290.0000000 0.1172039 + 300.0000000 0.1071002 + 310.0000000 0.1146606 + 320.0000000 0.1052762 + 330.0000000 0.1166871 + 340.0000000 0.1185504 + 350.0000000 0.1095545 + 360.0000000 0.1284285 + 370.0000000 0.1204959 + 380.0000000 0.1257453 + 390.0000000 0.1232615 + 400.0000000 0.1271250 + 410.0000000 0.1233761 + 420.0000000 0.1079968 + 430.0000000 0.1114356 + 440.0000000 0.1130703 + 450.0000000 0.1159657 + 460.0000000 0.1208043 + 470.0000000 0.1335848 + 480.0000000 0.1228710 + 490.0000000 0.1383823 + 500.0000000 0.1249608 diff --git a/biobb_wf_md_setup/tests/python/reference/step2_fix_side_chain/fixsidechain.pdb b/biobb_wf_md_setup/tests/python/reference/step2_fix_side_chain/fixsidechain.pdb new file mode 100644 index 0000000..5862be9 --- /dev/null +++ b/biobb_wf_md_setup/tests/python/reference/step2_fix_side_chain/fixsidechain.pdb @@ -0,0 +1,1003 @@ +ATOM 1 N LYS A 1 35.365 22.342 -11.980 1.00 22.28 N +ATOM 2 CA LYS A 1 35.892 21.073 -11.427 1.00 21.12 C +ATOM 3 C LYS A 1 34.741 20.264 -10.844 1.00 16.85 C +ATOM 4 O LYS A 1 33.945 20.813 -10.081 1.00 18.94 O +ATOM 5 CB LYS A 1 36.872 21.435 -10.306 1.00 20.78 C +ATOM 6 CG LYS A 1 37.453 20.248 -9.565 1.00 18.47 C +ATOM 7 CD LYS A 1 38.688 20.649 -8.775 1.00 20.32 C +ATOM 8 CE LYS A 1 39.057 19.508 -7.837 1.00 24.76 C +ATOM 9 NZ LYS A 1 40.423 19.771 -7.299 1.00 28.27 N +ATOM 10 N VAL A 2 34.739 18.961 -11.042 1.00 19.96 N +ATOM 11 CA VAL A 2 33.903 17.998 -10.333 1.00 18.10 C +ATOM 12 C VAL A 2 34.800 17.312 -9.294 1.00 19.39 C +ATOM 13 O VAL A 2 35.759 16.605 -9.665 1.00 22.14 O +ATOM 14 CB VAL A 2 33.140 17.034 -11.232 1.00 16.81 C +ATOM 15 CG1 VAL A 2 32.251 16.084 -10.434 1.00 21.92 C +ATOM 16 CG2 VAL A 2 32.294 17.714 -12.290 1.00 19.46 C +ATOM 17 N PHE A 3 34.491 17.546 -8.038 1.00 19.89 N +ATOM 18 CA PHE A 3 35.185 16.903 -6.918 1.00 17.43 C +ATOM 19 C PHE A 3 34.742 15.441 -6.771 1.00 15.70 C +ATOM 20 O PHE A 3 33.525 15.162 -6.862 1.00 18.52 O +ATOM 21 CB PHE A 3 34.967 17.632 -5.594 1.00 17.94 C +ATOM 22 CG PHE A 3 35.944 18.737 -5.375 1.00 16.78 C +ATOM 23 CD1 PHE A 3 35.666 20.050 -5.798 1.00 15.97 C +ATOM 24 CD2 PHE A 3 37.000 18.557 -4.473 1.00 19.95 C +ATOM 25 CE1 PHE A 3 36.577 21.076 -5.568 1.00 17.32 C +ATOM 26 CE2 PHE A 3 37.869 19.589 -4.157 1.00 17.65 C +ATOM 27 CZ PHE A 3 37.636 20.873 -4.666 1.00 17.91 C +ATOM 28 N GLY A 4 35.724 14.639 -6.331 1.00 16.79 N +ATOM 29 CA GLY A 4 35.366 13.280 -5.870 1.00 16.34 C +ATOM 30 C GLY A 4 34.924 13.420 -4.415 1.00 11.91 C +ATOM 31 O GLY A 4 35.303 14.403 -3.781 1.00 16.23 O +ATOM 32 N ARG A 5 34.053 12.538 -3.973 1.00 14.65 N +ATOM 33 CA ARG A 5 33.565 12.538 -2.588 1.00 15.91 C +ATOM 34 C ARG A 5 34.665 12.734 -1.556 1.00 15.38 C +ATOM 35 O ARG A 5 34.669 13.651 -0.704 1.00 13.15 O +ATOM 36 CB ARG A 5 32.765 11.262 -2.331 1.00 17.38 C +ATOM 37 CG ARG A 5 32.213 11.203 -0.920 1.00 13.79 C +ATOM 38 CD ARG A 5 31.375 10.001 -0.722 1.00 15.84 C +ATOM 39 NE ARG A 5 32.059 8.749 -0.958 1.00 18.74 N +ATOM 40 CZ ARG A 5 32.733 8.011 -0.097 1.00 15.19 C +ATOM 41 NH1 ARG A 5 32.836 8.332 1.187 1.00 17.50 N +ATOM 42 NH2 ARG A 5 33.245 6.836 -0.526 1.00 23.44 N +ATOM 43 N CYS A 6 35.674 11.853 -1.612 1.00 14.07 N +ATOM 44 CA CYS A 6 36.781 11.870 -0.654 1.00 14.62 C +ATOM 45 C CYS A 6 37.747 13.050 -0.777 1.00 10.99 C +ATOM 46 O CYS A 6 38.148 13.609 0.264 1.00 16.34 O +ATOM 47 CB CYS A 6 37.491 10.532 -0.621 1.00 16.90 C +ATOM 48 SG CYS A 6 36.540 9.205 0.140 1.00 18.61 S +ATOM 49 N GLU A 7 37.861 13.481 -2.019 1.00 14.24 N +ATOM 50 CA GLU A 7 38.685 14.686 -2.311 1.00 13.83 C +ATOM 51 C GLU A 7 38.049 15.926 -1.658 1.00 14.86 C +ATOM 52 O GLU A 7 38.744 16.729 -1.011 1.00 15.01 O +ATOM 53 CB GLU A 7 38.784 14.846 -3.818 1.00 14.85 C +ATOM 54 CG GLU A 7 39.540 16.051 -4.379 1.00 18.50 C +ATOM 55 CD GLU A 7 39.576 16.242 -5.870 1.00 20.16 C +ATOM 56 OE1 GLU A 7 38.672 15.644 -6.491 1.00 26.20 O +ATOM 57 OE2 GLU A 7 40.415 16.953 -6.381 1.00 25.49 O +ATOM 58 N LEU A 8 36.743 16.049 -1.819 1.00 15.18 N +ATOM 59 CA LEU A 8 35.964 17.158 -1.255 1.00 12.72 C +ATOM 60 C LEU A 8 36.051 17.132 0.266 1.00 9.45 C +ATOM 61 O LEU A 8 36.159 18.166 0.920 1.00 13.45 O +ATOM 62 CB LEU A 8 34.528 17.172 -1.811 1.00 14.31 C +ATOM 63 CG LEU A 8 33.718 18.354 -1.305 1.00 15.95 C +ATOM 64 CD1 LEU A 8 34.297 19.656 -1.841 1.00 16.56 C +ATOM 65 CD2 LEU A 8 32.246 18.143 -1.596 1.00 15.88 C +ATOM 66 N ALA A 9 35.754 15.980 0.828 1.00 14.24 N +ATOM 67 CA ALA A 9 35.838 15.757 2.284 1.00 13.25 C +ATOM 68 C ALA A 9 37.144 16.314 2.840 1.00 12.89 C +ATOM 69 O ALA A 9 37.151 16.978 3.897 1.00 14.78 O +ATOM 70 CB ALA A 9 35.656 14.287 2.623 1.00 13.89 C +ATOM 71 N ALA A 10 38.272 15.983 2.204 1.00 12.54 N +ATOM 72 CA ALA A 10 39.610 16.431 2.616 1.00 16.58 C +ATOM 73 C ALA A 10 39.736 17.944 2.459 1.00 15.35 C +ATOM 74 O ALA A 10 40.193 18.499 3.469 1.00 17.40 O +ATOM 75 CB ALA A 10 40.708 15.706 1.842 1.00 15.49 C +ATOM 76 N ALA A 11 39.227 18.519 1.385 1.00 13.54 N +ATOM 77 CA ALA A 11 39.264 19.982 1.223 1.00 15.23 C +ATOM 78 C ALA A 11 38.491 20.702 2.321 1.00 15.68 C +ATOM 79 O ALA A 11 38.946 21.658 2.953 1.00 16.87 O +ATOM 80 CB ALA A 11 38.869 20.421 -0.175 1.00 14.12 C +ATOM 81 N MET A 12 37.288 20.214 2.590 1.00 15.47 N +ATOM 82 CA MET A 12 36.398 20.781 3.612 1.00 13.69 C +ATOM 83 C MET A 12 36.990 20.715 5.007 1.00 12.55 C +ATOM 84 O MET A 12 36.906 21.637 5.840 1.00 17.69 O +ATOM 85 CB MET A 12 34.993 20.213 3.515 1.00 11.18 C +ATOM 86 CG MET A 12 34.320 20.724 2.265 1.00 15.06 C +ATOM 87 SD MET A 12 32.634 19.986 2.235 1.00 17.81 S +ATOM 88 CE MET A 12 31.788 21.135 1.138 1.00 18.08 C +ATOM 89 N LYS A 13 37.688 19.628 5.314 1.00 12.42 N +ATOM 90 CA LYS A 13 38.387 19.385 6.579 1.00 14.58 C +ATOM 91 C LYS A 13 39.460 20.467 6.731 1.00 14.55 C +ATOM 92 O LYS A 13 39.507 21.137 7.776 1.00 16.49 O +ATOM 93 CB LYS A 13 38.934 17.952 6.572 1.00 15.36 C +ATOM 94 CG LYS A 13 39.742 17.555 7.798 1.00 20.46 C +ATOM 95 CD LYS A 13 38.973 16.777 8.834 1.00 23.53 C +ATOM 96 CE LYS A 13 39.293 15.305 8.751 1.00 26.37 C +ATOM 97 NZ LYS A 13 38.077 14.461 8.946 1.00 30.88 N +ATOM 98 N ARG A 14 40.267 20.629 5.688 1.00 18.91 N +ATOM 99 CA ARG A 14 41.387 21.577 5.713 1.00 17.66 C +ATOM 100 C ARG A 14 40.927 23.017 5.881 1.00 16.78 C +ATOM 101 O ARG A 14 41.557 23.834 6.584 1.00 20.06 O +ATOM 102 CB ARG A 14 42.388 21.351 4.601 1.00 20.89 C +ATOM 103 CG ARG A 14 42.173 22.079 3.289 1.00 25.07 C +ATOM 104 CD ARG A 14 43.444 22.075 2.490 1.00 23.98 C +ATOM 105 NE ARG A 14 43.687 20.710 2.012 1.00 31.92 N +ATOM 106 CZ ARG A 14 43.098 20.255 0.892 1.00 26.04 C +ATOM 107 NH1 ARG A 14 42.695 21.186 0.018 1.00 33.46 N +ATOM 108 NH2 ARG A 14 42.949 18.957 0.689 1.00 25.91 N +ATOM 109 N HIS A 15 39.681 23.247 5.463 1.00 17.84 N +ATOM 110 CA HIS A 15 39.075 24.591 5.526 1.00 15.99 C +ATOM 111 C HIS A 15 38.310 24.861 6.814 1.00 17.70 C +ATOM 112 O HIS A 15 37.608 25.875 6.952 1.00 22.68 O +ATOM 113 CB HIS A 15 38.223 24.918 4.285 1.00 19.19 C +ATOM 114 CG HIS A 15 39.085 25.388 3.171 1.00 20.14 C +ATOM 115 ND1 HIS A 15 39.457 24.635 2.091 1.00 24.53 N +ATOM 116 CD2 HIS A 15 39.739 26.570 2.993 1.00 24.44 C +ATOM 117 CE1 HIS A 15 40.211 25.312 1.258 1.00 20.68 C +ATOM 118 NE2 HIS A 15 40.524 26.419 1.889 1.00 27.34 N +ATOM 119 N GLY A 16 38.296 23.927 7.720 1.00 17.50 N +ATOM 120 CA GLY A 16 37.765 24.025 9.072 1.00 18.71 C +ATOM 121 C GLY A 16 36.264 23.799 9.210 1.00 18.40 C +ATOM 122 O GLY A 16 35.646 24.400 10.127 1.00 21.57 O +ATOM 123 N LEU A 17 35.665 23.073 8.274 1.00 17.56 N +ATOM 124 CA LEU A 17 34.238 22.795 8.298 1.00 15.38 C +ATOM 125 C LEU A 17 33.845 21.682 9.266 1.00 18.28 C +ATOM 126 O LEU A 17 32.643 21.594 9.552 1.00 18.24 O +ATOM 127 CB LEU A 17 33.648 22.647 6.901 1.00 15.02 C +ATOM 128 CG LEU A 17 33.451 23.889 6.060 1.00 16.08 C +ATOM 129 CD1 LEU A 17 32.933 23.420 4.705 1.00 13.83 C +ATOM 130 CD2 LEU A 17 32.556 24.946 6.679 1.00 18.60 C +ATOM 131 N ASP A 18 34.785 20.814 9.605 1.00 16.36 N +ATOM 132 CA ASP A 18 34.492 19.722 10.526 1.00 16.25 C +ATOM 133 C ASP A 18 34.015 20.222 11.901 1.00 17.32 C +ATOM 134 O ASP A 18 34.826 20.778 12.658 1.00 20.27 O +ATOM 135 CB ASP A 18 35.557 18.633 10.598 1.00 19.37 C +ATOM 136 CG ASP A 18 35.017 17.408 11.311 1.00 20.25 C +ATOM 137 OD1 ASP A 18 33.805 17.154 11.455 1.00 21.00 O +ATOM 138 OD2 ASP A 18 35.925 16.603 11.662 1.00 27.06 O +ATOM 139 N ASN A 19 32.746 19.990 12.205 1.00 18.55 N +ATOM 140 CA ASN A 19 32.123 20.431 13.448 1.00 17.19 C +ATOM 141 C ASN A 19 31.854 21.941 13.497 1.00 16.61 C +ATOM 142 O ASN A 19 31.426 22.398 14.573 1.00 18.56 O +ATOM 143 CB ASN A 19 32.767 20.004 14.770 1.00 18.92 C +ATOM 144 CG ASN A 19 32.162 20.512 16.064 1.00 24.64 C +ATOM 145 OD1 ASN A 19 30.967 20.273 16.355 1.00 32.53 O +ATOM 146 ND2 ASN A 19 32.847 21.361 16.852 1.00 24.14 N +ATOM 147 N TYR A 20 31.969 22.650 12.406 1.00 16.84 N +ATOM 148 CA TYR A 20 31.707 24.099 12.411 1.00 15.54 C +ATOM 149 C TYR A 20 30.231 24.343 12.759 1.00 15.81 C +ATOM 150 O TYR A 20 29.288 23.874 12.118 1.00 16.89 O +ATOM 151 CB TYR A 20 32.070 24.736 11.066 1.00 18.16 C +ATOM 152 CG TYR A 20 32.061 26.250 11.144 1.00 20.28 C +ATOM 153 CD1 TYR A 20 33.141 26.886 11.760 1.00 21.42 C +ATOM 154 CD2 TYR A 20 30.979 27.004 10.691 1.00 20.44 C +ATOM 155 CE1 TYR A 20 33.206 28.277 11.794 1.00 22.24 C +ATOM 156 CE2 TYR A 20 31.018 28.399 10.779 1.00 21.36 C +ATOM 157 CZ TYR A 20 32.102 29.017 11.383 1.00 19.38 C +ATOM 158 OH TYR A 20 32.136 30.371 11.525 1.00 26.77 O +ATOM 159 N ARG A 21 30.088 25.142 13.803 1.00 18.43 N +ATOM 160 CA ARG A 21 28.774 25.553 14.319 1.00 15.68 C +ATOM 161 C ARG A 21 27.964 24.312 14.623 1.00 15.17 C +ATOM 162 O ARG A 21 26.733 24.333 14.606 1.00 18.36 O +ATOM 163 CB ARG A 21 28.014 26.565 13.453 1.00 19.21 C +ATOM 164 CG ARG A 21 28.507 27.995 13.535 1.00 21.50 C +ATOM 165 CD ARG A 21 28.110 28.755 14.765 1.00 25.00 C +ATOM 166 NE ARG A 21 29.319 29.321 15.324 1.00 30.37 N +ATOM 167 CZ ARG A 21 30.215 30.234 14.978 1.00 29.02 C +ATOM 168 NH1 ARG A 21 31.501 29.856 14.846 1.00 29.04 N +ATOM 169 NH2 ARG A 21 29.938 31.437 14.495 1.00 31.89 N +ATOM 170 N GLY A 22 28.689 23.250 14.998 1.00 17.81 N +ATOM 171 CA GLY A 22 28.103 22.021 15.519 1.00 17.72 C +ATOM 172 C GLY A 22 27.748 21.018 14.436 1.00 18.89 C +ATOM 173 O GLY A 22 27.085 20.022 14.784 1.00 23.26 O +ATOM 174 N TYR A 23 28.209 21.230 13.216 1.00 18.20 N +ATOM 175 CA TYR A 23 27.887 20.318 12.111 1.00 15.42 C +ATOM 176 C TYR A 23 29.124 19.533 11.628 1.00 16.30 C +ATOM 177 O TYR A 23 30.045 20.191 11.139 1.00 16.66 O +ATOM 178 CB TYR A 23 27.351 21.107 10.913 1.00 15.82 C +ATOM 179 CG TYR A 23 26.001 21.745 11.127 1.00 15.96 C +ATOM 180 CD1 TYR A 23 24.846 20.962 11.139 1.00 14.81 C +ATOM 181 CD2 TYR A 23 25.897 23.096 11.458 1.00 16.60 C +ATOM 182 CE1 TYR A 23 23.600 21.518 11.422 1.00 17.08 C +ATOM 183 CE2 TYR A 23 24.647 23.673 11.726 1.00 19.34 C +ATOM 184 CZ TYR A 23 23.518 22.881 11.701 1.00 19.21 C +ATOM 185 OH TYR A 23 22.289 23.438 11.912 1.00 25.61 O +ATOM 186 N SER A 24 29.029 18.223 11.810 1.00 15.35 N +ATOM 187 CA SER A 24 30.143 17.347 11.414 1.00 16.89 C +ATOM 188 C SER A 24 30.359 17.379 9.895 1.00 15.61 C +ATOM 189 O SER A 24 29.442 17.687 9.139 1.00 13.88 O +ATOM 190 CB SER A 24 29.922 15.934 11.907 1.00 17.54 C +ATOM 191 OG SER A 24 28.799 15.336 11.308 1.00 19.85 O +ATOM 192 N LEU A 25 31.593 17.028 9.540 1.00 16.08 N +ATOM 193 CA LEU A 25 32.035 17.092 8.138 1.00 13.16 C +ATOM 194 C LEU A 25 31.030 16.437 7.183 1.00 13.39 C +ATOM 195 O LEU A 25 30.874 16.924 6.056 1.00 15.34 O +ATOM 196 CB LEU A 25 33.410 16.409 8.084 1.00 13.47 C +ATOM 197 CG LEU A 25 34.015 16.477 6.689 1.00 12.91 C +ATOM 198 CD1 LEU A 25 34.174 17.929 6.289 1.00 13.04 C +ATOM 199 CD2 LEU A 25 35.398 15.810 6.752 1.00 14.54 C +ATOM 200 N GLY A 26 30.501 15.280 7.576 1.00 13.10 N +ATOM 201 CA GLY A 26 29.539 14.561 6.756 1.00 13.88 C +ATOM 202 C GLY A 26 28.338 15.378 6.277 1.00 12.12 C +ATOM 203 O GLY A 26 27.886 15.250 5.120 1.00 13.13 O +ATOM 204 N ASN A 27 27.905 16.281 7.161 1.00 12.16 N +ATOM 205 CA ASN A 27 26.827 17.227 6.857 1.00 14.74 C +ATOM 206 C ASN A 27 27.164 18.015 5.597 1.00 15.43 C +ATOM 207 O ASN A 27 26.317 18.208 4.720 1.00 15.27 O +ATOM 208 CB ASN A 27 26.484 18.126 8.054 1.00 12.34 C +ATOM 209 CG ASN A 27 25.681 17.267 9.048 1.00 12.22 C +ATOM 210 OD1 ASN A 27 24.511 16.933 8.820 1.00 17.40 O +ATOM 211 ND2 ASN A 27 26.348 17.052 10.169 1.00 18.27 N +ATOM 212 N TRP A 28 28.344 18.591 5.583 1.00 16.78 N +ATOM 213 CA TRP A 28 28.831 19.475 4.513 1.00 16.49 C +ATOM 214 C TRP A 28 28.940 18.741 3.183 1.00 12.99 C +ATOM 215 O TRP A 28 28.742 19.321 2.090 1.00 13.97 O +ATOM 216 CB TRP A 28 30.104 20.145 5.023 1.00 14.55 C +ATOM 217 CG TRP A 28 29.941 20.978 6.251 1.00 11.93 C +ATOM 218 CD1 TRP A 28 30.176 20.624 7.546 1.00 14.42 C +ATOM 219 CD2 TRP A 28 29.319 22.284 6.287 1.00 13.11 C +ATOM 220 NE1 TRP A 28 29.924 21.690 8.365 1.00 16.94 N +ATOM 221 CE2 TRP A 28 29.337 22.679 7.641 1.00 14.07 C +ATOM 222 CE3 TRP A 28 28.894 23.168 5.295 1.00 15.97 C +ATOM 223 CZ2 TRP A 28 28.913 23.943 8.038 1.00 18.07 C +ATOM 224 CZ3 TRP A 28 28.398 24.404 5.682 1.00 18.26 C +ATOM 225 CH2 TRP A 28 28.431 24.766 7.025 1.00 17.18 C +ATOM 226 N VAL A 29 29.572 17.543 3.261 1.00 13.00 N +ATOM 227 CA VAL A 29 29.729 16.711 2.047 1.00 14.15 C +ATOM 228 C VAL A 29 28.379 16.340 1.429 1.00 10.43 C +ATOM 229 O VAL A 29 28.166 16.496 0.228 1.00 13.40 O +ATOM 230 CB VAL A 29 30.649 15.492 2.359 1.00 12.76 C +ATOM 231 CG1 VAL A 29 30.782 14.596 1.136 1.00 15.37 C +ATOM 232 CG2 VAL A 29 32.010 16.050 2.772 1.00 14.18 C +ATOM 233 N CYS A 30 27.501 15.906 2.299 1.00 15.32 N +ATOM 234 CA CYS A 30 26.115 15.567 1.991 1.00 15.59 C +ATOM 235 C CYS A 30 25.388 16.723 1.302 1.00 12.37 C +ATOM 236 O CYS A 30 24.894 16.516 0.172 1.00 14.44 O +ATOM 237 CB CYS A 30 25.343 15.046 3.172 1.00 14.99 C +ATOM 238 SG CYS A 30 23.719 14.376 2.695 1.00 17.71 S +ATOM 239 N ALA A 31 25.533 17.913 1.870 1.00 16.06 N +ATOM 240 CA ALA A 31 24.949 19.130 1.305 1.00 15.82 C +ATOM 241 C ALA A 31 25.487 19.354 -0.115 1.00 15.34 C +ATOM 242 O ALA A 31 24.675 19.686 -0.998 1.00 16.00 O +ATOM 243 CB ALA A 31 25.167 20.335 2.200 1.00 14.90 C +ATOM 244 N ALA A 32 26.807 19.354 -0.286 1.00 11.93 N +ATOM 245 CA ALA A 32 27.461 19.536 -1.579 1.00 13.08 C +ATOM 246 C ALA A 32 26.943 18.538 -2.620 1.00 12.38 C +ATOM 247 O ALA A 32 26.767 18.857 -3.789 1.00 13.89 O +ATOM 248 CB ALA A 32 28.982 19.476 -1.398 1.00 14.17 C +ATOM 249 N LYS A 33 26.731 17.303 -2.193 1.00 15.16 N +ATOM 250 CA LYS A 33 26.261 16.216 -3.037 1.00 16.16 C +ATOM 251 C LYS A 33 24.903 16.555 -3.658 1.00 15.04 C +ATOM 252 O LYS A 33 24.806 16.511 -4.890 1.00 15.00 O +ATOM 253 CB LYS A 33 26.221 14.860 -2.351 1.00 16.71 C +ATOM 254 CG LYS A 33 25.697 13.696 -3.185 1.00 19.51 C +ATOM 255 CD LYS A 33 26.498 13.400 -4.446 1.00 17.12 C +ATOM 256 CE LYS A 33 25.686 12.464 -5.331 1.00 24.06 C +ATOM 257 NZ LYS A 33 26.423 11.979 -6.525 1.00 26.78 N +ATOM 258 N PHE A 34 23.972 16.946 -2.817 1.00 16.81 N +ATOM 259 CA PHE A 34 22.569 17.125 -3.247 1.00 17.51 C +ATOM 260 C PHE A 34 22.346 18.506 -3.836 1.00 18.19 C +ATOM 261 O PHE A 34 21.504 18.692 -4.759 1.00 20.21 O +ATOM 262 CB PHE A 34 21.626 16.673 -2.130 1.00 18.58 C +ATOM 263 CG PHE A 34 21.644 15.172 -1.965 1.00 22.22 C +ATOM 264 CD1 PHE A 34 21.209 14.353 -3.007 1.00 20.24 C +ATOM 265 CD2 PHE A 34 22.272 14.627 -0.851 1.00 20.00 C +ATOM 266 CE1 PHE A 34 21.372 12.961 -2.910 1.00 22.03 C +ATOM 267 CE2 PHE A 34 22.443 13.245 -0.743 1.00 21.96 C +ATOM 268 CZ PHE A 34 21.923 12.406 -1.737 1.00 20.77 C +ATOM 269 N GLU A 35 23.251 19.415 -3.451 1.00 15.27 N +ATOM 270 CA GLU A 35 23.178 20.789 -3.996 1.00 15.45 C +ATOM 271 C GLU A 35 23.661 20.944 -5.423 1.00 17.45 C +ATOM 272 O GLU A 35 23.014 21.514 -6.310 1.00 17.91 O +ATOM 273 CB GLU A 35 23.698 21.892 -3.107 1.00 14.42 C +ATOM 274 CG GLU A 35 22.994 22.212 -1.809 1.00 11.08 C +ATOM 275 CD GLU A 35 21.631 22.846 -1.864 1.00 13.55 C +ATOM 276 OE1 GLU A 35 21.408 23.360 -2.981 1.00 20.77 O +ATOM 277 OE2 GLU A 35 20.947 23.032 -0.874 1.00 22.72 O +ATOM 278 N SER A 36 24.867 20.483 -5.674 1.00 15.66 N +ATOM 279 CA SER A 36 25.626 20.615 -6.903 1.00 17.79 C +ATOM 280 C SER A 36 26.139 19.341 -7.569 1.00 16.97 C +ATOM 281 O SER A 36 26.750 19.464 -8.642 1.00 21.78 O +ATOM 282 CB SER A 36 26.830 21.528 -6.654 1.00 18.12 C +ATOM 283 OG SER A 36 27.747 20.951 -5.748 1.00 15.16 O +ATOM 284 N ASN A 37 25.957 18.222 -6.927 1.00 20.15 N +ATOM 285 CA ASN A 37 26.628 16.968 -7.297 1.00 20.85 C +ATOM 286 C ASN A 37 28.149 17.091 -7.302 1.00 19.72 C +ATOM 287 O ASN A 37 28.813 16.627 -8.254 1.00 20.79 O +ATOM 288 CB ASN A 37 26.028 16.490 -8.617 1.00 20.82 C +ATOM 289 CG ASN A 37 26.156 14.980 -8.782 1.00 23.63 C +ATOM 290 OD1 ASN A 37 26.640 14.266 -7.885 1.00 28.05 O +ATOM 291 ND2 ASN A 37 25.867 14.506 -9.990 1.00 29.61 N +ATOM 292 N PHE A 38 28.691 17.882 -6.383 1.00 16.12 N +ATOM 293 CA PHE A 38 30.129 18.115 -6.279 1.00 14.75 C +ATOM 294 C PHE A 38 30.717 18.903 -7.448 1.00 13.86 C +ATOM 295 O PHE A 38 31.923 18.794 -7.702 1.00 16.66 O +ATOM 296 CB PHE A 38 30.914 16.823 -6.047 1.00 17.09 C +ATOM 297 CG PHE A 38 30.487 16.006 -4.863 1.00 15.96 C +ATOM 298 CD1 PHE A 38 30.100 16.572 -3.655 1.00 15.43 C +ATOM 299 CD2 PHE A 38 30.507 14.603 -4.993 1.00 17.66 C +ATOM 300 CE1 PHE A 38 29.766 15.808 -2.558 1.00 16.83 C +ATOM 301 CE2 PHE A 38 30.136 13.814 -3.891 1.00 15.86 C +ATOM 302 CZ PHE A 38 29.835 14.410 -2.646 1.00 18.90 C +ATOM 303 N ASN A 39 29.936 19.792 -8.033 1.00 17.63 N +ATOM 304 CA ASN A 39 30.341 20.573 -9.199 1.00 16.77 C +ATOM 305 C ASN A 39 30.543 22.034 -8.823 1.00 17.13 C +ATOM 306 O ASN A 39 29.544 22.649 -8.423 1.00 17.24 O +ATOM 307 CB ASN A 39 29.406 20.300 -10.366 1.00 17.40 C +ATOM 308 CG ASN A 39 29.876 20.771 -11.716 1.00 16.96 C +ATOM 309 OD1 ASN A 39 30.579 21.750 -11.956 1.00 23.22 O +ATOM 310 ND2 ASN A 39 29.578 19.864 -12.653 1.00 26.35 N +ATOM 311 N THR A 40 31.766 22.492 -8.928 1.00 14.88 N +ATOM 312 CA THR A 40 32.139 23.869 -8.657 1.00 16.08 C +ATOM 313 C THR A 40 31.504 24.890 -9.589 1.00 16.31 C +ATOM 314 O THR A 40 31.316 26.054 -9.213 1.00 17.50 O +ATOM 315 CB THR A 40 33.684 24.103 -8.422 1.00 17.07 C +ATOM 316 OG1 THR A 40 34.270 24.156 -9.775 1.00 23.76 O +ATOM 317 CG2 THR A 40 34.414 23.119 -7.491 1.00 16.46 C +ATOM 318 N GLN A 41 31.001 24.430 -10.706 1.00 16.39 N +ATOM 319 CA GLN A 41 30.524 25.291 -11.812 1.00 16.67 C +ATOM 320 C GLN A 41 28.993 25.381 -11.874 1.00 15.44 C +ATOM 321 O GLN A 41 28.504 26.019 -12.837 1.00 18.55 O +ATOM 322 CB GLN A 41 31.047 24.817 -13.168 1.00 19.65 C +ATOM 323 CG GLN A 41 32.549 25.004 -13.279 1.00 21.26 C +ATOM 324 CD GLN A 41 32.763 26.236 -14.129 1.00 26.23 C +ATOM 325 OE1 GLN A 41 32.356 26.308 -15.291 1.00 24.68 O +ATOM 326 NE2 GLN A 41 33.276 27.231 -13.420 1.00 25.96 N +ATOM 327 N ALA A 42 28.329 24.640 -11.012 1.00 15.95 N +ATOM 328 CA ALA A 42 26.859 24.579 -11.061 1.00 17.42 C +ATOM 329 C ALA A 42 26.257 25.969 -10.807 1.00 18.93 C +ATOM 330 O ALA A 42 26.645 26.686 -9.884 1.00 17.00 O +ATOM 331 CB ALA A 42 26.355 23.604 -9.998 1.00 22.79 C +ATOM 332 N THR A 43 25.276 26.293 -11.643 1.00 18.30 N +ATOM 333 CA THR A 43 24.441 27.490 -11.476 1.00 17.73 C +ATOM 334 C THR A 43 22.976 27.112 -11.714 1.00 19.61 C +ATOM 335 O THR A 43 22.715 26.271 -12.594 1.00 22.06 O +ATOM 336 CB THR A 43 24.814 28.728 -12.375 1.00 17.58 C +ATOM 337 OG1 THR A 43 24.555 28.321 -13.756 1.00 20.94 O +ATOM 338 CG2 THR A 43 26.247 29.213 -12.184 1.00 18.26 C +ATOM 339 N ASN A 44 22.088 27.742 -10.971 1.00 19.77 N +ATOM 340 CA ASN A 44 20.640 27.497 -11.108 1.00 19.51 C +ATOM 341 C ASN A 44 19.903 28.842 -10.963 1.00 14.85 C +ATOM 342 O ASN A 44 20.169 29.600 -10.033 1.00 19.43 O +ATOM 343 CB ASN A 44 20.155 26.480 -10.080 1.00 19.93 C +ATOM 344 CG ASN A 44 18.646 26.315 -10.115 1.00 22.01 C +ATOM 345 OD1 ASN A 44 18.128 25.720 -11.078 1.00 29.53 O +ATOM 346 ND2 ASN A 44 17.906 26.927 -9.188 1.00 22.94 N +ATOM 347 N ARG A 45 19.058 29.117 -11.924 1.00 16.90 N +ATOM 348 CA ARG A 45 18.303 30.363 -12.015 1.00 18.37 C +ATOM 349 C ARG A 45 16.955 30.163 -11.326 1.00 18.76 C +ATOM 350 O ARG A 45 16.396 29.062 -11.425 1.00 20.87 O +ATOM 351 CB ARG A 45 18.143 30.836 -13.462 1.00 19.30 C +ATOM 352 CG ARG A 45 17.012 31.859 -13.557 1.00 23.98 C +ATOM 353 CD ARG A 45 17.502 33.134 -12.930 1.00 23.36 C +ATOM 354 NE ARG A 45 18.311 33.758 -13.981 1.00 29.56 N +ATOM 355 CZ ARG A 45 17.620 34.271 -15.020 1.00 27.18 C +ATOM 356 NH1 ARG A 45 16.287 34.331 -15.098 1.00 31.99 N +ATOM 357 NH2 ARG A 45 18.374 34.698 -16.030 1.00 32.43 N +ATOM 358 N ASN A 46 16.553 31.171 -10.554 1.00 18.13 N +ATOM 359 CA ASN A 46 15.304 31.071 -9.782 1.00 20.10 C +ATOM 360 C ASN A 46 14.261 32.063 -10.313 1.00 17.35 C +ATOM 361 O ASN A 46 14.617 33.104 -10.880 1.00 19.15 O +ATOM 362 CB ASN A 46 15.576 31.229 -8.295 1.00 20.05 C +ATOM 363 CG ASN A 46 16.543 30.240 -7.679 1.00 20.12 C +ATOM 364 OD1 ASN A 46 17.659 30.661 -7.346 1.00 21.21 O +ATOM 365 ND2 ASN A 46 16.125 28.975 -7.600 1.00 19.44 N +ATOM 366 N THR A 47 13.027 31.834 -9.887 1.00 19.96 N +ATOM 367 CA THR A 47 11.871 32.654 -10.246 1.00 19.12 C +ATOM 368 C THR A 47 12.001 34.107 -9.810 1.00 19.44 C +ATOM 369 O THR A 47 11.600 34.969 -10.606 1.00 23.16 O +ATOM 370 CB THR A 47 10.499 32.017 -9.789 1.00 17.70 C +ATOM 371 OG1 THR A 47 10.507 32.195 -8.342 1.00 23.76 O +ATOM 372 CG2 THR A 47 10.331 30.554 -10.188 1.00 22.66 C +ATOM 373 N ASP A 48 12.625 34.377 -8.683 1.00 19.25 N +ATOM 374 CA ASP A 48 12.885 35.716 -8.168 1.00 17.33 C +ATOM 375 C ASP A 48 14.010 36.505 -8.823 1.00 17.71 C +ATOM 376 O ASP A 48 14.246 37.621 -8.309 1.00 23.04 O +ATOM 377 CB ASP A 48 13.023 35.735 -6.640 1.00 18.02 C +ATOM 378 CG ASP A 48 14.367 35.174 -6.168 1.00 17.88 C +ATOM 379 OD1 ASP A 48 15.104 34.602 -6.991 1.00 18.55 O +ATOM 380 OD2 ASP A 48 14.750 35.442 -5.013 1.00 22.86 O +ATOM 381 N GLY A 49 14.650 36.018 -9.862 1.00 17.62 N +ATOM 382 CA GLY A 49 15.744 36.702 -10.546 1.00 17.27 C +ATOM 383 C GLY A 49 17.147 36.315 -10.096 1.00 16.80 C +ATOM 384 O GLY A 49 18.168 36.688 -10.694 1.00 20.27 O +ATOM 385 N SER A 50 17.173 35.661 -8.930 1.00 19.61 N +ATOM 386 CA SER A 50 18.435 35.225 -8.279 1.00 14.28 C +ATOM 387 C SER A 50 18.977 33.963 -8.941 1.00 18.09 C +ATOM 388 O SER A 50 18.273 33.255 -9.697 1.00 16.76 O +ATOM 389 CB SER A 50 18.272 35.089 -6.781 1.00 17.64 C +ATOM 390 OG SER A 50 17.530 33.930 -6.463 1.00 17.54 O +ATOM 391 N THR A 51 20.271 33.766 -8.734 1.00 16.00 N +ATOM 392 CA THR A 51 20.970 32.557 -9.202 1.00 13.82 C +ATOM 393 C THR A 51 21.718 31.969 -8.000 1.00 14.58 C +ATOM 394 O THR A 51 22.160 32.712 -7.119 1.00 13.28 O +ATOM 395 CB THR A 51 21.904 32.908 -10.419 1.00 12.66 C +ATOM 396 OG1 THR A 51 21.099 33.576 -11.407 1.00 17.65 O +ATOM 397 CG2 THR A 51 22.686 31.699 -10.952 1.00 14.39 C +ATOM 398 N ASP A 52 21.708 30.650 -7.927 1.00 14.66 N +ATOM 399 CA ASP A 52 22.528 29.900 -6.959 1.00 13.43 C +ATOM 400 C ASP A 52 23.843 29.488 -7.635 1.00 12.35 C +ATOM 401 O ASP A 52 23.847 29.066 -8.805 1.00 15.18 O +ATOM 402 CB ASP A 52 21.765 28.649 -6.554 1.00 14.12 C +ATOM 403 CG ASP A 52 20.396 28.991 -6.002 1.00 20.03 C +ATOM 404 OD1 ASP A 52 20.220 29.928 -5.237 1.00 21.30 O +ATOM 405 OD2 ASP A 52 19.517 28.144 -6.222 1.00 20.92 O +ATOM 406 N TYR A 53 24.924 29.734 -6.905 1.00 14.56 N +ATOM 407 CA TYR A 53 26.278 29.604 -7.450 1.00 13.61 C +ATOM 408 C TYR A 53 27.161 28.595 -6.708 1.00 12.70 C +ATOM 409 O TYR A 53 27.289 28.606 -5.486 1.00 13.36 O +ATOM 410 CB TYR A 53 26.993 30.972 -7.489 1.00 12.10 C +ATOM 411 CG TYR A 53 26.437 31.959 -8.487 1.00 11.48 C +ATOM 412 CD1 TYR A 53 26.843 32.003 -9.821 1.00 17.21 C +ATOM 413 CD2 TYR A 53 25.510 32.907 -8.050 1.00 14.42 C +ATOM 414 CE1 TYR A 53 26.291 32.922 -10.717 1.00 17.40 C +ATOM 415 CE2 TYR A 53 24.907 33.803 -8.932 1.00 12.97 C +ATOM 416 CZ TYR A 53 25.357 33.847 -10.252 1.00 15.91 C +ATOM 417 OH TYR A 53 24.864 34.804 -11.094 1.00 19.31 O +ATOM 418 N GLY A 54 27.751 27.721 -7.493 1.00 16.54 N +ATOM 419 CA GLY A 54 28.845 26.832 -7.121 1.00 15.67 C +ATOM 420 C GLY A 54 28.499 25.601 -6.290 1.00 10.78 C +ATOM 421 O GLY A 54 27.339 25.155 -6.255 1.00 13.16 O +ATOM 422 N ILE A 55 29.560 25.088 -5.684 1.00 15.43 N +ATOM 423 CA ILE A 55 29.452 23.795 -4.994 1.00 14.01 C +ATOM 424 C ILE A 55 28.424 23.748 -3.872 1.00 12.26 C +ATOM 425 O ILE A 55 27.770 22.697 -3.693 1.00 16.92 O +ATOM 426 CB ILE A 55 30.891 23.340 -4.563 1.00 16.64 C +ATOM 427 CG1 ILE A 55 30.785 21.812 -4.319 1.00 17.00 C +ATOM 428 CG2 ILE A 55 31.396 24.210 -3.390 1.00 18.87 C +ATOM 429 CD1 ILE A 55 32.101 21.018 -4.339 1.00 20.60 C +ATOM 430 N LEU A 56 28.216 24.881 -3.236 1.00 12.85 N +ATOM 431 CA LEU A 56 27.173 24.998 -2.203 1.00 14.96 C +ATOM 432 C LEU A 56 25.981 25.838 -2.659 1.00 11.08 C +ATOM 433 O LEU A 56 25.161 26.111 -1.774 1.00 16.40 O +ATOM 434 CB LEU A 56 27.816 25.424 -0.877 1.00 14.44 C +ATOM 435 CG LEU A 56 28.692 24.348 -0.204 1.00 14.92 C +ATOM 436 CD1 LEU A 56 29.331 24.997 1.008 1.00 18.78 C +ATOM 437 CD2 LEU A 56 27.808 23.177 0.192 1.00 19.47 C +ATOM 438 N GLN A 57 25.865 26.104 -3.946 1.00 14.17 N +ATOM 439 CA GLN A 57 24.668 26.785 -4.465 1.00 11.55 C +ATOM 440 C GLN A 57 24.277 27.940 -3.558 1.00 15.09 C +ATOM 441 O GLN A 57 23.116 28.031 -3.094 1.00 15.28 O +ATOM 442 CB GLN A 57 23.521 25.765 -4.549 1.00 13.56 C +ATOM 443 CG GLN A 57 23.733 24.790 -5.699 1.00 12.45 C +ATOM 444 CD GLN A 57 23.684 25.440 -7.069 1.00 14.21 C +ATOM 445 OE1 GLN A 57 22.574 25.602 -7.591 1.00 18.18 O +ATOM 446 NE2 GLN A 57 24.813 25.805 -7.651 1.00 14.86 N +ATOM 447 N ILE A 58 25.164 28.910 -3.428 1.00 14.04 N +ATOM 448 CA ILE A 58 24.930 30.118 -2.649 1.00 16.09 C +ATOM 449 C ILE A 58 24.204 31.163 -3.504 1.00 11.19 C +ATOM 450 O ILE A 58 24.555 31.405 -4.667 1.00 14.34 O +ATOM 451 CB ILE A 58 26.301 30.665 -2.134 1.00 14.90 C +ATOM 452 CG1 ILE A 58 26.751 29.724 -0.985 1.00 13.85 C +ATOM 453 CG2 ILE A 58 26.178 32.135 -1.693 1.00 15.47 C +ATOM 454 CD1 ILE A 58 28.246 29.954 -0.641 1.00 16.12 C +ATOM 455 N ASN A 59 23.145 31.671 -2.905 1.00 14.23 N +ATOM 456 CA ASN A 59 22.146 32.510 -3.590 1.00 10.60 C +ATOM 457 C ASN A 59 22.550 33.974 -3.730 1.00 13.03 C +ATOM 458 O ASN A 59 22.917 34.607 -2.740 1.00 18.49 O +ATOM 459 CB ASN A 59 20.805 32.306 -2.884 1.00 15.76 C +ATOM 460 CG ASN A 59 19.650 32.986 -3.588 1.00 15.71 C +ATOM 461 OD1 ASN A 59 19.464 34.171 -3.244 1.00 18.79 O +ATOM 462 ND2 ASN A 59 19.155 32.320 -4.612 1.00 16.44 N +ATOM 463 N SER A 60 22.268 34.485 -4.941 1.00 11.71 N +ATOM 464 CA SER A 60 22.570 35.910 -5.255 1.00 13.81 C +ATOM 465 C SER A 60 21.687 36.993 -4.642 1.00 15.28 C +ATOM 466 O SER A 60 22.054 38.177 -4.774 1.00 17.67 O +ATOM 467 CB SER A 60 22.643 36.139 -6.750 1.00 14.62 C +ATOM 468 OG SER A 60 21.432 36.007 -7.444 1.00 14.30 O +ATOM 469 N ARG A 61 20.526 36.660 -4.138 1.00 15.88 N +ATOM 470 CA ARG A 61 19.691 37.653 -3.434 1.00 18.54 C +ATOM 471 C ARG A 61 20.277 38.108 -2.106 1.00 19.97 C +ATOM 472 O ARG A 61 20.282 39.333 -1.876 1.00 26.30 O +ATOM 473 CB ARG A 61 18.267 37.195 -3.250 1.00 18.00 C +ATOM 474 CG ARG A 61 17.315 38.350 -2.959 1.00 20.10 C +ATOM 475 CD ARG A 61 16.063 37.657 -2.503 1.00 26.00 C +ATOM 476 NE ARG A 61 15.101 38.653 -2.063 1.00 29.28 N +ATOM 477 CZ ARG A 61 13.794 38.351 -2.111 1.00 29.36 C +ATOM 478 NH1 ARG A 61 13.439 37.257 -2.784 1.00 26.50 N +ATOM 479 NH2 ARG A 61 12.925 39.249 -1.646 1.00 32.93 N +ATOM 480 N TRP A 62 20.773 37.202 -1.273 1.00 16.51 N +ATOM 481 CA TRP A 62 21.321 37.563 0.032 1.00 16.06 C +ATOM 482 C TRP A 62 22.848 37.643 0.101 1.00 15.55 C +ATOM 483 O TRP A 62 23.323 38.396 0.968 1.00 18.96 O +ATOM 484 CB TRP A 62 20.833 36.611 1.134 1.00 17.91 C +ATOM 485 CG TRP A 62 19.360 36.361 1.096 1.00 18.99 C +ATOM 486 CD1 TRP A 62 18.719 35.247 0.643 1.00 20.47 C +ATOM 487 CD2 TRP A 62 18.326 37.305 1.427 1.00 20.79 C +ATOM 488 NE1 TRP A 62 17.360 35.457 0.609 1.00 21.70 N +ATOM 489 CE2 TRP A 62 17.090 36.696 1.096 1.00 21.11 C +ATOM 490 CE3 TRP A 62 18.333 38.584 1.965 1.00 19.84 C +ATOM 491 CZ2 TRP A 62 15.875 37.327 1.307 1.00 22.57 C +ATOM 492 CZ3 TRP A 62 17.115 39.208 2.186 1.00 23.93 C +ATOM 493 CH2 TRP A 62 15.906 38.611 1.814 1.00 19.55 C +ATOM 494 N TRP A 63 23.537 36.731 -0.584 1.00 16.01 N +ATOM 495 CA TRP A 63 24.906 36.398 -0.276 1.00 15.21 C +ATOM 496 C TRP A 63 26.089 36.924 -1.052 1.00 15.84 C +ATOM 497 O TRP A 63 27.142 37.177 -0.432 1.00 19.13 O +ATOM 498 CB TRP A 63 25.068 34.919 0.112 1.00 15.47 C +ATOM 499 CG TRP A 63 24.036 34.428 1.068 1.00 12.46 C +ATOM 500 CD1 TRP A 63 22.959 33.620 0.777 1.00 16.95 C +ATOM 501 CD2 TRP A 63 23.919 34.728 2.450 1.00 13.27 C +ATOM 502 NE1 TRP A 63 22.243 33.344 1.899 1.00 17.64 N +ATOM 503 CE2 TRP A 63 22.761 34.067 2.931 1.00 17.28 C +ATOM 504 CE3 TRP A 63 24.694 35.480 3.323 1.00 15.25 C +ATOM 505 CZ2 TRP A 63 22.393 34.133 4.278 1.00 18.56 C +ATOM 506 CZ3 TRP A 63 24.302 35.586 4.648 1.00 18.76 C +ATOM 507 CH2 TRP A 63 23.179 34.910 5.117 1.00 19.36 C +ATOM 508 N CYS A 64 25.962 36.914 -2.353 1.00 17.00 N +ATOM 509 CA CYS A 64 26.985 37.433 -3.271 1.00 15.76 C +ATOM 510 C CYS A 64 26.324 38.355 -4.286 1.00 15.97 C +ATOM 511 O CYS A 64 25.102 38.314 -4.475 1.00 13.75 O +ATOM 512 CB CYS A 64 27.638 36.265 -3.988 1.00 16.64 C +ATOM 513 SG CYS A 64 26.562 35.233 -5.007 1.00 17.83 S +ATOM 514 N ASN A 65 27.157 39.165 -4.908 1.00 17.73 N +ATOM 515 CA ASN A 65 26.700 40.134 -5.920 1.00 16.46 C +ATOM 516 C ASN A 65 26.985 39.646 -7.342 1.00 13.16 C +ATOM 517 O ASN A 65 28.130 39.316 -7.647 1.00 15.95 O +ATOM 518 CB ASN A 65 27.381 41.492 -5.712 1.00 19.19 C +ATOM 519 CG ASN A 65 26.910 42.423 -6.824 1.00 19.59 C +ATOM 520 OD1 ASN A 65 25.736 42.559 -7.141 1.00 23.26 O +ATOM 521 ND2 ASN A 65 27.914 42.938 -7.527 1.00 25.56 N +ATOM 522 N ASP A 66 25.920 39.484 -8.116 1.00 15.60 N +ATOM 523 CA ASP A 66 26.102 39.180 -9.545 1.00 15.28 C +ATOM 524 C ASP A 66 25.664 40.317 -10.460 1.00 15.23 C +ATOM 525 O ASP A 66 25.719 40.143 -11.673 1.00 17.91 O +ATOM 526 CB ASP A 66 25.462 37.858 -9.894 1.00 14.84 C +ATOM 527 CG ASP A 66 23.951 37.903 -9.833 1.00 12.12 C +ATOM 528 OD1 ASP A 66 23.288 38.898 -9.542 1.00 16.56 O +ATOM 529 OD2 ASP A 66 23.455 36.769 -10.048 1.00 16.91 O +ATOM 530 N GLY A 67 25.234 41.408 -9.860 1.00 18.13 N +ATOM 531 CA GLY A 67 24.817 42.607 -10.577 1.00 19.40 C +ATOM 532 C GLY A 67 23.544 42.553 -11.401 1.00 20.37 C +ATOM 533 O GLY A 67 23.191 43.542 -12.055 1.00 18.23 O +ATOM 534 N ARG A 68 22.822 41.441 -11.348 1.00 18.79 N +ATOM 535 CA ARG A 68 21.560 41.308 -12.092 1.00 19.77 C +ATOM 536 C ARG A 68 20.424 40.765 -11.243 1.00 18.48 C +ATOM 537 O ARG A 68 19.385 40.383 -11.795 1.00 21.54 O +ATOM 538 CB ARG A 68 21.746 40.454 -13.339 1.00 18.97 C +ATOM 539 CG ARG A 68 22.197 39.048 -12.946 1.00 18.77 C +ATOM 540 CD ARG A 68 22.477 38.187 -14.122 1.00 23.25 C +ATOM 541 NE ARG A 68 21.439 37.201 -14.281 1.00 29.75 N +ATOM 542 CZ ARG A 68 20.242 37.255 -14.855 1.00 28.71 C +ATOM 543 NH1 ARG A 68 19.503 38.311 -15.145 1.00 32.34 N +ATOM 544 NH2 ARG A 68 19.897 36.127 -15.497 1.00 33.10 N +ATOM 545 N THR A 69 20.590 40.896 -9.952 1.00 18.68 N +ATOM 546 CA THR A 69 19.607 40.408 -8.973 1.00 20.02 C +ATOM 547 C THR A 69 18.994 41.597 -8.224 1.00 16.46 C +ATOM 548 O THR A 69 19.683 42.241 -7.425 1.00 23.13 O +ATOM 549 CB THR A 69 20.208 39.384 -7.910 1.00 19.66 C +ATOM 550 OG1 THR A 69 20.851 38.334 -8.715 1.00 19.19 O +ATOM 551 CG2 THR A 69 19.123 38.863 -6.955 1.00 18.58 C +ATOM 552 N PRO A 70 17.687 41.741 -8.418 1.00 20.50 N +ATOM 553 CA PRO A 70 16.953 42.824 -7.733 1.00 21.73 C +ATOM 554 C PRO A 70 16.955 42.520 -6.242 1.00 22.11 C +ATOM 555 O PRO A 70 16.739 41.356 -5.886 1.00 27.13 O +ATOM 556 CB PRO A 70 15.557 42.749 -8.333 1.00 23.50 C +ATOM 557 CG PRO A 70 15.759 42.092 -9.671 1.00 24.66 C +ATOM 558 CD PRO A 70 16.887 41.095 -9.463 1.00 21.80 C +ATOM 559 N GLY A 71 17.163 43.493 -5.401 1.00 21.67 N +ATOM 560 CA GLY A 71 17.135 43.383 -3.947 1.00 24.03 C +ATOM 561 C GLY A 71 18.328 42.710 -3.287 1.00 26.98 C +ATOM 562 O GLY A 71 18.257 42.257 -2.126 1.00 32.77 O +ATOM 563 N SER A 72 19.418 42.627 -4.018 1.00 26.40 N +ATOM 564 CA SER A 72 20.665 41.976 -3.588 1.00 26.94 C +ATOM 565 C SER A 72 21.139 42.582 -2.276 1.00 24.66 C +ATOM 566 O SER A 72 21.055 43.819 -2.125 1.00 29.91 O +ATOM 567 CB SER A 72 21.659 42.002 -4.737 1.00 25.16 C +ATOM 568 OG SER A 72 23.015 41.835 -4.343 1.00 32.21 O +ATOM 569 N ARG A 73 21.646 41.775 -1.369 1.00 22.51 N +ATOM 570 CA ARG A 73 22.254 42.196 -0.113 1.00 22.60 C +ATOM 571 C ARG A 73 23.774 42.058 0.029 1.00 22.33 C +ATOM 572 O ARG A 73 24.425 42.749 0.849 1.00 27.92 O +ATOM 573 CB ARG A 73 21.615 41.555 1.127 1.00 20.14 C +ATOM 574 CG ARG A 73 20.187 41.983 1.439 1.00 22.29 C +ATOM 575 CD ARG A 73 20.209 43.299 2.123 1.00 26.95 C +ATOM 576 NE ARG A 73 18.928 43.771 2.617 1.00 33.74 N +ATOM 577 CZ ARG A 73 17.980 44.302 1.823 1.00 33.76 C +ATOM 578 NH1 ARG A 73 17.841 43.934 0.544 1.00 35.78 N +ATOM 579 NH2 ARG A 73 17.571 45.545 2.146 1.00 33.83 N +ATOM 580 N ASN A 74 24.346 41.143 -0.705 1.00 17.74 N +ATOM 581 CA ASN A 74 25.780 40.833 -0.695 1.00 18.87 C +ATOM 582 C ASN A 74 26.315 40.718 0.731 1.00 16.22 C +ATOM 583 O ASN A 74 27.255 41.471 1.060 1.00 20.87 O +ATOM 584 CB ASN A 74 26.565 41.786 -1.589 1.00 19.51 C +ATOM 585 CG ASN A 74 27.982 41.328 -1.909 1.00 16.31 C +ATOM 586 OD1 ASN A 74 28.318 40.169 -1.652 1.00 18.61 O +ATOM 587 ND2 ASN A 74 28.838 42.192 -2.436 1.00 19.22 N +ATOM 588 N LEU A 75 25.723 39.860 1.544 1.00 15.25 N +ATOM 589 CA LEU A 75 26.153 39.690 2.930 1.00 14.82 C +ATOM 590 C LEU A 75 27.518 39.011 3.085 1.00 16.78 C +ATOM 591 O LEU A 75 28.167 39.197 4.141 1.00 22.00 O +ATOM 592 CB LEU A 75 25.009 39.055 3.733 1.00 16.64 C +ATOM 593 CG LEU A 75 23.815 39.998 3.979 1.00 17.08 C +ATOM 594 CD1 LEU A 75 22.574 39.193 4.336 1.00 25.82 C +ATOM 595 CD2 LEU A 75 24.156 40.969 5.110 1.00 20.95 C +ATOM 596 N CYS A 76 27.973 38.312 2.061 1.00 17.66 N +ATOM 597 CA CYS A 76 29.299 37.680 2.111 1.00 16.46 C +ATOM 598 C CYS A 76 30.390 38.598 1.589 1.00 15.66 C +ATOM 599 O CYS A 76 31.573 38.229 1.568 1.00 17.59 O +ATOM 600 CB CYS A 76 29.396 36.303 1.477 1.00 17.61 C +ATOM 601 SG CYS A 76 28.595 34.961 2.361 1.00 18.07 S +ATOM 602 N ASN A 77 29.964 39.681 0.971 1.00 18.55 N +ATOM 603 CA ASN A 77 30.827 40.725 0.395 1.00 19.18 C +ATOM 604 C ASN A 77 31.711 40.163 -0.702 1.00 16.58 C +ATOM 605 O ASN A 77 32.947 40.331 -0.689 1.00 21.61 O +ATOM 606 CB ASN A 77 31.589 41.488 1.483 1.00 17.72 C +ATOM 607 CG ASN A 77 32.126 42.812 0.957 1.00 20.20 C +ATOM 608 OD1 ASN A 77 31.351 43.589 0.396 1.00 28.77 O +ATOM 609 ND2 ASN A 77 33.430 43.012 1.047 1.00 27.05 N +ATOM 610 N ILE A 78 31.149 39.408 -1.616 1.00 18.88 N +ATOM 611 CA ILE A 78 31.904 38.780 -2.713 1.00 20.14 C +ATOM 612 C ILE A 78 31.099 38.850 -4.013 1.00 17.08 C +ATOM 613 O ILE A 78 29.864 38.688 -3.972 1.00 16.28 O +ATOM 614 CB ILE A 78 32.183 37.255 -2.384 1.00 19.93 C +ATOM 615 CG1 ILE A 78 30.882 36.639 -1.851 1.00 21.17 C +ATOM 616 CG2 ILE A 78 33.437 37.003 -1.524 1.00 24.25 C +ATOM 617 CD1 ILE A 78 30.936 35.120 -1.546 1.00 25.54 C +ATOM 618 N PRO A 79 31.828 38.795 -5.108 1.00 16.64 N +ATOM 619 CA PRO A 79 31.195 38.634 -6.421 1.00 19.12 C +ATOM 620 C PRO A 79 30.792 37.146 -6.446 1.00 14.71 C +ATOM 621 O PRO A 79 31.576 36.273 -6.005 1.00 17.48 O +ATOM 622 CB PRO A 79 32.261 38.967 -7.445 1.00 18.74 C +ATOM 623 CG PRO A 79 33.555 39.029 -6.710 1.00 18.97 C +ATOM 624 CD PRO A 79 33.276 39.023 -5.215 1.00 16.79 C +ATOM 625 N CYS A 80 29.629 36.908 -7.033 1.00 13.55 N +ATOM 626 CA CYS A 80 29.167 35.522 -7.236 1.00 14.33 C +ATOM 627 C CYS A 80 30.150 34.716 -8.073 1.00 13.92 C +ATOM 628 O CYS A 80 30.214 33.484 -7.880 1.00 16.74 O +ATOM 629 CB CYS A 80 27.749 35.338 -7.747 1.00 16.10 C +ATOM 630 SG CYS A 80 26.471 36.160 -6.762 1.00 16.97 S +ATOM 631 N SER A 81 30.769 35.294 -9.083 1.00 15.04 N +ATOM 632 CA SER A 81 31.775 34.671 -9.933 1.00 15.64 C +ATOM 633 C SER A 81 32.907 34.027 -9.109 1.00 14.90 C +ATOM 634 O SER A 81 33.338 32.939 -9.561 1.00 21.08 O +ATOM 635 CB SER A 81 32.381 35.643 -10.953 1.00 18.65 C +ATOM 636 OG SER A 81 33.035 36.681 -10.235 1.00 20.86 O +ATOM 637 N ALA A 82 33.226 34.572 -7.950 1.00 15.59 N +ATOM 638 CA ALA A 82 34.272 33.963 -7.107 1.00 18.01 C +ATOM 639 C ALA A 82 33.869 32.604 -6.540 1.00 18.75 C +ATOM 640 O ALA A 82 34.703 31.798 -6.081 1.00 19.60 O +ATOM 641 CB ALA A 82 34.722 34.930 -6.020 1.00 20.54 C +ATOM 642 N LEU A 83 32.571 32.338 -6.519 1.00 15.36 N +ATOM 643 CA LEU A 83 31.973 31.093 -6.042 1.00 18.66 C +ATOM 644 C LEU A 83 32.060 29.962 -7.049 1.00 17.84 C +ATOM 645 O LEU A 83 31.671 28.815 -6.739 1.00 21.50 O +ATOM 646 CB LEU A 83 30.618 31.424 -5.431 1.00 17.11 C +ATOM 647 CG LEU A 83 30.511 32.364 -4.244 1.00 16.65 C +ATOM 648 CD1 LEU A 83 29.040 32.573 -3.857 1.00 18.78 C +ATOM 649 CD2 LEU A 83 31.277 31.872 -3.020 1.00 20.62 C +ATOM 650 N LEU A 84 32.473 30.271 -8.267 1.00 17.31 N +ATOM 651 CA LEU A 84 32.610 29.295 -9.347 1.00 16.38 C +ATOM 652 C LEU A 84 34.047 28.841 -9.570 1.00 19.37 C +ATOM 653 O LEU A 84 34.334 28.243 -10.622 1.00 23.48 O +ATOM 654 CB LEU A 84 31.914 29.793 -10.614 1.00 20.87 C +ATOM 655 CG LEU A 84 30.446 30.183 -10.573 1.00 14.26 C +ATOM 656 CD1 LEU A 84 30.014 30.771 -11.916 1.00 21.15 C +ATOM 657 CD2 LEU A 84 29.597 28.942 -10.329 1.00 18.96 C +ATOM 658 N SER A 85 34.942 29.197 -8.676 1.00 21.00 N +ATOM 659 CA SER A 85 36.340 28.754 -8.727 1.00 20.86 C +ATOM 660 C SER A 85 36.474 27.245 -8.497 1.00 19.65 C +ATOM 661 O SER A 85 35.765 26.640 -7.681 1.00 20.62 O +ATOM 662 CB SER A 85 37.109 29.482 -7.633 1.00 20.91 C +ATOM 663 OG SER A 85 38.484 29.212 -7.834 1.00 26.88 O +ATOM 664 N SER A 86 37.619 26.742 -8.943 1.00 22.57 N +ATOM 665 CA SER A 86 38.008 25.343 -8.700 1.00 20.44 C +ATOM 666 C SER A 86 38.388 25.153 -7.233 1.00 19.98 C +ATOM 667 O SER A 86 38.314 24.055 -6.671 1.00 23.62 O +ATOM 668 CB SER A 86 39.107 24.868 -9.650 1.00 23.76 C +ATOM 669 OG SER A 86 38.401 24.215 -10.691 1.00 30.29 O +ATOM 670 N ASP A 87 38.846 26.244 -6.668 1.00 19.74 N +ATOM 671 CA ASP A 87 39.282 26.393 -5.271 1.00 18.72 C +ATOM 672 C ASP A 87 37.999 26.657 -4.471 1.00 17.93 C +ATOM 673 O ASP A 87 37.490 27.762 -4.712 1.00 20.06 O +ATOM 674 CB ASP A 87 40.221 27.607 -5.212 1.00 21.65 C +ATOM 675 CG ASP A 87 40.762 28.041 -3.869 1.00 23.98 C +ATOM 676 OD1 ASP A 87 40.335 27.702 -2.742 1.00 26.26 O +ATOM 677 OD2 ASP A 87 41.785 28.802 -3.933 1.00 32.04 O +ATOM 678 N ILE A 88 37.732 25.850 -3.461 1.00 15.96 N +ATOM 679 CA ILE A 88 36.515 26.089 -2.658 1.00 16.22 C +ATOM 680 C ILE A 88 36.582 27.142 -1.563 1.00 14.43 C +ATOM 681 O ILE A 88 35.600 27.315 -0.801 1.00 16.28 O +ATOM 682 CB ILE A 88 35.993 24.736 -2.046 1.00 16.45 C +ATOM 683 CG1 ILE A 88 36.920 24.200 -0.934 1.00 15.71 C +ATOM 684 CG2 ILE A 88 35.587 23.743 -3.163 1.00 19.87 C +ATOM 685 CD1 ILE A 88 36.363 23.226 0.137 1.00 17.47 C +ATOM 686 N THR A 89 37.742 27.786 -1.369 1.00 14.21 N +ATOM 687 CA THR A 89 37.913 28.772 -0.306 1.00 16.87 C +ATOM 688 C THR A 89 36.736 29.761 -0.161 1.00 11.06 C +ATOM 689 O THR A 89 36.341 29.983 1.000 1.00 13.83 O +ATOM 690 CB THR A 89 39.267 29.591 -0.423 1.00 18.61 C +ATOM 691 OG1 THR A 89 40.339 28.592 -0.514 1.00 20.24 O +ATOM 692 CG2 THR A 89 39.419 30.553 0.766 1.00 17.79 C +ATOM 693 N ALA A 90 36.507 30.482 -1.242 1.00 17.37 N +ATOM 694 CA ALA A 90 35.479 31.555 -1.244 1.00 16.63 C +ATOM 695 C ALA A 90 34.125 31.066 -0.735 1.00 14.09 C +ATOM 696 O ALA A 90 33.366 31.671 0.065 1.00 15.68 O +ATOM 697 CB ALA A 90 35.366 32.212 -2.617 1.00 17.13 C +ATOM 698 N SER A 91 33.746 29.919 -1.296 1.00 13.62 N +ATOM 699 CA SER A 91 32.494 29.220 -1.024 1.00 11.35 C +ATOM 700 C SER A 91 32.429 28.817 0.467 1.00 11.70 C +ATOM 701 O SER A 91 31.407 29.057 1.110 1.00 14.31 O +ATOM 702 CB SER A 91 32.282 28.035 -1.917 1.00 13.48 C +ATOM 703 OG SER A 91 32.020 28.335 -3.260 1.00 14.66 O +ATOM 704 N VAL A 92 33.502 28.211 0.953 1.00 13.17 N +ATOM 705 CA VAL A 92 33.595 27.846 2.381 1.00 13.44 C +ATOM 706 C VAL A 92 33.477 29.105 3.261 1.00 12.00 C +ATOM 707 O VAL A 92 32.716 29.020 4.244 1.00 13.83 O +ATOM 708 CB VAL A 92 34.890 27.038 2.650 1.00 11.69 C +ATOM 709 CG1 VAL A 92 35.125 26.987 4.151 1.00 16.05 C +ATOM 710 CG2 VAL A 92 34.776 25.672 2.013 1.00 15.64 C +ATOM 711 N ASN A 93 34.199 30.163 2.912 1.00 15.12 N +ATOM 712 CA ASN A 93 34.160 31.413 3.685 1.00 15.10 C +ATOM 713 C ASN A 93 32.747 32.034 3.803 1.00 9.80 C +ATOM 714 O ASN A 93 32.361 32.393 4.908 1.00 16.51 O +ATOM 715 CB ASN A 93 35.168 32.472 3.247 1.00 16.33 C +ATOM 716 CG ASN A 93 36.582 32.083 3.642 1.00 19.02 C +ATOM 717 OD1 ASN A 93 37.546 32.671 3.120 1.00 29.57 O +ATOM 718 ND2 ASN A 93 36.710 31.188 4.631 1.00 24.29 N +ATOM 719 N CYS A 94 32.096 31.996 2.670 1.00 15.72 N +ATOM 720 CA CYS A 94 30.695 32.449 2.633 1.00 13.58 C +ATOM 721 C CYS A 94 29.778 31.527 3.424 1.00 13.05 C +ATOM 722 O CYS A 94 28.973 32.025 4.236 1.00 16.42 O +ATOM 723 CB CYS A 94 30.291 32.704 1.185 1.00 12.05 C +ATOM 724 SG CYS A 94 28.644 33.431 1.046 1.00 15.81 S +ATOM 725 N ALA A 95 29.945 30.225 3.263 1.00 13.56 N +ATOM 726 CA ALA A 95 29.134 29.227 3.969 1.00 15.63 C +ATOM 727 C ALA A 95 29.236 29.330 5.491 1.00 10.80 C +ATOM 728 O ALA A 95 28.222 29.180 6.179 1.00 12.93 O +ATOM 729 CB ALA A 95 29.495 27.794 3.612 1.00 14.09 C +ATOM 730 N LYS A 96 30.424 29.628 5.987 1.00 11.19 N +ATOM 731 CA LYS A 96 30.627 29.912 7.419 1.00 13.27 C +ATOM 732 C LYS A 96 29.802 31.115 7.906 1.00 13.38 C +ATOM 733 O LYS A 96 29.296 31.011 9.027 1.00 15.75 O +ATOM 734 CB LYS A 96 32.100 30.112 7.775 1.00 12.67 C +ATOM 735 CG LYS A 96 32.874 28.792 7.697 1.00 11.93 C +ATOM 736 CD LYS A 96 34.358 29.071 7.879 1.00 15.55 C +ATOM 737 CE LYS A 96 35.205 27.816 7.938 1.00 18.03 C +ATOM 738 NZ LYS A 96 36.610 28.242 8.169 1.00 20.72 N +ATOM 739 N LYS A 97 29.660 32.101 7.049 1.00 12.90 N +ATOM 740 CA LYS A 97 28.811 33.263 7.379 1.00 16.43 C +ATOM 741 C LYS A 97 27.333 32.905 7.386 1.00 18.88 C +ATOM 742 O LYS A 97 26.570 33.318 8.272 1.00 19.20 O +ATOM 743 CB LYS A 97 29.087 34.456 6.470 1.00 18.97 C +ATOM 744 CG LYS A 97 30.537 34.927 6.563 1.00 19.81 C +ATOM 745 CD LYS A 97 30.841 36.073 5.610 1.00 22.00 C +ATOM 746 CE LYS A 97 32.340 36.293 5.510 1.00 23.71 C +ATOM 747 NZ LYS A 97 32.569 37.524 4.708 1.00 29.75 N +ATOM 748 N ILE A 98 26.897 32.127 6.416 1.00 15.72 N +ATOM 749 CA ILE A 98 25.520 31.693 6.266 1.00 16.36 C +ATOM 750 C ILE A 98 25.030 30.871 7.453 1.00 16.70 C +ATOM 751 O ILE A 98 24.059 31.254 8.126 1.00 18.80 O +ATOM 752 CB ILE A 98 25.307 30.997 4.896 1.00 15.14 C +ATOM 753 CG1 ILE A 98 25.643 31.910 3.702 1.00 13.63 C +ATOM 754 CG2 ILE A 98 23.887 30.386 4.817 1.00 15.62 C +ATOM 755 CD1 ILE A 98 25.620 31.204 2.321 1.00 17.82 C +ATOM 756 N VAL A 99 25.875 29.966 7.915 1.00 16.73 N +ATOM 757 CA VAL A 99 25.488 29.009 8.955 1.00 18.71 C +ATOM 758 C VAL A 99 25.431 29.697 10.316 1.00 20.36 C +ATOM 759 O VAL A 99 24.737 29.212 11.233 1.00 25.30 O +ATOM 760 CB VAL A 99 26.398 27.774 8.859 1.00 16.94 C +ATOM 761 CG1 VAL A 99 27.811 28.138 9.279 1.00 19.19 C +ATOM 762 CG2 VAL A 99 25.834 26.594 9.632 1.00 18.97 C +ATOM 763 N SER A 100 26.205 30.752 10.409 1.00 17.04 N +ATOM 764 CA SER A 100 26.297 31.529 11.650 1.00 23.81 C +ATOM 765 C SER A 100 25.124 32.495 11.765 1.00 24.03 C +ATOM 766 O SER A 100 24.995 33.131 12.820 1.00 28.66 O +ATOM 767 CB SER A 100 27.647 32.194 11.723 1.00 19.71 C +ATOM 768 OG SER A 100 28.714 31.264 11.818 1.00 25.04 O +ATOM 769 N ASP A 101 24.307 32.599 10.750 1.00 25.78 N +ATOM 770 CA ASP A 101 23.162 33.495 10.650 1.00 26.98 C +ATOM 771 C ASP A 101 21.924 33.183 11.481 1.00 28.34 C +ATOM 772 O ASP A 101 21.132 34.143 11.678 1.00 31.88 O +ATOM 773 CB ASP A 101 22.806 33.854 9.207 1.00 27.75 C +ATOM 774 CG ASP A 101 22.426 35.320 9.009 1.00 30.86 C +ATOM 775 OD1 ASP A 101 23.248 36.223 9.266 1.00 34.67 O +ATOM 776 OD2 ASP A 101 21.276 35.519 8.551 1.00 32.70 O +ATOM 777 N GLY A 102 21.723 31.942 11.887 1.00 28.87 N +ATOM 778 CA GLY A 102 20.622 31.656 12.823 1.00 30.67 C +ATOM 779 C GLY A 102 19.812 30.413 12.505 1.00 27.92 C +ATOM 780 O GLY A 102 19.195 29.898 13.458 1.00 30.42 O +ATOM 781 N ASN A 103 19.805 30.005 11.244 1.00 29.26 N +ATOM 782 CA ASN A 103 19.076 28.799 10.848 1.00 25.22 C +ATOM 783 C ASN A 103 19.990 27.600 10.597 1.00 22.06 C +ATOM 784 O ASN A 103 19.472 26.579 10.117 1.00 24.23 O +ATOM 785 CB ASN A 103 17.976 29.046 9.824 1.00 24.87 C +ATOM 786 CG ASN A 103 16.708 28.245 10.063 1.00 27.08 C +ATOM 787 OD1 ASN A 103 16.513 27.577 11.098 1.00 30.30 O +ATOM 788 ND2 ASN A 103 15.672 28.428 9.240 1.00 30.15 N +ATOM 789 N GLY A 104 21.240 27.711 10.997 1.00 23.20 N +ATOM 790 CA GLY A 104 22.177 26.567 10.860 1.00 19.51 C +ATOM 791 C GLY A 104 22.173 26.142 9.388 1.00 15.58 C +ATOM 792 O GLY A 104 22.151 27.040 8.541 1.00 22.50 O +ATOM 793 N MET A 105 22.185 24.847 9.115 1.00 17.51 N +ATOM 794 CA MET A 105 22.278 24.370 7.724 1.00 16.07 C +ATOM 795 C MET A 105 20.915 24.309 7.063 1.00 13.35 C +ATOM 796 O MET A 105 20.902 23.921 5.871 1.00 15.50 O +ATOM 797 CB MET A 105 23.036 23.048 7.632 1.00 19.32 C +ATOM 798 CG MET A 105 24.519 23.221 7.871 1.00 17.10 C +ATOM 799 SD MET A 105 25.379 21.660 7.491 1.00 20.27 S +ATOM 800 CE MET A 105 25.369 21.706 5.703 1.00 20.03 C +ATOM 801 N ASN A 106 19.896 24.839 7.735 1.00 14.64 N +ATOM 802 CA ASN A 106 18.557 24.898 7.103 1.00 18.58 C +ATOM 803 C ASN A 106 18.566 25.831 5.892 1.00 18.20 C +ATOM 804 O ASN A 106 17.678 25.748 5.021 1.00 22.14 O +ATOM 805 CB ASN A 106 17.420 25.150 8.084 1.00 19.18 C +ATOM 806 CG ASN A 106 17.207 23.938 8.967 1.00 19.21 C +ATOM 807 OD1 ASN A 106 16.836 22.867 8.443 1.00 24.65 O +ATOM 808 ND2 ASN A 106 17.542 24.047 10.255 1.00 25.28 N +ATOM 809 N ALA A 107 19.617 26.647 5.800 1.00 18.54 N +ATOM 810 CA ALA A 107 19.824 27.514 4.634 1.00 18.74 C +ATOM 811 C ALA A 107 20.007 26.744 3.329 1.00 16.80 C +ATOM 812 O ALA A 107 19.734 27.292 2.260 1.00 20.63 O +ATOM 813 CB ALA A 107 21.060 28.374 4.877 1.00 19.47 C +ATOM 814 N TRP A 108 20.371 25.465 3.434 1.00 16.46 N +ATOM 815 CA TRP A 108 20.532 24.624 2.241 1.00 14.68 C +ATOM 816 C TRP A 108 19.317 23.688 2.110 1.00 17.55 C +ATOM 817 O TRP A 108 19.240 22.816 2.993 1.00 20.05 O +ATOM 818 CB TRP A 108 21.840 23.826 2.338 1.00 16.18 C +ATOM 819 CG TRP A 108 23.000 24.736 2.026 1.00 15.50 C +ATOM 820 CD1 TRP A 108 23.360 25.234 0.803 1.00 15.45 C +ATOM 821 CD2 TRP A 108 23.798 25.437 2.991 1.00 15.57 C +ATOM 822 NE1 TRP A 108 24.414 26.102 0.952 1.00 17.40 N +ATOM 823 CE2 TRP A 108 24.711 26.237 2.272 1.00 15.78 C +ATOM 824 CE3 TRP A 108 23.833 25.426 4.379 1.00 12.79 C +ATOM 825 CZ2 TRP A 108 25.682 26.985 2.917 1.00 15.77 C +ATOM 826 CZ3 TRP A 108 24.773 26.200 5.033 1.00 16.28 C +ATOM 827 CH2 TRP A 108 25.691 26.960 4.298 1.00 16.65 C +ATOM 828 N VAL A 109 18.487 23.925 1.101 1.00 15.35 N +ATOM 829 CA VAL A 109 17.265 23.096 1.025 1.00 19.96 C +ATOM 830 C VAL A 109 17.573 21.611 0.884 1.00 17.16 C +ATOM 831 O VAL A 109 16.923 20.811 1.587 1.00 20.77 O +ATOM 832 CB VAL A 109 16.146 23.660 0.145 1.00 21.94 C +ATOM 833 CG1 VAL A 109 16.607 23.905 -1.285 1.00 27.84 C +ATOM 834 CG2 VAL A 109 14.901 22.783 0.136 1.00 21.22 C +ATOM 835 N ALA A 110 18.562 21.308 0.075 1.00 20.97 N +ATOM 836 CA ALA A 110 18.972 19.935 -0.237 1.00 18.78 C +ATOM 837 C ALA A 110 19.502 19.244 1.006 1.00 18.30 C +ATOM 838 O ALA A 110 19.197 18.046 1.174 1.00 18.47 O +ATOM 839 CB ALA A 110 19.857 19.777 -1.455 1.00 20.83 C +ATOM 840 N TRP A 111 20.121 19.983 1.892 1.00 16.62 N +ATOM 841 CA TRP A 111 20.551 19.500 3.202 1.00 15.74 C +ATOM 842 C TRP A 111 19.343 19.085 4.046 1.00 19.12 C +ATOM 843 O TRP A 111 19.284 17.986 4.643 1.00 16.20 O +ATOM 844 CB TRP A 111 21.486 20.451 3.925 1.00 14.63 C +ATOM 845 CG TRP A 111 21.858 19.904 5.252 1.00 14.87 C +ATOM 846 CD1 TRP A 111 22.856 18.975 5.486 1.00 18.11 C +ATOM 847 CD2 TRP A 111 21.199 20.093 6.504 1.00 16.63 C +ATOM 848 NE1 TRP A 111 22.848 18.592 6.808 1.00 17.16 N +ATOM 849 CE2 TRP A 111 21.798 19.221 7.435 1.00 16.77 C +ATOM 850 CE3 TRP A 111 20.182 20.959 6.908 1.00 15.16 C +ATOM 851 CZ2 TRP A 111 21.492 19.284 8.784 1.00 17.69 C +ATOM 852 CZ3 TRP A 111 19.818 20.954 8.240 1.00 16.88 C +ATOM 853 CH2 TRP A 111 20.443 20.110 9.162 1.00 19.73 C +ATOM 854 N ARG A 112 18.438 20.038 4.228 1.00 17.47 N +ATOM 855 CA ARG A 112 17.185 19.830 4.955 1.00 19.60 C +ATOM 856 C ARG A 112 16.472 18.593 4.391 1.00 17.68 C +ATOM 857 O ARG A 112 16.000 17.792 5.220 1.00 22.77 O +ATOM 858 CB ARG A 112 16.214 20.990 4.944 1.00 17.57 C +ATOM 859 CG ARG A 112 16.592 22.438 5.091 1.00 25.27 C +ATOM 860 CD ARG A 112 15.368 23.296 5.135 1.00 21.23 C +ATOM 861 NE ARG A 112 14.776 23.555 3.836 1.00 28.06 N +ATOM 862 CZ ARG A 112 14.785 24.695 3.143 1.00 27.89 C +ATOM 863 NH1 ARG A 112 15.596 25.721 3.383 1.00 30.12 N +ATOM 864 NH2 ARG A 112 13.717 25.008 2.398 1.00 30.39 N +ATOM 865 N ASN A 113 16.307 18.521 3.074 1.00 19.43 N +ATOM 866 CA ASN A 113 15.464 17.463 2.491 1.00 20.16 C +ATOM 867 C ASN A 113 16.111 16.083 2.586 1.00 21.26 C +ATOM 868 O ASN A 113 15.454 15.054 2.808 1.00 24.90 O +ATOM 869 CB ASN A 113 14.966 17.779 1.085 1.00 20.43 C +ATOM 870 CG ASN A 113 14.003 18.961 1.018 1.00 16.63 C +ATOM 871 OD1 ASN A 113 13.454 19.344 2.059 1.00 25.68 O +ATOM 872 ND2 ASN A 113 13.840 19.555 -0.159 1.00 22.00 N +ATOM 873 N ARG A 114 17.401 16.041 2.355 1.00 19.72 N +ATOM 874 CA ARG A 114 18.156 14.836 2.042 1.00 21.43 C +ATOM 875 C ARG A 114 19.258 14.440 2.991 1.00 22.71 C +ATOM 876 O ARG A 114 19.505 13.217 3.097 1.00 24.85 O +ATOM 877 CB ARG A 114 18.622 14.910 0.576 1.00 21.05 C +ATOM 878 CG ARG A 114 17.395 14.614 -0.300 1.00 26.59 C +ATOM 879 CD ARG A 114 17.729 14.399 -1.731 1.00 26.92 C +ATOM 880 NE ARG A 114 18.153 15.677 -2.301 1.00 33.46 N +ATOM 881 CZ ARG A 114 17.826 16.080 -3.535 1.00 32.00 C +ATOM 882 NH1 ARG A 114 17.378 15.225 -4.456 1.00 36.02 N +ATOM 883 NH2 ARG A 114 17.735 17.388 -3.796 1.00 36.05 N +ATOM 884 N CYS A 115 19.743 15.372 3.773 1.00 17.56 N +ATOM 885 CA CYS A 115 20.843 15.041 4.708 1.00 15.08 C +ATOM 886 C CYS A 115 20.448 14.933 6.159 1.00 16.64 C +ATOM 887 O CYS A 115 20.972 14.116 6.940 1.00 21.71 O +ATOM 888 CB CYS A 115 21.991 16.018 4.426 1.00 15.21 C +ATOM 889 SG CYS A 115 22.563 16.009 2.739 1.00 19.35 S +ATOM 890 N LYS A 116 19.714 15.918 6.619 1.00 18.76 N +ATOM 891 CA LYS A 116 19.332 16.085 8.025 1.00 19.14 C +ATOM 892 C LYS A 116 18.634 14.821 8.518 1.00 21.91 C +ATOM 893 O LYS A 116 17.819 14.234 7.785 1.00 24.78 O +ATOM 894 CB LYS A 116 18.492 17.363 8.126 1.00 21.01 C +ATOM 895 CG LYS A 116 17.930 17.512 9.547 1.00 21.28 C +ATOM 896 CD LYS A 116 16.745 18.481 9.554 1.00 25.86 C +ATOM 897 CE LYS A 116 16.658 19.147 10.918 1.00 25.58 C +ATOM 898 NZ LYS A 116 15.454 20.010 11.047 1.00 34.69 N +ATOM 899 N GLY A 117 19.152 14.318 9.635 1.00 26.39 N +ATOM 900 CA GLY A 117 18.558 13.126 10.267 1.00 29.06 C +ATOM 901 C GLY A 117 19.018 11.781 9.733 1.00 28.29 C +ATOM 902 O GLY A 117 18.499 10.733 10.164 1.00 31.90 O +ATOM 903 N THR A 118 19.892 11.802 8.740 1.00 26.88 N +ATOM 904 CA THR A 118 20.473 10.578 8.171 1.00 22.31 C +ATOM 905 C THR A 118 21.868 10.375 8.761 1.00 21.43 C +ATOM 906 O THR A 118 22.321 11.119 9.650 1.00 22.31 O +ATOM 907 CB THR A 118 20.440 10.571 6.598 1.00 18.59 C +ATOM 908 OG1 THR A 118 21.560 11.404 6.161 1.00 22.71 O +ATOM 909 CG2 THR A 118 19.095 11.104 6.074 1.00 21.13 C +ATOM 910 N ASP A 119 22.392 9.213 8.431 1.00 21.20 N +ATOM 911 CA ASP A 119 23.768 8.830 8.756 1.00 22.61 C +ATOM 912 C ASP A 119 24.713 9.543 7.779 1.00 20.13 C +ATOM 913 O ASP A 119 25.178 8.950 6.780 1.00 20.57 O +ATOM 914 CB ASP A 119 23.934 7.313 8.738 1.00 21.00 C +ATOM 915 CG ASP A 119 25.347 6.900 9.121 1.00 25.32 C +ATOM 916 OD1 ASP A 119 26.051 7.633 9.830 1.00 27.93 O +ATOM 917 OD2 ASP A 119 25.715 5.746 8.804 1.00 27.31 O +ATOM 918 N VAL A 120 24.988 10.793 8.094 1.00 23.41 N +ATOM 919 CA VAL A 120 25.886 11.637 7.306 1.00 20.10 C +ATOM 920 C VAL A 120 27.342 11.199 7.304 1.00 18.51 C +ATOM 921 O VAL A 120 28.099 11.604 6.406 1.00 19.95 O +ATOM 922 CB VAL A 120 25.721 13.134 7.630 1.00 19.91 C +ATOM 923 CG1 VAL A 120 24.356 13.655 7.183 1.00 23.59 C +ATOM 924 CG2 VAL A 120 26.088 13.478 9.055 1.00 20.79 C +ATOM 925 N GLN A 121 27.701 10.430 8.306 1.00 21.83 N +ATOM 926 CA GLN A 121 29.021 9.783 8.389 1.00 21.12 C +ATOM 927 C GLN A 121 29.317 8.861 7.207 1.00 20.78 C +ATOM 928 O GLN A 121 30.480 8.669 6.820 1.00 19.66 O +ATOM 929 CB GLN A 121 29.088 9.048 9.728 1.00 24.21 C +ATOM 930 CG GLN A 121 30.530 8.965 10.167 1.00 26.13 C +ATOM 931 CD GLN A 121 30.615 8.877 11.674 1.00 26.94 C +ATOM 932 OE1 GLN A 121 31.368 9.632 12.283 1.00 31.43 O +ATOM 933 NE2 GLN A 121 29.884 7.871 12.151 1.00 28.26 N +ATOM 934 N ALA A 122 28.300 8.271 6.576 1.00 17.62 N +ATOM 935 CA ALA A 122 28.390 7.548 5.311 1.00 19.46 C +ATOM 936 C ALA A 122 29.186 8.290 4.227 1.00 17.98 C +ATOM 937 O ALA A 122 30.031 7.710 3.523 1.00 21.35 O +ATOM 938 CB ALA A 122 26.999 7.244 4.783 1.00 18.29 C +ATOM 939 N TRP A 123 29.021 9.616 4.240 1.00 18.07 N +ATOM 940 CA TRP A 123 29.703 10.502 3.283 1.00 16.76 C +ATOM 941 C TRP A 123 31.218 10.581 3.392 1.00 16.76 C +ATOM 942 O TRP A 123 31.905 10.942 2.412 1.00 20.08 O +ATOM 943 CB TRP A 123 29.027 11.872 3.347 1.00 19.49 C +ATOM 944 CG TRP A 123 27.621 11.735 2.850 1.00 17.43 C +ATOM 945 CD1 TRP A 123 26.485 11.608 3.588 1.00 19.42 C +ATOM 946 CD2 TRP A 123 27.241 11.547 1.481 1.00 17.47 C +ATOM 947 NE1 TRP A 123 25.405 11.458 2.774 1.00 18.86 N +ATOM 948 CE2 TRP A 123 25.827 11.391 1.479 1.00 17.28 C +ATOM 949 CE3 TRP A 123 27.947 11.468 0.283 1.00 20.03 C +ATOM 950 CZ2 TRP A 123 25.111 11.184 0.311 1.00 18.33 C +ATOM 951 CZ3 TRP A 123 27.222 11.329 -0.886 1.00 20.85 C +ATOM 952 CH2 TRP A 123 25.835 11.127 -0.869 1.00 20.45 C +ATOM 953 N ILE A 124 31.741 10.269 4.554 1.00 14.19 N +ATOM 954 CA ILE A 124 33.186 10.292 4.801 1.00 16.82 C +ATOM 955 C ILE A 124 33.863 8.955 5.024 1.00 18.45 C +ATOM 956 O ILE A 124 35.100 8.892 5.134 1.00 21.02 O +ATOM 957 CB ILE A 124 33.504 11.403 5.863 1.00 17.69 C +ATOM 958 CG1 ILE A 124 32.956 10.984 7.234 1.00 18.86 C +ATOM 959 CG2 ILE A 124 33.024 12.804 5.387 1.00 21.01 C +ATOM 960 CD1 ILE A 124 33.729 11.437 8.488 1.00 22.81 C +ATOM 961 N ARG A 125 33.080 7.898 5.131 1.00 21.05 N +ATOM 962 CA ARG A 125 33.594 6.534 5.320 1.00 19.12 C +ATOM 963 C ARG A 125 34.311 6.113 4.036 1.00 17.52 C +ATOM 964 O ARG A 125 33.843 6.337 2.906 1.00 23.44 O +ATOM 965 CB ARG A 125 32.476 5.551 5.650 1.00 19.54 C +ATOM 966 CG ARG A 125 32.117 5.596 7.145 1.00 22.40 C +ATOM 967 CD ARG A 125 31.277 4.392 7.482 1.00 24.05 C +ATOM 968 NE ARG A 125 30.282 4.754 8.466 1.00 28.08 N +ATOM 969 CZ ARG A 125 28.984 4.993 8.331 1.00 23.40 C +ATOM 970 NH1 ARG A 125 28.334 4.690 7.207 1.00 23.69 N +ATOM 971 NH2 ARG A 125 28.392 5.549 9.392 1.00 23.77 N +ATOM 972 N GLY A 126 35.497 5.568 4.243 1.00 18.80 N +ATOM 973 CA GLY A 126 36.291 5.058 3.102 1.00 21.28 C +ATOM 974 C GLY A 126 37.334 6.066 2.658 1.00 22.50 C +ATOM 975 O GLY A 126 38.220 5.729 1.855 1.00 23.59 O +ATOM 976 N CYS A 127 37.335 7.221 3.297 1.00 19.05 N +ATOM 977 CA CYS A 127 38.234 8.333 2.961 1.00 19.13 C +ATOM 978 C CYS A 127 39.422 8.382 3.925 1.00 22.50 C +ATOM 979 O CYS A 127 39.206 8.267 5.138 1.00 21.64 O +ATOM 980 CB CYS A 127 37.453 9.628 2.990 1.00 18.75 C +ATOM 981 SG CYS A 127 36.010 9.816 1.936 1.00 19.93 S +ATOM 982 N ARG A 128 40.586 8.695 3.393 1.00 23.60 N +ATOM 983 CA ARG A 128 41.774 8.960 4.217 1.00 28.29 C +ATOM 984 C ARG A 128 41.820 10.438 4.578 1.00 25.64 C +ATOM 985 O ARG A 128 41.976 11.291 3.694 1.00 30.98 O +ATOM 986 CB ARG A 128 43.047 8.304 3.707 1.00 30.82 C +ATOM 987 CG ARG A 128 43.231 6.886 4.280 1.00 34.25 C +ATOM 988 CD ARG A 128 43.833 6.911 5.651 1.00 33.59 C +ATOM 989 NE ARG A 128 45.246 7.263 5.636 1.00 37.63 N +ATOM 990 CZ ARG A 128 45.862 8.258 6.281 1.00 38.37 C +ATOM 991 NH1 ARG A 128 45.241 9.069 7.151 1.00 38.97 N +ATOM 992 NH2 ARG A 128 47.134 8.554 5.973 1.00 40.22 N +ATOM 993 N LEU A 129 41.289 10.715 5.771 1.00 26.05 N +ATOM 994 CA LEU A 129 41.094 12.084 6.273 1.00 26.89 C +ATOM 995 C LEU A 129 42.119 12.382 7.370 1.00 29.58 C +ATOM 996 O LEU A 129 41.730 12.276 8.559 1.00 33.54 O +ATOM 997 CB LEU A 129 39.635 12.335 6.646 1.00 26.31 C +ATOM 998 CG LEU A 129 38.689 12.917 5.620 1.00 23.49 C +ATOM 999 CD1 LEU A 129 39.112 12.657 4.191 1.00 26.43 C +ATOM 1000 CD2 LEU A 129 37.310 12.325 5.886 1.00 25.15 C +ATOM 1001 OXT LEU A 129 43.232 12.675 6.905 1.00 34.20 O +TER 1002 LEU A 129 +END diff --git a/biobb_wf_md_setup/tests/python/reference/step4_pdb2gmx/pdb2gmx.gro b/biobb_wf_md_setup/tests/python/reference/step4_pdb2gmx/pdb2gmx.gro new file mode 100644 index 0000000..97c8f55 --- /dev/null +++ b/biobb_wf_md_setup/tests/python/reference/step4_pdb2gmx/pdb2gmx.gro @@ -0,0 +1,1963 @@ +GRowing Old MAkes el Chrono Sweat + 1960 + 1LYS N 1 3.536 2.234 -1.198 + 1LYS H1 2 3.472 2.214 -1.272 + 1LYS H2 3 3.490 2.285 -1.126 + 1LYS H3 4 3.612 2.289 -1.234 + 1LYS CA 5 3.589 2.107 -1.143 + 1LYS HA 6 3.633 2.055 -1.216 + 1LYS CB 7 3.687 2.144 -1.031 + 1LYS HB1 8 3.639 2.201 -0.964 + 1LYS HB2 9 3.763 2.195 -1.070 + 1LYS CG 10 3.745 2.025 -0.956 + 1LYS HG1 11 3.770 1.954 -1.023 + 1LYS HG2 12 3.676 1.989 -0.894 + 1LYS CD 13 3.869 2.065 -0.877 + 1LYS HD1 14 3.849 2.147 -0.824 + 1LYS HD2 15 3.945 2.083 -0.940 + 1LYS CE 16 3.906 1.951 -0.784 + 1LYS HE1 17 3.906 1.864 -0.833 + 1LYS HE2 18 3.841 1.946 -0.708 + 1LYS NZ 19 4.042 1.977 -0.730 + 1LYS HZ1 20 4.069 1.903 -0.668 + 1LYS HZ2 21 4.108 1.982 -0.806 + 1LYS HZ3 22 4.042 2.064 -0.680 + 1LYS C 23 3.474 2.026 -1.084 + 1LYS O 24 3.395 2.081 -1.008 + 2VAL N 25 3.474 1.896 -1.104 + 2VAL H 26 3.536 1.860 -1.174 + 2VAL CA 27 3.390 1.800 -1.033 + 2VAL HA 28 3.317 1.852 -0.990 + 2VAL CB 29 3.314 1.703 -1.123 + 2VAL HB 30 3.386 1.652 -1.170 + 2VAL CG1 31 3.225 1.608 -1.043 + 2VAL HG11 32 3.177 1.547 -1.106 + 2VAL HG12 33 3.282 1.555 -0.981 + 2VAL HG13 34 3.158 1.661 -0.991 + 2VAL CG2 35 3.229 1.771 -1.229 + 2VAL HG21 36 3.183 1.702 -1.284 + 2VAL HG22 37 3.162 1.830 -1.185 + 2VAL HG23 38 3.288 1.827 -1.288 + 2VAL C 39 3.480 1.731 -0.929 + 2VAL O 40 3.576 1.661 -0.966 + 3PHE N 41 3.449 1.755 -0.804 + 3PHE H 42 3.375 1.819 -0.784 + 3PHE CA 43 3.519 1.690 -0.692 + 3PHE HA 44 3.615 1.697 -0.717 + 3PHE CB 45 3.497 1.763 -0.559 + 3PHE HB1 46 3.506 1.698 -0.484 + 3PHE HB2 47 3.405 1.802 -0.558 + 3PHE CG 48 3.594 1.874 -0.538 + 3PHE CD1 49 3.567 2.005 -0.580 + 3PHE HD1 50 3.481 2.025 -0.627 + 3PHE CE1 51 3.658 2.108 -0.557 + 3PHE HE1 52 3.648 2.195 -0.604 + 3PHE CZ 53 3.764 2.087 -0.467 + 3PHE HZ 54 3.822 2.164 -0.439 + 3PHE CE2 55 3.787 1.959 -0.416 + 3PHE HE2 56 3.866 1.942 -0.357 + 3PHE CD2 57 3.700 1.856 -0.447 + 3PHE HD2 58 3.713 1.766 -0.405 + 3PHE C 59 3.474 1.544 -0.677 + 3PHE O 60 3.352 1.516 -0.686 + 4GLY N 61 3.572 1.464 -0.633 + 4GLY H 62 3.667 1.495 -0.632 + 4GLY CA 63 3.537 1.328 -0.587 + 4GLY HA1 64 3.616 1.268 -0.594 + 4GLY HA2 65 3.462 1.292 -0.643 + 4GLY C 66 3.492 1.342 -0.442 + 4GLY O 67 3.530 1.440 -0.378 + 5ARG N 68 3.405 1.254 -0.397 + 5ARG H 69 3.371 1.184 -0.460 + 5ARG CA 70 3.356 1.254 -0.259 + 5ARG HA 71 3.298 1.334 -0.252 + 5ARG CB 72 3.276 1.126 -0.233 + 5ARG HB1 73 3.336 1.047 -0.247 + 5ARG HB2 74 3.200 1.122 -0.297 + 5ARG CG 75 3.221 1.120 -0.092 + 5ARG HG1 76 3.165 1.201 -0.075 + 5ARG HG2 77 3.297 1.117 -0.027 + 5ARG CD 78 3.138 1.000 -0.072 + 5ARG HD1 79 3.060 1.005 -0.135 + 5ARG HD2 80 3.104 0.999 0.022 + 5ARG NE 81 3.206 0.875 -0.096 + 5ARG HE 82 3.202 0.840 -0.189 + 5ARG CZ 83 3.273 0.801 -0.010 + 5ARG NH1 84 3.284 0.833 0.119 + 5ARG HH11 85 3.239 0.916 0.153 + 5ARG HH12 86 3.336 0.775 0.181 + 5ARG NH2 87 3.325 0.684 -0.053 + 5ARG HH21 88 3.311 0.655 -0.147 + 5ARG HH22 89 3.376 0.626 0.010 + 5ARG C 90 3.467 1.273 -0.156 + 5ARG O 91 3.467 1.365 -0.070 + 6CYS N 92 3.567 1.185 -0.161 + 6CYS H 93 3.567 1.116 -0.233 + 6CYS CA 94 3.678 1.187 -0.065 + 6CYS HA 95 3.631 1.202 0.022 + 6CYS CB 96 3.749 1.053 -0.062 + 6CYS HB1 97 3.834 1.072 -0.013 + 6CYS HB2 98 3.770 1.034 -0.158 + 6CYS SG 99 3.654 0.920 0.014 + 6CYS C 100 3.775 1.305 -0.078 + 6CYS O 101 3.815 1.361 0.026 + 7GLU N 102 3.786 1.348 -0.202 + 7GLU H 103 3.740 1.300 -0.276 + 7GLU CA 104 3.868 1.469 -0.231 + 7GLU HA 105 3.960 1.455 -0.193 + 7GLU CB 106 3.878 1.485 -0.382 + 7GLU HB1 107 3.785 1.489 -0.417 + 7GLU HB2 108 3.923 1.402 -0.417 + 7GLU CG 109 3.954 1.605 -0.438 + 7GLU HG1 110 4.049 1.598 -0.407 + 7GLU HG2 111 3.913 1.687 -0.399 + 7GLU CD 112 3.958 1.624 -0.587 + 7GLU OE1 113 3.867 1.564 -0.649 + 7GLU OE2 114 4.042 1.695 -0.638 + 7GLU C 115 3.805 1.593 -0.166 + 7GLU O 116 3.874 1.673 -0.101 + 8LEU N 117 3.674 1.605 -0.182 + 8LEU H 118 3.626 1.535 -0.235 + 8LEU CA 119 3.596 1.716 -0.125 + 8LEU HA 120 3.640 1.801 -0.156 + 8LEU CB 121 3.453 1.717 -0.181 + 8LEU HB1 122 3.406 1.633 -0.153 + 8LEU HB2 123 3.457 1.722 -0.281 + 8LEU CG 124 3.372 1.835 -0.131 + 8LEU HG 125 3.378 1.842 -0.031 + 8LEU CD1 126 3.430 1.966 -0.184 + 8LEU HD11 127 3.376 2.043 -0.150 + 8LEU HD12 128 3.524 1.975 -0.153 + 8LEU HD13 129 3.427 1.965 -0.284 + 8LEU CD2 130 3.225 1.814 -0.160 + 8LEU HD21 131 3.172 1.893 -0.126 + 8LEU HD22 132 3.211 1.805 -0.258 + 8LEU HD23 133 3.193 1.731 -0.114 + 8LEU C 134 3.605 1.713 0.027 + 8LEU O 135 3.616 1.817 0.092 + 9ALA N 136 3.575 1.598 0.083 + 9ALA H 137 3.546 1.522 0.024 + 9ALA CA 138 3.584 1.576 0.228 + 9ALA HA 139 3.508 1.626 0.269 + 9ALA CB 140 3.566 1.429 0.262 + 9ALA HB1 141 3.572 1.416 0.361 + 9ALA HB2 142 3.476 1.398 0.230 + 9ALA HB3 143 3.637 1.375 0.218 + 9ALA C 144 3.714 1.631 0.284 + 9ALA O 145 3.715 1.698 0.390 + 10ALA N 146 3.827 1.598 0.220 + 10ALA H 147 3.820 1.539 0.140 + 10ALA CA 148 3.961 1.643 0.262 + 10ALA HA 149 3.969 1.619 0.358 + 10ALA CB 150 4.071 1.571 0.184 + 10ALA HB1 151 4.160 1.603 0.215 + 10ALA HB2 152 4.064 1.472 0.201 + 10ALA HB3 153 4.060 1.589 0.086 + 10ALA C 154 3.974 1.794 0.246 + 10ALA O 155 4.019 1.850 0.347 + 11ALA N 156 3.923 1.852 0.139 + 11ALA H 157 3.881 1.795 0.067 + 11ALA CA 158 3.926 1.998 0.122 + 11ALA HA 159 4.023 2.023 0.133 + 11ALA CB 160 3.887 2.042 -0.018 + 11ALA HB1 161 3.891 2.142 -0.024 + 11ALA HB2 162 3.950 2.002 -0.084 + 11ALA HB3 163 3.794 2.011 -0.037 + 11ALA C 164 3.849 2.070 0.232 + 11ALA O 165 3.895 2.166 0.295 + 12MET N 166 3.729 2.021 0.259 + 12MET H 167 3.697 1.942 0.207 + 12MET CA 168 3.640 2.078 0.361 + 12MET HA 169 3.634 2.175 0.339 + 12MET CB 170 3.499 2.021 0.352 + 12MET HB1 171 3.446 2.050 0.431 + 12MET HB2 172 3.504 1.921 0.348 + 12MET CG 173 3.432 2.072 0.227 + 12MET HG1 174 3.490 2.044 0.150 + 12MET HG2 175 3.432 2.172 0.233 + 12MET SD 176 3.263 1.999 0.223 + 12MET CE 177 3.179 2.114 0.114 + 12MET HE1 178 3.084 2.085 0.103 + 12MET HE2 179 3.182 2.205 0.153 + 12MET HE3 180 3.224 2.114 0.025 + 12MET C 181 3.699 2.072 0.501 + 12MET O 182 3.691 2.164 0.584 + 13LYS N 183 3.769 1.963 0.531 + 13LYS H 184 3.774 1.891 0.462 + 13LYS CA 185 3.839 1.939 0.658 + 13LYS HA 186 3.775 1.946 0.735 + 13LYS CB 187 3.893 1.795 0.657 + 13LYS HB1 188 3.952 1.785 0.577 + 13LYS HB2 189 3.816 1.732 0.650 + 13LYS CG 190 3.974 1.755 0.780 + 13LYS HG1 191 4.009 1.839 0.823 + 13LYS HG2 192 4.051 1.699 0.750 + 13LYS CD 193 3.897 1.678 0.883 + 13LYS HD1 194 3.799 1.691 0.868 + 13LYS HD2 195 3.922 1.711 0.974 + 13LYS CE 196 3.929 1.531 0.875 + 13LYS HE1 197 3.996 1.507 0.946 + 13LYS HE2 198 3.968 1.510 0.785 + 13LYS NZ 199 3.808 1.446 0.895 + 13LYS HZ1 200 3.833 1.350 0.888 + 13LYS HZ2 201 3.768 1.465 0.985 + 13LYS HZ3 202 3.740 1.468 0.824 + 13LYS C 203 3.946 2.047 0.673 + 13LYS O 204 3.951 2.114 0.778 + 14ARG N 205 4.027 2.063 0.569 + 14ARG H 206 4.011 2.009 0.486 + 14ARG CA 207 4.139 2.158 0.571 + 14ARG HA 208 4.189 2.135 0.655 + 14ARG CB 209 4.239 2.135 0.460 + 14ARG HB1 210 4.239 2.037 0.440 + 14ARG HB2 211 4.328 2.162 0.495 + 14ARG CG 212 4.217 2.208 0.329 + 14ARG HG1 213 4.190 2.302 0.347 + 14ARG HG2 214 4.145 2.162 0.277 + 14ARG CD 215 4.344 2.207 0.249 + 14ARG HD1 216 4.421 2.237 0.306 + 14ARG HD2 217 4.336 2.269 0.171 + 14ARG NE 218 4.369 2.071 0.201 + 14ARG HE 219 4.430 2.011 0.253 + 14ARG CZ 220 4.310 2.026 0.089 + 14ARG NH1 221 4.269 2.119 0.002 + 14ARG HH11 222 4.284 2.216 0.022 + 14ARG HH12 223 4.225 2.091 -0.083 + 14ARG NH2 224 4.295 1.896 0.069 + 14ARG HH21 225 4.328 1.830 0.137 + 14ARG HH22 226 4.251 1.863 -0.015 + 14ARG C 227 4.093 2.302 0.588 + 14ARG O 228 4.156 2.383 0.658 + 15HIS N 229 3.968 2.325 0.546 + 15HIS H 230 3.914 2.249 0.510 + 15HIS CA 231 3.908 2.459 0.553 + 15HIS HA 232 3.988 2.519 0.554 + 15HIS CB 233 3.822 2.492 0.428 + 15HIS HB1 234 3.757 2.564 0.450 + 15HIS HB2 235 3.773 2.410 0.398 + 15HIS CG 236 3.908 2.539 0.317 + 15HIS ND1 237 3.946 2.464 0.209 + 15HIS CE1 238 4.021 2.531 0.126 + 15HIS HE1 239 4.049 2.504 0.034 + 15HIS NE2 240 4.052 2.642 0.189 + 15HIS HE2 241 4.124 2.706 0.160 + 15HIS CD2 242 3.974 2.657 0.299 + 15HIS HD2 243 3.966 2.739 0.356 + 15HIS C 244 3.831 2.486 0.681 + 15HIS O 245 3.761 2.588 0.695 + 16GLY N 246 3.830 2.393 0.772 + 16GLY H 247 3.869 2.305 0.746 + 16GLY CA 248 3.776 2.402 0.907 + 16GLY HA1 249 3.799 2.494 0.940 + 16GLY HA2 250 3.825 2.334 0.962 + 16GLY C 251 3.626 2.380 0.921 + 16GLY O 252 3.565 2.440 1.013 + 17LEU N 253 3.566 2.307 0.827 + 17LEU H 254 3.622 2.270 0.753 + 17LEU CA 255 3.424 2.280 0.830 + 17LEU HA 256 3.386 2.364 0.869 + 17LEU CB 257 3.365 2.265 0.690 + 17LEU HB1 258 3.275 2.222 0.700 + 17LEU HB2 259 3.425 2.204 0.639 + 17LEU CG 260 3.345 2.389 0.606 + 17LEU HG 261 3.433 2.436 0.598 + 17LEU CD1 262 3.293 2.342 0.470 + 17LEU HD11 263 3.279 2.421 0.411 + 17LEU HD12 264 3.360 2.281 0.429 + 17LEU HD13 265 3.207 2.293 0.483 + 17LEU CD2 266 3.256 2.495 0.668 + 17LEU HD21 267 3.248 2.573 0.606 + 17LEU HD22 268 3.165 2.456 0.684 + 17LEU HD23 269 3.295 2.525 0.755 + 17LEU C 270 3.385 2.168 0.927 + 17LEU O 271 3.264 2.159 0.955 + 18ASP N 272 3.478 2.081 0.961 + 18ASP H 273 3.571 2.091 0.923 + 18ASP CA 274 3.449 1.972 1.053 + 18ASP HA 275 3.372 1.928 1.007 + 18ASP CB 276 3.556 1.863 1.060 + 18ASP HB1 277 3.635 1.898 1.110 + 18ASP HB2 278 3.583 1.838 0.967 + 18ASP CG 279 3.502 1.741 1.131 + 18ASP OD1 280 3.381 1.715 1.145 + 18ASP OD2 281 3.592 1.660 1.166 + 18ASP C 282 3.401 2.022 1.190 + 18ASP O 283 3.483 2.078 1.266 + 19ASN N 284 3.275 1.999 1.220 + 19ASN H 285 3.219 1.949 1.155 + 19ASN CA 286 3.212 2.043 1.345 + 19ASN HA 287 3.129 1.989 1.334 + 19ASN CB 288 3.277 2.000 1.477 + 19ASN HB1 289 3.372 2.031 1.475 + 19ASN HB2 290 3.274 1.901 1.481 + 19ASN CG 291 3.216 2.051 1.606 + 19ASN OD1 292 3.097 2.027 1.635 + 19ASN ND2 293 3.285 2.136 1.685 + 19ASN HD21 294 3.376 2.166 1.659 + 19ASN HD22 295 3.244 2.169 1.770 + 19ASN C 296 3.185 2.194 1.350 + 19ASN O 297 3.143 2.240 1.457 + 20TYR N 298 3.197 2.265 1.241 + 20TYR H 299 3.224 2.220 1.155 + 20TYR CA 300 3.171 2.410 1.241 + 20TYR HA 301 3.230 2.450 1.311 + 20TYR CB 302 3.207 2.474 1.107 + 20TYR HB1 303 3.141 2.445 1.038 + 20TYR HB2 304 3.298 2.443 1.080 + 20TYR CG 305 3.206 2.625 1.114 + 20TYR CD1 306 3.314 2.689 1.176 + 20TYR HD1 307 3.387 2.634 1.218 + 20TYR CE1 308 3.321 2.828 1.179 + 20TYR HE1 309 3.404 2.874 1.211 + 20TYR CZ 310 3.210 2.902 1.138 + 20TYR OH 311 3.214 3.037 1.153 + 20TYR HH 312 3.128 3.076 1.119 + 20TYR CE2 313 3.102 2.840 1.078 + 20TYR HE2 314 3.027 2.895 1.041 + 20TYR CD2 315 3.098 2.700 1.069 + 20TYR HD2 316 3.018 2.655 1.030 + 20TYR C 317 3.023 2.434 1.276 + 20TYR O 318 2.929 2.387 1.212 + 21ARG N 319 3.009 2.514 1.380 + 21ARG H 320 3.091 2.548 1.426 + 21ARG CA 321 2.877 2.555 1.432 + 21ARG HA 322 2.897 2.605 1.516 + 21ARG CB 323 2.801 2.657 1.345 + 21ARG HB1 324 2.705 2.656 1.373 + 21ARG HB2 325 2.808 2.627 1.250 + 21ARG CG 326 2.851 2.799 1.354 + 21ARG HG1 327 2.815 2.849 1.274 + 21ARG HG2 328 2.951 2.798 1.350 + 21ARG CD 329 2.811 2.875 1.477 + 21ARG HD1 330 2.769 2.815 1.544 + 21ARG HD2 331 2.747 2.949 1.454 + 21ARG NE 332 2.932 2.932 1.532 + 21ARG HE 333 2.954 2.891 1.621 + 21ARG CZ 334 3.022 3.023 1.498 + 21ARG NH1 335 3.150 2.986 1.485 + 21ARG HH11 336 3.176 2.890 1.501 + 21ARG HH12 337 3.220 3.053 1.459 + 21ARG NH2 338 2.994 3.144 1.449 + 21ARG HH21 339 2.899 3.172 1.437 + 21ARG HH22 340 3.068 3.206 1.426 + 21ARG C 341 2.796 2.431 1.462 + 21ARG O 342 2.673 2.433 1.461 + 22GLY N 343 2.869 2.325 1.500 + 22GLY H 344 2.968 2.330 1.492 + 22GLY CA 345 2.810 2.202 1.552 + 22GLY HA1 346 2.728 2.227 1.602 + 22GLY HA2 347 2.877 2.161 1.615 + 22GLY C 348 2.775 2.102 1.444 + 22GLY O 349 2.708 2.002 1.478 + 23TYR N 350 2.821 2.123 1.322 + 23TYR H 351 2.879 2.203 1.304 + 23TYR CA 352 2.789 2.032 1.211 + 23TYR HA 353 2.720 1.970 1.250 + 23TYR CB 354 2.735 2.111 1.091 + 23TYR HB1 355 2.727 2.049 1.013 + 23TYR HB2 356 2.800 2.183 1.070 + 23TYR CG 357 2.600 2.174 1.113 + 23TYR CD1 358 2.485 2.096 1.114 + 23TYR HD1 359 2.491 1.998 1.094 + 23TYR CE1 360 2.360 2.152 1.142 + 23TYR HE1 361 2.278 2.095 1.142 + 23TYR CZ 362 2.352 2.288 1.170 + 23TYR OH 363 2.229 2.344 1.191 + 23TYR HH 364 2.239 2.441 1.210 + 23TYR CE2 365 2.465 2.367 1.173 + 23TYR HE2 366 2.458 2.465 1.193 + 23TYR CD2 367 2.590 2.310 1.146 + 23TYR HD2 368 2.672 2.366 1.150 + 23TYR C 369 2.912 1.953 1.163 + 23TYR O 370 3.004 2.019 1.114 + 24SER N 371 2.903 1.822 1.181 + 24SER H 372 2.820 1.783 1.222 + 24SER CA 373 3.014 1.735 1.141 + 24SER HA 374 3.095 1.771 1.187 + 24SER CB 375 2.992 1.593 1.191 + 24SER HB1 376 2.977 1.593 1.290 + 24SER HB2 377 3.071 1.536 1.169 + 24SER OG 378 2.880 1.534 1.131 + 24SER HG 379 2.869 1.441 1.166 + 24SER C 380 3.036 1.738 0.989 + 24SER O 381 2.944 1.769 0.914 + 25LEU N 382 3.159 1.703 0.954 + 25LEU H 383 3.223 1.671 1.024 + 25LEU CA 384 3.204 1.709 0.814 + 25LEU HA 385 3.208 1.805 0.787 + 25LEU CB 386 3.341 1.641 0.808 + 25LEU HB1 387 3.331 1.545 0.834 + 25LEU HB2 388 3.403 1.686 0.872 + 25LEU CG 389 3.401 1.648 0.669 + 25LEU HG 390 3.342 1.602 0.602 + 25LEU CD1 391 3.417 1.793 0.629 + 25LEU HD11 392 3.457 1.798 0.537 + 25LEU HD12 393 3.328 1.837 0.629 + 25LEU HD13 394 3.478 1.839 0.694 + 25LEU CD2 395 3.540 1.581 0.675 + 25LEU HD21 396 3.582 1.584 0.585 + 25LEU HD22 397 3.597 1.630 0.741 + 25LEU HD23 398 3.530 1.486 0.704 + 25LEU C 399 3.103 1.644 0.718 + 25LEU O 400 3.087 1.692 0.606 + 26GLY N 401 3.050 1.528 0.758 + 26GLY H 402 3.077 1.490 0.846 + 26GLY CA 403 2.954 1.456 0.676 + 26GLY HA1 404 2.921 1.379 0.730 + 26GLY HA2 405 3.004 1.422 0.596 + 26GLY C 406 2.834 1.538 0.628 + 26GLY O 407 2.789 1.525 0.512 + 27ASN N 408 2.790 1.628 0.716 + 27ASN H 409 2.833 1.631 0.806 + 27ASN CA 410 2.683 1.723 0.686 + 27ASN HA 411 2.602 1.667 0.668 + 27ASN CB 412 2.648 1.813 0.805 + 27ASN HB1 413 2.594 1.891 0.775 + 27ASN HB2 414 2.732 1.846 0.849 + 27ASN CG 415 2.568 1.727 0.905 + 27ASN OD1 416 2.451 1.693 0.882 + 27ASN ND2 417 2.635 1.705 1.017 + 27ASN HD21 418 2.726 1.743 1.029 + 27ASN HD22 419 2.594 1.651 1.090 + 27ASN C 420 2.716 1.801 0.560 + 27ASN O 421 2.632 1.821 0.472 + 28TRP N 422 2.834 1.859 0.558 + 28TRP H 423 2.896 1.842 0.635 + 28TRP CA 424 2.883 1.947 0.451 + 28TRP HA 425 2.816 2.019 0.432 + 28TRP CB 426 3.010 2.014 0.502 + 28TRP HB1 427 3.046 2.074 0.430 + 28TRP HB2 428 3.078 1.943 0.523 + 28TRP CG 429 2.994 2.098 0.625 + 28TRP CD1 430 3.018 2.062 0.755 + 28TRP HD1 431 3.049 1.972 0.785 + 28TRP NE1 432 2.992 2.169 0.836 + 28TRP HE1 433 3.014 2.173 0.934 + 28TRP CE2 434 2.934 2.268 0.764 + 28TRP CZ2 435 2.891 2.394 0.804 + 28TRP HZ2 436 2.895 2.424 0.899 + 28TRP CH2 437 2.843 2.477 0.702 + 28TRP HH2 438 2.809 2.567 0.728 + 28TRP CZ3 439 2.840 2.440 0.568 + 28TRP HZ3 440 2.802 2.503 0.500 + 28TRP CE3 441 2.889 2.317 0.530 + 28TRP HE3 442 2.895 2.292 0.433 + 28TRP CD2 443 2.932 2.228 0.629 + 28TRP C 444 2.894 1.874 0.318 + 28TRP O 445 2.874 1.932 0.209 + 29VAL N 446 2.957 1.754 0.326 + 29VAL H 447 2.993 1.722 0.414 + 29VAL CA 448 2.973 1.671 0.205 + 29VAL HA 449 3.017 1.729 0.136 + 29VAL CB 450 3.065 1.549 0.236 + 29VAL HB 451 3.028 1.492 0.309 + 29VAL CG1 452 3.078 1.460 0.114 + 29VAL HG11 453 3.137 1.382 0.135 + 29VAL HG12 454 2.988 1.426 0.087 + 29VAL HG13 455 3.118 1.512 0.038 + 29VAL CG2 456 3.201 1.605 0.277 + 29VAL HG21 457 3.263 1.529 0.298 + 29VAL HG22 458 3.239 1.659 0.202 + 29VAL HG23 459 3.190 1.663 0.358 + 29VAL C 460 2.838 1.634 0.143 + 29VAL O 461 2.817 1.650 0.023 + 30CYS N 462 2.750 1.591 0.230 + 30CYS H 463 2.780 1.580 0.325 + 30CYS CA 464 2.612 1.557 0.199 + 30CYS HA 465 2.620 1.480 0.136 + 30CYS CB 466 2.534 1.505 0.317 + 30CYS HB1 467 2.527 1.583 0.379 + 30CYS HB2 468 2.594 1.436 0.358 + 30CYS SG 469 2.372 1.438 0.269 + 30CYS C 470 2.539 1.672 0.130 + 30CYS O 471 2.489 1.652 0.017 + 31ALA N 472 2.553 1.791 0.187 + 31ALA H 473 2.606 1.798 0.272 + 31ALA CA 474 2.495 1.913 0.131 + 31ALA HA 475 2.396 1.897 0.128 + 31ALA CB 476 2.517 2.033 0.220 + 31ALA HB1 477 2.475 2.114 0.178 + 31ALA HB2 478 2.474 2.017 0.309 + 31ALA HB3 479 2.615 2.049 0.232 + 31ALA C 480 2.549 1.935 -0.012 + 31ALA O 481 2.467 1.969 -0.100 + 32ALA N 482 2.681 1.935 -0.029 + 32ALA H 483 2.739 1.922 0.052 + 32ALA CA 484 2.746 1.954 -0.158 + 32ALA HA 485 2.720 2.045 -0.190 + 32ALA CB 486 2.898 1.948 -0.140 + 32ALA HB1 487 2.943 1.960 -0.228 + 32ALA HB2 488 2.927 2.020 -0.077 + 32ALA HB3 489 2.924 1.859 -0.102 + 32ALA C 490 2.694 1.854 -0.262 + 32ALA O 491 2.677 1.886 -0.379 + 33LYS N 492 2.673 1.730 -0.219 + 33LYS H 493 2.691 1.710 -0.123 + 33LYS CA 494 2.626 1.622 -0.304 + 33LYS HA 495 2.697 1.616 -0.374 + 33LYS CB 496 2.622 1.486 -0.235 + 33LYS HB1 497 2.564 1.495 -0.154 + 33LYS HB2 498 2.715 1.464 -0.207 + 33LYS CG 499 2.570 1.370 -0.319 + 33LYS HG1 500 2.476 1.391 -0.346 + 33LYS HG2 501 2.570 1.288 -0.261 + 33LYS CD 502 2.650 1.340 -0.445 + 33LYS HD1 503 2.736 1.296 -0.420 + 33LYS HD2 504 2.668 1.425 -0.494 + 33LYS CE 505 2.569 1.246 -0.533 + 33LYS HE1 506 2.487 1.295 -0.565 + 33LYS HE2 507 2.541 1.167 -0.479 + 33LYS NZ 508 2.642 1.198 -0.652 + 33LYS HZ1 509 2.583 1.137 -0.706 + 33LYS HZ2 510 2.669 1.276 -0.709 + 33LYS HZ3 511 2.724 1.148 -0.623 + 33LYS C 512 2.490 1.656 -0.366 + 33LYS O 513 2.481 1.651 -0.489 + 34PHE N 514 2.397 1.695 -0.282 + 34PHE H 515 2.422 1.713 -0.186 + 34PHE CA 516 2.257 1.712 -0.325 + 34PHE HA 517 2.238 1.652 -0.402 + 34PHE CB 518 2.163 1.667 -0.213 + 34PHE HB1 519 2.069 1.696 -0.235 + 34PHE HB2 520 2.191 1.709 -0.127 + 34PHE CG 521 2.164 1.517 -0.197 + 34PHE CD1 522 2.121 1.435 -0.301 + 34PHE HD1 523 2.078 1.475 -0.382 + 34PHE CE1 524 2.137 1.296 -0.291 + 34PHE HE1 525 2.110 1.237 -0.367 + 34PHE CZ 526 2.192 1.241 -0.174 + 34PHE HZ 527 2.194 1.141 -0.161 + 34PHE CE2 528 2.244 1.324 -0.074 + 34PHE HE2 529 2.293 1.286 0.004 + 34PHE CD2 530 2.227 1.463 -0.085 + 34PHE HD2 531 2.260 1.523 -0.012 + 34PHE C 532 2.235 1.851 -0.384 + 34PHE O 533 2.150 1.869 -0.476 + 35GLU N 534 2.325 1.941 -0.345 + 35GLU H 535 2.397 1.917 -0.280 + 35GLU CA 536 2.318 2.079 -0.400 + 35GLU HA 537 2.218 2.090 -0.400 + 35GLU CB 538 2.370 2.189 -0.311 + 35GLU HB1 539 2.369 2.273 -0.365 + 35GLU HB2 540 2.464 2.165 -0.287 + 35GLU CG 541 2.299 2.221 -0.181 + 35GLU HG1 542 2.359 2.283 -0.130 + 35GLU HG2 543 2.290 2.135 -0.131 + 35GLU CD 544 2.163 2.285 -0.186 + 35GLU OE1 545 2.141 2.336 -0.298 + 35GLU OE2 546 2.095 2.303 -0.087 + 35GLU C 547 2.366 2.094 -0.542 + 35GLU O 548 2.301 2.151 -0.631 + 36SER N 549 2.487 2.048 -0.567 + 36SER H 550 2.531 1.998 -0.493 + 36SER CA 551 2.563 2.062 -0.690 + 36SER HA 552 2.492 2.098 -0.750 + 36SER CB 553 2.683 2.153 -0.665 + 36SER HB1 554 2.654 2.240 -0.626 + 36SER HB2 555 2.732 2.170 -0.751 + 36SER OG 556 2.775 2.095 -0.575 + 36SER HG 557 2.852 2.157 -0.561 + 36SER C 558 2.614 1.934 -0.757 + 36SER O 559 2.675 1.946 -0.864 + 37ASN N 560 2.596 1.822 -0.693 + 37ASN H 561 2.533 1.822 -0.615 + 37ASN CA 562 2.663 1.697 -0.730 + 37ASN HA 563 2.644 1.629 -0.658 + 37ASN CB 564 2.603 1.649 -0.862 + 37ASN HB1 565 2.651 1.694 -0.937 + 37ASN HB2 566 2.506 1.674 -0.864 + 37ASN CG 567 2.616 1.498 -0.878 + 37ASN OD1 568 2.664 1.427 -0.789 + 37ASN ND2 569 2.587 1.451 -0.999 + 37ASN HD21 570 2.559 1.513 -1.072 + 37ASN HD22 571 2.593 1.352 -1.017 + 37ASN C 572 2.815 1.709 -0.730 + 37ASN O 573 2.881 1.663 -0.825 + 38PHE N 574 2.869 1.788 -0.638 + 38PHE H 575 2.809 1.834 -0.573 + 38PHE CA 576 3.013 1.811 -0.628 + 38PHE HA 577 3.018 1.869 -0.546 + 38PHE CB 578 3.091 1.682 -0.605 + 38PHE HB1 579 3.188 1.706 -0.592 + 38PHE HB2 580 3.082 1.625 -0.686 + 38PHE CG 581 3.049 1.601 -0.486 + 38PHE CD1 582 3.010 1.657 -0.366 + 38PHE HD1 583 3.006 1.757 -0.358 + 38PHE CE1 584 2.977 1.581 -0.256 + 38PHE HE1 585 2.948 1.625 -0.171 + 38PHE CZ 586 2.984 1.441 -0.265 + 38PHE HZ 587 2.967 1.384 -0.184 + 38PHE CE2 588 3.014 1.381 -0.389 + 38PHE HE2 589 3.008 1.282 -0.399 + 38PHE CD2 590 3.051 1.460 -0.499 + 38PHE HD2 591 3.078 1.418 -0.585 + 38PHE C 592 3.072 1.890 -0.745 + 38PHE O 593 3.192 1.879 -0.770 + 39ASN N 594 2.994 1.979 -0.803 + 39ASN H 595 2.902 1.994 -0.766 + 39ASN CA 596 3.034 2.057 -0.920 + 39ASN HA 597 3.124 2.025 -0.950 + 39ASN CB 598 2.941 2.030 -1.037 + 39ASN HB1 599 2.853 2.075 -1.018 + 39ASN HB2 600 2.926 1.931 -1.042 + 39ASN CG 601 2.988 2.077 -1.172 + 39ASN OD1 602 3.058 2.175 -1.196 + 39ASN ND2 603 2.958 1.986 -1.265 + 39ASN HD21 604 2.911 1.902 -1.240 + 39ASN HD22 605 2.983 2.003 -1.361 + 39ASN C 606 3.054 2.203 -0.882 + 39ASN O 607 2.954 2.265 -0.842 + 40THR N 608 3.177 2.249 -0.893 + 40THR H 609 3.248 2.186 -0.921 + 40THR CA 610 3.214 2.387 -0.866 + 40THR HA 611 3.166 2.398 -0.779 + 40THR CB 612 3.368 2.410 -0.842 + 40THR HB 613 3.385 2.496 -0.794 + 40THR CG2 614 3.441 2.312 -0.749 + 40THR HG21 615 3.538 2.337 -0.743 + 40THR HG22 616 3.400 2.315 -0.658 + 40THR HG23 617 3.434 2.219 -0.786 + 40THR OG1 618 3.427 2.416 -0.978 + 40THR HG1 619 3.526 2.430 -0.971 + 40THR C 620 3.150 2.489 -0.959 + 40THR O 621 3.132 2.605 -0.921 + 41GLN N 622 3.100 2.443 -1.071 + 41GLN H 623 3.093 2.344 -1.082 + 41GLN CA 624 3.052 2.529 -1.181 + 41GLN HA 625 3.091 2.619 -1.159 + 41GLN CB 626 3.105 2.482 -1.317 + 41GLN HB1 627 3.060 2.534 -1.389 + 41GLN HB2 628 3.083 2.385 -1.328 + 41GLN CG 629 3.255 2.500 -1.328 + 41GLN HG1 630 3.297 2.421 -1.372 + 41GLN HG2 631 3.295 2.514 -1.237 + 41GLN CD 632 3.276 2.624 -1.413 + 41GLN OE1 633 3.236 2.631 -1.529 + 41GLN NE2 634 3.328 2.723 -1.342 + 41GLN HE21 635 3.347 2.710 -1.245 + 41GLN HE22 636 3.347 2.811 -1.386 + 41GLN C 637 2.899 2.538 -1.187 + 41GLN O 638 2.850 2.602 -1.284 + 42ALA N 639 2.833 2.464 -1.101 + 42ALA H 640 2.883 2.412 -1.032 + 42ALA CA 641 2.686 2.458 -1.106 + 42ALA HA 642 2.661 2.426 -1.198 + 42ALA CB 643 2.635 2.360 -1.000 + 42ALA HB1 644 2.536 2.356 -1.003 + 42ALA HB2 645 2.673 2.269 -1.017 + 42ALA HB3 646 2.665 2.392 -0.909 + 42ALA C 647 2.626 2.597 -1.081 + 42ALA O 648 2.664 2.669 -0.988 + 43THR N 649 2.528 2.629 -1.164 + 43THR H 650 2.510 2.569 -1.242 + 43THR CA 651 2.444 2.749 -1.148 + 43THR HA 652 2.463 2.774 -1.052 + 43THR CB 653 2.481 2.873 -1.237 + 43THR HB 654 2.426 2.953 -1.217 + 43THR CG2 655 2.625 2.921 -1.218 + 43THR HG21 656 2.642 3.000 -1.278 + 43THR HG22 657 2.638 2.948 -1.123 + 43THR HG23 658 2.688 2.848 -1.241 + 43THR OG1 659 2.455 2.832 -1.376 + 43THR HG1 660 2.478 2.908 -1.437 + 43THR C 661 2.298 2.711 -1.171 + 43THR O 662 2.272 2.627 -1.259 + 44ASN N 663 2.209 2.774 -1.097 + 44ASN H 664 2.241 2.841 -1.029 + 44ASN CA 665 2.064 2.750 -1.111 + 44ASN HA 666 2.048 2.710 -1.201 + 44ASN CB 667 2.016 2.648 -1.008 + 44ASN HB1 668 2.042 2.679 -0.917 + 44ASN HB2 669 2.058 2.560 -1.027 + 44ASN CG 670 1.865 2.632 -1.012 + 44ASN OD1 671 1.813 2.572 -1.108 + 44ASN ND2 672 1.791 2.693 -0.919 + 44ASN HD21 673 1.835 2.748 -0.848 + 44ASN HD22 674 1.691 2.683 -0.920 + 44ASN C 675 1.990 2.884 -1.096 + 44ASN O 676 2.017 2.960 -1.003 + 45ARG N 677 1.906 2.912 -1.192 + 45ARG H 678 1.892 2.843 -1.264 + 45ARG CA 679 1.830 3.036 -1.202 + 45ARG HA 680 1.884 3.106 -1.154 + 45ARG CB 681 1.814 3.084 -1.346 + 45ARG HB1 682 1.793 3.005 -1.405 + 45ARG HB2 683 1.900 3.126 -1.377 + 45ARG CG 684 1.701 3.186 -1.356 + 45ARG HG1 685 1.621 3.153 -1.307 + 45ARG HG2 686 1.677 3.202 -1.451 + 45ARG CD 687 1.750 3.313 -1.293 + 45ARG HD1 688 1.806 3.295 -1.212 + 45ARG HD2 689 1.674 3.373 -1.268 + 45ARG NE 690 1.831 3.376 -1.398 + 45ARG HE 691 1.931 3.380 -1.393 + 45ARG CZ 692 1.762 3.427 -1.502 + 45ARG NH1 693 1.629 3.433 -1.510 + 45ARG HH11 694 1.573 3.398 -1.435 + 45ARG HH12 695 1.585 3.473 -1.591 + 45ARG NH2 696 1.837 3.470 -1.603 + 45ARG HH21 697 1.937 3.462 -1.598 + 45ARG HH22 698 1.794 3.509 -1.684 + 45ARG C 699 1.696 3.016 -1.133 + 45ARG O 700 1.640 2.906 -1.143 + 46ASN N 701 1.655 3.117 -1.055 + 46ASN H 702 1.710 3.200 -1.050 + 46ASN CA 703 1.530 3.107 -0.978 + 46ASN HA 704 1.495 3.015 -0.992 + 46ASN CB 705 1.558 3.123 -0.830 + 46ASN HB1 706 1.470 3.114 -0.781 + 46ASN HB2 707 1.595 3.215 -0.815 + 46ASN CG 708 1.654 3.024 -0.768 + 46ASN OD1 709 1.766 3.066 -0.735 + 46ASN ND2 710 1.612 2.898 -0.760 + 46ASN HD21 711 1.522 2.873 -0.794 + 46ASN HD22 712 1.672 2.828 -0.720 + 46ASN C 713 1.426 3.206 -1.031 + 46ASN O 714 1.462 3.310 -1.088 + 47THR N 715 1.303 3.183 -0.989 + 47THR H 716 1.288 3.105 -0.928 + 47THR CA 717 1.187 3.265 -1.025 + 47THR HA 718 1.194 3.266 -1.124 + 47THR CB 719 1.050 3.202 -0.979 + 47THR HB 720 0.969 3.245 -1.018 + 47THR CG2 721 1.033 3.055 -1.019 + 47THR HG21 722 0.944 3.022 -0.987 + 47THR HG22 723 1.038 3.047 -1.118 + 47THR HG23 724 1.106 3.001 -0.977 + 47THR OG1 725 1.051 3.220 -0.834 + 47THR HG1 726 0.967 3.182 -0.796 + 47THR C 727 1.200 3.411 -0.981 + 47THR O 728 1.160 3.497 -1.061 + 48ASP N 729 1.263 3.438 -0.868 + 48ASP H 730 1.295 3.360 -0.814 + 48ASP CA 731 1.288 3.572 -0.817 + 48ASP HA 732 1.204 3.616 -0.847 + 48ASP CB 733 1.302 3.573 -0.664 + 48ASP HB1 734 1.229 3.518 -0.624 + 48ASP HB2 735 1.294 3.668 -0.632 + 48ASP CG 736 1.437 3.517 -0.617 + 48ASP OD1 737 1.510 3.460 -0.699 + 48ASP OD2 738 1.475 3.544 -0.501 + 48ASP C 739 1.401 3.651 -0.882 + 48ASP O 740 1.425 3.762 -0.831 + 49GLY N 741 1.465 3.602 -0.986 + 49GLY H 742 1.437 3.512 -1.021 + 49GLY CA 743 1.574 3.670 -1.055 + 49GLY HA1 744 1.561 3.768 -1.039 + 49GLY HA2 745 1.565 3.650 -1.152 + 49GLY C 746 1.715 3.632 -1.010 + 49GLY O 747 1.817 3.669 -1.069 + 50SER N 748 1.717 3.566 -0.893 + 50SER H 749 1.631 3.546 -0.848 + 50SER CA 750 1.844 3.523 -0.828 + 50SER HA 751 1.910 3.595 -0.842 + 50SER CB 752 1.827 3.509 -0.678 + 50SER HB1 753 1.778 3.588 -0.641 + 50SER HB2 754 1.916 3.501 -0.634 + 50SER OG 755 1.753 3.393 -0.646 + 50SER HG 756 1.743 3.386 -0.547 + 50SER C 757 1.898 3.396 -0.894 + 50SER O 758 1.827 3.326 -0.970 + 51THR N 759 2.027 3.377 -0.873 + 51THR H 760 2.079 3.446 -0.824 + 51THR CA 761 2.097 3.256 -0.920 + 51THR HA 762 2.029 3.189 -0.951 + 51THR CB 763 2.190 3.291 -1.042 + 51THR HB 764 2.262 3.357 -1.019 + 51THR CG2 765 2.269 3.170 -1.095 + 51THR HG21 766 2.326 3.198 -1.172 + 51THR HG22 767 2.326 3.133 -1.022 + 51THR HG23 768 2.204 3.100 -1.126 + 51THR OG1 769 2.110 3.358 -1.141 + 51THR HG1 770 2.167 3.381 -1.220 + 51THR C 771 2.172 3.197 -0.800 + 51THR O 772 2.216 3.271 -0.712 + 52ASP N 773 2.171 3.065 -0.793 + 52ASP H 774 2.112 3.014 -0.855 + 52ASP CA 775 2.253 2.990 -0.696 + 52ASP HA 776 2.270 3.048 -0.617 + 52ASP CB 777 2.177 2.865 -0.655 + 52ASP HB1 778 2.229 2.816 -0.585 + 52ASP HB2 779 2.165 2.806 -0.735 + 52ASP CG 780 2.040 2.899 -0.600 + 52ASP OD1 781 2.022 2.993 -0.524 + 52ASP OD2 782 1.952 2.814 -0.622 + 52ASP C 783 2.384 2.949 -0.763 + 52ASP O 784 2.385 2.907 -0.881 + 53TYR N 785 2.492 2.973 -0.691 + 53TYR H 786 2.481 3.002 -0.595 + 53TYR CA 787 2.628 2.960 -0.745 + 53TYR HA 788 2.610 2.925 -0.837 + 53TYR CB 789 2.699 3.097 -0.749 + 53TYR HB1 790 2.795 3.082 -0.772 + 53TYR HB2 791 2.693 3.139 -0.658 + 53TYR CG 792 2.644 3.196 -0.849 + 53TYR CD1 793 2.684 3.200 -0.982 + 53TYR HD1 794 2.754 3.136 -1.014 + 53TYR CE1 795 2.629 3.292 -1.072 + 53TYR HE1 796 2.656 3.292 -1.168 + 53TYR CZ 797 2.536 3.385 -1.025 + 53TYR OH 798 2.486 3.480 -1.109 + 53TYR HH 799 2.421 3.538 -1.060 + 53TYR CE2 800 2.491 3.380 -0.893 + 53TYR HE2 801 2.417 3.440 -0.862 + 53TYR CD2 802 2.551 3.291 -0.805 + 53TYR HD2 803 2.527 3.294 -0.708 + 53TYR C 804 2.716 2.859 -0.671 + 53TYR O 805 2.729 2.861 -0.549 + 54GLY N 806 2.775 2.772 -0.749 + 54GLY H 807 2.742 2.766 -0.843 + 54GLY CA 808 2.885 2.683 -0.712 + 54GLY HA1 809 2.950 2.739 -0.661 + 54GLY HA2 810 2.927 2.653 -0.798 + 54GLY C 811 2.850 2.560 -0.629 + 54GLY O 812 2.734 2.516 -0.626 + 55ILE N 813 2.956 2.509 -0.568 + 55ILE H 814 3.043 2.558 -0.570 + 55ILE CA 815 2.945 2.379 -0.499 + 55ILE HA 816 2.905 2.318 -0.567 + 55ILE CB 817 3.089 2.334 -0.456 + 55ILE HB 818 3.161 2.348 -0.524 + 55ILE CG2 819 3.140 2.421 -0.339 + 55ILE HG21 820 3.231 2.391 -0.312 + 55ILE HG22 821 3.143 2.517 -0.367 + 55ILE HG23 822 3.078 2.411 -0.261 + 55ILE CG1 823 3.079 2.181 -0.432 + 55ILE HG11 824 3.019 2.143 -0.503 + 55ILE HG12 825 3.036 2.167 -0.342 + 55ILE CD 826 3.210 2.102 -0.434 + 55ILE HD1 827 3.191 2.005 -0.417 + 55ILE HD2 828 3.254 2.112 -0.523 + 55ILE HD3 829 3.271 2.137 -0.363 + 55ILE C 830 2.842 2.375 -0.387 + 55ILE O 831 2.777 2.270 -0.369 + 56LEU N 832 2.822 2.488 -0.324 + 56LEU H 833 2.878 2.568 -0.346 + 56LEU CA 834 2.717 2.500 -0.220 + 56LEU HA 835 2.678 2.409 -0.207 + 56LEU CB 836 2.782 2.542 -0.088 + 56LEU HB1 837 2.708 2.567 -0.024 + 56LEU HB2 838 2.839 2.623 -0.105 + 56LEU CG 839 2.869 2.435 -0.020 + 56LEU HG 840 2.941 2.399 -0.080 + 56LEU CD1 841 2.933 2.500 0.101 + 56LEU HD11 842 2.991 2.433 0.148 + 56LEU HD12 843 2.989 2.577 0.072 + 56LEU HD13 844 2.862 2.531 0.163 + 56LEU CD2 845 2.781 2.318 0.019 + 56LEU HD21 846 2.837 2.247 0.063 + 56LEU HD22 847 2.711 2.349 0.083 + 56LEU HD23 848 2.737 2.280 -0.062 + 56LEU C 849 2.598 2.584 -0.266 + 56LEU O 850 2.516 2.611 -0.177 + 57GLN N 851 2.586 2.610 -0.395 + 57GLN H 852 2.660 2.584 -0.457 + 57GLN CA 853 2.467 2.678 -0.447 + 57GLN HA 854 2.490 2.715 -0.537 + 57GLN CB 855 2.352 2.576 -0.455 + 57GLN HB1 856 2.266 2.625 -0.469 + 57GLN HB2 857 2.348 2.525 -0.369 + 57GLN CG 858 2.373 2.479 -0.570 + 57GLN HG1 859 2.302 2.409 -0.566 + 57GLN HG2 860 2.463 2.436 -0.559 + 57GLN CD 861 2.368 2.544 -0.707 + 57GLN OE1 862 2.257 2.560 -0.759 + 57GLN NE2 863 2.481 2.580 -0.765 + 57GLN HE21 864 2.569 2.565 -0.719 + 57GLN HE22 865 2.479 2.623 -0.855 + 57GLN C 866 2.428 2.794 -0.356 + 57GLN O 867 2.312 2.803 -0.309 + 58ILE N 868 2.516 2.891 -0.343 + 58ILE H 869 2.605 2.881 -0.389 + 58ILE CA 870 2.493 3.012 -0.265 + 58ILE HA 871 2.433 2.986 -0.189 + 58ILE CB 872 2.630 3.066 -0.213 + 58ILE HB 873 2.700 3.068 -0.285 + 58ILE CG2 874 2.618 3.214 -0.169 + 58ILE HG21 875 2.707 3.246 -0.137 + 58ILE HG22 876 2.588 3.269 -0.247 + 58ILE HG23 877 2.551 3.221 -0.096 + 58ILE CG1 878 2.675 2.972 -0.098 + 58ILE HG11 879 2.662 2.877 -0.127 + 58ILE HG12 880 2.620 2.991 -0.017 + 58ILE CD 881 2.825 2.995 -0.064 + 58ILE HD1 882 2.852 2.934 0.010 + 58ILE HD2 883 2.881 2.977 -0.145 + 58ILE HD3 884 2.838 3.090 -0.035 + 58ILE C 885 2.420 3.116 -0.350 + 58ILE O 886 2.455 3.141 -0.467 + 59ASN N 887 2.315 3.167 -0.290 + 59ASN H 888 2.301 3.148 -0.193 + 59ASN CA 889 2.215 3.251 -0.359 + 59ASN HA 890 2.210 3.219 -0.454 + 59ASN CB 891 2.080 3.231 -0.288 + 59ASN HB1 892 2.087 3.268 -0.196 + 59ASN HB2 893 2.061 3.133 -0.284 + 59ASN CG 894 1.965 3.299 -0.359 + 59ASN OD1 895 1.946 3.417 -0.324 + 59ASN ND2 896 1.916 3.232 -0.461 + 59ASN HD21 897 1.954 3.144 -0.487 + 59ASN HD22 898 1.839 3.270 -0.513 + 59ASN C 899 2.255 3.397 -0.373 + 59ASN O 900 2.292 3.461 -0.274 + 60SER N 901 2.227 3.448 -0.494 + 60SER H 902 2.185 3.390 -0.564 + 60SER CA 903 2.257 3.591 -0.525 + 60SER HA 904 2.346 3.600 -0.480 + 60SER CB 905 2.264 3.614 -0.675 + 60SER HB1 906 2.327 3.548 -0.716 + 60SER HB2 907 2.297 3.707 -0.693 + 60SER OG 908 2.143 3.601 -0.744 + 60SER HG 909 2.159 3.618 -0.842 + 60SER C 910 2.169 3.699 -0.464 + 60SER O 911 2.205 3.818 -0.477 + 61ARG N 912 2.053 3.666 -0.414 + 61ARG H 913 2.020 3.572 -0.423 + 61ARG CA 914 1.969 3.765 -0.343 + 61ARG HA 915 1.969 3.843 -0.406 + 61ARG CB 916 1.827 3.720 -0.325 + 61ARG HB1 917 1.824 3.655 -0.249 + 61ARG HB2 918 1.797 3.673 -0.409 + 61ARG CG 919 1.732 3.835 -0.296 + 61ARG HG1 920 1.714 3.889 -0.378 + 61ARG HG2 921 1.767 3.894 -0.224 + 61ARG CD 922 1.606 3.766 -0.250 + 61ARG HD1 923 1.627 3.704 -0.174 + 61ARG HD2 924 1.566 3.713 -0.326 + 61ARG NE 925 1.510 3.865 -0.206 + 61ARG HE 926 1.541 3.955 -0.173 + 61ARG CZ 927 1.379 3.835 -0.211 + 61ARG NH1 928 1.344 3.726 -0.278 + 61ARG HH11 929 1.414 3.670 -0.323 + 61ARG HH12 930 1.248 3.700 -0.284 + 61ARG NH2 931 1.293 3.925 -0.165 + 61ARG HH21 932 1.325 4.012 -0.128 + 61ARG HH22 933 1.194 3.905 -0.167 + 61ARG C 934 2.028 3.811 -0.211 + 61ARG O 935 2.028 3.933 -0.188 + 62TRP N 936 2.077 3.720 -0.127 + 62TRP H 937 2.077 3.624 -0.155 + 62TRP CA 938 2.132 3.756 0.003 + 62TRP HA 939 2.095 3.849 0.013 + 62TRP CB 940 2.083 3.661 0.113 + 62TRP HB1 941 2.105 3.700 0.203 + 62TRP HB2 942 2.130 3.573 0.103 + 62TRP CG 943 1.936 3.636 0.110 + 62TRP CD1 944 1.872 3.525 0.064 + 62TRP HD1 945 1.917 3.440 0.037 + 62TRP NE1 946 1.736 3.546 0.061 + 62TRP HE1 947 1.668 3.480 0.028 + 62TRP CE2 948 1.709 3.670 0.110 + 62TRP CZ2 949 1.587 3.733 0.131 + 62TRP HZ2 950 1.501 3.687 0.110 + 62TRP CH2 951 1.591 3.861 0.181 + 62TRP HH2 952 1.505 3.912 0.192 + 62TRP CZ3 953 1.712 3.921 0.219 + 62TRP HZ3 954 1.710 4.011 0.262 + 62TRP CE3 955 1.833 3.858 0.197 + 62TRP HE3 956 1.919 3.904 0.219 + 62TRP CD2 957 1.833 3.730 0.143 + 62TRP C 958 2.285 3.764 0.010 + 62TRP O 959 2.332 3.840 0.097 + 63TRP N 960 2.354 3.673 -0.058 + 63TRP H 961 2.309 3.626 -0.134 + 63TRP CA 962 2.491 3.640 -0.028 + 63TRP HA 963 2.493 3.706 0.047 + 63TRP CB 964 2.507 3.492 0.011 + 63TRP HB1 965 2.596 3.479 0.054 + 63TRP HB2 966 2.501 3.436 -0.071 + 63TRP CG 967 2.404 3.443 0.107 + 63TRP CD1 968 2.296 3.362 0.078 + 63TRP HD1 969 2.273 3.328 -0.014 + 63TRP NE1 970 2.224 3.334 0.190 + 63TRP HE1 971 2.147 3.272 0.196 + 63TRP CE2 972 2.276 3.407 0.293 + 63TRP CZ2 973 2.239 3.413 0.428 + 63TRP HZ2 974 2.159 3.364 0.462 + 63TRP CH2 975 2.318 3.491 0.512 + 63TRP HH2 976 2.293 3.499 0.608 + 63TRP CZ3 977 2.430 3.559 0.465 + 63TRP HZ3 978 2.483 3.616 0.528 + 63TRP CE3 979 2.469 3.548 0.332 + 63TRP HE3 980 2.552 3.594 0.300 + 63TRP CD2 981 2.392 3.473 0.245 + 63TRP C 982 2.609 3.692 -0.105 + 63TRP O 983 2.714 3.718 -0.043 + 64CYS N 984 2.596 3.691 -0.235 + 64CYS H 985 2.512 3.653 -0.274 + 64CYS CA 986 2.698 3.743 -0.327 + 64CYS HA 987 2.766 3.794 -0.274 + 64CYS CB 988 2.764 3.626 -0.399 + 64CYS HB1 989 2.805 3.574 -0.325 + 64CYS HB2 990 2.836 3.670 -0.453 + 64CYS SG 991 2.656 3.523 -0.501 + 64CYS C 992 2.632 3.836 -0.429 + 64CYS O 993 2.510 3.831 -0.447 + 65ASN N 994 2.716 3.917 -0.491 + 65ASN H 995 2.813 3.912 -0.469 + 65ASN CA 996 2.670 4.013 -0.592 + 65ASN HA 997 2.571 4.020 -0.578 + 65ASN CB 998 2.738 4.149 -0.571 + 65ASN HB1 999 2.837 4.139 -0.576 + 65ASN HB2 1000 2.713 4.187 -0.482 + 65ASN CG 1001 2.691 4.242 -0.682 + 65ASN OD1 1002 2.574 4.256 -0.714 + 65ASN ND2 1003 2.791 4.294 -0.753 + 65ASN HD21 1004 2.886 4.270 -0.730 + 65ASN HD22 1005 2.773 4.356 -0.828 + 65ASN C 1006 2.698 3.965 -0.734 + 65ASN O 1007 2.813 3.932 -0.765 + 66ASP N 1008 2.592 3.948 -0.812 + 66ASP H 1009 2.500 3.957 -0.773 + 66ASP CA 1010 2.610 3.918 -0.955 + 66ASP HA 1011 2.709 3.909 -0.967 + 66ASP CB 1012 2.546 3.786 -0.989 + 66ASP HB1 1013 2.579 3.717 -0.925 + 66ASP HB2 1014 2.574 3.761 -1.082 + 66ASP CG 1015 2.395 3.790 -0.983 + 66ASP OD1 1016 2.329 3.890 -0.954 + 66ASP OD2 1017 2.345 3.677 -1.005 + 66ASP C 1018 2.566 4.032 -1.046 + 66ASP O 1019 2.572 4.014 -1.167 + 67GLY N 1020 2.523 4.141 -0.986 + 67GLY H 1021 2.519 4.141 -0.886 + 67GLY CA 1022 2.482 4.261 -1.058 + 67GLY HA1 1023 2.557 4.284 -1.119 + 67GLY HA2 1024 2.471 4.332 -0.989 + 67GLY C 1025 2.354 4.255 -1.140 + 67GLY O 1026 2.319 4.354 -1.206 + 68ARG N 1027 2.282 4.144 -1.135 + 68ARG H 1028 2.314 4.068 -1.079 + 68ARG CA 1029 2.156 4.131 -1.209 + 68ARG HA 1030 2.133 4.225 -1.235 + 68ARG CB 1031 2.175 4.045 -1.334 + 68ARG HB1 1032 2.244 4.087 -1.393 + 68ARG HB2 1033 2.088 4.040 -1.383 + 68ARG CG 1034 2.220 3.905 -1.295 + 68ARG HG1 1035 2.148 3.861 -1.241 + 68ARG HG2 1036 2.303 3.911 -1.240 + 68ARG CD 1037 2.248 3.819 -1.412 + 68ARG HD1 1038 2.335 3.771 -1.400 + 68ARG HD2 1039 2.252 3.875 -1.495 + 68ARG NE 1040 2.144 3.720 -1.428 + 68ARG HE 1041 2.166 3.631 -1.389 + 68ARG CZ 1042 2.024 3.726 -1.485 + 68ARG NH1 1043 1.950 3.831 -1.515 + 68ARG HH11 1044 1.984 3.923 -1.493 + 68ARG HH12 1045 1.861 3.819 -1.558 + 68ARG NH2 1046 1.990 3.613 -1.550 + 68ARG HH21 1047 2.052 3.535 -1.551 + 68ARG HH22 1048 1.901 3.607 -1.596 + 68ARG C 1049 2.042 4.076 -1.124 + 68ARG O 1050 1.939 4.038 -1.179 + 69THR N 1051 2.059 4.090 -0.995 + 69THR H 1052 2.142 4.135 -0.962 + 69THR CA 1053 1.961 4.041 -0.897 + 69THR HA 1054 1.893 3.995 -0.955 + 69THR CB 1055 2.021 3.938 -0.791 + 69THR HB 1056 2.091 3.975 -0.730 + 69THR CG2 1057 1.912 3.886 -0.696 + 69THR HG21 1058 1.953 3.822 -0.630 + 69THR HG22 1059 1.872 3.963 -0.646 + 69THR HG23 1060 1.841 3.839 -0.748 + 69THR OG1 1061 2.085 3.833 -0.872 + 69THR HG1 1062 2.125 3.765 -0.811 + 69THR C 1063 1.899 4.160 -0.822 + 69THR O 1064 1.968 4.224 -0.743 + 70PRO N 1065 1.769 4.174 -0.842 + 70PRO CD 1066 1.689 4.109 -0.946 + 70PRO HD1 1067 1.655 4.021 -0.915 + 70PRO HD2 1068 1.743 4.097 -1.029 + 70PRO CG 1069 1.576 4.209 -0.967 + 70PRO HG1 1070 1.492 4.162 -0.996 + 70PRO HG2 1071 1.601 4.277 -1.036 + 70PRO CB 1072 1.556 4.275 -0.833 + 70PRO HB1 1073 1.495 4.220 -0.776 + 70PRO HB2 1074 1.517 4.366 -0.845 + 70PRO CA 1075 1.695 4.282 -0.773 + 70PRO HA 1076 1.736 4.373 -0.786 + 70PRO C 1077 1.696 4.252 -0.624 + 70PRO O 1078 1.674 4.136 -0.589 + 71GLY N 1079 1.716 4.349 -0.540 + 71GLY H 1080 1.736 4.439 -0.579 + 71GLY CA 1081 1.714 4.338 -0.395 + 71GLY HA1 1082 1.631 4.287 -0.372 + 71GLY HA2 1083 1.706 4.431 -0.359 + 71GLY C 1084 1.833 4.271 -0.329 + 71GLY O 1085 1.826 4.226 -0.213 + 72SER N 1086 1.942 4.263 -0.402 + 72SER H 1087 1.940 4.304 -0.493 + 72SER CA 1088 2.066 4.198 -0.359 + 72SER HA 1089 2.050 4.101 -0.339 + 72SER CB 1090 2.166 4.200 -0.474 + 72SER HB1 1091 2.160 4.288 -0.521 + 72SER HB2 1092 2.145 4.126 -0.538 + 72SER OG 1093 2.302 4.183 -0.434 + 72SER HG 1094 2.360 4.186 -0.515 + 72SER C 1095 2.114 4.258 -0.228 + 72SER O 1096 2.105 4.382 -0.213 + 73ARG N 1097 2.165 4.177 -0.137 + 73ARG H 1098 2.161 4.079 -0.156 + 73ARG CA 1099 2.225 4.220 -0.011 + 73ARG HA 1100 2.203 4.317 -0.021 + 73ARG CB 1101 2.161 4.155 0.113 + 73ARG HB1 1102 2.218 4.178 0.192 + 73ARG HB2 1103 2.161 4.056 0.100 + 73ARG CG 1104 2.019 4.198 0.144 + 73ARG HG1 1105 1.975 4.131 0.204 + 73ARG HG2 1106 1.966 4.207 0.059 + 73ARG CD 1107 2.021 4.330 0.212 + 73ARG HD1 1108 2.055 4.398 0.148 + 73ARG HD2 1109 2.083 4.324 0.291 + 73ARG NE 1110 1.893 4.377 0.262 + 73ARG HE 1111 1.874 4.370 0.360 + 73ARG CZ 1112 1.798 4.430 0.182 + 73ARG NH1 1113 1.784 4.393 0.054 + 73ARG HH11 1114 1.845 4.325 0.015 + 73ARG HH12 1115 1.713 4.435 -0.002 + 73ARG NH2 1116 1.757 4.555 0.215 + 73ARG HH21 1117 1.797 4.601 0.293 + 73ARG HH22 1118 1.687 4.600 0.160 + 73ARG C 1119 2.377 4.206 0.003 + 73ARG O 1120 2.443 4.275 0.085 + 74ASN N 1121 2.435 4.114 -0.071 + 74ASN H 1122 2.376 4.061 -0.132 + 74ASN CA 1123 2.578 4.083 -0.069 + 74ASN HA 1124 2.587 3.993 -0.111 + 74ASN CB 1125 2.657 4.179 -0.159 + 74ASN HB1 1126 2.662 4.267 -0.113 + 74ASN HB2 1127 2.607 4.189 -0.245 + 74ASN CG 1128 2.798 4.133 -0.191 + 74ASN OD1 1129 2.832 4.017 -0.165 + 74ASN ND2 1130 2.884 4.219 -0.244 + 74ASN HD21 1131 2.855 4.313 -0.262 + 74ASN HD22 1132 2.977 4.190 -0.265 + 74ASN C 1133 2.632 4.072 0.073 + 74ASN O 1134 2.726 4.147 0.106 + 75LEU N 1135 2.572 3.986 0.154 + 75LEU H 1136 2.496 3.931 0.120 + 75LEU CA 1137 2.615 3.969 0.293 + 75LEU HA 1138 2.632 4.061 0.328 + 75LEU CB 1139 2.501 3.905 0.373 + 75LEU HB1 1140 2.537 3.877 0.462 + 75LEU HB2 1141 2.468 3.825 0.323 + 75LEU CG 1142 2.382 4.000 0.398 + 75LEU HG 1143 2.362 4.052 0.315 + 75LEU CD1 1144 2.257 3.919 0.434 + 75LEU HD11 1145 2.181 3.982 0.449 + 75LEU HD12 1146 2.235 3.857 0.358 + 75LEU HD13 1147 2.275 3.866 0.517 + 75LEU CD2 1148 2.416 4.097 0.511 + 75LEU HD21 1149 2.338 4.158 0.527 + 75LEU HD22 1150 2.435 4.045 0.594 + 75LEU HD23 1151 2.496 4.151 0.486 + 75LEU C 1152 2.752 3.901 0.308 + 75LEU O 1153 2.817 3.920 0.414 + 76CYS N 1154 2.797 3.831 0.206 + 76CYS H 1155 2.741 3.821 0.124 + 76CYS CA 1156 2.930 3.768 0.211 + 76CYS HA 1157 2.941 3.754 0.309 + 76CYS CB 1158 2.940 3.630 0.148 + 76CYS HB1 1159 3.038 3.615 0.139 + 76CYS HB2 1160 2.900 3.643 0.057 + 76CYS SG 1161 2.859 3.496 0.236 + 76CYS C 1162 3.039 3.860 0.159 + 76CYS O 1163 3.157 3.823 0.157 + 77ASN N 1164 2.996 3.968 0.097 + 77ASN H 1165 2.898 3.980 0.089 + 77ASN CA 1166 3.083 4.073 0.040 + 77ASN HA 1167 3.022 4.138 -0.005 + 77ASN CB 1168 3.159 4.149 0.148 + 77ASN HB1 1169 3.236 4.093 0.180 + 77ASN HB2 1170 3.097 4.167 0.225 + 77ASN CG 1171 3.213 4.281 0.096 + 77ASN OD1 1172 3.135 4.359 0.040 + 77ASN ND2 1173 3.343 4.301 0.105 + 77ASN HD21 1174 3.402 4.231 0.145 + 77ASN HD22 1175 3.383 4.387 0.071 + 77ASN C 1176 3.171 4.016 -0.070 + 77ASN O 1177 3.295 4.033 -0.069 + 78ILE N 1178 3.115 3.941 -0.162 + 78ILE H 1179 3.016 3.925 -0.157 + 78ILE CA 1180 3.190 3.878 -0.271 + 78ILE HA 1181 3.274 3.932 -0.280 + 78ILE CB 1182 3.218 3.726 -0.238 + 78ILE HB 1183 3.244 3.675 -0.321 + 78ILE CG2 1184 3.344 3.700 -0.152 + 78ILE HG21 1185 3.354 3.602 -0.136 + 78ILE HG22 1186 3.424 3.735 -0.200 + 78ILE HG23 1187 3.334 3.748 -0.065 + 78ILE CG1 1188 3.088 3.664 -0.185 + 78ILE HG11 1189 3.017 3.679 -0.254 + 78ILE HG12 1190 3.064 3.712 -0.101 + 78ILE CD 1191 3.094 3.512 -0.155 + 78ILE HD1 1192 3.005 3.482 -0.121 + 78ILE HD2 1193 3.116 3.462 -0.238 + 78ILE HD3 1194 3.164 3.494 -0.085 + 78ILE C 1195 3.110 3.885 -0.401 + 78ILE O 1196 2.986 3.869 -0.397 + 79PRO N 1197 3.183 3.879 -0.511 + 79PRO CD 1198 3.328 3.902 -0.521 + 79PRO HD1 1199 3.377 3.829 -0.476 + 79PRO HD2 1200 3.352 3.990 -0.480 + 79PRO CG 1201 3.355 3.903 -0.671 + 79PRO HG1 1202 3.411 3.824 -0.696 + 79PRO HG2 1203 3.404 3.987 -0.696 + 79PRO CB 1204 3.226 3.897 -0.744 + 79PRO HB1 1205 3.230 3.826 -0.815 + 79PRO HB2 1206 3.207 3.985 -0.787 + 79PRO CA 1207 3.119 3.863 -0.642 + 79PRO HA 1208 3.041 3.923 -0.658 + 79PRO C 1209 3.079 3.715 -0.645 + 79PRO O 1210 3.158 3.627 -0.600 + 80CYS N 1211 2.963 3.691 -0.703 + 80CYS H 1212 2.906 3.767 -0.734 + 80CYS CA 1213 2.917 3.552 -0.724 + 80CYS HA 1214 2.914 3.520 -0.629 + 80CYS CB 1215 2.775 3.534 -0.775 + 80CYS HB1 1216 2.763 3.435 -0.777 + 80CYS HB2 1217 2.778 3.569 -0.868 + 80CYS SG 1218 2.647 3.616 -0.676 + 80CYS C 1219 3.015 3.472 -0.807 + 80CYS O 1220 3.021 3.348 -0.788 + 81SER N 1221 3.077 3.529 -0.908 + 81SER H 1222 3.053 3.624 -0.928 + 81SER CA 1223 3.178 3.467 -0.993 + 81SER HA 1224 3.124 3.398 -1.041 + 81SER CB 1225 3.238 3.564 -1.095 + 81SER HB1 1226 3.167 3.606 -1.153 + 81SER HB2 1227 3.306 3.519 -1.153 + 81SER OG 1228 3.303 3.668 -1.023 + 81SER HG 1229 3.344 3.733 -1.088 + 81SER C 1230 3.291 3.403 -0.911 + 81SER O 1231 3.334 3.294 -0.956 + 82ALA N 1232 3.323 3.457 -0.795 + 82ALA H 1233 3.276 3.540 -0.764 + 82ALA CA 1234 3.427 3.396 -0.711 + 82ALA HA 1235 3.504 3.380 -0.773 + 82ALA CB 1236 3.472 3.493 -0.602 + 82ALA HB1 1237 3.543 3.450 -0.546 + 82ALA HB2 1238 3.509 3.576 -0.644 + 82ALA HB3 1239 3.394 3.517 -0.544 + 82ALA C 1240 3.387 3.260 -0.654 + 82ALA O 1241 3.470 3.180 -0.608 + 83LEU N 1242 3.257 3.234 -0.652 + 83LEU H 1243 3.195 3.305 -0.686 + 83LEU CA 1244 3.197 3.109 -0.604 + 83LEU HA 1245 3.254 3.072 -0.531 + 83LEU CB 1246 3.062 3.142 -0.543 + 83LEU HB1 1247 3.021 3.056 -0.514 + 83LEU HB2 1248 3.006 3.182 -0.616 + 83LEU CG 1249 3.051 3.236 -0.424 + 83LEU HG 1250 3.093 3.322 -0.454 + 83LEU CD1 1251 2.904 3.257 -0.386 + 83LEU HD11 1252 2.899 3.319 -0.307 + 83LEU HD12 1253 2.854 3.297 -0.463 + 83LEU HD13 1254 2.863 3.169 -0.361 + 83LEU CD2 1255 3.128 3.187 -0.302 + 83LEU HD21 1256 3.117 3.253 -0.227 + 83LEU HD22 1257 3.092 3.098 -0.274 + 83LEU HD23 1258 3.225 3.178 -0.325 + 83LEU C 1259 3.206 2.996 -0.705 + 83LEU O 1260 3.167 2.882 -0.674 + 84LEU N 1261 3.247 3.027 -0.827 + 84LEU H 1262 3.270 3.122 -0.846 + 84LEU CA 1263 3.261 2.930 -0.935 + 84LEU HA 1264 3.213 2.848 -0.902 + 84LEU CB 1265 3.191 2.979 -1.061 + 84LEU HB1 1266 3.200 2.907 -1.130 + 84LEU HB2 1267 3.242 3.060 -1.092 + 84LEU CG 1268 3.045 3.018 -1.057 + 84LEU HG 1269 3.033 3.085 -0.984 + 84LEU CD1 1270 3.001 3.077 -1.192 + 84LEU HD11 1271 2.905 3.102 -1.187 + 84LEU HD12 1272 3.056 3.158 -1.212 + 84LEU HD13 1273 3.015 3.009 -1.264 + 84LEU CD2 1274 2.960 2.894 -1.033 + 84LEU HD21 1275 2.863 2.920 -1.030 + 84LEU HD22 1276 2.975 2.829 -1.107 + 84LEU HD23 1277 2.986 2.853 -0.946 + 84LEU C 1278 3.405 2.884 -0.957 + 84LEU O 1279 3.433 2.824 -1.062 + 85SER N 1280 3.494 2.920 -0.868 + 85SER H 1281 3.466 2.980 -0.793 + 85SER CA 1282 3.634 2.875 -0.873 + 85SER HA 1283 3.667 2.898 -0.964 + 85SER CB 1284 3.711 2.948 -0.763 + 85SER HB1 1285 3.685 2.915 -0.672 + 85SER HB2 1286 3.697 3.047 -0.768 + 85SER OG 1287 3.848 2.921 -0.783 + 85SER HG 1288 3.902 2.968 -0.713 + 85SER C 1289 3.647 2.724 -0.850 + 85SER O 1290 3.576 2.664 -0.768 + 86SER N 1291 3.762 2.674 -0.894 + 86SER H 1292 3.824 2.733 -0.946 + 86SER CA 1293 3.801 2.534 -0.870 + 86SER HA 1294 3.720 2.480 -0.890 + 86SER CB 1295 3.911 2.487 -0.965 + 86SER HB1 1296 3.973 2.422 -0.921 + 86SER HB2 1297 3.963 2.563 -1.003 + 86SER OG 1298 3.840 2.421 -1.069 + 86SER HG 1299 3.905 2.387 -1.137 + 86SER C 1300 3.839 2.515 -0.723 + 86SER O 1301 3.831 2.405 -0.667 + 87ASP N 1302 3.885 2.624 -0.667 + 87ASP H 1303 3.890 2.706 -0.725 + 87ASP CA 1304 3.928 2.639 -0.527 + 87ASP HA 1305 3.976 2.558 -0.494 + 87ASP CB 1306 4.022 2.761 -0.521 + 87ASP HB1 1307 3.973 2.839 -0.559 + 87ASP HB2 1308 4.101 2.740 -0.579 + 87ASP CG 1309 4.076 2.804 -0.387 + 87ASP OD1 1310 4.034 2.770 -0.274 + 87ASP OD2 1311 4.179 2.880 -0.393 + 87ASP C 1312 3.800 2.666 -0.447 + 87ASP O 1313 3.749 2.776 -0.471 + 88ILE N 1314 3.773 2.585 -0.346 + 88ILE H 1315 3.834 2.509 -0.324 + 88ILE CA 1316 3.651 2.609 -0.266 + 88ILE HA 1317 3.593 2.650 -0.335 + 88ILE CB 1318 3.599 2.474 -0.205 + 88ILE HB 1319 3.514 2.488 -0.154 + 88ILE CG2 1320 3.559 2.374 -0.316 + 88ILE HG21 1321 3.526 2.289 -0.275 + 88ILE HG22 1322 3.486 2.415 -0.372 + 88ILE HG23 1323 3.638 2.355 -0.374 + 88ILE CG1 1324 3.692 2.420 -0.093 + 88ILE HG11 1325 3.727 2.500 -0.045 + 88ILE HG12 1326 3.767 2.373 -0.139 + 88ILE CD 1327 3.636 2.323 0.014 + 88ILE HD1 1328 3.709 2.298 0.078 + 88ILE HD2 1329 3.562 2.367 0.064 + 88ILE HD3 1330 3.602 2.240 -0.031 + 88ILE C 1331 3.658 2.714 -0.156 + 88ILE O 1332 3.560 2.731 -0.080 + 89THR N 1333 3.774 2.779 -0.137 + 89THR H 1334 3.851 2.758 -0.197 + 89THR CA 1335 3.791 2.877 -0.031 + 89THR HA 1336 3.791 2.815 0.048 + 89THR CB 1337 3.927 2.959 -0.042 + 89THR HB 1338 3.935 3.016 -0.124 + 89THR CG2 1339 3.942 3.055 0.077 + 89THR HG21 1340 4.028 3.106 0.068 + 89THR HG22 1341 3.865 3.119 0.078 + 89THR HG23 1342 3.943 3.003 0.162 + 89THR OG1 1343 4.034 2.859 -0.051 + 89THR HG1 1344 4.122 2.906 -0.059 + 89THR C 1345 3.674 2.976 -0.016 + 89THR O 1346 3.634 2.998 0.100 + 90ALA N 1347 3.651 3.048 -0.124 + 90ALA H 1348 3.703 3.030 -0.207 + 90ALA CA 1349 3.548 3.155 -0.124 + 90ALA HA 1350 3.581 3.224 -0.059 + 90ALA CB 1351 3.537 3.221 -0.262 + 90ALA HB1 1352 3.467 3.293 -0.259 + 90ALA HB2 1353 3.625 3.261 -0.287 + 90ALA HB3 1354 3.511 3.152 -0.330 + 90ALA C 1355 3.412 3.107 -0.073 + 90ALA O 1356 3.337 3.167 0.007 + 91SER N 1357 3.375 2.992 -0.130 + 91SER H 1358 3.437 2.950 -0.196 + 91SER CA 1359 3.249 2.922 -0.102 + 91SER HA 1360 3.178 2.987 -0.126 + 91SER CB 1361 3.228 2.803 -0.192 + 91SER HB1 1362 3.150 2.750 -0.159 + 91SER HB2 1363 3.310 2.746 -0.191 + 91SER OG 1364 3.202 2.833 -0.326 + 91SER HG 1365 3.189 2.749 -0.377 + 91SER C 1366 3.243 2.882 0.047 + 91SER O 1367 3.141 2.906 0.111 + 92VAL N 1368 3.350 2.821 0.095 + 92VAL H 1369 3.426 2.800 0.034 + 92VAL CA 1370 3.359 2.785 0.238 + 92VAL HA 1371 3.281 2.726 0.258 + 92VAL CB 1372 3.489 2.704 0.265 + 92VAL HB 1373 3.570 2.746 0.224 + 92VAL CG1 1374 3.513 2.699 0.415 + 92VAL HG11 1375 3.596 2.647 0.434 + 92VAL HG12 1376 3.522 2.792 0.450 + 92VAL HG13 1377 3.435 2.654 0.460 + 92VAL CG2 1378 3.478 2.567 0.201 + 92VAL HG21 1379 3.561 2.515 0.219 + 92VAL HG22 1380 3.399 2.519 0.240 + 92VAL HG23 1381 3.465 2.577 0.103 + 92VAL C 1382 3.348 2.911 0.326 + 92VAL O 1383 3.272 2.902 0.424 + 93ASN N 1384 3.420 3.016 0.291 + 93ASN H 1385 3.478 3.011 0.210 + 93ASN CA 1386 3.416 3.141 0.368 + 93ASN HA 1387 3.446 3.106 0.457 + 93ASN CB 1388 3.517 3.247 0.325 + 93ASN HB1 1389 3.494 3.334 0.368 + 93ASN HB2 1390 3.513 3.257 0.225 + 93ASN CG 1391 3.658 3.208 0.364 + 93ASN OD1 1392 3.755 3.267 0.312 + 93ASN ND2 1393 3.671 3.119 0.463 + 93ASN HD21 1394 3.590 3.081 0.507 + 93ASN HD22 1395 3.762 3.090 0.493 + 93ASN C 1396 3.275 3.203 0.380 + 93ASN O 1397 3.236 3.239 0.491 + 94CYS N 1398 3.210 3.200 0.267 + 94CYS H 1399 3.254 3.166 0.184 + 94CYS CA 1400 3.069 3.245 0.263 + 94CYS HA 1401 3.063 3.332 0.312 + 94CYS CB 1402 3.029 3.270 0.119 + 94CYS HB1 1403 3.035 3.181 0.074 + 94CYS HB2 1404 3.100 3.331 0.082 + 94CYS SG 1405 2.864 3.343 0.105 + 94CYS C 1406 2.978 3.153 0.342 + 94CYS O 1407 2.897 3.203 0.424 + 95ALA N 1408 2.994 3.023 0.326 + 95ALA H 1409 3.065 2.991 0.263 + 95ALA CA 1410 2.913 2.923 0.397 + 95ALA HA 1411 2.822 2.947 0.364 + 95ALA CB 1412 2.950 2.779 0.361 + 95ALA HB1 1413 2.891 2.717 0.412 + 95ALA HB2 1414 2.936 2.765 0.263 + 95ALA HB3 1415 3.045 2.762 0.385 + 95ALA C 1416 2.924 2.933 0.549 + 95ALA O 1417 2.822 2.918 0.618 + 96LYS N 1418 3.042 2.963 0.599 + 96LYS H 1419 3.121 2.966 0.537 + 96LYS CA 1420 3.063 2.991 0.742 + 96LYS HA 1421 3.030 2.908 0.786 + 96LYS CB 1422 3.210 3.011 0.777 + 96LYS HB1 1423 3.216 3.047 0.871 + 96LYS HB2 1424 3.250 3.077 0.713 + 96LYS CG 1425 3.287 2.879 0.770 + 96LYS HG1 1426 3.272 2.837 0.681 + 96LYS HG2 1427 3.256 2.817 0.842 + 96LYS CD 1428 3.436 2.907 0.788 + 96LYS HD1 1429 3.448 2.958 0.873 + 96LYS HD2 1430 3.467 2.963 0.711 + 96LYS CE 1431 3.520 2.782 0.794 + 96LYS HE1 1432 3.514 2.731 0.708 + 96LYS HE2 1433 3.490 2.723 0.869 + 96LYS NZ 1434 3.661 2.824 0.817 + 96LYS HZ1 1435 3.720 2.744 0.821 + 96LYS HZ2 1436 3.691 2.883 0.742 + 96LYS HZ3 1437 3.667 2.875 0.903 + 96LYS C 1438 2.980 3.112 0.791 + 96LYS O 1439 2.930 3.101 0.903 + 97LYS N 1440 2.966 3.210 0.705 + 97LYS H 1441 3.013 3.206 0.617 + 97LYS CA 1442 2.881 3.326 0.738 + 97LYS HA 1443 2.908 3.351 0.831 + 97LYS CB 1444 2.909 3.446 0.647 + 97LYS HB1 1445 2.849 3.521 0.674 + 97LYS HB2 1446 2.889 3.419 0.553 + 97LYS CG 1447 3.054 3.493 0.656 + 97LYS HG1 1448 3.114 3.416 0.634 + 97LYS HG2 1449 3.072 3.523 0.750 + 97LYS CD 1450 3.084 3.607 0.561 + 97LYS HD1 1451 3.041 3.691 0.595 + 97LYS HD2 1452 3.048 3.585 0.470 + 97LYS CE 1453 3.234 3.629 0.551 + 97LYS HE1 1454 3.277 3.551 0.506 + 97LYS HE2 1455 3.273 3.641 0.642 + 97LYS NZ 1456 3.257 3.752 0.471 + 97LYS HZ1 1457 3.355 3.769 0.463 + 97LYS HZ2 1458 3.217 3.741 0.380 + 97LYS HZ3 1459 3.213 3.830 0.516 + 97LYS C 1460 2.733 3.290 0.739 + 97LYS O 1461 2.657 3.332 0.827 + 98ILE N 1462 2.690 3.213 0.642 + 98ILE H 1463 2.756 3.181 0.574 + 98ILE CA 1464 2.552 3.169 0.627 + 98ILE HA 1465 2.499 3.254 0.629 + 98ILE CB 1466 2.531 3.100 0.490 + 98ILE HB 1467 2.596 3.025 0.482 + 98ILE CG2 1468 2.389 3.039 0.482 + 98ILE HG21 1469 2.376 2.994 0.393 + 98ILE HG22 1470 2.377 2.971 0.555 + 98ILE HG23 1471 2.321 3.111 0.492 + 98ILE CG1 1472 2.564 3.191 0.370 + 98ILE HG11 1473 2.656 3.229 0.385 + 98ILE HG12 1474 2.498 3.265 0.369 + 98ILE CD 1475 2.562 3.120 0.232 + 98ILE HD1 1476 2.585 3.186 0.161 + 98ILE HD2 1477 2.629 3.046 0.232 + 98ILE HD3 1478 2.471 3.083 0.215 + 98ILE C 1479 2.503 3.087 0.745 + 98ILE O 1480 2.406 3.125 0.813 + 99VAL N 1481 2.588 2.997 0.791 + 99VAL H 1482 2.680 2.993 0.754 + 99VAL CA 1483 2.549 2.901 0.896 + 99VAL HA 1484 2.455 2.870 0.879 + 99VAL CB 1485 2.640 2.777 0.886 + 99VAL HB 1486 2.644 2.747 0.791 + 99VAL CG1 1487 2.781 2.814 0.928 + 99VAL HG11 1488 2.840 2.733 0.921 + 99VAL HG12 1489 2.816 2.885 0.868 + 99VAL HG13 1490 2.780 2.847 1.022 + 99VAL CG2 1491 2.583 2.659 0.963 + 99VAL HG21 1492 2.645 2.581 0.955 + 99VAL HG22 1493 2.574 2.684 1.060 + 99VAL HG23 1494 2.494 2.635 0.926 + 99VAL C 1495 2.543 2.970 1.032 + 99VAL O 1496 2.474 2.921 1.123 + 100SER N 1497 2.621 3.075 1.041 + 100SER H 1498 2.674 3.103 0.962 + 100SER CA 1499 2.630 3.153 1.165 + 100SER HA 1500 2.623 3.090 1.243 + 100SER CB 1501 2.765 3.219 1.172 + 100SER HB1 1502 2.769 3.278 1.253 + 100SER HB2 1503 2.780 3.274 1.090 + 100SER OG 1504 2.871 3.126 1.182 + 100SER HG 1505 2.958 3.176 1.186 + 100SER C 1506 2.512 3.250 1.176 + 100SER O 1507 2.500 3.313 1.282 + 101ASP N 1508 2.431 3.260 1.075 + 101ASP H 1509 2.449 3.201 0.997 + 101ASP CA 1510 2.316 3.349 1.065 + 101ASP HA 1511 2.357 3.428 1.112 + 101ASP CB 1512 2.281 3.385 0.921 + 101ASP HB1 1513 2.203 3.329 0.892 + 101ASP HB2 1514 2.360 3.365 0.863 + 101ASP CG 1515 2.243 3.532 0.901 + 101ASP OD1 1516 2.325 3.622 0.927 + 101ASP OD2 1517 2.128 3.552 0.855 + 101ASP C 1518 2.192 3.318 1.148 + 101ASP O 1519 2.113 3.414 1.168 + 102GLY N 1520 2.172 3.194 1.189 + 102GLY H 1521 2.231 3.120 1.156 + 102GLY CA 1522 2.062 3.166 1.282 + 102GLY HA1 1523 2.001 3.245 1.282 + 102GLY HA2 1524 2.102 3.155 1.373 + 102GLY C 1525 1.981 3.041 1.250 + 102GLY O 1526 1.919 2.990 1.346 + 103ASN N 1527 1.980 3.000 1.124 + 103ASN H 1528 2.030 3.053 1.055 + 103ASN CA 1529 1.908 2.880 1.085 + 103ASN HA 1530 1.857 2.856 1.167 + 103ASN CB 1531 1.798 2.905 0.982 + 103ASN HB1 1532 1.833 2.881 0.892 + 103ASN HB2 1533 1.774 3.002 0.984 + 103ASN CG 1534 1.671 2.825 1.006 + 103ASN OD1 1535 1.651 2.758 1.110 + 103ASN ND2 1536 1.567 2.843 0.924 + 103ASN HD21 1537 1.574 2.908 0.849 + 103ASN HD22 1538 1.483 2.791 0.938 + 103ASN C 1539 1.999 2.760 1.060 + 103ASN O 1540 1.947 2.658 1.012 + 104GLY N 1541 2.124 2.771 1.100 + 104GLY H 1542 2.156 2.857 1.140 + 104GLY CA 1543 2.218 2.657 1.086 + 104GLY HA1 1544 2.187 2.582 1.144 + 104GLY HA2 1545 2.309 2.685 1.114 + 104GLY C 1546 2.217 2.614 0.939 + 104GLY O 1547 2.215 2.704 0.854 + 105MET N 1548 2.218 2.485 0.911 + 105MET H 1549 2.213 2.418 0.986 + 105MET CA 1550 2.228 2.437 0.772 + 105MET HA 1551 2.281 2.506 0.724 + 105MET CB 1552 2.304 2.305 0.763 + 105MET HB1 1553 2.290 2.266 0.672 + 105MET HB2 1554 2.267 2.242 0.832 + 105MET CG 1555 2.452 2.322 0.787 + 105MET HG1 1556 2.461 2.349 0.883 + 105MET HG2 1557 2.480 2.398 0.728 + 105MET SD 1558 2.538 2.166 0.749 + 105MET CE 1559 2.537 2.171 0.570 + 105MET HE1 1560 2.582 2.089 0.535 + 105MET HE2 1561 2.442 2.173 0.538 + 105MET HE3 1562 2.586 2.252 0.539 + 105MET C 1563 2.092 2.431 0.706 + 105MET O 1564 2.090 2.392 0.587 + 106ASN N 1565 1.990 2.484 0.774 + 106ASN H 1566 2.003 2.519 0.866 + 106ASN CA 1567 1.856 2.490 0.710 + 106ASN HA 1568 1.838 2.397 0.677 + 106ASN CB 1569 1.742 2.515 0.808 + 106ASN HB1 1570 1.658 2.534 0.758 + 106ASN HB2 1571 1.765 2.594 0.866 + 106ASN CG 1572 1.721 2.394 0.897 + 106ASN OD1 1573 1.684 2.287 0.844 + 106ASN ND2 1574 1.754 2.405 1.026 + 106ASN HD21 1575 1.792 2.491 1.060 + 106ASN HD22 1576 1.742 2.327 1.087 + 106ASN C 1577 1.857 2.583 0.589 + 106ASN O 1578 1.768 2.575 0.502 + 107ALA N 1579 1.962 2.665 0.580 + 107ALA H 1580 2.028 2.667 0.655 + 107ALA CA 1581 1.982 2.751 0.463 + 107ALA HA 1582 1.898 2.805 0.456 + 107ALA CB 1583 2.106 2.837 0.488 + 107ALA HB1 1584 2.121 2.897 0.409 + 107ALA HB2 1585 2.092 2.893 0.570 + 107ALA HB3 1586 2.186 2.778 0.501 + 107ALA C 1587 2.001 2.674 0.333 + 107ALA O 1588 1.973 2.729 0.226 + 108TRP N 1589 2.037 2.546 0.343 + 108TRP H 1590 2.054 2.507 0.434 + 108TRP CA 1591 2.053 2.462 0.224 + 108TRP HA 1592 2.058 2.523 0.145 + 108TRP CB 1593 2.184 2.383 0.234 + 108TRP HB1 1594 2.183 2.307 0.168 + 108TRP HB2 1595 2.195 2.346 0.326 + 108TRP CG 1596 2.300 2.474 0.203 + 108TRP CD1 1597 2.336 2.523 0.080 + 108TRP HD1 1598 2.292 2.500 -0.007 + 108TRP NE1 1599 2.441 2.610 0.095 + 108TRP HE1 1600 2.489 2.656 0.020 + 108TRP CE2 1601 2.471 2.624 0.227 + 108TRP CZ2 1602 2.568 2.698 0.292 + 108TRP HZ2 1603 2.635 2.752 0.240 + 108TRP CH2 1604 2.569 2.696 0.430 + 108TRP HH2 1605 2.637 2.750 0.479 + 108TRP CZ3 1606 2.477 2.620 0.503 + 108TRP HZ3 1607 2.480 2.622 0.603 + 108TRP CE3 1608 2.383 2.543 0.438 + 108TRP HE3 1609 2.319 2.487 0.490 + 108TRP CD2 1610 2.380 2.544 0.299 + 108TRP C 1611 1.932 2.369 0.211 + 108TRP O 1612 1.924 2.282 0.299 + 109VAL N 1613 1.849 2.392 0.110 + 109VAL H 1614 1.868 2.463 0.042 + 109VAL CA 1615 1.727 2.310 0.102 + 109VAL HA 1616 1.687 2.318 0.194 + 109VAL CB 1617 1.615 2.366 0.014 + 109VAL HB 1618 1.590 2.454 0.056 + 109VAL CG1 1619 1.661 2.391 -0.128 + 109VAL HG11 1620 1.585 2.427 -0.182 + 109VAL HG12 1621 1.736 2.456 -0.128 + 109VAL HG13 1622 1.691 2.304 -0.169 + 109VAL CG2 1623 1.490 2.278 0.014 + 109VAL HG21 1624 1.421 2.320 -0.045 + 109VAL HG22 1625 1.514 2.188 -0.021 + 109VAL HG23 1626 1.454 2.270 0.107 + 109VAL C 1627 1.757 2.161 0.088 + 109VAL O 1628 1.692 2.081 0.159 + 110ALA N 1629 1.856 2.131 0.007 + 110ALA H 1630 1.907 2.206 -0.035 + 110ALA CA 1631 1.897 1.993 -0.024 + 110ALA HA 1632 1.812 1.949 -0.052 + 110ALA CB 1633 1.986 1.978 -0.146 + 110ALA HB1 1634 2.008 1.881 -0.158 + 110ALA HB2 1635 1.938 2.012 -0.226 + 110ALA HB3 1636 2.070 2.030 -0.132 + 110ALA C 1637 1.950 1.924 0.101 + 110ALA O 1638 1.920 1.805 0.117 + 111TRP N 1639 2.012 1.998 0.189 + 111TRP H 1640 2.031 2.094 0.166 + 111TRP CA 1641 2.055 1.950 0.320 + 111TRP HA 1642 2.111 1.869 0.300 + 111TRP CB 1643 2.149 2.045 0.393 + 111TRP HB1 1644 2.103 2.133 0.406 + 111TRP HB2 1645 2.232 2.058 0.339 + 111TRP CG 1646 2.186 1.990 0.525 + 111TRP CD1 1647 2.286 1.898 0.549 + 111TRP HD1 1648 2.349 1.863 0.479 + 111TRP NE1 1649 2.285 1.859 0.681 + 111TRP HE1 1650 2.350 1.796 0.724 + 111TRP CE2 1651 2.180 1.922 0.743 + 111TRP CZ2 1652 2.149 1.928 0.878 + 111TRP HZ2 1653 2.201 1.876 0.946 + 111TRP CH2 1654 2.044 2.011 0.916 + 111TRP HH2 1655 2.013 2.010 1.011 + 111TRP CZ3 1656 1.982 2.095 0.824 + 111TRP HZ3 1657 1.909 2.157 0.855 + 111TRP CE3 1658 2.018 2.096 0.691 + 111TRP HE3 1659 1.973 2.156 0.625 + 111TRP CD2 1660 2.120 2.009 0.650 + 111TRP C 1661 1.934 1.908 0.405 + 111TRP O 1662 1.928 1.799 0.464 + 112ARG N 1663 1.844 2.004 0.423 + 112ARG H 1664 1.862 2.094 0.385 + 112ARG CA 1665 1.719 1.983 0.495 + 112ARG HA 1666 1.750 1.973 0.590 + 112ARG CB 1667 1.621 2.099 0.494 + 112ARG HB1 1668 1.557 2.081 0.569 + 112ARG HB2 1669 1.573 2.093 0.407 + 112ARG CG 1670 1.659 2.244 0.509 + 112ARG HG1 1671 1.716 2.271 0.431 + 112ARG HG2 1672 1.711 2.256 0.594 + 112ARG CD 1673 1.537 2.330 0.513 + 112ARG HD1 1674 1.560 2.418 0.554 + 112ARG HD2 1675 1.468 2.285 0.570 + 112ARG NE 1676 1.478 2.355 0.384 + 112ARG HE 1677 1.430 2.278 0.341 + 112ARG CZ 1678 1.479 2.470 0.314 + 112ARG NH1 1679 1.560 2.572 0.338 + 112ARG HH11 1680 1.626 2.567 0.413 + 112ARG HH12 1681 1.554 2.654 0.282 + 112ARG NH2 1682 1.372 2.501 0.240 + 112ARG HH21 1683 1.293 2.439 0.237 + 112ARG HH22 1684 1.371 2.586 0.187 + 112ARG C 1685 1.647 1.859 0.439 + 112ARG O 1686 1.600 1.779 0.522 + 113ASN N 1687 1.631 1.852 0.307 + 113ASN H 1688 1.676 1.919 0.248 + 113ASN CA 1689 1.546 1.746 0.249 + 113ASN HA 1690 1.466 1.747 0.308 + 113ASN CB 1691 1.497 1.778 0.108 + 113ASN HB1 1692 1.450 1.697 0.073 + 113ASN HB2 1693 1.576 1.799 0.051 + 113ASN CG 1694 1.400 1.896 0.102 + 113ASN OD1 1695 1.345 1.934 0.206 + 113ASN ND2 1696 1.384 1.956 -0.016 + 113ASN HD21 1697 1.434 1.922 -0.096 + 113ASN HD22 1698 1.322 2.033 -0.024 + 113ASN C 1699 1.611 1.608 0.259 + 113ASN O 1700 1.545 1.505 0.281 + 114ARG N 1701 1.740 1.604 0.235 + 114ARG H 1702 1.791 1.690 0.240 + 114ARG CA 1703 1.816 1.484 0.204 + 114ARG HA 1704 1.749 1.411 0.221 + 114ARG CB 1705 1.862 1.491 0.058 + 114ARG HB1 1706 1.934 1.423 0.041 + 114ARG HB2 1707 1.898 1.582 0.037 + 114ARG CG 1708 1.740 1.461 -0.030 + 114ARG HG1 1709 1.676 1.538 -0.025 + 114ARG HG2 1710 1.694 1.379 0.003 + 114ARG CD 1711 1.773 1.440 -0.173 + 114ARG HD1 1712 1.693 1.406 -0.222 + 114ARG HD2 1713 1.847 1.373 -0.181 + 114ARG NE 1714 1.815 1.568 -0.230 + 114ARG HE 1715 1.872 1.628 -0.174 + 114ARG CZ 1716 1.783 1.608 -0.354 + 114ARG NH1 1717 1.738 1.523 -0.446 + 114ARG HH11 1718 1.728 1.426 -0.423 + 114ARG HH12 1719 1.714 1.555 -0.537 + 114ARG NH2 1720 1.773 1.739 -0.380 + 114ARG HH21 1721 1.791 1.806 -0.307 + 114ARG HH22 1722 1.749 1.770 -0.471 + 114ARG C 1723 1.926 1.444 0.299 + 114ARG O 1724 1.951 1.322 0.310 + 115CYS N 1725 1.974 1.537 0.377 + 115CYS H 1726 1.937 1.630 0.374 + 115CYS CA 1727 2.084 1.504 0.471 + 115CYS HA 1728 2.112 1.410 0.452 + 115CYS CB 1729 2.199 1.602 0.443 + 115CYS HB1 1730 2.272 1.575 0.506 + 115CYS HB2 1731 2.163 1.691 0.469 + 115CYS SG 1732 2.256 1.601 0.274 + 115CYS C 1733 2.045 1.493 0.616 + 115CYS O 1734 2.097 1.412 0.694 + 116LYS N 1735 1.971 1.592 0.662 + 116LYS H 1736 1.939 1.660 0.597 + 116LYS CA 1737 1.933 1.609 0.803 + 116LYS HA 1738 2.015 1.619 0.860 + 116LYS CB 1739 1.849 1.736 0.813 + 116LYS HB1 1740 1.774 1.731 0.747 + 116LYS HB2 1741 1.907 1.815 0.791 + 116LYS CG 1742 1.793 1.751 0.955 + 116LYS HG1 1743 1.865 1.786 1.015 + 116LYS HG2 1744 1.763 1.662 0.988 + 116LYS CD 1745 1.674 1.848 0.955 + 116LYS HD1 1746 1.590 1.798 0.937 + 116LYS HD2 1747 1.688 1.918 0.885 + 116LYS CE 1748 1.666 1.915 1.092 + 116LYS HE1 1749 1.747 1.972 1.106 + 116LYS HE2 1750 1.662 1.844 1.163 + 116LYS NZ 1751 1.545 2.001 1.105 + 116LYS HZ1 1752 1.544 2.043 1.196 + 116LYS HZ2 1753 1.548 2.073 1.035 + 116LYS HZ3 1754 1.463 1.946 1.092 + 116LYS C 1755 1.863 1.482 0.852 + 116LYS O 1756 1.782 1.423 0.779 + 117GLY N 1757 1.915 1.432 0.964 + 117GLY H 1758 1.995 1.475 1.005 + 117GLY CA 1759 1.856 1.313 1.027 + 117GLY HA1 1760 1.757 1.319 1.015 + 117GLY HA2 1761 1.878 1.317 1.124 + 117GLY C 1762 1.902 1.178 0.973 + 117GLY O 1763 1.850 1.073 1.016 + 118THR N 1764 1.989 1.180 0.874 + 118THR H 1765 2.017 1.269 0.836 + 118THR CA 1766 2.047 1.058 0.817 + 118THR HA 1767 1.989 0.982 0.848 + 118THR CB 1768 2.044 1.057 0.660 + 118THR HB 1769 2.057 0.966 0.619 + 118THR CG2 1770 1.910 1.110 0.607 + 118THR HG21 1771 1.910 1.109 0.507 + 118THR HG22 1772 1.835 1.053 0.641 + 118THR HG23 1773 1.896 1.204 0.639 + 118THR OG1 1774 2.156 1.140 0.616 + 118THR HG1 1775 2.158 1.143 0.516 + 118THR C 1776 2.187 1.038 0.876 + 118THR O 1777 2.232 1.112 0.965 + 119ASP N 1778 2.239 0.921 0.843 + 119ASP H 1779 2.182 0.856 0.793 + 119ASP CA 1780 2.377 0.883 0.876 + 119ASP HA 1781 2.396 0.913 0.969 + 119ASP CB 1782 2.393 0.731 0.874 + 119ASP HB1 1783 2.374 0.697 0.782 + 119ASP HB2 1784 2.329 0.691 0.939 + 119ASP CG 1785 2.535 0.690 0.912 + 119ASP OD1 1786 2.605 0.763 0.983 + 119ASP OD2 1787 2.572 0.575 0.880 + 119ASP C 1788 2.471 0.954 0.778 + 119ASP O 1789 2.518 0.895 0.678 + 120VAL N 1790 2.499 1.079 0.809 + 120VAL H 1791 2.456 1.118 0.891 + 120VAL CA 1792 2.589 1.164 0.731 + 120VAL HA 1793 2.556 1.146 0.638 + 120VAL CB 1794 2.572 1.313 0.763 + 120VAL HB 1795 2.640 1.365 0.710 + 120VAL CG1 1796 2.436 1.365 0.718 + 120VAL HG11 1797 2.428 1.463 0.741 + 120VAL HG12 1798 2.426 1.353 0.620 + 120VAL HG13 1799 2.363 1.315 0.765 + 120VAL CG2 1800 2.609 1.348 0.905 + 120VAL HG21 1801 2.596 1.446 0.920 + 120VAL HG22 1802 2.550 1.297 0.968 + 120VAL HG23 1803 2.704 1.324 0.922 + 120VAL C 1804 2.734 1.120 0.730 + 120VAL O 1805 2.810 1.160 0.641 + 121GLN N 1806 2.770 1.043 0.831 + 121GLN H 1807 2.705 1.028 0.905 + 121GLN CA 1808 2.902 0.978 0.839 + 121GLN HA 1809 2.971 1.051 0.834 + 121GLN CB 1810 2.909 0.905 0.973 + 121GLN HB1 1811 2.872 0.812 0.963 + 121GLN HB2 1812 2.856 0.955 1.042 + 121GLN CG 1813 3.053 0.896 1.017 + 121GLN HG1 1814 3.102 0.978 0.986 + 121GLN HG2 1815 3.095 0.815 0.976 + 121GLN CD 1816 3.062 0.888 1.167 + 121GLN OE1 1817 3.137 0.963 1.228 + 121GLN NE2 1818 2.988 0.787 1.215 + 121GLN HE21 1819 2.937 0.729 1.152 + 121GLN HE22 1820 2.985 0.770 1.314 + 121GLN C 1821 2.932 0.886 0.721 + 121GLN O 1822 3.048 0.867 0.682 + 122ALA N 1823 2.830 0.827 0.658 + 122ALA H 1824 2.740 0.833 0.701 + 122ALA CA 1825 2.839 0.755 0.531 + 122ALA HA 1826 2.888 0.671 0.556 + 122ALA CB 1827 2.700 0.724 0.478 + 122ALA HB1 1828 2.707 0.675 0.392 + 122ALA HB2 1829 2.651 0.668 0.545 + 122ALA HB3 1830 2.650 0.810 0.464 + 122ALA C 1831 2.919 0.829 0.423 + 122ALA O 1832 3.003 0.771 0.352 + 123TRP N 1833 2.902 0.962 0.424 + 123TRP H 1834 2.841 1.002 0.492 + 123TRP CA 1835 2.970 1.050 0.328 + 123TRP HA 1836 2.958 1.006 0.239 + 123TRP CB 1837 2.903 1.187 0.335 + 123TRP HB1 1838 2.952 1.252 0.277 + 123TRP HB2 1839 2.901 1.220 0.429 + 123TRP CG 1840 2.762 1.173 0.285 + 123TRP CD1 1841 2.648 1.161 0.359 + 123TRP HD1 1842 2.645 1.162 0.459 + 123TRP NE1 1843 2.540 1.146 0.277 + 123TRP HE1 1844 2.445 1.141 0.308 + 123TRP CE2 1845 2.583 1.139 0.148 + 123TRP CZ2 1846 2.511 1.118 0.031 + 123TRP HZ2 1847 2.412 1.108 0.032 + 123TRP CH2 1848 2.583 1.113 -0.087 + 123TRP HH2 1849 2.536 1.094 -0.173 + 123TRP CZ3 1850 2.722 1.133 -0.089 + 123TRP HZ3 1851 2.770 1.137 -0.176 + 123TRP CE3 1852 2.795 1.147 0.028 + 123TRP HE3 1853 2.895 1.151 0.027 + 123TRP CD2 1854 2.724 1.155 0.148 + 123TRP C 1855 3.122 1.058 0.339 + 123TRP O 1856 3.191 1.094 0.241 + 124ILE N 1857 3.174 1.027 0.455 + 124ILE H 1858 3.113 1.001 0.530 + 124ILE CA 1859 3.319 1.029 0.480 + 124ILE HA 1860 3.357 1.051 0.390 + 124ILE CB 1861 3.350 1.140 0.586 + 124ILE HB 1862 3.449 1.150 0.599 + 124ILE CG2 1863 3.302 1.280 0.539 + 124ILE HG21 1864 3.324 1.349 0.609 + 124ILE HG22 1865 3.349 1.304 0.453 + 124ILE HG23 1866 3.204 1.278 0.524 + 124ILE CG1 1867 3.296 1.098 0.723 + 124ILE HG11 1868 3.292 0.998 0.725 + 124ILE HG12 1869 3.203 1.135 0.731 + 124ILE CD 1870 3.373 1.144 0.849 + 124ILE HD1 1871 3.327 1.110 0.931 + 124ILE HD2 1872 3.466 1.107 0.846 + 124ILE HD3 1873 3.376 1.244 0.852 + 124ILE C 1874 3.386 0.896 0.502 + 124ILE O 1875 3.510 0.889 0.513 + 125ARG N 1876 3.308 0.790 0.513 + 125ARG H 1877 3.209 0.803 0.508 + 125ARG CA 1878 3.359 0.653 0.532 + 125ARG HA 1879 3.422 0.656 0.610 + 125ARG CB 1880 3.248 0.555 0.565 + 125ARG HB1 1881 3.278 0.463 0.541 + 125ARG HB2 1882 3.167 0.579 0.511 + 125ARG CG 1883 3.212 0.560 0.715 + 125ARG HG1 1884 3.160 0.643 0.735 + 125ARG HG2 1885 3.295 0.558 0.770 + 125ARG CD 1886 3.128 0.439 0.748 + 125ARG HD1 1887 3.185 0.367 0.786 + 125ARG HD2 1888 3.081 0.406 0.666 + 125ARG NE 1889 3.028 0.475 0.847 + 125ARG HE 1890 3.063 0.484 0.940 + 125ARG CZ 1891 2.898 0.499 0.833 + 125ARG NH1 1892 2.833 0.469 0.721 + 125ARG HH11 1893 2.883 0.427 0.644 + 125ARG HH12 1894 2.736 0.488 0.713 + 125ARG NH2 1895 2.839 0.555 0.939 + 125ARG HH21 1896 2.893 0.575 1.021 + 125ARG HH22 1897 2.741 0.576 0.937 + 125ARG C 1898 3.431 0.611 0.404 + 125ARG O 1899 3.384 0.634 0.291 + 126GLY N 1900 3.550 0.557 0.424 + 126GLY H 1901 3.586 0.550 0.517 + 126GLY CA 1902 3.629 0.506 0.310 + 126GLY HA1 1903 3.567 0.487 0.234 + 126GLY HA2 1904 3.674 0.421 0.338 + 126GLY C 1905 3.733 0.607 0.266 + 126GLY O 1906 3.822 0.573 0.185 + 127CYS N 1907 3.734 0.722 0.330 + 127CYS H 1908 3.669 0.735 0.405 + 127CYS CA 1909 3.823 0.833 0.296 + 127CYS HA 1910 3.858 0.817 0.204 + 127CYS CB 1911 3.745 0.963 0.299 + 127CYS HB1 1912 3.815 1.031 0.277 + 127CYS HB2 1913 3.721 0.971 0.396 + 127CYS SG 1914 3.601 0.982 0.194 + 127CYS C 1915 3.942 0.838 0.393 + 127CYS O 1916 3.921 0.827 0.514 + 128ARG N 1917 4.059 0.869 0.339 + 128ARG H 1918 4.066 0.875 0.240 + 128ARG CA 1919 4.177 0.896 0.422 + 128ARG HA 1920 4.166 0.847 0.508 + 128ARG CB 1921 4.305 0.830 0.371 + 128ARG HB1 1922 4.383 0.887 0.398 + 128ARG HB2 1923 4.300 0.825 0.271 + 128ARG CG 1924 4.323 0.689 0.428 + 128ARG HG1 1925 4.384 0.636 0.368 + 128ARG HG2 1926 4.234 0.643 0.434 + 128ARG CD 1927 4.383 0.691 0.565 + 128ARG HD1 1928 4.374 0.601 0.607 + 128ARG HD2 1929 4.335 0.759 0.621 + 128ARG NE 1930 4.525 0.726 0.564 + 128ARG HE 1931 4.583 0.668 0.507 + 128ARG CZ 1932 4.586 0.826 0.628 + 128ARG NH1 1933 4.524 0.907 0.715 + 128ARG HH11 1934 4.427 0.894 0.734 + 128ARG HH12 1935 4.575 0.980 0.761 + 128ARG NH2 1936 4.713 0.855 0.597 + 128ARG HH21 1937 4.761 0.803 0.527 + 128ARG HH22 1938 4.760 0.930 0.645 + 128ARG C 1939 4.182 1.044 0.458 + 128ARG O 1940 4.198 1.129 0.369 + 129LEU N 1941 4.129 1.071 0.577 + 129LEU H 1942 4.101 0.995 0.635 + 129LEU CA 1943 4.109 1.208 0.627 + 129LEU HA 1944 4.128 1.272 0.552 + 129LEU CB 1945 3.964 1.234 0.665 + 129LEU HB1 1946 3.963 1.296 0.742 + 129LEU HB2 1947 3.925 1.146 0.693 + 129LEU CG 1948 3.869 1.292 0.562 + 129LEU HG 1949 3.870 1.391 0.572 + 129LEU CD1 1950 3.911 1.266 0.419 + 129LEU HD11 1951 3.845 1.307 0.357 + 129LEU HD12 1952 4.001 1.306 0.403 + 129LEU HD13 1953 3.916 1.167 0.403 + 129LEU CD2 1954 3.731 1.232 0.589 + 129LEU HD21 1955 3.666 1.269 0.522 + 129LEU HD22 1956 3.735 1.133 0.580 + 129LEU HD23 1957 3.702 1.257 0.681 + 129LEU C 1958 4.212 1.238 0.737 + 129LEU OC1 1959 4.323 1.268 0.691 + 129LEU OC2 1960 4.173 1.228 0.856 + 3.81674 4.23486 3.45459 diff --git a/biobb_wf_md_setup/tests/python/reference/step4_pdb2gmx/pdb2gmx_top.zip b/biobb_wf_md_setup/tests/python/reference/step4_pdb2gmx/pdb2gmx_top.zip new file mode 100644 index 0000000..ebafcb4 Binary files /dev/null and b/biobb_wf_md_setup/tests/python/reference/step4_pdb2gmx/pdb2gmx_top.zip differ diff --git a/biobb_wf_md_setup/tests/python/reference/step5_editconf/editconf.pdb b/biobb_wf_md_setup/tests/python/reference/step5_editconf/editconf.pdb new file mode 100644 index 0000000..8317171 --- /dev/null +++ b/biobb_wf_md_setup/tests/python/reference/step5_editconf/editconf.pdb @@ -0,0 +1,1966 @@ +TITLE GRowing Old MAkes el Chrono Sweat +REMARK THIS IS A SIMULATION BOX +CRYST1 66.101 66.101 66.101 70.53 109.47 70.53 P 1 1 +MODEL 1 +ATOM 1 N LYS 1 40.605 44.204 14.834 1.00 0.00 +ATOM 2 H1 LYS 1 39.965 44.004 14.094 1.00 0.00 +ATOM 3 H2 LYS 1 40.145 44.714 15.554 1.00 0.00 +ATOM 4 H3 LYS 1 41.365 44.754 14.474 1.00 0.00 +ATOM 5 CA LYS 1 41.135 42.934 15.384 1.00 0.00 +ATOM 6 HA LYS 1 41.575 42.414 14.654 1.00 0.00 +ATOM 7 CB LYS 1 42.115 43.304 16.504 1.00 0.00 +ATOM 8 HB1 LYS 1 41.635 43.874 17.174 1.00 0.00 +ATOM 9 HB2 LYS 1 42.875 43.814 16.114 1.00 0.00 +ATOM 10 CG LYS 1 42.695 42.114 17.254 1.00 0.00 +ATOM 11 HG1 LYS 1 42.945 41.404 16.584 1.00 0.00 +ATOM 12 HG2 LYS 1 42.005 41.754 17.874 1.00 0.00 +ATOM 13 CD LYS 1 43.935 42.514 18.044 1.00 0.00 +ATOM 14 HD1 LYS 1 43.735 43.334 18.574 1.00 0.00 +ATOM 15 HD2 LYS 1 44.695 42.694 17.414 1.00 0.00 +ATOM 16 CE LYS 1 44.305 41.374 18.974 1.00 0.00 +ATOM 17 HE1 LYS 1 44.305 40.504 18.484 1.00 0.00 +ATOM 18 HE2 LYS 1 43.655 41.324 19.734 1.00 0.00 +ATOM 19 NZ LYS 1 45.665 41.634 19.514 1.00 0.00 +ATOM 20 HZ1 LYS 1 45.935 40.894 20.134 1.00 0.00 +ATOM 21 HZ2 LYS 1 46.325 41.684 18.754 1.00 0.00 +ATOM 22 HZ3 LYS 1 45.665 42.504 20.014 1.00 0.00 +ATOM 23 C LYS 1 39.985 42.124 15.974 1.00 0.00 +ATOM 24 O LYS 1 39.195 42.674 16.734 1.00 0.00 +ATOM 25 N VAL 2 39.985 40.824 15.774 1.00 0.00 +ATOM 26 H VAL 2 40.605 40.464 15.074 1.00 0.00 +ATOM 27 CA VAL 2 39.145 39.864 16.484 1.00 0.00 +ATOM 28 HA VAL 2 38.415 40.384 16.914 1.00 0.00 +ATOM 29 CB VAL 2 38.385 38.894 15.584 1.00 0.00 +ATOM 30 HB VAL 2 39.105 38.384 15.114 1.00 0.00 +ATOM 31 CG1 VAL 2 37.495 37.944 16.384 1.00 0.00 +ATOM 32 HG11 VAL 2 37.015 37.334 15.754 1.00 0.00 +ATOM 33 HG12 VAL 2 38.065 37.414 17.004 1.00 0.00 +ATOM 34 HG13 VAL 2 36.825 38.474 16.904 1.00 0.00 +ATOM 35 CG2 VAL 2 37.535 39.574 14.524 1.00 0.00 +ATOM 36 HG21 VAL 2 37.075 38.884 13.974 1.00 0.00 +ATOM 37 HG22 VAL 2 36.865 40.164 14.964 1.00 0.00 +ATOM 38 HG23 VAL 2 38.125 40.134 13.934 1.00 0.00 +ATOM 39 C VAL 2 40.045 39.174 17.524 1.00 0.00 +ATOM 40 O VAL 2 41.005 38.474 17.154 1.00 0.00 +ATOM 41 N PHE 3 39.735 39.414 18.774 1.00 0.00 +ATOM 42 H PHE 3 38.995 40.054 18.974 1.00 0.00 +ATOM 43 CA PHE 3 40.435 38.764 19.894 1.00 0.00 +ATOM 44 HA PHE 3 41.395 38.834 19.644 1.00 0.00 +ATOM 45 CB PHE 3 40.215 39.494 21.224 1.00 0.00 +ATOM 46 HB1 PHE 3 40.305 38.844 21.974 1.00 0.00 +ATOM 47 HB2 PHE 3 39.295 39.884 21.234 1.00 0.00 +ATOM 48 CG PHE 3 41.185 40.604 21.434 1.00 0.00 +ATOM 49 CD1 PHE 3 40.915 41.914 21.014 1.00 0.00 +ATOM 50 HD1 PHE 3 40.055 42.114 20.544 1.00 0.00 +ATOM 51 CE1 PHE 3 41.825 42.944 21.244 1.00 0.00 +ATOM 52 HE1 PHE 3 41.725 43.814 20.774 1.00 0.00 +ATOM 53 CZ PHE 3 42.885 42.734 22.144 1.00 0.00 +ATOM 54 HZ PHE 3 43.465 43.504 22.424 1.00 0.00 +ATOM 55 CE2 PHE 3 43.115 41.454 22.654 1.00 0.00 +ATOM 56 HE2 PHE 3 43.905 41.284 23.244 1.00 0.00 +ATOM 57 CD2 PHE 3 42.245 40.424 22.344 1.00 0.00 +ATOM 58 HD2 PHE 3 42.375 39.524 22.764 1.00 0.00 +ATOM 59 C PHE 3 39.985 37.304 20.044 1.00 0.00 +ATOM 60 O PHE 3 38.765 37.024 19.954 1.00 0.00 +ATOM 61 N GLY 4 40.965 36.504 20.484 1.00 0.00 +ATOM 62 H GLY 4 41.915 36.814 20.494 1.00 0.00 +ATOM 63 CA GLY 4 40.615 35.144 20.944 1.00 0.00 +ATOM 64 HA1 GLY 4 41.405 34.544 20.874 1.00 0.00 +ATOM 65 HA2 GLY 4 39.865 34.784 20.384 1.00 0.00 +ATOM 66 C GLY 4 40.165 35.284 22.394 1.00 0.00 +ATOM 67 O GLY 4 40.545 36.264 23.034 1.00 0.00 +ATOM 68 N ARG 5 39.295 34.404 22.844 1.00 0.00 +ATOM 69 H ARG 5 38.955 33.704 22.214 1.00 0.00 +ATOM 70 CA ARG 5 38.805 34.404 24.224 1.00 0.00 +ATOM 71 HA ARG 5 38.225 35.204 24.294 1.00 0.00 +ATOM 72 CB ARG 5 38.005 33.124 24.484 1.00 0.00 +ATOM 73 HB1 ARG 5 38.605 32.334 24.344 1.00 0.00 +ATOM 74 HB2 ARG 5 37.245 33.084 23.844 1.00 0.00 +ATOM 75 CG ARG 5 37.455 33.064 25.894 1.00 0.00 +ATOM 76 HG1 ARG 5 36.895 33.874 26.064 1.00 0.00 +ATOM 77 HG2 ARG 5 38.215 33.034 26.544 1.00 0.00 +ATOM 78 CD ARG 5 36.625 31.864 26.094 1.00 0.00 +ATOM 79 HD1 ARG 5 35.845 31.914 25.464 1.00 0.00 +ATOM 80 HD2 ARG 5 36.285 31.854 27.034 1.00 0.00 +ATOM 81 NE ARG 5 37.305 30.614 25.854 1.00 0.00 +ATOM 82 HE ARG 5 37.265 30.264 24.924 1.00 0.00 +ATOM 83 CZ ARG 5 37.975 29.874 26.714 1.00 0.00 +ATOM 84 NH1 ARG 5 38.085 30.194 28.004 1.00 0.00 +ATOM 85 HH11 ARG 5 37.635 31.024 28.344 1.00 0.00 +ATOM 86 HH12 ARG 5 38.605 29.614 28.624 1.00 0.00 +ATOM 87 NH2 ARG 5 38.495 28.704 26.284 1.00 0.00 +ATOM 88 HH21 ARG 5 38.355 28.414 25.344 1.00 0.00 +ATOM 89 HH22 ARG 5 39.005 28.124 26.914 1.00 0.00 +ATOM 90 C ARG 5 39.915 34.594 25.254 1.00 0.00 +ATOM 91 O ARG 5 39.915 35.514 26.114 1.00 0.00 +ATOM 92 N CYS 6 40.915 33.714 25.204 1.00 0.00 +ATOM 93 H CYS 6 40.915 33.024 24.484 1.00 0.00 +ATOM 94 CA CYS 6 42.025 33.734 26.164 1.00 0.00 +ATOM 95 HA CYS 6 41.555 33.884 27.034 1.00 0.00 +ATOM 96 CB CYS 6 42.735 32.394 26.194 1.00 0.00 +ATOM 97 HB1 CYS 6 43.585 32.584 26.684 1.00 0.00 +ATOM 98 HB2 CYS 6 42.945 32.204 25.234 1.00 0.00 +ATOM 99 SG CYS 6 41.785 31.064 26.954 1.00 0.00 +ATOM 100 C CYS 6 42.995 34.914 26.034 1.00 0.00 +ATOM 101 O CYS 6 43.395 35.474 27.074 1.00 0.00 +ATOM 102 N GLU 7 43.105 35.344 24.794 1.00 0.00 +ATOM 103 H GLU 7 42.645 34.864 24.054 1.00 0.00 +ATOM 104 CA GLU 7 43.925 36.554 24.504 1.00 0.00 +ATOM 105 HA GLU 7 44.845 36.414 24.884 1.00 0.00 +ATOM 106 CB GLU 7 44.025 36.714 22.994 1.00 0.00 +ATOM 107 HB1 GLU 7 43.095 36.754 22.644 1.00 0.00 +ATOM 108 HB2 GLU 7 44.475 35.884 22.644 1.00 0.00 +ATOM 109 CG GLU 7 44.785 37.914 22.434 1.00 0.00 +ATOM 110 HG1 GLU 7 45.735 37.844 22.744 1.00 0.00 +ATOM 111 HG2 GLU 7 44.375 38.734 22.824 1.00 0.00 +ATOM 112 CD GLU 7 44.825 38.104 20.944 1.00 0.00 +ATOM 113 OE1 GLU 7 43.915 37.504 20.324 1.00 0.00 +ATOM 114 OE2 GLU 7 45.665 38.814 20.434 1.00 0.00 +ATOM 115 C GLU 7 43.295 37.794 25.154 1.00 0.00 +ATOM 116 O GLU 7 43.985 38.594 25.804 1.00 0.00 +ATOM 117 N LEU 8 41.985 37.914 24.994 1.00 0.00 +ATOM 118 H LEU 8 41.505 37.214 24.464 1.00 0.00 +ATOM 119 CA LEU 8 41.205 39.024 25.564 1.00 0.00 +ATOM 120 HA LEU 8 41.645 39.874 25.254 1.00 0.00 +ATOM 121 CB LEU 8 39.775 39.034 25.004 1.00 0.00 +ATOM 122 HB1 LEU 8 39.305 38.194 25.284 1.00 0.00 +ATOM 123 HB2 LEU 8 39.815 39.084 24.004 1.00 0.00 +ATOM 124 CG LEU 8 38.965 40.214 25.504 1.00 0.00 +ATOM 125 HG LEU 8 39.025 40.284 26.504 1.00 0.00 +ATOM 126 CD1 LEU 8 39.545 41.524 24.974 1.00 0.00 +ATOM 127 HD11 LEU 8 39.005 42.294 25.314 1.00 0.00 +ATOM 128 HD12 LEU 8 40.485 41.614 25.284 1.00 0.00 +ATOM 129 HD13 LEU 8 39.515 41.514 23.974 1.00 0.00 +ATOM 130 CD2 LEU 8 37.495 40.004 25.214 1.00 0.00 +ATOM 131 HD21 LEU 8 36.965 40.794 25.554 1.00 0.00 +ATOM 132 HD22 LEU 8 37.355 39.914 24.234 1.00 0.00 +ATOM 133 HD23 LEU 8 37.175 39.174 25.674 1.00 0.00 +ATOM 134 C LEU 8 41.295 38.994 27.084 1.00 0.00 +ATOM 135 O LEU 8 41.405 40.034 27.734 1.00 0.00 +ATOM 136 N ALA 9 40.995 37.844 27.644 1.00 0.00 +ATOM 137 H ALA 9 40.705 37.084 27.054 1.00 0.00 +ATOM 138 CA ALA 9 41.085 37.624 29.094 1.00 0.00 +ATOM 139 HA ALA 9 40.325 38.124 29.504 1.00 0.00 +ATOM 140 CB ALA 9 40.905 36.154 29.434 1.00 0.00 +ATOM 141 HB1 ALA 9 40.965 36.024 30.424 1.00 0.00 +ATOM 142 HB2 ALA 9 40.005 35.844 29.114 1.00 0.00 +ATOM 143 HB3 ALA 9 41.615 35.614 28.994 1.00 0.00 +ATOM 144 C ALA 9 42.385 38.174 29.654 1.00 0.00 +ATOM 145 O ALA 9 42.395 38.844 30.714 1.00 0.00 +ATOM 146 N ALA 10 43.515 37.844 29.014 1.00 0.00 +ATOM 147 H ALA 10 43.445 37.254 28.214 1.00 0.00 +ATOM 148 CA ALA 10 44.855 38.294 29.434 1.00 0.00 +ATOM 149 HA ALA 10 44.935 38.054 30.394 1.00 0.00 +ATOM 150 CB ALA 10 45.955 37.574 28.654 1.00 0.00 +ATOM 151 HB1 ALA 10 46.845 37.894 28.964 1.00 0.00 +ATOM 152 HB2 ALA 10 45.885 36.584 28.824 1.00 0.00 +ATOM 153 HB3 ALA 10 45.845 37.754 27.674 1.00 0.00 +ATOM 154 C ALA 10 44.985 39.804 29.274 1.00 0.00 +ATOM 155 O ALA 10 45.435 40.364 30.284 1.00 0.00 +ATOM 156 N ALA 11 44.475 40.384 28.204 1.00 0.00 +ATOM 157 H ALA 11 44.055 39.814 27.484 1.00 0.00 +ATOM 158 CA ALA 11 44.505 41.844 28.034 1.00 0.00 +ATOM 159 HA ALA 11 45.475 42.094 28.144 1.00 0.00 +ATOM 160 CB ALA 11 44.115 42.284 26.634 1.00 0.00 +ATOM 161 HB1 ALA 11 44.155 43.284 26.574 1.00 0.00 +ATOM 162 HB2 ALA 11 44.745 41.884 25.974 1.00 0.00 +ATOM 163 HB3 ALA 11 43.185 41.974 26.444 1.00 0.00 +ATOM 164 C ALA 11 43.735 42.564 29.134 1.00 0.00 +ATOM 165 O ALA 11 44.195 43.524 29.764 1.00 0.00 +ATOM 166 N MET 12 42.535 42.074 29.404 1.00 0.00 +ATOM 167 H MET 12 42.215 41.284 28.884 1.00 0.00 +ATOM 168 CA MET 12 41.645 42.644 30.424 1.00 0.00 +ATOM 169 HA MET 12 41.585 43.614 30.204 1.00 0.00 +ATOM 170 CB MET 12 40.235 42.074 30.334 1.00 0.00 +ATOM 171 HB1 MET 12 39.705 42.364 31.124 1.00 0.00 +ATOM 172 HB2 MET 12 40.285 41.074 30.294 1.00 0.00 +ATOM 173 CG MET 12 39.565 42.584 29.084 1.00 0.00 +ATOM 174 HG1 MET 12 40.145 42.304 28.314 1.00 0.00 +ATOM 175 HG2 MET 12 39.565 43.584 29.144 1.00 0.00 +ATOM 176 SD MET 12 37.875 41.854 29.044 1.00 0.00 +ATOM 177 CE MET 12 37.035 43.004 27.954 1.00 0.00 +ATOM 178 HE1 MET 12 36.085 42.714 27.844 1.00 0.00 +ATOM 179 HE2 MET 12 37.065 43.914 28.344 1.00 0.00 +ATOM 180 HE3 MET 12 37.485 43.004 27.064 1.00 0.00 +ATOM 181 C MET 12 42.235 42.584 31.824 1.00 0.00 +ATOM 182 O MET 12 42.155 43.504 32.654 1.00 0.00 +ATOM 183 N LYS 13 42.935 41.494 32.124 1.00 0.00 +ATOM 184 H LYS 13 42.985 40.774 31.434 1.00 0.00 +ATOM 185 CA LYS 13 43.635 41.254 33.394 1.00 0.00 +ATOM 186 HA LYS 13 42.995 41.324 34.164 1.00 0.00 +ATOM 187 CB LYS 13 44.175 39.814 33.384 1.00 0.00 +ATOM 188 HB1 LYS 13 44.765 39.714 32.584 1.00 0.00 +ATOM 189 HB2 LYS 13 43.405 39.184 33.314 1.00 0.00 +ATOM 190 CG LYS 13 44.985 39.414 34.614 1.00 0.00 +ATOM 191 HG1 LYS 13 45.335 40.254 35.044 1.00 0.00 +ATOM 192 HG2 LYS 13 45.755 38.854 34.314 1.00 0.00 +ATOM 193 CD LYS 13 44.215 38.644 35.644 1.00 0.00 +ATOM 194 HD1 LYS 13 43.235 38.774 35.494 1.00 0.00 +ATOM 195 HD2 LYS 13 44.465 38.974 36.554 1.00 0.00 +ATOM 196 CE LYS 13 44.535 37.174 35.564 1.00 0.00 +ATOM 197 HE1 LYS 13 45.205 36.934 36.274 1.00 0.00 +ATOM 198 HE2 LYS 13 44.925 36.964 34.664 1.00 0.00 +ATOM 199 NZ LYS 13 43.325 36.324 35.764 1.00 0.00 +ATOM 200 HZ1 LYS 13 43.575 35.364 35.694 1.00 0.00 +ATOM 201 HZ2 LYS 13 42.925 36.514 36.664 1.00 0.00 +ATOM 202 HZ3 LYS 13 42.645 36.544 35.054 1.00 0.00 +ATOM 203 C LYS 13 44.705 42.334 33.544 1.00 0.00 +ATOM 204 O LYS 13 44.755 43.004 34.594 1.00 0.00 +ATOM 205 N ARG 14 45.515 42.494 32.504 1.00 0.00 +ATOM 206 H ARG 14 45.355 41.954 31.674 1.00 0.00 +ATOM 207 CA ARG 14 46.635 43.444 32.524 1.00 0.00 +ATOM 208 HA ARG 14 47.135 43.214 33.364 1.00 0.00 +ATOM 209 CB ARG 14 47.635 43.214 31.414 1.00 0.00 +ATOM 210 HB1 ARG 14 47.635 42.234 31.214 1.00 0.00 +ATOM 211 HB2 ARG 14 48.525 43.484 31.764 1.00 0.00 +ATOM 212 CG ARG 14 47.415 43.944 30.104 1.00 0.00 +ATOM 213 HG1 ARG 14 47.145 44.884 30.284 1.00 0.00 +ATOM 214 HG2 ARG 14 46.695 43.484 29.584 1.00 0.00 +ATOM 215 CD ARG 14 48.685 43.934 29.304 1.00 0.00 +ATOM 216 HD1 ARG 14 49.455 44.234 29.874 1.00 0.00 +ATOM 217 HD2 ARG 14 48.605 44.554 28.524 1.00 0.00 +ATOM 218 NE ARG 14 48.935 42.574 28.824 1.00 0.00 +ATOM 219 HE ARG 14 49.545 41.974 29.344 1.00 0.00 +ATOM 220 CZ ARG 14 48.345 42.124 27.704 1.00 0.00 +ATOM 221 NH1 ARG 14 47.935 43.054 26.834 1.00 0.00 +ATOM 222 HH11 ARG 14 48.085 44.024 27.034 1.00 0.00 +ATOM 223 HH12 ARG 14 47.495 42.774 25.984 1.00 0.00 +ATOM 224 NH2 ARG 14 48.195 40.824 27.504 1.00 0.00 +ATOM 225 HH21 ARG 14 48.525 40.164 28.184 1.00 0.00 +ATOM 226 HH22 ARG 14 47.755 40.494 26.664 1.00 0.00 +ATOM 227 C ARG 14 46.175 44.884 32.694 1.00 0.00 +ATOM 228 O ARG 14 46.805 45.694 33.394 1.00 0.00 +ATOM 229 N HIS 15 44.925 45.114 32.274 1.00 0.00 +ATOM 230 H HIS 15 44.385 44.354 31.914 1.00 0.00 +ATOM 231 CA HIS 15 44.325 46.454 32.344 1.00 0.00 +ATOM 232 HA HIS 15 45.125 47.054 32.354 1.00 0.00 +ATOM 233 CB HIS 15 43.465 46.784 31.094 1.00 0.00 +ATOM 234 HB1 HIS 15 42.815 47.504 31.314 1.00 0.00 +ATOM 235 HB2 HIS 15 42.975 45.964 30.794 1.00 0.00 +ATOM 236 CG HIS 15 44.325 47.254 29.984 1.00 0.00 +ATOM 237 ND1 HIS 15 44.705 46.504 28.904 1.00 0.00 +ATOM 238 CE1 HIS 15 45.455 47.174 28.074 1.00 0.00 +ATOM 239 HE1 HIS 15 45.735 46.904 27.154 1.00 0.00 +ATOM 240 NE2 HIS 15 45.765 48.284 28.704 1.00 0.00 +ATOM 241 HE2 HIS 15 46.485 48.924 28.414 1.00 0.00 +ATOM 242 CD2 HIS 15 44.985 48.434 29.804 1.00 0.00 +ATOM 243 HD2 HIS 15 44.905 49.254 30.374 1.00 0.00 +ATOM 244 C HIS 15 43.555 46.724 33.624 1.00 0.00 +ATOM 245 O HIS 15 42.855 47.744 33.764 1.00 0.00 +ATOM 246 N GLY 16 43.545 45.794 34.534 1.00 0.00 +ATOM 247 H GLY 16 43.935 44.914 34.274 1.00 0.00 +ATOM 248 CA GLY 16 43.005 45.884 35.884 1.00 0.00 +ATOM 249 HA1 GLY 16 43.235 46.804 36.214 1.00 0.00 +ATOM 250 HA2 GLY 16 43.495 45.204 36.434 1.00 0.00 +ATOM 251 C GLY 16 41.505 45.664 36.024 1.00 0.00 +ATOM 252 O GLY 16 40.895 46.264 36.944 1.00 0.00 +ATOM 253 N LEU 17 40.905 44.934 35.084 1.00 0.00 +ATOM 254 H LEU 17 41.465 44.564 34.344 1.00 0.00 +ATOM 255 CA LEU 17 39.485 44.664 35.114 1.00 0.00 +ATOM 256 HA LEU 17 39.105 45.504 35.504 1.00 0.00 +ATOM 257 CB LEU 17 38.895 44.514 33.714 1.00 0.00 +ATOM 258 HB1 LEU 17 37.995 44.084 33.814 1.00 0.00 +ATOM 259 HB2 LEU 17 39.495 43.904 33.204 1.00 0.00 +ATOM 260 CG LEU 17 38.695 45.754 32.874 1.00 0.00 +ATOM 261 HG LEU 17 39.575 46.224 32.794 1.00 0.00 +ATOM 262 CD1 LEU 17 38.175 45.284 31.514 1.00 0.00 +ATOM 263 HD11 LEU 17 38.035 46.074 30.924 1.00 0.00 +ATOM 264 HD12 LEU 17 38.845 44.674 31.104 1.00 0.00 +ATOM 265 HD13 LEU 17 37.315 44.794 31.644 1.00 0.00 +ATOM 266 CD2 LEU 17 37.805 46.814 33.494 1.00 0.00 +ATOM 267 HD21 LEU 17 37.725 47.594 32.874 1.00 0.00 +ATOM 268 HD22 LEU 17 36.895 46.424 33.654 1.00 0.00 +ATOM 269 HD23 LEU 17 38.195 47.114 34.364 1.00 0.00 +ATOM 270 C LEU 17 39.095 43.544 36.084 1.00 0.00 +ATOM 271 O LEU 17 37.885 43.454 36.364 1.00 0.00 +ATOM 272 N ASP 18 40.025 42.674 36.424 1.00 0.00 +ATOM 273 H ASP 18 40.955 42.774 36.044 1.00 0.00 +ATOM 274 CA ASP 18 39.735 41.584 37.344 1.00 0.00 +ATOM 275 HA ASP 18 38.965 41.144 36.884 1.00 0.00 +ATOM 276 CB ASP 18 40.805 40.494 37.414 1.00 0.00 +ATOM 277 HB1 ASP 18 41.595 40.844 37.914 1.00 0.00 +ATOM 278 HB2 ASP 18 41.075 40.244 36.484 1.00 0.00 +ATOM 279 CG ASP 18 40.265 39.274 38.124 1.00 0.00 +ATOM 280 OD1 ASP 18 39.055 39.014 38.264 1.00 0.00 +ATOM 281 OD2 ASP 18 41.165 38.464 38.474 1.00 0.00 +ATOM 282 C ASP 18 39.255 42.084 38.714 1.00 0.00 +ATOM 283 O ASP 18 40.075 42.644 39.474 1.00 0.00 +ATOM 284 N ASN 19 37.995 41.854 39.014 1.00 0.00 +ATOM 285 H ASN 19 37.435 41.354 38.364 1.00 0.00 +ATOM 286 CA ASN 19 37.365 42.294 40.264 1.00 0.00 +ATOM 287 HA ASN 19 36.535 41.754 40.154 1.00 0.00 +ATOM 288 CB ASN 19 38.015 41.864 41.584 1.00 0.00 +ATOM 289 HB1 ASN 19 38.965 42.174 41.564 1.00 0.00 +ATOM 290 HB2 ASN 19 37.985 40.874 41.624 1.00 0.00 +ATOM 291 CG ASN 19 37.405 42.374 42.874 1.00 0.00 +ATOM 292 OD1 ASN 19 36.215 42.134 43.164 1.00 0.00 +ATOM 293 ND2 ASN 19 38.095 43.224 43.664 1.00 0.00 +ATOM 294 HD21 ASN 19 39.005 43.524 43.404 1.00 0.00 +ATOM 295 HD22 ASN 19 37.685 43.554 44.514 1.00 0.00 +ATOM 296 C ASN 19 37.095 43.804 40.314 1.00 0.00 +ATOM 297 O ASN 19 36.675 44.264 41.384 1.00 0.00 +ATOM 298 N TYR 20 37.215 44.514 39.224 1.00 0.00 +ATOM 299 H TYR 20 37.485 44.064 38.364 1.00 0.00 +ATOM 300 CA TYR 20 36.955 45.964 39.224 1.00 0.00 +ATOM 301 HA TYR 20 37.545 46.364 39.924 1.00 0.00 +ATOM 302 CB TYR 20 37.315 46.604 37.884 1.00 0.00 +ATOM 303 HB1 TYR 20 36.655 46.314 37.194 1.00 0.00 +ATOM 304 HB2 TYR 20 38.225 46.294 37.614 1.00 0.00 +ATOM 305 CG TYR 20 37.305 48.114 37.954 1.00 0.00 +ATOM 306 CD1 TYR 20 38.385 48.754 38.574 1.00 0.00 +ATOM 307 HD1 TYR 20 39.115 48.204 38.994 1.00 0.00 +ATOM 308 CE1 TYR 20 38.455 50.144 38.604 1.00 0.00 +ATOM 309 HE1 TYR 20 39.285 50.604 38.924 1.00 0.00 +ATOM 310 CZ TYR 20 37.345 50.884 38.194 1.00 0.00 +ATOM 311 OH TYR 20 37.385 52.234 38.344 1.00 0.00 +ATOM 312 HH TYR 20 36.525 52.624 38.004 1.00 0.00 +ATOM 313 CE2 TYR 20 36.265 50.264 37.594 1.00 0.00 +ATOM 314 HE2 TYR 20 35.515 50.814 37.224 1.00 0.00 +ATOM 315 CD2 TYR 20 36.225 48.864 37.504 1.00 0.00 +ATOM 316 HD2 TYR 20 35.425 48.414 37.114 1.00 0.00 +ATOM 317 C TYR 20 35.475 46.204 39.574 1.00 0.00 +ATOM 318 O TYR 20 34.535 45.734 38.934 1.00 0.00 +ATOM 319 N ARG 21 35.335 47.004 40.614 1.00 0.00 +ATOM 320 H ARG 21 36.155 47.344 41.074 1.00 0.00 +ATOM 321 CA ARG 21 34.015 47.414 41.134 1.00 0.00 +ATOM 322 HA ARG 21 34.215 47.914 41.974 1.00 0.00 +ATOM 323 CB ARG 21 33.255 48.434 40.264 1.00 0.00 +ATOM 324 HB1 ARG 21 32.295 48.424 40.544 1.00 0.00 +ATOM 325 HB2 ARG 21 33.325 48.134 39.314 1.00 0.00 +ATOM 326 CG ARG 21 33.755 49.854 40.354 1.00 0.00 +ATOM 327 HG1 ARG 21 33.395 50.354 39.554 1.00 0.00 +ATOM 328 HG2 ARG 21 34.755 49.844 40.314 1.00 0.00 +ATOM 329 CD ARG 21 33.355 50.614 41.584 1.00 0.00 +ATOM 330 HD1 ARG 21 32.935 50.014 42.254 1.00 0.00 +ATOM 331 HD2 ARG 21 32.715 51.354 41.354 1.00 0.00 +ATOM 332 NE ARG 21 34.565 51.184 42.134 1.00 0.00 +ATOM 333 HE ARG 21 34.785 50.774 43.024 1.00 0.00 +ATOM 334 CZ ARG 21 35.465 52.094 41.794 1.00 0.00 +ATOM 335 NH1 ARG 21 36.745 51.724 41.664 1.00 0.00 +ATOM 336 HH11 ARG 21 37.005 50.764 41.824 1.00 0.00 +ATOM 337 HH12 ARG 21 37.445 52.394 41.404 1.00 0.00 +ATOM 338 NH2 ARG 21 35.185 53.304 41.304 1.00 0.00 +ATOM 339 HH21 ARG 21 34.235 53.584 41.184 1.00 0.00 +ATOM 340 HH22 ARG 21 35.925 53.924 41.074 1.00 0.00 +ATOM 341 C ARG 21 33.205 46.174 41.434 1.00 0.00 +ATOM 342 O ARG 21 31.975 46.194 41.424 1.00 0.00 +ATOM 343 N GLY 22 33.935 45.114 41.814 1.00 0.00 +ATOM 344 H GLY 22 34.925 45.164 41.734 1.00 0.00 +ATOM 345 CA GLY 22 33.345 43.884 42.334 1.00 0.00 +ATOM 346 HA1 GLY 22 32.525 44.134 42.834 1.00 0.00 +ATOM 347 HA2 GLY 22 34.015 43.474 42.964 1.00 0.00 +ATOM 348 C GLY 22 32.995 42.884 41.254 1.00 0.00 +ATOM 349 O GLY 22 32.325 41.884 41.594 1.00 0.00 +ATOM 350 N TYR 23 33.455 43.094 40.034 1.00 0.00 +ATOM 351 H TYR 23 34.035 43.894 39.854 1.00 0.00 +ATOM 352 CA TYR 23 33.135 42.184 38.924 1.00 0.00 +ATOM 353 HA TYR 23 32.445 41.564 39.314 1.00 0.00 +ATOM 354 CB TYR 23 32.595 42.974 37.724 1.00 0.00 +ATOM 355 HB1 TYR 23 32.515 42.354 36.944 1.00 0.00 +ATOM 356 HB2 TYR 23 33.245 43.694 37.514 1.00 0.00 +ATOM 357 CG TYR 23 31.245 43.604 37.944 1.00 0.00 +ATOM 358 CD1 TYR 23 30.095 42.824 37.954 1.00 0.00 +ATOM 359 HD1 TYR 23 30.155 41.844 37.754 1.00 0.00 +ATOM 360 CE1 TYR 23 28.845 43.384 38.234 1.00 0.00 +ATOM 361 HE1 TYR 23 28.025 42.814 38.234 1.00 0.00 +ATOM 362 CZ TYR 23 28.765 44.744 38.514 1.00 0.00 +ATOM 363 OH TYR 23 27.535 45.304 38.724 1.00 0.00 +ATOM 364 HH TYR 23 27.635 46.274 38.914 1.00 0.00 +ATOM 365 CE2 TYR 23 29.895 45.534 38.544 1.00 0.00 +ATOM 366 HE2 TYR 23 29.825 46.514 38.744 1.00 0.00 +ATOM 367 CD2 TYR 23 31.145 44.964 38.274 1.00 0.00 +ATOM 368 HD2 TYR 23 31.965 45.524 38.314 1.00 0.00 +ATOM 369 C TYR 23 34.365 41.394 38.444 1.00 0.00 +ATOM 370 O TYR 23 35.285 42.054 37.954 1.00 0.00 +ATOM 371 N SER 24 34.275 40.084 38.624 1.00 0.00 +ATOM 372 H SER 24 33.445 39.694 39.034 1.00 0.00 +ATOM 373 CA SER 24 35.385 39.214 38.224 1.00 0.00 +ATOM 374 HA SER 24 36.195 39.574 38.684 1.00 0.00 +ATOM 375 CB SER 24 35.165 37.794 38.724 1.00 0.00 +ATOM 376 HB1 SER 24 35.015 37.794 39.714 1.00 0.00 +ATOM 377 HB2 SER 24 35.955 37.224 38.504 1.00 0.00 +ATOM 378 OG SER 24 34.045 37.204 38.124 1.00 0.00 +ATOM 379 HG SER 24 33.935 36.274 38.474 1.00 0.00 +ATOM 380 C SER 24 35.605 39.244 36.704 1.00 0.00 +ATOM 381 O SER 24 34.685 39.554 35.954 1.00 0.00 +ATOM 382 N LEU 25 36.835 38.894 36.354 1.00 0.00 +ATOM 383 H LEU 25 37.475 38.574 37.054 1.00 0.00 +ATOM 384 CA LEU 25 37.285 38.954 34.954 1.00 0.00 +ATOM 385 HA LEU 25 37.325 39.914 34.684 1.00 0.00 +ATOM 386 CB LEU 25 38.655 38.274 34.894 1.00 0.00 +ATOM 387 HB1 LEU 25 38.555 37.314 35.154 1.00 0.00 +ATOM 388 HB2 LEU 25 39.275 38.724 35.534 1.00 0.00 +ATOM 389 CG LEU 25 39.255 38.344 33.504 1.00 0.00 +ATOM 390 HG LEU 25 38.665 37.884 32.834 1.00 0.00 +ATOM 391 CD1 LEU 25 39.415 39.794 33.104 1.00 0.00 +ATOM 392 HD11 LEU 25 39.815 39.844 32.184 1.00 0.00 +ATOM 393 HD12 LEU 25 38.525 40.234 33.104 1.00 0.00 +ATOM 394 HD13 LEU 25 40.025 40.254 33.754 1.00 0.00 +ATOM 395 CD2 LEU 25 40.645 37.674 33.564 1.00 0.00 +ATOM 396 HD21 LEU 25 41.065 37.704 32.664 1.00 0.00 +ATOM 397 HD22 LEU 25 41.215 38.164 34.224 1.00 0.00 +ATOM 398 HD23 LEU 25 40.545 36.724 33.854 1.00 0.00 +ATOM 399 C LEU 25 36.275 38.304 33.994 1.00 0.00 +ATOM 400 O LEU 25 36.115 38.784 32.874 1.00 0.00 +ATOM 401 N GLY 26 35.745 37.144 34.394 1.00 0.00 +ATOM 402 H GLY 26 36.015 36.764 35.274 1.00 0.00 +ATOM 403 CA GLY 26 34.785 36.424 33.574 1.00 0.00 +ATOM 404 HA1 GLY 26 34.455 35.654 34.114 1.00 0.00 +ATOM 405 HA2 GLY 26 35.285 36.084 32.774 1.00 0.00 +ATOM 406 C GLY 26 33.585 37.244 33.094 1.00 0.00 +ATOM 407 O GLY 26 33.135 37.114 31.934 1.00 0.00 +ATOM 408 N ASN 27 33.145 38.144 33.974 1.00 0.00 +ATOM 409 H ASN 27 33.575 38.174 34.874 1.00 0.00 +ATOM 410 CA ASN 27 32.075 39.094 33.674 1.00 0.00 +ATOM 411 HA ASN 27 31.265 38.534 33.494 1.00 0.00 +ATOM 412 CB ASN 27 31.725 39.994 34.864 1.00 0.00 +ATOM 413 HB1 ASN 27 31.185 40.774 34.564 1.00 0.00 +ATOM 414 HB2 ASN 27 32.565 40.324 35.304 1.00 0.00 +ATOM 415 CG ASN 27 30.925 39.134 35.864 1.00 0.00 +ATOM 416 OD1 ASN 27 29.755 38.794 35.634 1.00 0.00 +ATOM 417 ND2 ASN 27 31.595 38.914 36.984 1.00 0.00 +ATOM 418 HD21 ASN 27 32.505 39.294 37.104 1.00 0.00 +ATOM 419 HD22 ASN 27 31.185 38.374 37.714 1.00 0.00 +ATOM 420 C ASN 27 32.405 39.874 32.414 1.00 0.00 +ATOM 421 O ASN 27 31.565 40.074 31.534 1.00 0.00 +ATOM 422 N TRP 28 33.585 40.454 32.394 1.00 0.00 +ATOM 423 H TRP 28 34.205 40.284 33.164 1.00 0.00 +ATOM 424 CA TRP 28 34.075 41.334 31.324 1.00 0.00 +ATOM 425 HA TRP 28 33.405 42.054 31.134 1.00 0.00 +ATOM 426 CB TRP 28 35.345 42.004 31.834 1.00 0.00 +ATOM 427 HB1 TRP 28 35.705 42.604 31.114 1.00 0.00 +ATOM 428 HB2 TRP 28 36.025 41.294 32.044 1.00 0.00 +ATOM 429 CG TRP 28 35.185 42.844 33.064 1.00 0.00 +ATOM 430 CD1 TRP 28 35.425 42.484 34.364 1.00 0.00 +ATOM 431 HD1 TRP 28 35.735 41.584 34.664 1.00 0.00 +ATOM 432 NE1 TRP 28 35.165 43.554 35.174 1.00 0.00 +ATOM 433 HE1 TRP 28 35.385 43.594 36.154 1.00 0.00 +ATOM 434 CE2 TRP 28 34.585 44.544 34.454 1.00 0.00 +ATOM 435 CZ2 TRP 28 34.155 45.804 34.854 1.00 0.00 +ATOM 436 HZ2 TRP 28 34.195 46.104 35.804 1.00 0.00 +ATOM 437 CH2 TRP 28 33.675 46.634 33.834 1.00 0.00 +ATOM 438 HH2 TRP 28 33.335 47.534 34.094 1.00 0.00 +ATOM 439 CZ3 TRP 28 33.645 46.264 32.494 1.00 0.00 +ATOM 440 HZ3 TRP 28 33.265 46.894 31.814 1.00 0.00 +ATOM 441 CE3 TRP 28 34.135 45.034 32.114 1.00 0.00 +ATOM 442 HE3 TRP 28 34.195 44.784 31.144 1.00 0.00 +ATOM 443 CD2 TRP 28 34.565 44.144 33.104 1.00 0.00 +ATOM 444 C TRP 28 34.185 40.604 29.994 1.00 0.00 +ATOM 445 O TRP 28 33.985 41.184 28.904 1.00 0.00 +ATOM 446 N VAL 29 34.815 39.404 30.074 1.00 0.00 +ATOM 447 H VAL 29 35.175 39.084 30.954 1.00 0.00 +ATOM 448 CA VAL 29 34.975 38.574 28.864 1.00 0.00 +ATOM 449 HA VAL 29 35.415 39.154 28.174 1.00 0.00 +ATOM 450 CB VAL 29 35.895 37.354 29.174 1.00 0.00 +ATOM 451 HB VAL 29 35.525 36.784 29.904 1.00 0.00 +ATOM 452 CG1 VAL 29 36.025 36.464 27.954 1.00 0.00 +ATOM 453 HG11 VAL 29 36.615 35.684 28.164 1.00 0.00 +ATOM 454 HG12 VAL 29 35.125 36.124 27.684 1.00 0.00 +ATOM 455 HG13 VAL 29 36.425 36.984 27.194 1.00 0.00 +ATOM 456 CG2 VAL 29 37.255 37.914 29.584 1.00 0.00 +ATOM 457 HG21 VAL 29 37.875 37.154 29.794 1.00 0.00 +ATOM 458 HG22 VAL 29 37.635 38.454 28.834 1.00 0.00 +ATOM 459 HG23 VAL 29 37.145 38.494 30.394 1.00 0.00 +ATOM 460 C VAL 29 33.625 38.204 28.244 1.00 0.00 +ATOM 461 O VAL 29 33.415 38.364 27.044 1.00 0.00 +ATOM 462 N CYS 30 32.745 37.774 29.114 1.00 0.00 +ATOM 463 H CYS 30 33.045 37.664 30.064 1.00 0.00 +ATOM 464 CA CYS 30 31.365 37.434 28.804 1.00 0.00 +ATOM 465 HA CYS 30 31.445 36.664 28.174 1.00 0.00 +ATOM 466 CB CYS 30 30.585 36.914 29.984 1.00 0.00 +ATOM 467 HB1 CYS 30 30.515 37.694 30.604 1.00 0.00 +ATOM 468 HB2 CYS 30 31.185 36.224 30.394 1.00 0.00 +ATOM 469 SG CYS 30 28.965 36.244 29.504 1.00 0.00 +ATOM 470 C CYS 30 30.635 38.584 28.114 1.00 0.00 +ATOM 471 O CYS 30 30.135 38.384 26.984 1.00 0.00 +ATOM 472 N ALA 31 30.775 39.774 28.684 1.00 0.00 +ATOM 473 H ALA 31 31.305 39.844 29.534 1.00 0.00 +ATOM 474 CA ALA 31 30.195 40.994 28.124 1.00 0.00 +ATOM 475 HA ALA 31 29.205 40.834 28.094 1.00 0.00 +ATOM 476 CB ALA 31 30.415 42.194 29.014 1.00 0.00 +ATOM 477 HB1 ALA 31 29.995 43.004 28.594 1.00 0.00 +ATOM 478 HB2 ALA 31 29.985 42.034 29.904 1.00 0.00 +ATOM 479 HB3 ALA 31 31.395 42.354 29.134 1.00 0.00 +ATOM 480 C ALA 31 30.735 41.214 26.694 1.00 0.00 +ATOM 481 O ALA 31 29.915 41.554 25.814 1.00 0.00 +ATOM 482 N ALA 32 32.055 41.214 26.524 1.00 0.00 +ATOM 483 H ALA 32 32.635 41.084 27.334 1.00 0.00 +ATOM 484 CA ALA 32 32.705 41.404 25.234 1.00 0.00 +ATOM 485 HA ALA 32 32.445 42.314 24.914 1.00 0.00 +ATOM 486 CB ALA 32 34.225 41.344 25.414 1.00 0.00 +ATOM 487 HB1 ALA 32 34.675 41.464 24.534 1.00 0.00 +ATOM 488 HB2 ALA 32 34.515 42.064 26.044 1.00 0.00 +ATOM 489 HB3 ALA 32 34.485 40.454 25.794 1.00 0.00 +ATOM 490 C ALA 32 32.185 40.404 24.194 1.00 0.00 +ATOM 491 O ALA 32 32.015 40.724 23.024 1.00 0.00 +ATOM 492 N LYS 33 31.975 39.164 24.624 1.00 0.00 +ATOM 493 H LYS 33 32.155 38.964 25.584 1.00 0.00 +ATOM 494 CA LYS 33 31.505 38.084 23.774 1.00 0.00 +ATOM 495 HA LYS 33 32.215 38.024 23.074 1.00 0.00 +ATOM 496 CB LYS 33 31.465 36.724 24.464 1.00 0.00 +ATOM 497 HB1 LYS 33 30.885 36.814 25.274 1.00 0.00 +ATOM 498 HB2 LYS 33 32.395 36.504 24.744 1.00 0.00 +ATOM 499 CG LYS 33 30.945 35.564 23.624 1.00 0.00 +ATOM 500 HG1 LYS 33 30.005 35.774 23.354 1.00 0.00 +ATOM 501 HG2 LYS 33 30.945 34.744 24.204 1.00 0.00 +ATOM 502 CD LYS 33 31.745 35.264 22.364 1.00 0.00 +ATOM 503 HD1 LYS 33 32.605 34.824 22.614 1.00 0.00 +ATOM 504 HD2 LYS 33 31.925 36.114 21.874 1.00 0.00 +ATOM 505 CE LYS 33 30.935 34.324 21.484 1.00 0.00 +ATOM 506 HE1 LYS 33 30.115 34.814 21.164 1.00 0.00 +ATOM 507 HE2 LYS 33 30.655 33.534 22.024 1.00 0.00 +ATOM 508 NZ LYS 33 31.665 33.844 20.294 1.00 0.00 +ATOM 509 HZ1 LYS 33 31.075 33.234 19.754 1.00 0.00 +ATOM 510 HZ2 LYS 33 31.935 34.624 19.724 1.00 0.00 +ATOM 511 HZ3 LYS 33 32.485 33.344 20.584 1.00 0.00 +ATOM 512 C LYS 33 30.145 38.424 23.154 1.00 0.00 +ATOM 513 O LYS 33 30.055 38.374 21.924 1.00 0.00 +ATOM 514 N PHE 34 29.215 38.814 23.994 1.00 0.00 +ATOM 515 H PHE 34 29.465 38.994 24.954 1.00 0.00 +ATOM 516 CA PHE 34 27.815 38.984 23.564 1.00 0.00 +ATOM 517 HA PHE 34 27.625 38.384 22.794 1.00 0.00 +ATOM 518 CB PHE 34 26.875 38.534 24.684 1.00 0.00 +ATOM 519 HB1 PHE 34 25.935 38.824 24.464 1.00 0.00 +ATOM 520 HB2 PHE 34 27.155 38.954 25.544 1.00 0.00 +ATOM 521 CG PHE 34 26.885 37.034 24.844 1.00 0.00 +ATOM 522 CD1 PHE 34 26.455 36.214 23.804 1.00 0.00 +ATOM 523 HD1 PHE 34 26.025 36.614 22.994 1.00 0.00 +ATOM 524 CE1 PHE 34 26.615 34.824 23.904 1.00 0.00 +ATOM 525 HE1 PHE 34 26.345 34.234 23.144 1.00 0.00 +ATOM 526 CZ PHE 34 27.165 34.274 25.074 1.00 0.00 +ATOM 527 HZ PHE 34 27.185 33.274 25.204 1.00 0.00 +ATOM 528 CE2 PHE 34 27.685 35.104 26.074 1.00 0.00 +ATOM 529 HE2 PHE 34 28.175 34.724 26.854 1.00 0.00 +ATOM 530 CD2 PHE 34 27.515 36.494 25.964 1.00 0.00 +ATOM 531 HD2 PHE 34 27.845 37.094 26.694 1.00 0.00 +ATOM 532 C PHE 34 27.595 40.374 22.974 1.00 0.00 +ATOM 533 O PHE 34 26.745 40.554 22.054 1.00 0.00 +ATOM 534 N GLU 35 28.495 41.274 23.364 1.00 0.00 +ATOM 535 H GLU 35 29.215 41.034 24.014 1.00 0.00 +ATOM 536 CA GLU 35 28.425 42.654 22.814 1.00 0.00 +ATOM 537 HA GLU 35 27.425 42.764 22.814 1.00 0.00 +ATOM 538 CB GLU 35 28.945 43.754 23.704 1.00 0.00 +ATOM 539 HB1 GLU 35 28.935 44.594 23.164 1.00 0.00 +ATOM 540 HB2 GLU 35 29.885 43.514 23.944 1.00 0.00 +ATOM 541 CG GLU 35 28.235 44.074 25.004 1.00 0.00 +ATOM 542 HG1 GLU 35 28.835 44.694 25.514 1.00 0.00 +ATOM 543 HG2 GLU 35 28.145 43.214 25.504 1.00 0.00 +ATOM 544 CD GLU 35 26.875 44.714 24.954 1.00 0.00 +ATOM 545 OE1 GLU 35 26.655 45.224 23.834 1.00 0.00 +ATOM 546 OE2 GLU 35 26.195 44.894 25.944 1.00 0.00 +ATOM 547 C GLU 35 28.905 42.804 21.394 1.00 0.00 +ATOM 548 O GLU 35 28.255 43.374 20.504 1.00 0.00 +ATOM 549 N SER 36 30.115 42.344 21.144 1.00 0.00 +ATOM 550 H SER 36 30.555 41.844 21.884 1.00 0.00 +ATOM 551 CA SER 36 30.875 42.484 19.914 1.00 0.00 +ATOM 552 HA SER 36 30.165 42.844 19.314 1.00 0.00 +ATOM 553 CB SER 36 32.075 43.394 20.164 1.00 0.00 +ATOM 554 HB1 SER 36 31.785 44.264 20.554 1.00 0.00 +ATOM 555 HB2 SER 36 32.565 43.564 19.304 1.00 0.00 +ATOM 556 OG SER 36 32.995 42.814 21.064 1.00 0.00 +ATOM 557 HG SER 36 33.765 43.434 21.204 1.00 0.00 +ATOM 558 C SER 36 31.385 41.204 19.244 1.00 0.00 +ATOM 559 O SER 36 31.995 41.324 18.174 1.00 0.00 +ATOM 560 N ASN 37 31.205 40.084 19.884 1.00 0.00 +ATOM 561 H ASN 37 30.575 40.084 20.664 1.00 0.00 +ATOM 562 CA ASN 37 31.875 38.834 19.514 1.00 0.00 +ATOM 563 HA ASN 37 31.685 38.154 20.234 1.00 0.00 +ATOM 564 CB ASN 37 31.275 38.354 18.194 1.00 0.00 +ATOM 565 HB1 ASN 37 31.755 38.804 17.444 1.00 0.00 +ATOM 566 HB2 ASN 37 30.305 38.604 18.174 1.00 0.00 +ATOM 567 CG ASN 37 31.405 36.844 18.034 1.00 0.00 +ATOM 568 OD1 ASN 37 31.885 36.134 18.924 1.00 0.00 +ATOM 569 ND2 ASN 37 31.115 36.374 16.824 1.00 0.00 +ATOM 570 HD21 ASN 37 30.835 36.994 16.094 1.00 0.00 +ATOM 571 HD22 ASN 37 31.175 35.384 16.644 1.00 0.00 +ATOM 572 C ASN 37 33.395 38.954 19.514 1.00 0.00 +ATOM 573 O ASN 37 34.055 38.494 18.564 1.00 0.00 +ATOM 574 N PHE 38 33.935 39.744 20.434 1.00 0.00 +ATOM 575 H PHE 38 33.335 40.204 21.084 1.00 0.00 +ATOM 576 CA PHE 38 35.375 39.974 20.534 1.00 0.00 +ATOM 577 HA PHE 38 35.425 40.554 21.354 1.00 0.00 +ATOM 578 CB PHE 38 36.155 38.684 20.764 1.00 0.00 +ATOM 579 HB1 PHE 38 37.125 38.924 20.894 1.00 0.00 +ATOM 580 HB2 PHE 38 36.065 38.114 19.954 1.00 0.00 +ATOM 581 CG PHE 38 35.735 37.874 21.954 1.00 0.00 +ATOM 582 CD1 PHE 38 35.345 38.434 23.154 1.00 0.00 +ATOM 583 HD1 PHE 38 35.305 39.434 23.234 1.00 0.00 +ATOM 584 CE1 PHE 38 35.015 37.674 24.254 1.00 0.00 +ATOM 585 HE1 PHE 38 34.725 38.114 25.104 1.00 0.00 +ATOM 586 CZ PHE 38 35.085 36.274 24.164 1.00 0.00 +ATOM 587 HZ PHE 38 34.915 35.704 24.974 1.00 0.00 +ATOM 588 CE2 PHE 38 35.385 35.674 22.924 1.00 0.00 +ATOM 589 HE2 PHE 38 35.325 34.684 22.824 1.00 0.00 +ATOM 590 CD2 PHE 38 35.755 36.464 21.824 1.00 0.00 +ATOM 591 HD2 PHE 38 36.025 36.044 20.964 1.00 0.00 +ATOM 592 C PHE 38 35.965 40.764 19.364 1.00 0.00 +ATOM 593 O PHE 38 37.165 40.654 19.114 1.00 0.00 +ATOM 594 N ASN 39 35.185 41.654 18.784 1.00 0.00 +ATOM 595 H ASN 39 34.265 41.804 19.154 1.00 0.00 +ATOM 596 CA ASN 39 35.585 42.434 17.614 1.00 0.00 +ATOM 597 HA ASN 39 36.485 42.114 17.314 1.00 0.00 +ATOM 598 CB ASN 39 34.655 42.164 16.444 1.00 0.00 +ATOM 599 HB1 ASN 39 33.775 42.614 16.634 1.00 0.00 +ATOM 600 HB2 ASN 39 34.505 41.174 16.394 1.00 0.00 +ATOM 601 CG ASN 39 35.125 42.634 15.094 1.00 0.00 +ATOM 602 OD1 ASN 39 35.825 43.614 14.854 1.00 0.00 +ATOM 603 ND2 ASN 39 34.825 41.724 14.164 1.00 0.00 +ATOM 604 HD21 ASN 39 34.355 40.884 14.414 1.00 0.00 +ATOM 605 HD22 ASN 39 35.075 41.894 13.204 1.00 0.00 +ATOM 606 C ASN 39 35.785 43.894 17.994 1.00 0.00 +ATOM 607 O ASN 39 34.785 44.514 18.394 1.00 0.00 +ATOM 608 N THR 40 37.015 44.354 17.884 1.00 0.00 +ATOM 609 H THR 40 37.725 43.724 17.604 1.00 0.00 +ATOM 610 CA THR 40 37.385 45.734 18.154 1.00 0.00 +ATOM 611 HA THR 40 36.905 45.844 19.024 1.00 0.00 +ATOM 612 CB THR 40 38.925 45.964 18.394 1.00 0.00 +ATOM 613 HB THR 40 39.095 46.824 18.874 1.00 0.00 +ATOM 614 CG2 THR 40 39.655 44.984 19.324 1.00 0.00 +ATOM 615 HG21 THR 40 40.625 45.234 19.384 1.00 0.00 +ATOM 616 HG22 THR 40 39.245 45.014 20.234 1.00 0.00 +ATOM 617 HG23 THR 40 39.585 44.054 18.954 1.00 0.00 +ATOM 618 OG1 THR 40 39.515 46.024 17.034 1.00 0.00 +ATOM 619 HG1 THR 40 40.505 46.164 17.104 1.00 0.00 +ATOM 620 C THR 40 36.745 46.754 17.224 1.00 0.00 +ATOM 621 O THR 40 36.565 47.914 17.604 1.00 0.00 +ATOM 622 N GLN 41 36.245 46.294 16.104 1.00 0.00 +ATOM 623 H GLN 41 36.175 45.304 15.994 1.00 0.00 +ATOM 624 CA GLN 41 35.765 47.154 15.004 1.00 0.00 +ATOM 625 HA GLN 41 36.155 48.054 15.224 1.00 0.00 +ATOM 626 CB GLN 41 36.295 46.684 13.644 1.00 0.00 +ATOM 627 HB1 GLN 41 35.845 47.204 12.924 1.00 0.00 +ATOM 628 HB2 GLN 41 36.075 45.714 13.534 1.00 0.00 +ATOM 629 CG GLN 41 37.795 46.864 13.534 1.00 0.00 +ATOM 630 HG1 GLN 41 38.215 46.074 13.094 1.00 0.00 +ATOM 631 HG2 GLN 41 38.195 47.004 14.444 1.00 0.00 +ATOM 632 CD GLN 41 38.005 48.104 12.684 1.00 0.00 +ATOM 633 OE1 GLN 41 37.605 48.174 11.524 1.00 0.00 +ATOM 634 NE2 GLN 41 38.525 49.094 13.394 1.00 0.00 +ATOM 635 HE21 GLN 41 38.715 48.964 14.364 1.00 0.00 +ATOM 636 HE22 GLN 41 38.715 49.974 12.954 1.00 0.00 +ATOM 637 C GLN 41 34.235 47.244 14.944 1.00 0.00 +ATOM 638 O GLN 41 33.745 47.884 13.974 1.00 0.00 +ATOM 639 N ALA 42 33.575 46.504 15.804 1.00 0.00 +ATOM 640 H ALA 42 34.075 45.984 16.494 1.00 0.00 +ATOM 641 CA ALA 42 32.105 46.444 15.754 1.00 0.00 +ATOM 642 HA ALA 42 31.855 46.124 14.834 1.00 0.00 +ATOM 643 CB ALA 42 31.595 45.464 16.814 1.00 0.00 +ATOM 644 HB1 ALA 42 30.605 45.424 16.784 1.00 0.00 +ATOM 645 HB2 ALA 42 31.975 44.554 16.644 1.00 0.00 +ATOM 646 HB3 ALA 42 31.895 45.784 17.724 1.00 0.00 +ATOM 647 C ALA 42 31.505 47.834 16.004 1.00 0.00 +ATOM 648 O ALA 42 31.885 48.554 16.934 1.00 0.00 +ATOM 649 N THR 43 30.525 48.154 15.174 1.00 0.00 +ATOM 650 H THR 43 30.345 47.554 14.394 1.00 0.00 +ATOM 651 CA THR 43 29.685 49.354 15.334 1.00 0.00 +ATOM 652 HA THR 43 29.875 49.604 16.294 1.00 0.00 +ATOM 653 CB THR 43 30.055 50.594 14.444 1.00 0.00 +ATOM 654 HB THR 43 29.505 51.394 14.644 1.00 0.00 +ATOM 655 CG2 THR 43 31.495 51.074 14.634 1.00 0.00 +ATOM 656 HG21 THR 43 31.665 51.864 14.034 1.00 0.00 +ATOM 657 HG22 THR 43 31.625 51.344 15.584 1.00 0.00 +ATOM 658 HG23 THR 43 32.125 50.344 14.404 1.00 0.00 +ATOM 659 OG1 THR 43 29.795 50.184 13.054 1.00 0.00 +ATOM 660 HG1 THR 43 30.025 50.944 12.444 1.00 0.00 +ATOM 661 C THR 43 28.225 48.974 15.104 1.00 0.00 +ATOM 662 O THR 43 27.965 48.134 14.224 1.00 0.00 +ATOM 663 N ASN 44 27.335 49.604 15.844 1.00 0.00 +ATOM 664 H ASN 44 27.655 50.274 16.524 1.00 0.00 +ATOM 665 CA ASN 44 25.885 49.364 15.704 1.00 0.00 +ATOM 666 HA ASN 44 25.725 48.964 14.804 1.00 0.00 +ATOM 667 CB ASN 44 25.405 48.344 16.734 1.00 0.00 +ATOM 668 HB1 ASN 44 25.665 48.654 17.644 1.00 0.00 +ATOM 669 HB2 ASN 44 25.825 47.464 16.544 1.00 0.00 +ATOM 670 CG ASN 44 23.895 48.184 16.694 1.00 0.00 +ATOM 671 OD1 ASN 44 23.375 47.584 15.734 1.00 0.00 +ATOM 672 ND2 ASN 44 23.155 48.794 17.624 1.00 0.00 +ATOM 673 HD21 ASN 44 23.595 49.344 18.334 1.00 0.00 +ATOM 674 HD22 ASN 44 22.155 48.694 17.614 1.00 0.00 +ATOM 675 C ASN 44 25.145 50.704 15.854 1.00 0.00 +ATOM 676 O ASN 44 25.415 51.464 16.784 1.00 0.00 +ATOM 677 N ARG 45 24.305 50.984 14.894 1.00 0.00 +ATOM 678 H ARG 45 24.165 50.294 14.174 1.00 0.00 +ATOM 679 CA ARG 45 23.545 52.224 14.794 1.00 0.00 +ATOM 680 HA ARG 45 24.085 52.924 15.274 1.00 0.00 +ATOM 681 CB ARG 45 23.385 52.704 13.354 1.00 0.00 +ATOM 682 HB1 ARG 45 23.175 51.914 12.764 1.00 0.00 +ATOM 683 HB2 ARG 45 24.245 53.124 13.044 1.00 0.00 +ATOM 684 CG ARG 45 22.255 53.724 13.254 1.00 0.00 +ATOM 685 HG1 ARG 45 21.455 53.394 13.744 1.00 0.00 +ATOM 686 HG2 ARG 45 22.015 53.884 12.304 1.00 0.00 +ATOM 687 CD ARG 45 22.745 54.994 13.884 1.00 0.00 +ATOM 688 HD1 ARG 45 23.305 54.814 14.694 1.00 0.00 +ATOM 689 HD2 ARG 45 21.985 55.594 14.134 1.00 0.00 +ATOM 690 NE ARG 45 23.555 55.624 12.834 1.00 0.00 +ATOM 691 HE ARG 45 24.555 55.664 12.884 1.00 0.00 +ATOM 692 CZ ARG 45 22.865 56.134 11.794 1.00 0.00 +ATOM 693 NH1 ARG 45 21.535 56.194 11.714 1.00 0.00 +ATOM 694 HH11 ARG 45 20.975 55.844 12.464 1.00 0.00 +ATOM 695 HH12 ARG 45 21.095 56.594 10.904 1.00 0.00 +ATOM 696 NH2 ARG 45 23.615 56.564 10.784 1.00 0.00 +ATOM 697 HH21 ARG 45 24.615 56.484 10.834 1.00 0.00 +ATOM 698 HH22 ARG 45 23.185 56.954 9.974 1.00 0.00 +ATOM 699 C ARG 45 22.205 52.024 15.484 1.00 0.00 +ATOM 700 O ARG 45 21.645 50.924 15.384 1.00 0.00 +ATOM 701 N ASN 46 21.795 53.034 16.264 1.00 0.00 +ATOM 702 H ASN 46 22.345 53.864 16.314 1.00 0.00 +ATOM 703 CA ASN 46 20.545 52.934 17.034 1.00 0.00 +ATOM 704 HA ASN 46 20.195 52.014 16.894 1.00 0.00 +ATOM 705 CB ASN 46 20.825 53.094 18.514 1.00 0.00 +ATOM 706 HB1 ASN 46 19.945 53.004 19.004 1.00 0.00 +ATOM 707 HB2 ASN 46 21.195 54.014 18.664 1.00 0.00 +ATOM 708 CG ASN 46 21.785 52.104 19.134 1.00 0.00 +ATOM 709 OD1 ASN 46 22.905 52.524 19.464 1.00 0.00 +ATOM 710 ND2 ASN 46 21.365 50.844 19.214 1.00 0.00 +ATOM 711 HD21 ASN 46 20.465 50.594 18.874 1.00 0.00 +ATOM 712 HD22 ASN 46 21.965 50.144 19.614 1.00 0.00 +ATOM 713 C ASN 46 19.505 53.924 16.504 1.00 0.00 +ATOM 714 O ASN 46 19.865 54.964 15.934 1.00 0.00 +ATOM 715 N THR 47 18.275 53.694 16.924 1.00 0.00 +ATOM 716 H THR 47 18.125 52.914 17.534 1.00 0.00 +ATOM 717 CA THR 47 17.115 54.514 16.564 1.00 0.00 +ATOM 718 HA THR 47 17.185 54.524 15.574 1.00 0.00 +ATOM 719 CB THR 47 15.745 53.884 17.024 1.00 0.00 +ATOM 720 HB THR 47 14.935 54.314 16.634 1.00 0.00 +ATOM 721 CG2 THR 47 15.575 52.414 16.624 1.00 0.00 +ATOM 722 HG21 THR 47 14.685 52.084 16.944 1.00 0.00 +ATOM 723 HG22 THR 47 15.625 52.334 15.634 1.00 0.00 +ATOM 724 HG23 THR 47 16.305 51.874 17.044 1.00 0.00 +ATOM 725 OG1 THR 47 15.755 54.064 18.474 1.00 0.00 +ATOM 726 HG1 THR 47 14.915 53.684 18.854 1.00 0.00 +ATOM 727 C THR 47 17.245 55.974 17.004 1.00 0.00 +ATOM 728 O THR 47 16.845 56.834 16.204 1.00 0.00 +ATOM 729 N ASP 48 17.875 56.244 18.134 1.00 0.00 +ATOM 730 H ASP 48 18.195 55.464 18.674 1.00 0.00 +ATOM 731 CA ASP 48 18.125 57.584 18.644 1.00 0.00 +ATOM 732 HA ASP 48 17.285 58.024 18.344 1.00 0.00 +ATOM 733 CB ASP 48 18.265 57.594 20.174 1.00 0.00 +ATOM 734 HB1 ASP 48 17.535 57.044 20.574 1.00 0.00 +ATOM 735 HB2 ASP 48 18.185 58.544 20.494 1.00 0.00 +ATOM 736 CG ASP 48 19.615 57.034 20.644 1.00 0.00 +ATOM 737 OD1 ASP 48 20.345 56.464 19.824 1.00 0.00 +ATOM 738 OD2 ASP 48 19.995 57.304 21.804 1.00 0.00 +ATOM 739 C ASP 48 19.255 58.374 17.994 1.00 0.00 +ATOM 740 O ASP 48 19.495 59.484 18.504 1.00 0.00 +ATOM 741 N GLY 49 19.895 57.884 16.954 1.00 0.00 +ATOM 742 H GLY 49 19.615 56.984 16.604 1.00 0.00 +ATOM 743 CA GLY 49 20.985 58.564 16.264 1.00 0.00 +ATOM 744 HA1 GLY 49 20.855 59.544 16.424 1.00 0.00 +ATOM 745 HA2 GLY 49 20.895 58.364 15.294 1.00 0.00 +ATOM 746 C GLY 49 22.395 58.184 16.714 1.00 0.00 +ATOM 747 O GLY 49 23.415 58.554 16.124 1.00 0.00 +ATOM 748 N SER 50 22.415 57.524 17.884 1.00 0.00 +ATOM 749 H SER 50 21.555 57.324 18.334 1.00 0.00 +ATOM 750 CA SER 50 23.685 57.094 18.534 1.00 0.00 +ATOM 751 HA SER 50 24.345 57.814 18.394 1.00 0.00 +ATOM 752 CB SER 50 23.515 56.954 20.034 1.00 0.00 +ATOM 753 HB1 SER 50 23.025 57.744 20.404 1.00 0.00 +ATOM 754 HB2 SER 50 24.405 56.874 20.474 1.00 0.00 +ATOM 755 OG SER 50 22.775 55.794 20.354 1.00 0.00 +ATOM 756 HG SER 50 22.675 55.724 21.344 1.00 0.00 +ATOM 757 C SER 50 24.225 55.824 17.874 1.00 0.00 +ATOM 758 O SER 50 23.515 55.124 17.114 1.00 0.00 +ATOM 759 N THR 51 25.515 55.634 18.084 1.00 0.00 +ATOM 760 H THR 51 26.035 56.324 18.574 1.00 0.00 +ATOM 761 CA THR 51 26.215 54.424 17.614 1.00 0.00 +ATOM 762 HA THR 51 25.535 53.754 17.304 1.00 0.00 +ATOM 763 CB THR 51 27.145 54.774 16.394 1.00 0.00 +ATOM 764 HB THR 51 27.865 55.434 16.624 1.00 0.00 +ATOM 765 CG2 THR 51 27.935 53.564 15.864 1.00 0.00 +ATOM 766 HG21 THR 51 28.505 53.844 15.094 1.00 0.00 +ATOM 767 HG22 THR 51 28.505 53.194 16.594 1.00 0.00 +ATOM 768 HG23 THR 51 27.285 52.864 15.554 1.00 0.00 +ATOM 769 OG1 THR 51 26.345 55.444 15.404 1.00 0.00 +ATOM 770 HG1 THR 51 26.915 55.674 14.614 1.00 0.00 +ATOM 771 C THR 51 26.965 53.834 18.814 1.00 0.00 +ATOM 772 O THR 51 27.405 54.574 19.694 1.00 0.00 +ATOM 773 N ASP 52 26.955 52.514 18.884 1.00 0.00 +ATOM 774 H ASP 52 26.365 52.004 18.264 1.00 0.00 +ATOM 775 CA ASP 52 27.775 51.764 19.854 1.00 0.00 +ATOM 776 HA ASP 52 27.945 52.344 20.644 1.00 0.00 +ATOM 777 CB ASP 52 27.015 50.514 20.264 1.00 0.00 +ATOM 778 HB1 ASP 52 27.535 50.024 20.964 1.00 0.00 +ATOM 779 HB2 ASP 52 26.895 49.924 19.464 1.00 0.00 +ATOM 780 CG ASP 52 25.645 50.854 20.814 1.00 0.00 +ATOM 781 OD1 ASP 52 25.465 51.794 21.574 1.00 0.00 +ATOM 782 OD2 ASP 52 24.765 50.004 20.594 1.00 0.00 +ATOM 783 C ASP 52 29.085 51.354 19.184 1.00 0.00 +ATOM 784 O ASP 52 29.095 50.934 18.004 1.00 0.00 +ATOM 785 N TYR 53 30.165 51.594 19.904 1.00 0.00 +ATOM 786 H TYR 53 30.055 51.884 20.864 1.00 0.00 +ATOM 787 CA TYR 53 31.525 51.464 19.364 1.00 0.00 +ATOM 788 HA TYR 53 31.345 51.114 18.444 1.00 0.00 +ATOM 789 CB TYR 53 32.235 52.834 19.324 1.00 0.00 +ATOM 790 HB1 TYR 53 33.195 52.684 19.094 1.00 0.00 +ATOM 791 HB2 TYR 53 32.175 53.254 20.234 1.00 0.00 +ATOM 792 CG TYR 53 31.685 53.824 18.324 1.00 0.00 +ATOM 793 CD1 TYR 53 32.085 53.864 16.994 1.00 0.00 +ATOM 794 HD1 TYR 53 32.785 53.224 16.674 1.00 0.00 +ATOM 795 CE1 TYR 53 31.535 54.784 16.094 1.00 0.00 +ATOM 796 HE1 TYR 53 31.805 54.784 15.134 1.00 0.00 +ATOM 797 CZ TYR 53 30.605 55.714 16.564 1.00 0.00 +ATOM 798 OH TYR 53 30.105 56.664 15.724 1.00 0.00 +ATOM 799 HH TYR 53 29.455 57.244 16.214 1.00 0.00 +ATOM 800 CE2 TYR 53 30.155 55.664 17.884 1.00 0.00 +ATOM 801 HE2 TYR 53 29.415 56.264 18.194 1.00 0.00 +ATOM 802 CD2 TYR 53 30.755 54.774 18.764 1.00 0.00 +ATOM 803 HD2 TYR 53 30.515 54.804 19.734 1.00 0.00 +ATOM 804 C TYR 53 32.405 50.454 20.104 1.00 0.00 +ATOM 805 O TYR 53 32.535 50.474 21.324 1.00 0.00 +ATOM 806 N GLY 54 32.995 49.584 19.324 1.00 0.00 +ATOM 807 H GLY 54 32.665 49.524 18.384 1.00 0.00 +ATOM 808 CA GLY 54 34.095 48.694 19.694 1.00 0.00 +ATOM 809 HA1 GLY 54 34.745 49.254 20.204 1.00 0.00 +ATOM 810 HA2 GLY 54 34.515 48.394 18.834 1.00 0.00 +ATOM 811 C GLY 54 33.745 47.464 20.524 1.00 0.00 +ATOM 812 O GLY 54 32.585 47.024 20.554 1.00 0.00 +ATOM 813 N ILE 55 34.805 46.954 21.134 1.00 0.00 +ATOM 814 H ILE 55 35.675 47.444 21.114 1.00 0.00 +ATOM 815 CA ILE 55 34.695 45.654 21.824 1.00 0.00 +ATOM 816 HA ILE 55 34.295 45.044 21.144 1.00 0.00 +ATOM 817 CB ILE 55 36.135 45.204 22.254 1.00 0.00 +ATOM 818 HB ILE 55 36.855 45.344 21.574 1.00 0.00 +ATOM 819 CG2 ILE 55 36.645 46.074 23.424 1.00 0.00 +ATOM 820 HG21 ILE 55 37.555 45.774 23.694 1.00 0.00 +ATOM 821 HG22 ILE 55 36.675 47.034 23.144 1.00 0.00 +ATOM 822 HG23 ILE 55 36.025 45.974 24.204 1.00 0.00 +ATOM 823 CG1 ILE 55 36.035 43.674 22.494 1.00 0.00 +ATOM 824 HG11 ILE 55 35.435 43.294 21.784 1.00 0.00 +ATOM 825 HG12 ILE 55 35.605 43.534 23.394 1.00 0.00 +ATOM 826 CD ILE 55 37.345 42.884 22.474 1.00 0.00 +ATOM 827 HD1 ILE 55 37.155 41.914 22.644 1.00 0.00 +ATOM 828 HD2 ILE 55 37.785 42.984 21.584 1.00 0.00 +ATOM 829 HD3 ILE 55 37.955 43.234 23.184 1.00 0.00 +ATOM 830 C ILE 55 33.665 45.614 22.944 1.00 0.00 +ATOM 831 O ILE 55 33.015 44.564 23.124 1.00 0.00 +ATOM 832 N LEU 56 33.465 46.744 23.574 1.00 0.00 +ATOM 833 H LEU 56 34.025 47.544 23.354 1.00 0.00 +ATOM 834 CA LEU 56 32.415 46.864 24.614 1.00 0.00 +ATOM 835 HA LEU 56 32.025 45.954 24.744 1.00 0.00 +ATOM 836 CB LEU 56 33.065 47.284 25.934 1.00 0.00 +ATOM 837 HB1 LEU 56 32.325 47.534 26.574 1.00 0.00 +ATOM 838 HB2 LEU 56 33.635 48.094 25.764 1.00 0.00 +ATOM 839 CG LEU 56 33.935 46.214 26.614 1.00 0.00 +ATOM 840 HG LEU 56 34.655 45.854 26.014 1.00 0.00 +ATOM 841 CD1 LEU 56 34.575 46.864 27.824 1.00 0.00 +ATOM 842 HD11 LEU 56 35.155 46.194 28.294 1.00 0.00 +ATOM 843 HD12 LEU 56 35.135 47.634 27.534 1.00 0.00 +ATOM 844 HD13 LEU 56 33.865 47.174 28.444 1.00 0.00 +ATOM 845 CD2 LEU 56 33.055 45.044 27.004 1.00 0.00 +ATOM 846 HD21 LEU 56 33.615 44.334 27.444 1.00 0.00 +ATOM 847 HD22 LEU 56 32.355 45.354 27.644 1.00 0.00 +ATOM 848 HD23 LEU 56 32.615 44.664 26.194 1.00 0.00 +ATOM 849 C LEU 56 31.225 47.704 24.154 1.00 0.00 +ATOM 850 O LEU 56 30.405 47.974 25.044 1.00 0.00 +ATOM 851 N GLN 57 31.105 47.964 22.864 1.00 0.00 +ATOM 852 H GLN 57 31.845 47.704 22.244 1.00 0.00 +ATOM 853 CA GLN 57 29.915 48.644 22.344 1.00 0.00 +ATOM 854 HA GLN 57 30.145 49.014 21.444 1.00 0.00 +ATOM 855 CB GLN 57 28.765 47.624 22.264 1.00 0.00 +ATOM 856 HB1 GLN 57 27.905 48.114 22.124 1.00 0.00 +ATOM 857 HB2 GLN 57 28.725 47.114 23.124 1.00 0.00 +ATOM 858 CG GLN 57 28.975 46.654 21.114 1.00 0.00 +ATOM 859 HG1 GLN 57 28.265 45.954 21.154 1.00 0.00 +ATOM 860 HG2 GLN 57 29.875 46.224 21.224 1.00 0.00 +ATOM 861 CD GLN 57 28.925 47.304 19.744 1.00 0.00 +ATOM 862 OE1 GLN 57 27.815 47.464 19.224 1.00 0.00 +ATOM 863 NE2 GLN 57 30.055 47.664 19.164 1.00 0.00 +ATOM 864 HE21 GLN 57 30.935 47.514 19.624 1.00 0.00 +ATOM 865 HE22 GLN 57 30.035 48.094 18.264 1.00 0.00 +ATOM 866 C GLN 57 29.525 49.804 23.254 1.00 0.00 +ATOM 867 O GLN 57 28.365 49.894 23.724 1.00 0.00 +ATOM 868 N ILE 58 30.405 50.774 23.384 1.00 0.00 +ATOM 869 H ILE 58 31.295 50.674 22.924 1.00 0.00 +ATOM 870 CA ILE 58 30.175 51.984 24.164 1.00 0.00 +ATOM 871 HA ILE 58 29.575 51.724 24.924 1.00 0.00 +ATOM 872 CB ILE 58 31.545 52.524 24.684 1.00 0.00 +ATOM 873 HB ILE 58 32.245 52.544 23.964 1.00 0.00 +ATOM 874 CG2 ILE 58 31.425 54.004 25.124 1.00 0.00 +ATOM 875 HG21 ILE 58 32.315 54.324 25.444 1.00 0.00 +ATOM 876 HG22 ILE 58 31.125 54.554 24.344 1.00 0.00 +ATOM 877 HG23 ILE 58 30.755 54.074 25.854 1.00 0.00 +ATOM 878 CG1 ILE 58 31.995 51.584 25.834 1.00 0.00 +ATOM 879 HG11 ILE 58 31.865 50.634 25.544 1.00 0.00 +ATOM 880 HG12 ILE 58 31.445 51.774 26.644 1.00 0.00 +ATOM 881 CD ILE 58 33.495 51.814 26.174 1.00 0.00 +ATOM 882 HD1 ILE 58 33.765 51.204 26.914 1.00 0.00 +ATOM 883 HD2 ILE 58 34.055 51.634 25.364 1.00 0.00 +ATOM 884 HD3 ILE 58 33.625 52.764 26.464 1.00 0.00 +ATOM 885 C ILE 58 29.445 53.024 23.314 1.00 0.00 +ATOM 886 O ILE 58 29.795 53.274 22.144 1.00 0.00 +ATOM 887 N ASN 59 28.395 53.534 23.914 1.00 0.00 +ATOM 888 H ASN 59 28.255 53.344 24.884 1.00 0.00 +ATOM 889 CA ASN 59 27.395 54.374 23.224 1.00 0.00 +ATOM 890 HA ASN 59 27.345 54.054 22.274 1.00 0.00 +ATOM 891 CB ASN 59 26.045 54.174 23.934 1.00 0.00 +ATOM 892 HB1 ASN 59 26.115 54.544 24.854 1.00 0.00 +ATOM 893 HB2 ASN 59 25.855 53.194 23.974 1.00 0.00 +ATOM 894 CG ASN 59 24.895 54.854 23.224 1.00 0.00 +ATOM 895 OD1 ASN 59 24.705 56.034 23.574 1.00 0.00 +ATOM 896 ND2 ASN 59 24.405 54.184 22.204 1.00 0.00 +ATOM 897 HD21 ASN 59 24.785 53.304 21.944 1.00 0.00 +ATOM 898 HD22 ASN 59 23.635 54.564 21.684 1.00 0.00 +ATOM 899 C ASN 59 27.795 55.834 23.084 1.00 0.00 +ATOM 900 O ASN 59 28.165 56.474 24.074 1.00 0.00 +ATOM 901 N SER 60 27.515 56.344 21.874 1.00 0.00 +ATOM 902 H SER 60 27.095 55.764 21.174 1.00 0.00 +ATOM 903 CA SER 60 27.815 57.774 21.564 1.00 0.00 +ATOM 904 HA SER 60 28.705 57.864 22.014 1.00 0.00 +ATOM 905 CB SER 60 27.885 58.004 20.064 1.00 0.00 +ATOM 906 HB1 SER 60 28.515 57.344 19.654 1.00 0.00 +ATOM 907 HB2 SER 60 28.215 58.934 19.884 1.00 0.00 +ATOM 908 OG SER 60 26.675 57.874 19.374 1.00 0.00 +ATOM 909 HG SER 60 26.835 58.044 18.394 1.00 0.00 +ATOM 910 C SER 60 26.935 58.854 22.174 1.00 0.00 +ATOM 911 O SER 60 27.295 60.044 22.044 1.00 0.00 +ATOM 912 N ARG 61 25.775 58.524 22.674 1.00 0.00 +ATOM 913 H ARG 61 25.445 57.584 22.584 1.00 0.00 +ATOM 914 CA ARG 61 24.935 59.514 23.384 1.00 0.00 +ATOM 915 HA ARG 61 24.935 60.294 22.754 1.00 0.00 +ATOM 916 CB ARG 61 23.515 59.064 23.564 1.00 0.00 +ATOM 917 HB1 ARG 61 23.485 58.414 24.324 1.00 0.00 +ATOM 918 HB2 ARG 61 23.215 58.594 22.724 1.00 0.00 +ATOM 919 CG ARG 61 22.565 60.214 23.854 1.00 0.00 +ATOM 920 HG1 ARG 61 22.385 60.754 23.034 1.00 0.00 +ATOM 921 HG2 ARG 61 22.915 60.804 24.574 1.00 0.00 +ATOM 922 CD ARG 61 21.305 59.524 24.314 1.00 0.00 +ATOM 923 HD1 ARG 61 21.515 58.904 25.074 1.00 0.00 +ATOM 924 HD2 ARG 61 20.905 58.994 23.554 1.00 0.00 +ATOM 925 NE ARG 61 20.345 60.514 24.754 1.00 0.00 +ATOM 926 HE ARG 61 20.655 61.414 25.084 1.00 0.00 +ATOM 927 CZ ARG 61 19.035 60.214 24.704 1.00 0.00 +ATOM 928 NH1 ARG 61 18.685 59.124 24.034 1.00 0.00 +ATOM 929 HH11 ARG 61 19.385 58.564 23.584 1.00 0.00 +ATOM 930 HH12 ARG 61 17.725 58.864 23.974 1.00 0.00 +ATOM 931 NH2 ARG 61 18.175 61.114 25.164 1.00 0.00 +ATOM 932 HH21 ARG 61 18.495 61.984 25.534 1.00 0.00 +ATOM 933 HH22 ARG 61 17.185 60.914 25.144 1.00 0.00 +ATOM 934 C ARG 61 25.525 59.974 24.704 1.00 0.00 +ATOM 935 O ARG 61 25.525 61.194 24.934 1.00 0.00 +ATOM 936 N TRP 62 26.015 59.064 25.544 1.00 0.00 +ATOM 937 H TRP 62 26.015 58.104 25.264 1.00 0.00 +ATOM 938 CA TRP 62 26.565 59.424 26.844 1.00 0.00 +ATOM 939 HA TRP 62 26.195 60.354 26.944 1.00 0.00 +ATOM 940 CB TRP 62 26.075 58.474 27.944 1.00 0.00 +ATOM 941 HB1 TRP 62 26.295 58.864 28.844 1.00 0.00 +ATOM 942 HB2 TRP 62 26.545 57.594 27.844 1.00 0.00 +ATOM 943 CG TRP 62 24.605 58.224 27.914 1.00 0.00 +ATOM 944 CD1 TRP 62 23.965 57.114 27.454 1.00 0.00 +ATOM 945 HD1 TRP 62 24.415 56.264 27.184 1.00 0.00 +ATOM 946 NE1 TRP 62 22.605 57.324 27.424 1.00 0.00 +ATOM 947 HE1 TRP 62 21.925 56.664 27.094 1.00 0.00 +ATOM 948 CE2 TRP 62 22.335 58.564 27.914 1.00 0.00 +ATOM 949 CZ2 TRP 62 21.115 59.194 28.124 1.00 0.00 +ATOM 950 HZ2 TRP 62 20.255 58.734 27.914 1.00 0.00 +ATOM 951 CH2 TRP 62 21.155 60.474 28.624 1.00 0.00 +ATOM 952 HH2 TRP 62 20.295 60.984 28.734 1.00 0.00 +ATOM 953 CZ3 TRP 62 22.365 61.074 29.004 1.00 0.00 +ATOM 954 HZ3 TRP 62 22.345 61.974 29.434 1.00 0.00 +ATOM 955 CE3 TRP 62 23.575 60.444 28.784 1.00 0.00 +ATOM 956 HE3 TRP 62 24.435 60.904 29.004 1.00 0.00 +ATOM 957 CD2 TRP 62 23.575 59.164 28.244 1.00 0.00 +ATOM 958 C TRP 62 28.095 59.504 26.914 1.00 0.00 +ATOM 959 O TRP 62 28.565 60.264 27.784 1.00 0.00 +ATOM 960 N TRP 63 28.785 58.594 26.234 1.00 0.00 +ATOM 961 H TRP 63 28.335 58.124 25.474 1.00 0.00 +ATOM 962 CA TRP 63 30.155 58.264 26.534 1.00 0.00 +ATOM 963 HA TRP 63 30.175 58.924 27.284 1.00 0.00 +ATOM 964 CB TRP 63 30.315 56.784 26.924 1.00 0.00 +ATOM 965 HB1 TRP 63 31.205 56.654 27.354 1.00 0.00 +ATOM 966 HB2 TRP 63 30.255 56.224 26.104 1.00 0.00 +ATOM 967 CG TRP 63 29.285 56.294 27.884 1.00 0.00 +ATOM 968 CD1 TRP 63 28.205 55.484 27.594 1.00 0.00 +ATOM 969 HD1 TRP 63 27.975 55.144 26.674 1.00 0.00 +ATOM 970 NE1 TRP 63 27.485 55.204 28.714 1.00 0.00 +ATOM 971 HE1 TRP 63 26.715 54.584 28.774 1.00 0.00 +ATOM 972 CE2 TRP 63 28.005 55.934 29.744 1.00 0.00 +ATOM 973 CZ2 TRP 63 27.635 55.994 31.094 1.00 0.00 +ATOM 974 HZ2 TRP 63 26.835 55.504 31.434 1.00 0.00 +ATOM 975 CH2 TRP 63 28.425 56.774 31.934 1.00 0.00 +ATOM 976 HH2 TRP 63 28.175 56.854 32.894 1.00 0.00 +ATOM 977 CZ3 TRP 63 29.545 57.454 31.464 1.00 0.00 +ATOM 978 HZ3 TRP 63 30.075 58.024 32.094 1.00 0.00 +ATOM 979 CE3 TRP 63 29.935 57.344 30.134 1.00 0.00 +ATOM 980 HE3 TRP 63 30.765 57.804 29.814 1.00 0.00 +ATOM 981 CD2 TRP 63 29.165 56.594 29.264 1.00 0.00 +ATOM 982 C TRP 63 31.335 58.784 25.764 1.00 0.00 +ATOM 983 O TRP 63 32.385 59.044 26.384 1.00 0.00 +ATOM 984 N CYS 64 31.205 58.774 24.464 1.00 0.00 +ATOM 985 H CYS 64 30.365 58.394 24.074 1.00 0.00 +ATOM 986 CA CYS 64 32.225 59.294 23.544 1.00 0.00 +ATOM 987 HA CYS 64 32.905 59.804 24.074 1.00 0.00 +ATOM 988 CB CYS 64 32.885 58.124 22.824 1.00 0.00 +ATOM 989 HB1 CYS 64 33.295 57.604 23.564 1.00 0.00 +ATOM 990 HB2 CYS 64 33.605 58.564 22.284 1.00 0.00 +ATOM 991 SG CYS 64 31.805 57.094 21.804 1.00 0.00 +ATOM 992 C CYS 64 31.565 60.224 22.524 1.00 0.00 +ATOM 993 O CYS 64 30.345 60.174 22.344 1.00 0.00 +ATOM 994 N ASN 65 32.405 61.034 21.904 1.00 0.00 +ATOM 995 H ASN 65 33.375 60.984 22.124 1.00 0.00 +ATOM 996 CA ASN 65 31.945 61.994 20.894 1.00 0.00 +ATOM 997 HA ASN 65 30.955 62.064 21.034 1.00 0.00 +ATOM 998 CB ASN 65 32.625 63.354 21.104 1.00 0.00 +ATOM 999 HB1 ASN 65 33.615 63.254 21.054 1.00 0.00 +ATOM 1000 HB2 ASN 65 32.375 63.734 21.994 1.00 0.00 +ATOM 1001 CG ASN 65 32.155 64.284 19.994 1.00 0.00 +ATOM 1002 OD1 ASN 65 30.985 64.424 19.674 1.00 0.00 +ATOM 1003 ND2 ASN 65 33.155 64.804 19.284 1.00 0.00 +ATOM 1004 HD21 ASN 65 34.105 64.564 19.514 1.00 0.00 +ATOM 1005 HD22 ASN 65 32.975 65.424 18.534 1.00 0.00 +ATOM 1006 C ASN 65 32.225 61.514 19.474 1.00 0.00 +ATOM 1007 O ASN 65 33.375 61.184 19.164 1.00 0.00 +ATOM 1008 N ASP 66 31.165 61.344 18.694 1.00 0.00 +ATOM 1009 H ASP 66 30.245 61.434 19.084 1.00 0.00 +ATOM 1010 CA ASP 66 31.345 61.044 17.264 1.00 0.00 +ATOM 1011 HA ASP 66 32.335 60.954 17.144 1.00 0.00 +ATOM 1012 CB ASP 66 30.705 59.724 16.924 1.00 0.00 +ATOM 1013 HB1 ASP 66 31.035 59.034 17.564 1.00 0.00 +ATOM 1014 HB2 ASP 66 30.985 59.474 15.994 1.00 0.00 +ATOM 1015 CG ASP 66 29.195 59.764 16.984 1.00 0.00 +ATOM 1016 OD1 ASP 66 28.535 60.764 17.274 1.00 0.00 +ATOM 1017 OD2 ASP 66 28.695 58.634 16.764 1.00 0.00 +ATOM 1018 C ASP 66 30.905 62.184 16.354 1.00 0.00 +ATOM 1019 O ASP 66 30.965 62.004 15.144 1.00 0.00 +ATOM 1020 N GLY 67 30.475 63.274 16.954 1.00 0.00 +ATOM 1021 H GLY 67 30.435 63.274 17.954 1.00 0.00 +ATOM 1022 CA GLY 67 30.065 64.474 16.234 1.00 0.00 +ATOM 1023 HA1 GLY 67 30.815 64.704 15.624 1.00 0.00 +ATOM 1024 HA2 GLY 67 29.955 65.184 16.924 1.00 0.00 +ATOM 1025 C GLY 67 28.785 64.414 15.414 1.00 0.00 +ATOM 1026 O GLY 67 28.435 65.404 14.754 1.00 0.00 +ATOM 1027 N ARG 68 28.065 63.304 15.464 1.00 0.00 +ATOM 1028 H ARG 68 28.385 62.544 16.024 1.00 0.00 +ATOM 1029 CA ARG 68 26.805 63.174 14.724 1.00 0.00 +ATOM 1030 HA ARG 68 26.575 64.114 14.464 1.00 0.00 +ATOM 1031 CB ARG 68 26.995 62.314 13.474 1.00 0.00 +ATOM 1032 HB1 ARG 68 27.685 62.734 12.884 1.00 0.00 +ATOM 1033 HB2 ARG 68 26.125 62.264 12.984 1.00 0.00 +ATOM 1034 CG ARG 68 27.445 60.914 13.864 1.00 0.00 +ATOM 1035 HG1 ARG 68 26.725 60.474 14.404 1.00 0.00 +ATOM 1036 HG2 ARG 68 28.275 60.974 14.414 1.00 0.00 +ATOM 1037 CD ARG 68 27.725 60.054 12.694 1.00 0.00 +ATOM 1038 HD1 ARG 68 28.595 59.574 12.814 1.00 0.00 +ATOM 1039 HD2 ARG 68 27.765 60.614 11.864 1.00 0.00 +ATOM 1040 NE ARG 68 26.685 59.064 12.534 1.00 0.00 +ATOM 1041 HE ARG 68 26.905 58.174 12.924 1.00 0.00 +ATOM 1042 CZ ARG 68 25.485 59.124 11.964 1.00 0.00 +ATOM 1043 NH1 ARG 68 24.745 60.174 11.664 1.00 0.00 +ATOM 1044 HH11 ARG 68 25.085 61.094 11.884 1.00 0.00 +ATOM 1045 HH12 ARG 68 23.855 60.054 11.234 1.00 0.00 +ATOM 1046 NH2 ARG 68 25.145 57.994 11.314 1.00 0.00 +ATOM 1047 HH21 ARG 68 25.765 57.214 11.304 1.00 0.00 +ATOM 1048 HH22 ARG 68 24.255 57.934 10.854 1.00 0.00 +ATOM 1049 C ARG 68 25.665 62.624 15.574 1.00 0.00 +ATOM 1050 O ARG 68 24.635 62.244 15.024 1.00 0.00 +ATOM 1051 N THR 69 25.835 62.764 16.864 1.00 0.00 +ATOM 1052 H THR 69 26.665 63.214 17.194 1.00 0.00 +ATOM 1053 CA THR 69 24.855 62.274 17.844 1.00 0.00 +ATOM 1054 HA THR 69 24.175 61.814 17.264 1.00 0.00 +ATOM 1055 CB THR 69 25.455 61.244 18.904 1.00 0.00 +ATOM 1056 HB THR 69 26.155 61.614 19.514 1.00 0.00 +ATOM 1057 CG2 THR 69 24.365 60.724 19.854 1.00 0.00 +ATOM 1058 HG21 THR 69 24.775 60.084 20.514 1.00 0.00 +ATOM 1059 HG22 THR 69 23.965 61.494 20.354 1.00 0.00 +ATOM 1060 HG23 THR 69 23.655 60.254 19.334 1.00 0.00 +ATOM 1061 OG1 THR 69 26.095 60.194 18.094 1.00 0.00 +ATOM 1062 HG1 THR 69 26.495 59.514 18.704 1.00 0.00 +ATOM 1063 C THR 69 24.235 63.464 18.594 1.00 0.00 +ATOM 1064 O THR 69 24.925 64.104 19.384 1.00 0.00 +ATOM 1065 N PRO 70 22.935 63.604 18.394 1.00 0.00 +ATOM 1066 CD PRO 70 22.135 62.954 17.354 1.00 0.00 +ATOM 1067 HD1 PRO 70 21.795 62.074 17.664 1.00 0.00 +ATOM 1068 HD2 PRO 70 22.675 62.834 16.524 1.00 0.00 +ATOM 1069 CG PRO 70 21.005 63.954 17.144 1.00 0.00 +ATOM 1070 HG1 PRO 70 20.165 63.484 16.854 1.00 0.00 +ATOM 1071 HG2 PRO 70 21.255 64.634 16.454 1.00 0.00 +ATOM 1072 CB PRO 70 20.805 64.614 18.484 1.00 0.00 +ATOM 1073 HB1 PRO 70 20.195 64.064 19.054 1.00 0.00 +ATOM 1074 HB2 PRO 70 20.415 65.524 18.364 1.00 0.00 +ATOM 1075 CA PRO 70 22.195 64.684 19.084 1.00 0.00 +ATOM 1076 HA PRO 70 22.605 65.594 18.954 1.00 0.00 +ATOM 1077 C PRO 70 22.205 64.384 20.574 1.00 0.00 +ATOM 1078 O PRO 70 21.985 63.224 20.924 1.00 0.00 +ATOM 1079 N GLY 71 22.405 65.354 21.414 1.00 0.00 +ATOM 1080 H GLY 71 22.605 66.254 21.024 1.00 0.00 +ATOM 1081 CA GLY 71 22.385 65.244 22.864 1.00 0.00 +ATOM 1082 HA1 GLY 71 21.555 64.734 23.094 1.00 0.00 +ATOM 1083 HA2 GLY 71 22.305 66.174 23.224 1.00 0.00 +ATOM 1084 C GLY 71 23.575 64.574 23.524 1.00 0.00 +ATOM 1085 O GLY 71 23.505 64.124 24.684 1.00 0.00 +ATOM 1086 N SER 72 24.665 64.494 22.794 1.00 0.00 +ATOM 1087 H SER 72 24.645 64.904 21.884 1.00 0.00 +ATOM 1088 CA SER 72 25.905 63.844 23.224 1.00 0.00 +ATOM 1089 HA SER 72 25.745 62.874 23.424 1.00 0.00 +ATOM 1090 CB SER 72 26.905 63.864 22.074 1.00 0.00 +ATOM 1091 HB1 SER 72 26.845 64.744 21.604 1.00 0.00 +ATOM 1092 HB2 SER 72 26.695 63.124 21.434 1.00 0.00 +ATOM 1093 OG SER 72 28.265 63.694 22.474 1.00 0.00 +ATOM 1094 HG SER 72 28.845 63.724 21.664 1.00 0.00 +ATOM 1095 C SER 72 26.385 64.444 24.534 1.00 0.00 +ATOM 1096 O SER 72 26.295 65.684 24.684 1.00 0.00 +ATOM 1097 N ARG 73 26.895 63.634 25.444 1.00 0.00 +ATOM 1098 H ARG 73 26.855 62.654 25.254 1.00 0.00 +ATOM 1099 CA ARG 73 27.495 64.064 26.704 1.00 0.00 +ATOM 1100 HA ARG 73 27.275 65.034 26.604 1.00 0.00 +ATOM 1101 CB ARG 73 26.855 63.414 27.944 1.00 0.00 +ATOM 1102 HB1 ARG 73 27.425 63.644 28.734 1.00 0.00 +ATOM 1103 HB2 ARG 73 26.855 62.424 27.814 1.00 0.00 +ATOM 1104 CG ARG 73 25.435 63.844 28.254 1.00 0.00 +ATOM 1105 HG1 ARG 73 24.995 63.174 28.854 1.00 0.00 +ATOM 1106 HG2 ARG 73 24.905 63.934 27.404 1.00 0.00 +ATOM 1107 CD ARG 73 25.455 65.164 28.934 1.00 0.00 +ATOM 1108 HD1 ARG 73 25.795 65.844 28.294 1.00 0.00 +ATOM 1109 HD2 ARG 73 26.075 65.104 29.724 1.00 0.00 +ATOM 1110 NE ARG 73 24.175 65.634 29.434 1.00 0.00 +ATOM 1111 HE ARG 73 23.985 65.564 30.414 1.00 0.00 +ATOM 1112 CZ ARG 73 23.225 66.164 28.634 1.00 0.00 +ATOM 1113 NH1 ARG 73 23.085 65.794 27.354 1.00 0.00 +ATOM 1114 HH11 ARG 73 23.695 65.114 26.964 1.00 0.00 +ATOM 1115 HH12 ARG 73 22.375 66.214 26.794 1.00 0.00 +ATOM 1116 NH2 ARG 73 22.815 67.414 28.964 1.00 0.00 +ATOM 1117 HH21 ARG 73 23.215 67.874 29.744 1.00 0.00 +ATOM 1118 HH22 ARG 73 22.115 67.864 28.414 1.00 0.00 +ATOM 1119 C ARG 73 29.015 63.924 26.844 1.00 0.00 +ATOM 1120 O ARG 73 29.675 64.614 27.664 1.00 0.00 +ATOM 1121 N ASN 74 29.595 63.004 26.104 1.00 0.00 +ATOM 1122 H ASN 74 29.005 62.474 25.494 1.00 0.00 +ATOM 1123 CA ASN 74 31.025 62.694 26.124 1.00 0.00 +ATOM 1124 HA ASN 74 31.115 61.794 25.704 1.00 0.00 +ATOM 1125 CB ASN 74 31.815 63.654 25.224 1.00 0.00 +ATOM 1126 HB1 ASN 74 31.865 64.534 25.684 1.00 0.00 +ATOM 1127 HB2 ASN 74 31.315 63.754 24.364 1.00 0.00 +ATOM 1128 CG ASN 74 33.225 63.194 24.904 1.00 0.00 +ATOM 1129 OD1 ASN 74 33.565 62.034 25.164 1.00 0.00 +ATOM 1130 ND2 ASN 74 34.085 64.054 24.374 1.00 0.00 +ATOM 1131 HD21 ASN 74 33.795 64.994 24.194 1.00 0.00 +ATOM 1132 HD22 ASN 74 35.015 63.764 24.164 1.00 0.00 +ATOM 1133 C ASN 74 31.565 62.584 27.544 1.00 0.00 +ATOM 1134 O ASN 74 32.505 63.334 27.874 1.00 0.00 +ATOM 1135 N LEU 75 30.965 61.724 28.354 1.00 0.00 +ATOM 1136 H LEU 75 30.205 61.174 28.014 1.00 0.00 +ATOM 1137 CA LEU 75 31.395 61.554 29.744 1.00 0.00 +ATOM 1138 HA LEU 75 31.565 62.474 30.094 1.00 0.00 +ATOM 1139 CB LEU 75 30.255 60.914 30.544 1.00 0.00 +ATOM 1140 HB1 LEU 75 30.615 60.634 31.434 1.00 0.00 +ATOM 1141 HB2 LEU 75 29.925 60.114 30.044 1.00 0.00 +ATOM 1142 CG LEU 75 29.065 61.864 30.794 1.00 0.00 +ATOM 1143 HG LEU 75 28.865 62.384 29.964 1.00 0.00 +ATOM 1144 CD1 LEU 75 27.815 61.054 31.154 1.00 0.00 +ATOM 1145 HD11 LEU 75 27.055 61.684 31.304 1.00 0.00 +ATOM 1146 HD12 LEU 75 27.595 60.434 30.394 1.00 0.00 +ATOM 1147 HD13 LEU 75 27.995 60.524 31.984 1.00 0.00 +ATOM 1148 CD2 LEU 75 29.405 62.834 31.924 1.00 0.00 +ATOM 1149 HD21 LEU 75 28.625 63.444 32.084 1.00 0.00 +ATOM 1150 HD22 LEU 75 29.595 62.314 32.754 1.00 0.00 +ATOM 1151 HD23 LEU 75 30.205 63.374 31.674 1.00 0.00 +ATOM 1152 C LEU 75 32.765 60.874 29.894 1.00 0.00 +ATOM 1153 O LEU 75 33.415 61.064 30.954 1.00 0.00 +ATOM 1154 N CYS 76 33.215 60.174 28.874 1.00 0.00 +ATOM 1155 H CYS 76 32.655 60.074 28.054 1.00 0.00 +ATOM 1156 CA CYS 76 34.545 59.544 28.924 1.00 0.00 +ATOM 1157 HA CYS 76 34.655 59.404 29.904 1.00 0.00 +ATOM 1158 CB CYS 76 34.645 58.164 28.294 1.00 0.00 +ATOM 1159 HB1 CYS 76 35.625 58.014 28.204 1.00 0.00 +ATOM 1160 HB2 CYS 76 34.245 58.294 27.384 1.00 0.00 +ATOM 1161 SG CYS 76 33.835 56.824 29.174 1.00 0.00 +ATOM 1162 C CYS 76 35.635 60.464 28.404 1.00 0.00 +ATOM 1163 O CYS 76 36.815 60.094 28.384 1.00 0.00 +ATOM 1164 N ASN 77 35.205 61.544 27.784 1.00 0.00 +ATOM 1165 H ASN 77 34.225 61.664 27.704 1.00 0.00 +ATOM 1166 CA ASN 77 36.075 62.594 27.214 1.00 0.00 +ATOM 1167 HA ASN 77 35.465 63.244 26.764 1.00 0.00 +ATOM 1168 CB ASN 77 36.835 63.354 28.294 1.00 0.00 +ATOM 1169 HB1 ASN 77 37.605 62.794 28.614 1.00 0.00 +ATOM 1170 HB2 ASN 77 36.215 63.534 29.064 1.00 0.00 +ATOM 1171 CG ASN 77 37.375 64.674 27.774 1.00 0.00 +ATOM 1172 OD1 ASN 77 36.595 65.454 27.214 1.00 0.00 +ATOM 1173 ND2 ASN 77 38.675 64.874 27.864 1.00 0.00 +ATOM 1174 HD21 ASN 77 39.265 64.174 28.264 1.00 0.00 +ATOM 1175 HD22 ASN 77 39.075 65.734 27.524 1.00 0.00 +ATOM 1176 C ASN 77 36.955 62.024 26.114 1.00 0.00 +ATOM 1177 O ASN 77 38.195 62.194 26.124 1.00 0.00 +ATOM 1178 N ILE 78 36.395 61.274 25.194 1.00 0.00 +ATOM 1179 H ILE 78 35.405 61.114 25.244 1.00 0.00 +ATOM 1180 CA ILE 78 37.145 60.644 24.104 1.00 0.00 +ATOM 1181 HA ILE 78 37.985 61.184 24.014 1.00 0.00 +ATOM 1182 CB ILE 78 37.425 59.124 24.434 1.00 0.00 +ATOM 1183 HB ILE 78 37.685 58.614 23.604 1.00 0.00 +ATOM 1184 CG2 ILE 78 38.685 58.864 25.294 1.00 0.00 +ATOM 1185 HG21 ILE 78 38.785 57.884 25.454 1.00 0.00 +ATOM 1186 HG22 ILE 78 39.485 59.214 24.814 1.00 0.00 +ATOM 1187 HG23 ILE 78 38.585 59.344 26.164 1.00 0.00 +ATOM 1188 CG1 ILE 78 36.125 58.504 24.964 1.00 0.00 +ATOM 1189 HG11 ILE 78 35.415 58.654 24.274 1.00 0.00 +ATOM 1190 HG12 ILE 78 35.885 58.984 25.804 1.00 0.00 +ATOM 1191 CD ILE 78 36.185 56.984 25.264 1.00 0.00 +ATOM 1192 HD1 ILE 78 35.295 56.684 25.604 1.00 0.00 +ATOM 1193 HD2 ILE 78 36.405 56.484 24.434 1.00 0.00 +ATOM 1194 HD3 ILE 78 36.885 56.804 25.964 1.00 0.00 +ATOM 1195 C ILE 78 36.345 60.714 22.804 1.00 0.00 +ATOM 1196 O ILE 78 35.105 60.554 22.844 1.00 0.00 +ATOM 1197 N PRO 79 37.075 60.654 21.704 1.00 0.00 +ATOM 1198 CD PRO 79 38.525 60.884 21.604 1.00 0.00 +ATOM 1199 HD1 PRO 79 39.015 60.154 22.054 1.00 0.00 +ATOM 1200 HD2 PRO 79 38.765 61.764 22.014 1.00 0.00 +ATOM 1201 CG PRO 79 38.795 60.894 20.104 1.00 0.00 +ATOM 1202 HG1 PRO 79 39.355 60.104 19.854 1.00 0.00 +ATOM 1203 HG2 PRO 79 39.285 61.734 19.854 1.00 0.00 +ATOM 1204 CB PRO 79 37.505 60.834 19.374 1.00 0.00 +ATOM 1205 HB1 PRO 79 37.545 60.124 18.664 1.00 0.00 +ATOM 1206 HB2 PRO 79 37.315 61.714 18.944 1.00 0.00 +ATOM 1207 CA PRO 79 36.435 60.494 20.394 1.00 0.00 +ATOM 1208 HA PRO 79 35.655 61.094 20.234 1.00 0.00 +ATOM 1209 C PRO 79 36.035 59.014 20.364 1.00 0.00 +ATOM 1210 O PRO 79 36.825 58.134 20.814 1.00 0.00 +ATOM 1211 N CYS 80 34.875 58.774 19.784 1.00 0.00 +ATOM 1212 H CYS 80 34.305 59.534 19.474 1.00 0.00 +ATOM 1213 CA CYS 80 34.415 57.384 19.574 1.00 0.00 +ATOM 1214 HA CYS 80 34.385 57.064 20.524 1.00 0.00 +ATOM 1215 CB CYS 80 32.995 57.204 19.064 1.00 0.00 +ATOM 1216 HB1 CYS 80 32.875 56.214 19.044 1.00 0.00 +ATOM 1217 HB2 CYS 80 33.025 57.554 18.134 1.00 0.00 +ATOM 1218 SG CYS 80 31.715 58.024 20.054 1.00 0.00 +ATOM 1219 C CYS 80 35.395 56.584 18.744 1.00 0.00 +ATOM 1220 O CYS 80 35.455 55.344 18.934 1.00 0.00 +ATOM 1221 N SER 81 36.015 57.154 17.734 1.00 0.00 +ATOM 1222 H SER 81 35.775 58.104 17.534 1.00 0.00 +ATOM 1223 CA SER 81 37.025 56.534 16.884 1.00 0.00 +ATOM 1224 HA SER 81 36.485 55.844 16.404 1.00 0.00 +ATOM 1225 CB SER 81 37.625 57.504 15.864 1.00 0.00 +ATOM 1226 HB1 SER 81 36.915 57.924 15.284 1.00 0.00 +ATOM 1227 HB2 SER 81 38.305 57.054 15.284 1.00 0.00 +ATOM 1228 OG SER 81 38.275 58.544 16.584 1.00 0.00 +ATOM 1229 HG SER 81 38.685 59.194 15.934 1.00 0.00 +ATOM 1230 C SER 81 38.155 55.894 17.704 1.00 0.00 +ATOM 1231 O SER 81 38.585 54.804 17.254 1.00 0.00 +ATOM 1232 N ALA 82 38.475 56.434 18.864 1.00 0.00 +ATOM 1233 H ALA 82 38.005 57.264 19.174 1.00 0.00 +ATOM 1234 CA ALA 82 39.515 55.824 19.704 1.00 0.00 +ATOM 1235 HA ALA 82 40.285 55.664 19.084 1.00 0.00 +ATOM 1236 CB ALA 82 39.965 56.794 20.794 1.00 0.00 +ATOM 1237 HB1 ALA 82 40.675 56.364 21.354 1.00 0.00 +ATOM 1238 HB2 ALA 82 40.335 57.624 20.374 1.00 0.00 +ATOM 1239 HB3 ALA 82 39.185 57.034 21.374 1.00 0.00 +ATOM 1240 C ALA 82 39.115 54.464 20.274 1.00 0.00 +ATOM 1241 O ALA 82 39.945 53.664 20.734 1.00 0.00 +ATOM 1242 N LEU 83 37.815 54.204 20.294 1.00 0.00 +ATOM 1243 H LEU 83 37.195 54.914 19.954 1.00 0.00 +ATOM 1244 CA LEU 83 37.215 52.954 20.774 1.00 0.00 +ATOM 1245 HA LEU 83 37.785 52.584 21.504 1.00 0.00 +ATOM 1246 CB LEU 83 35.865 53.284 21.384 1.00 0.00 +ATOM 1247 HB1 LEU 83 35.455 52.424 21.674 1.00 0.00 +ATOM 1248 HB2 LEU 83 35.305 53.684 20.654 1.00 0.00 +ATOM 1249 CG LEU 83 35.755 54.224 22.574 1.00 0.00 +ATOM 1250 HG LEU 83 36.175 55.084 22.274 1.00 0.00 +ATOM 1251 CD1 LEU 83 34.285 54.434 22.954 1.00 0.00 +ATOM 1252 HD11 LEU 83 34.235 55.054 23.744 1.00 0.00 +ATOM 1253 HD12 LEU 83 33.785 54.834 22.184 1.00 0.00 +ATOM 1254 HD13 LEU 83 33.875 53.554 23.204 1.00 0.00 +ATOM 1255 CD2 LEU 83 36.525 53.734 23.794 1.00 0.00 +ATOM 1256 HD21 LEU 83 36.415 54.394 24.544 1.00 0.00 +ATOM 1257 HD22 LEU 83 36.165 52.844 24.074 1.00 0.00 +ATOM 1258 HD23 LEU 83 37.495 53.644 23.564 1.00 0.00 +ATOM 1259 C LEU 83 37.305 51.824 19.764 1.00 0.00 +ATOM 1260 O LEU 83 36.915 50.684 20.074 1.00 0.00 +ATOM 1261 N LEU 84 37.715 52.134 18.544 1.00 0.00 +ATOM 1262 H LEU 84 37.945 53.084 18.354 1.00 0.00 +ATOM 1263 CA LEU 84 37.855 51.164 17.464 1.00 0.00 +ATOM 1264 HA LEU 84 37.375 50.344 17.794 1.00 0.00 +ATOM 1265 CB LEU 84 37.155 51.654 16.204 1.00 0.00 +ATOM 1266 HB1 LEU 84 37.245 50.934 15.514 1.00 0.00 +ATOM 1267 HB2 LEU 84 37.665 52.464 15.894 1.00 0.00 +ATOM 1268 CG LEU 84 35.695 52.044 16.244 1.00 0.00 +ATOM 1269 HG LEU 84 35.575 52.714 16.974 1.00 0.00 +ATOM 1270 CD1 LEU 84 35.255 52.634 14.894 1.00 0.00 +ATOM 1271 HD11 LEU 84 34.295 52.884 14.944 1.00 0.00 +ATOM 1272 HD12 LEU 84 35.805 53.444 14.694 1.00 0.00 +ATOM 1273 HD13 LEU 84 35.395 51.954 14.174 1.00 0.00 +ATOM 1274 CD2 LEU 84 34.845 50.804 16.484 1.00 0.00 +ATOM 1275 HD21 LEU 84 33.875 51.064 16.514 1.00 0.00 +ATOM 1276 HD22 LEU 84 34.995 50.154 15.744 1.00 0.00 +ATOM 1277 HD23 LEU 84 35.105 50.394 17.354 1.00 0.00 +ATOM 1278 C LEU 84 39.295 50.704 17.244 1.00 0.00 +ATOM 1279 O LEU 84 39.575 50.104 16.194 1.00 0.00 +ATOM 1280 N SER 85 40.185 51.064 18.134 1.00 0.00 +ATOM 1281 H SER 85 39.905 51.664 18.884 1.00 0.00 +ATOM 1282 CA SER 85 41.585 50.614 18.084 1.00 0.00 +ATOM 1283 HA SER 85 41.915 50.844 17.174 1.00 0.00 +ATOM 1284 CB SER 85 42.355 51.344 19.184 1.00 0.00 +ATOM 1285 HB1 SER 85 42.095 51.014 20.094 1.00 0.00 +ATOM 1286 HB2 SER 85 42.215 52.334 19.134 1.00 0.00 +ATOM 1287 OG SER 85 43.725 51.074 18.984 1.00 0.00 +ATOM 1288 HG SER 85 44.265 51.544 19.684 1.00 0.00 +ATOM 1289 C SER 85 41.715 49.104 18.314 1.00 0.00 +ATOM 1290 O SER 85 41.005 48.504 19.134 1.00 0.00 +ATOM 1291 N SER 86 42.865 48.604 17.874 1.00 0.00 +ATOM 1292 H SER 86 43.485 49.194 17.354 1.00 0.00 +ATOM 1293 CA SER 86 43.255 47.204 18.114 1.00 0.00 +ATOM 1294 HA SER 86 42.445 46.664 17.914 1.00 0.00 +ATOM 1295 CB SER 86 44.355 46.734 17.164 1.00 0.00 +ATOM 1296 HB1 SER 86 44.975 46.084 17.604 1.00 0.00 +ATOM 1297 HB2 SER 86 44.875 47.494 16.784 1.00 0.00 +ATOM 1298 OG SER 86 43.645 46.074 16.124 1.00 0.00 +ATOM 1299 HG SER 86 44.295 45.734 15.444 1.00 0.00 +ATOM 1300 C SER 86 43.635 47.014 19.584 1.00 0.00 +ATOM 1301 O SER 86 43.555 45.914 20.144 1.00 0.00 +ATOM 1302 N ASP 87 44.095 48.104 20.144 1.00 0.00 +ATOM 1303 H ASP 87 44.145 48.924 19.564 1.00 0.00 +ATOM 1304 CA ASP 87 44.525 48.254 21.544 1.00 0.00 +ATOM 1305 HA ASP 87 45.005 47.444 21.874 1.00 0.00 +ATOM 1306 CB ASP 87 45.465 49.474 21.604 1.00 0.00 +ATOM 1307 HB1 ASP 87 44.975 50.254 21.224 1.00 0.00 +ATOM 1308 HB2 ASP 87 46.255 49.264 21.024 1.00 0.00 +ATOM 1309 CG ASP 87 46.005 49.904 22.944 1.00 0.00 +ATOM 1310 OD1 ASP 87 45.585 49.564 24.074 1.00 0.00 +ATOM 1311 OD2 ASP 87 47.035 50.664 22.884 1.00 0.00 +ATOM 1312 C ASP 87 43.245 48.524 22.344 1.00 0.00 +ATOM 1313 O ASP 87 42.735 49.624 22.104 1.00 0.00 +ATOM 1314 N ILE 88 42.975 47.714 23.354 1.00 0.00 +ATOM 1315 H ILE 88 43.585 46.954 23.574 1.00 0.00 +ATOM 1316 CA ILE 88 41.755 47.954 24.154 1.00 0.00 +ATOM 1317 HA ILE 88 41.175 48.364 23.464 1.00 0.00 +ATOM 1318 CB ILE 88 41.235 46.604 24.764 1.00 0.00 +ATOM 1319 HB ILE 88 40.385 46.744 25.274 1.00 0.00 +ATOM 1320 CG2 ILE 88 40.835 45.604 23.654 1.00 0.00 +ATOM 1321 HG21 ILE 88 40.505 44.754 24.064 1.00 0.00 +ATOM 1322 HG22 ILE 88 40.105 46.014 23.094 1.00 0.00 +ATOM 1323 HG23 ILE 88 41.625 45.414 23.074 1.00 0.00 +ATOM 1324 CG1 ILE 88 42.165 46.064 25.884 1.00 0.00 +ATOM 1325 HG11 ILE 88 42.515 46.864 26.364 1.00 0.00 +ATOM 1326 HG12 ILE 88 42.915 45.594 25.424 1.00 0.00 +ATOM 1327 CD ILE 88 41.605 45.094 26.954 1.00 0.00 +ATOM 1328 HD1 ILE 88 42.335 44.844 27.594 1.00 0.00 +ATOM 1329 HD2 ILE 88 40.865 45.534 27.454 1.00 0.00 +ATOM 1330 HD3 ILE 88 41.265 44.264 26.504 1.00 0.00 +ATOM 1331 C ILE 88 41.825 49.004 25.254 1.00 0.00 +ATOM 1332 O ILE 88 40.845 49.174 26.014 1.00 0.00 +ATOM 1333 N THR 89 42.985 49.654 25.444 1.00 0.00 +ATOM 1334 H THR 89 43.755 49.444 24.844 1.00 0.00 +ATOM 1335 CA THR 89 43.155 50.634 26.504 1.00 0.00 +ATOM 1336 HA THR 89 43.155 50.014 27.294 1.00 0.00 +ATOM 1337 CB THR 89 44.515 51.454 26.394 1.00 0.00 +ATOM 1338 HB THR 89 44.595 52.024 25.574 1.00 0.00 +ATOM 1339 CG2 THR 89 44.665 52.414 27.584 1.00 0.00 +ATOM 1340 HG21 THR 89 45.525 52.924 27.494 1.00 0.00 +ATOM 1341 HG22 THR 89 43.895 53.054 27.594 1.00 0.00 +ATOM 1342 HG23 THR 89 44.675 51.894 28.434 1.00 0.00 +ATOM 1343 OG1 THR 89 45.585 50.454 26.304 1.00 0.00 +ATOM 1344 HG1 THR 89 46.465 50.924 26.224 1.00 0.00 +ATOM 1345 C THR 89 41.985 51.624 26.654 1.00 0.00 +ATOM 1346 O THR 89 41.585 51.844 27.814 1.00 0.00 +ATOM 1347 N ALA 90 41.755 52.344 25.574 1.00 0.00 +ATOM 1348 H ALA 90 42.275 52.164 24.744 1.00 0.00 +ATOM 1349 CA ALA 90 40.725 53.414 25.574 1.00 0.00 +ATOM 1350 HA ALA 90 41.055 54.104 26.224 1.00 0.00 +ATOM 1351 CB ALA 90 40.615 54.074 24.194 1.00 0.00 +ATOM 1352 HB1 ALA 90 39.915 54.794 24.224 1.00 0.00 +ATOM 1353 HB2 ALA 90 41.495 54.474 23.944 1.00 0.00 +ATOM 1354 HB3 ALA 90 40.355 53.384 23.514 1.00 0.00 +ATOM 1355 C ALA 90 39.365 52.934 26.084 1.00 0.00 +ATOM 1356 O ALA 90 38.615 53.534 26.884 1.00 0.00 +ATOM 1357 N SER 91 38.995 51.784 25.514 1.00 0.00 +ATOM 1358 H SER 91 39.615 51.364 24.854 1.00 0.00 +ATOM 1359 CA SER 91 37.735 51.084 25.794 1.00 0.00 +ATOM 1360 HA SER 91 37.025 51.734 25.554 1.00 0.00 +ATOM 1361 CB SER 91 37.525 49.894 24.894 1.00 0.00 +ATOM 1362 HB1 SER 91 36.745 49.364 25.224 1.00 0.00 +ATOM 1363 HB2 SER 91 38.345 49.324 24.904 1.00 0.00 +ATOM 1364 OG SER 91 37.265 50.194 23.554 1.00 0.00 +ATOM 1365 HG SER 91 37.135 49.354 23.044 1.00 0.00 +ATOM 1366 C SER 91 37.675 50.684 27.284 1.00 0.00 +ATOM 1367 O SER 91 36.655 50.924 27.924 1.00 0.00 +ATOM 1368 N VAL 92 38.745 50.074 27.764 1.00 0.00 +ATOM 1369 H VAL 92 39.505 49.864 27.154 1.00 0.00 +ATOM 1370 CA VAL 92 38.835 49.714 29.194 1.00 0.00 +ATOM 1371 HA VAL 92 38.055 49.124 29.394 1.00 0.00 +ATOM 1372 CB VAL 92 40.135 48.904 29.464 1.00 0.00 +ATOM 1373 HB VAL 92 40.945 49.324 29.054 1.00 0.00 +ATOM 1374 CG1 VAL 92 40.375 48.854 30.964 1.00 0.00 +ATOM 1375 HG11 VAL 92 41.205 48.334 31.154 1.00 0.00 +ATOM 1376 HG12 VAL 92 40.465 49.784 31.314 1.00 0.00 +ATOM 1377 HG13 VAL 92 39.595 48.404 31.414 1.00 0.00 +ATOM 1378 CG2 VAL 92 40.025 47.534 28.824 1.00 0.00 +ATOM 1379 HG21 VAL 92 40.855 47.014 29.004 1.00 0.00 +ATOM 1380 HG22 VAL 92 39.235 47.054 29.214 1.00 0.00 +ATOM 1381 HG23 VAL 92 39.895 47.634 27.844 1.00 0.00 +ATOM 1382 C VAL 92 38.725 50.974 30.074 1.00 0.00 +ATOM 1383 O VAL 92 37.965 50.884 31.054 1.00 0.00 +ATOM 1384 N ASN 93 39.445 52.024 29.724 1.00 0.00 +ATOM 1385 H ASN 93 40.025 51.974 28.914 1.00 0.00 +ATOM 1386 CA ASN 93 39.405 53.274 30.494 1.00 0.00 +ATOM 1387 HA ASN 93 39.705 52.924 31.384 1.00 0.00 +ATOM 1388 CB ASN 93 40.415 54.334 30.064 1.00 0.00 +ATOM 1389 HB1 ASN 93 40.185 55.204 30.494 1.00 0.00 +ATOM 1390 HB2 ASN 93 40.375 54.434 29.064 1.00 0.00 +ATOM 1391 CG ASN 93 41.825 53.944 30.454 1.00 0.00 +ATOM 1392 OD1 ASN 93 42.795 54.534 29.934 1.00 0.00 +ATOM 1393 ND2 ASN 93 41.955 53.054 31.444 1.00 0.00 +ATOM 1394 HD21 ASN 93 41.145 52.674 31.884 1.00 0.00 +ATOM 1395 HD22 ASN 93 42.865 52.764 31.744 1.00 0.00 +ATOM 1396 C ASN 93 37.995 53.894 30.614 1.00 0.00 +ATOM 1397 O ASN 93 37.605 54.254 31.724 1.00 0.00 +ATOM 1398 N CYS 94 37.345 53.864 29.484 1.00 0.00 +ATOM 1399 H CYS 94 37.785 53.524 28.654 1.00 0.00 +ATOM 1400 CA CYS 94 35.935 54.314 29.444 1.00 0.00 +ATOM 1401 HA CYS 94 35.875 55.184 29.934 1.00 0.00 +ATOM 1402 CB CYS 94 35.535 54.564 28.004 1.00 0.00 +ATOM 1403 HB1 CYS 94 35.595 53.674 27.554 1.00 0.00 +ATOM 1404 HB2 CYS 94 36.245 55.174 27.634 1.00 0.00 +ATOM 1405 SG CYS 94 33.885 55.294 27.864 1.00 0.00 +ATOM 1406 C CYS 94 35.025 53.394 30.234 1.00 0.00 +ATOM 1407 O CYS 94 34.215 53.894 31.054 1.00 0.00 +ATOM 1408 N ALA 95 35.185 52.094 30.074 1.00 0.00 +ATOM 1409 H ALA 95 35.895 51.774 29.444 1.00 0.00 +ATOM 1410 CA ALA 95 34.375 51.094 30.784 1.00 0.00 +ATOM 1411 HA ALA 95 33.465 51.334 30.454 1.00 0.00 +ATOM 1412 CB ALA 95 34.745 49.654 30.424 1.00 0.00 +ATOM 1413 HB1 ALA 95 34.155 49.034 30.934 1.00 0.00 +ATOM 1414 HB2 ALA 95 34.605 49.514 29.444 1.00 0.00 +ATOM 1415 HB3 ALA 95 35.695 49.484 30.664 1.00 0.00 +ATOM 1416 C ALA 95 34.485 51.194 32.304 1.00 0.00 +ATOM 1417 O ALA 95 33.465 51.044 32.994 1.00 0.00 +ATOM 1418 N LYS 96 35.665 51.494 32.804 1.00 0.00 +ATOM 1419 H LYS 96 36.455 51.524 32.184 1.00 0.00 +ATOM 1420 CA LYS 96 35.875 51.774 34.234 1.00 0.00 +ATOM 1421 HA LYS 96 35.545 50.944 34.674 1.00 0.00 +ATOM 1422 CB LYS 96 37.345 51.974 34.584 1.00 0.00 +ATOM 1423 HB1 LYS 96 37.405 52.334 35.524 1.00 0.00 +ATOM 1424 HB2 LYS 96 37.745 52.634 33.944 1.00 0.00 +ATOM 1425 CG LYS 96 38.115 50.654 34.514 1.00 0.00 +ATOM 1426 HG1 LYS 96 37.965 50.234 33.624 1.00 0.00 +ATOM 1427 HG2 LYS 96 37.805 50.034 35.234 1.00 0.00 +ATOM 1428 CD LYS 96 39.605 50.934 34.694 1.00 0.00 +ATOM 1429 HD1 LYS 96 39.725 51.444 35.544 1.00 0.00 +ATOM 1430 HD2 LYS 96 39.915 51.494 33.924 1.00 0.00 +ATOM 1431 CE LYS 96 40.445 49.684 34.754 1.00 0.00 +ATOM 1432 HE1 LYS 96 40.385 49.174 33.894 1.00 0.00 +ATOM 1433 HE2 LYS 96 40.145 49.094 35.504 1.00 0.00 +ATOM 1434 NZ LYS 96 41.855 50.104 34.984 1.00 0.00 +ATOM 1435 HZ1 LYS 96 42.445 49.304 35.024 1.00 0.00 +ATOM 1436 HZ2 LYS 96 42.155 50.694 34.234 1.00 0.00 +ATOM 1437 HZ3 LYS 96 41.915 50.614 35.844 1.00 0.00 +ATOM 1438 C LYS 96 35.045 52.984 34.724 1.00 0.00 +ATOM 1439 O LYS 96 34.545 52.874 35.844 1.00 0.00 +ATOM 1440 N LYS 97 34.905 53.964 33.864 1.00 0.00 +ATOM 1441 H LYS 97 35.375 53.924 32.984 1.00 0.00 +ATOM 1442 CA LYS 97 34.055 55.124 34.194 1.00 0.00 +ATOM 1443 HA LYS 97 34.325 55.374 35.124 1.00 0.00 +ATOM 1444 CB LYS 97 34.335 56.324 33.284 1.00 0.00 +ATOM 1445 HB1 LYS 97 33.735 57.074 33.554 1.00 0.00 +ATOM 1446 HB2 LYS 97 34.135 56.054 32.344 1.00 0.00 +ATOM 1447 CG LYS 97 35.785 56.794 33.374 1.00 0.00 +ATOM 1448 HG1 LYS 97 36.385 56.024 33.154 1.00 0.00 +ATOM 1449 HG2 LYS 97 35.965 57.094 34.314 1.00 0.00 +ATOM 1450 CD LYS 97 36.085 57.934 32.424 1.00 0.00 +ATOM 1451 HD1 LYS 97 35.655 58.774 32.764 1.00 0.00 +ATOM 1452 HD2 LYS 97 35.725 57.714 31.514 1.00 0.00 +ATOM 1453 CE LYS 97 37.585 58.154 32.324 1.00 0.00 +ATOM 1454 HE1 LYS 97 38.015 57.374 31.874 1.00 0.00 +ATOM 1455 HE2 LYS 97 37.975 58.274 33.234 1.00 0.00 +ATOM 1456 NZ LYS 97 37.815 59.384 31.524 1.00 0.00 +ATOM 1457 HZ1 LYS 97 38.795 59.554 31.444 1.00 0.00 +ATOM 1458 HZ2 LYS 97 37.415 59.274 30.614 1.00 0.00 +ATOM 1459 HZ3 LYS 97 37.375 60.164 31.974 1.00 0.00 +ATOM 1460 C LYS 97 32.575 54.764 34.204 1.00 0.00 +ATOM 1461 O LYS 97 31.815 55.184 35.084 1.00 0.00 +ATOM 1462 N ILE 98 32.145 53.994 33.234 1.00 0.00 +ATOM 1463 H ILE 98 32.805 53.674 32.554 1.00 0.00 +ATOM 1464 CA ILE 98 30.765 53.554 33.084 1.00 0.00 +ATOM 1465 HA ILE 98 30.235 54.404 33.104 1.00 0.00 +ATOM 1466 CB ILE 98 30.555 52.864 31.714 1.00 0.00 +ATOM 1467 HB ILE 98 31.205 52.114 31.634 1.00 0.00 +ATOM 1468 CG2 ILE 98 29.135 52.254 31.634 1.00 0.00 +ATOM 1469 HG21 ILE 98 29.005 51.804 30.744 1.00 0.00 +ATOM 1470 HG22 ILE 98 29.015 51.574 32.364 1.00 0.00 +ATOM 1471 HG23 ILE 98 28.455 52.974 31.734 1.00 0.00 +ATOM 1472 CG1 ILE 98 30.885 53.774 30.514 1.00 0.00 +ATOM 1473 HG11 ILE 98 31.805 54.154 30.664 1.00 0.00 +ATOM 1474 HG12 ILE 98 30.225 54.514 30.504 1.00 0.00 +ATOM 1475 CD ILE 98 30.865 53.064 29.134 1.00 0.00 +ATOM 1476 HD1 ILE 98 31.095 53.724 28.424 1.00 0.00 +ATOM 1477 HD2 ILE 98 31.535 52.324 29.134 1.00 0.00 +ATOM 1478 HD3 ILE 98 29.955 52.694 28.964 1.00 0.00 +ATOM 1479 C ILE 98 30.275 52.734 34.264 1.00 0.00 +ATOM 1480 O ILE 98 29.305 53.114 34.944 1.00 0.00 +ATOM 1481 N VAL 99 31.125 51.834 34.724 1.00 0.00 +ATOM 1482 H VAL 99 32.045 51.794 34.354 1.00 0.00 +ATOM 1483 CA VAL 99 30.735 50.874 35.774 1.00 0.00 +ATOM 1484 HA VAL 99 29.795 50.564 35.604 1.00 0.00 +ATOM 1485 CB VAL 99 31.645 49.634 35.674 1.00 0.00 +ATOM 1486 HB VAL 99 31.685 49.334 34.724 1.00 0.00 +ATOM 1487 CG1 VAL 99 33.055 50.004 36.094 1.00 0.00 +ATOM 1488 HG11 VAL 99 33.645 49.194 36.024 1.00 0.00 +ATOM 1489 HG12 VAL 99 33.405 50.714 35.494 1.00 0.00 +ATOM 1490 HG13 VAL 99 33.045 50.334 37.034 1.00 0.00 +ATOM 1491 CG2 VAL 99 31.075 48.454 36.444 1.00 0.00 +ATOM 1492 HG21 VAL 99 31.695 47.674 36.364 1.00 0.00 +ATOM 1493 HG22 VAL 99 30.985 48.704 37.414 1.00 0.00 +ATOM 1494 HG23 VAL 99 30.185 48.214 36.074 1.00 0.00 +ATOM 1495 C VAL 99 30.675 51.564 37.134 1.00 0.00 +ATOM 1496 O VAL 99 29.985 51.074 38.044 1.00 0.00 +ATOM 1497 N SER 100 31.455 52.614 37.224 1.00 0.00 +ATOM 1498 H SER 100 31.985 52.894 36.434 1.00 0.00 +ATOM 1499 CA SER 100 31.545 53.394 38.464 1.00 0.00 +ATOM 1500 HA SER 100 31.475 52.764 39.244 1.00 0.00 +ATOM 1501 CB SER 100 32.895 54.054 38.534 1.00 0.00 +ATOM 1502 HB1 SER 100 32.935 54.644 39.344 1.00 0.00 +ATOM 1503 HB2 SER 100 33.045 54.604 37.714 1.00 0.00 +ATOM 1504 OG SER 100 33.955 53.124 38.634 1.00 0.00 +ATOM 1505 HG SER 100 34.825 53.624 38.674 1.00 0.00 +ATOM 1506 C SER 100 30.365 54.364 38.574 1.00 0.00 +ATOM 1507 O SER 100 30.245 54.994 39.634 1.00 0.00 +ATOM 1508 N ASP 101 29.555 54.464 37.564 1.00 0.00 +ATOM 1509 H ASP 101 29.735 53.874 36.784 1.00 0.00 +ATOM 1510 CA ASP 101 28.405 55.354 37.464 1.00 0.00 +ATOM 1511 HA ASP 101 28.815 56.144 37.934 1.00 0.00 +ATOM 1512 CB ASP 101 28.055 55.714 36.024 1.00 0.00 +ATOM 1513 HB1 ASP 101 27.275 55.154 35.734 1.00 0.00 +ATOM 1514 HB2 ASP 101 28.845 55.514 35.444 1.00 0.00 +ATOM 1515 CG ASP 101 27.675 57.184 35.824 1.00 0.00 +ATOM 1516 OD1 ASP 101 28.495 58.084 36.084 1.00 0.00 +ATOM 1517 OD2 ASP 101 26.525 57.384 35.364 1.00 0.00 +ATOM 1518 C ASP 101 27.165 55.044 38.294 1.00 0.00 +ATOM 1519 O ASP 101 26.375 56.004 38.494 1.00 0.00 +ATOM 1520 N GLY 102 26.965 53.804 38.704 1.00 0.00 +ATOM 1521 H GLY 102 27.555 53.064 38.374 1.00 0.00 +ATOM 1522 CA GLY 102 25.865 53.524 39.634 1.00 0.00 +ATOM 1523 HA1 GLY 102 25.255 54.314 39.634 1.00 0.00 +ATOM 1524 HA2 GLY 102 26.265 53.414 40.544 1.00 0.00 +ATOM 1525 C GLY 102 25.055 52.274 39.314 1.00 0.00 +ATOM 1526 O GLY 102 24.435 51.764 40.274 1.00 0.00 +ATOM 1527 N ASN 103 25.045 51.864 38.054 1.00 0.00 +ATOM 1528 H ASN 103 25.545 52.394 37.364 1.00 0.00 +ATOM 1529 CA ASN 103 24.325 50.664 37.664 1.00 0.00 +ATOM 1530 HA ASN 103 23.815 50.424 38.484 1.00 0.00 +ATOM 1531 CB ASN 103 23.225 50.914 36.634 1.00 0.00 +ATOM 1532 HB1 ASN 103 23.575 50.674 35.734 1.00 0.00 +ATOM 1533 HB2 ASN 103 22.985 51.884 36.654 1.00 0.00 +ATOM 1534 CG ASN 103 21.955 50.114 36.874 1.00 0.00 +ATOM 1535 OD1 ASN 103 21.755 49.444 37.914 1.00 0.00 +ATOM 1536 ND2 ASN 103 20.915 50.294 36.054 1.00 0.00 +ATOM 1537 HD21 ASN 103 20.985 50.944 35.304 1.00 0.00 +ATOM 1538 HD22 ASN 103 20.075 49.774 36.194 1.00 0.00 +ATOM 1539 C ASN 103 25.235 49.464 37.414 1.00 0.00 +ATOM 1540 O ASN 103 24.715 48.444 36.934 1.00 0.00 +ATOM 1541 N GLY 104 26.485 49.574 37.814 1.00 0.00 +ATOM 1542 H GLY 104 26.805 50.434 38.214 1.00 0.00 +ATOM 1543 CA GLY 104 27.425 48.434 37.674 1.00 0.00 +ATOM 1544 HA1 GLY 104 27.115 47.684 38.254 1.00 0.00 +ATOM 1545 HA2 GLY 104 28.335 48.714 37.954 1.00 0.00 +ATOM 1546 C GLY 104 27.415 48.004 36.204 1.00 0.00 +ATOM 1547 O GLY 104 27.395 48.904 35.354 1.00 0.00 +ATOM 1548 N MET 105 27.425 46.714 35.924 1.00 0.00 +ATOM 1549 H MET 105 27.375 46.044 36.674 1.00 0.00 +ATOM 1550 CA MET 105 27.525 46.234 34.534 1.00 0.00 +ATOM 1551 HA MET 105 28.055 46.924 34.054 1.00 0.00 +ATOM 1552 CB MET 105 28.285 44.914 34.444 1.00 0.00 +ATOM 1553 HB1 MET 105 28.145 44.524 33.534 1.00 0.00 +ATOM 1554 HB2 MET 105 27.915 44.284 35.134 1.00 0.00 +ATOM 1555 CG MET 105 29.765 45.084 34.684 1.00 0.00 +ATOM 1556 HG1 MET 105 29.855 45.354 35.644 1.00 0.00 +ATOM 1557 HG2 MET 105 30.045 45.844 34.094 1.00 0.00 +ATOM 1558 SD MET 105 30.625 43.524 34.304 1.00 0.00 +ATOM 1559 CE MET 105 30.615 43.574 32.514 1.00 0.00 +ATOM 1560 HE1 MET 105 31.065 42.754 32.164 1.00 0.00 +ATOM 1561 HE2 MET 105 29.665 43.594 32.194 1.00 0.00 +ATOM 1562 HE3 MET 105 31.105 44.384 32.204 1.00 0.00 +ATOM 1563 C MET 105 26.165 46.174 33.874 1.00 0.00 +ATOM 1564 O MET 105 26.145 45.784 32.684 1.00 0.00 +ATOM 1565 N ASN 106 25.145 46.704 34.554 1.00 0.00 +ATOM 1566 H ASN 106 25.275 47.054 35.474 1.00 0.00 +ATOM 1567 CA ASN 106 23.805 46.764 33.914 1.00 0.00 +ATOM 1568 HA ASN 106 23.625 45.834 33.584 1.00 0.00 +ATOM 1569 CB ASN 106 22.665 47.014 34.894 1.00 0.00 +ATOM 1570 HB1 ASN 106 21.825 47.204 34.394 1.00 0.00 +ATOM 1571 HB2 ASN 106 22.895 47.804 35.474 1.00 0.00 +ATOM 1572 CG ASN 106 22.455 45.804 35.784 1.00 0.00 +ATOM 1573 OD1 ASN 106 22.085 44.734 35.254 1.00 0.00 +ATOM 1574 ND2 ASN 106 22.785 45.914 37.074 1.00 0.00 +ATOM 1575 HD21 ASN 106 23.165 46.774 37.414 1.00 0.00 +ATOM 1576 HD22 ASN 106 22.665 45.134 37.684 1.00 0.00 +ATOM 1577 C ASN 106 23.815 47.694 32.704 1.00 0.00 +ATOM 1578 O ASN 106 22.925 47.614 31.834 1.00 0.00 +ATOM 1579 N ALA 107 24.865 48.514 32.614 1.00 0.00 +ATOM 1580 H ALA 107 25.525 48.534 33.364 1.00 0.00 +ATOM 1581 CA ALA 107 25.065 49.374 31.444 1.00 0.00 +ATOM 1582 HA ALA 107 24.225 49.914 31.374 1.00 0.00 +ATOM 1583 CB ALA 107 26.305 50.234 31.694 1.00 0.00 +ATOM 1584 HB1 ALA 107 26.455 50.834 30.904 1.00 0.00 +ATOM 1585 HB2 ALA 107 26.165 50.794 32.514 1.00 0.00 +ATOM 1586 HB3 ALA 107 27.105 49.644 31.824 1.00 0.00 +ATOM 1587 C ALA 107 25.255 48.604 30.144 1.00 0.00 +ATOM 1588 O ALA 107 24.975 49.154 29.074 1.00 0.00 +ATOM 1589 N TRP 108 25.615 47.324 30.244 1.00 0.00 +ATOM 1590 H TRP 108 25.785 46.934 31.154 1.00 0.00 +ATOM 1591 CA TRP 108 25.775 46.484 29.054 1.00 0.00 +ATOM 1592 HA TRP 108 25.825 47.094 28.264 1.00 0.00 +ATOM 1593 CB TRP 108 27.085 45.694 29.154 1.00 0.00 +ATOM 1594 HB1 TRP 108 27.075 44.934 28.494 1.00 0.00 +ATOM 1595 HB2 TRP 108 27.195 45.324 30.074 1.00 0.00 +ATOM 1596 CG TRP 108 28.245 46.604 28.844 1.00 0.00 +ATOM 1597 CD1 TRP 108 28.605 47.094 27.614 1.00 0.00 +ATOM 1598 HD1 TRP 108 28.165 46.864 26.744 1.00 0.00 +ATOM 1599 NE1 TRP 108 29.655 47.964 27.764 1.00 0.00 +ATOM 1600 HE1 TRP 108 30.135 48.424 27.014 1.00 0.00 +ATOM 1601 CE2 TRP 108 29.955 48.104 29.084 1.00 0.00 +ATOM 1602 CZ2 TRP 108 30.925 48.844 29.734 1.00 0.00 +ATOM 1603 HZ2 TRP 108 31.595 49.384 29.214 1.00 0.00 +ATOM 1604 CH2 TRP 108 30.935 48.824 31.114 1.00 0.00 +ATOM 1605 HH2 TRP 108 31.615 49.364 31.604 1.00 0.00 +ATOM 1606 CZ3 TRP 108 30.015 48.064 31.844 1.00 0.00 +ATOM 1607 HZ3 TRP 108 30.045 48.084 32.844 1.00 0.00 +ATOM 1608 CE3 TRP 108 29.075 47.294 31.194 1.00 0.00 +ATOM 1609 HE3 TRP 108 28.435 46.734 31.714 1.00 0.00 +ATOM 1610 CD2 TRP 108 29.045 47.304 29.804 1.00 0.00 +ATOM 1611 C TRP 108 24.565 45.554 28.924 1.00 0.00 +ATOM 1612 O TRP 108 24.485 44.684 29.804 1.00 0.00 +ATOM 1613 N VAL 109 23.735 45.784 27.914 1.00 0.00 +ATOM 1614 H VAL 109 23.925 46.494 27.234 1.00 0.00 +ATOM 1615 CA VAL 109 22.515 44.964 27.834 1.00 0.00 +ATOM 1616 HA VAL 109 22.115 45.044 28.754 1.00 0.00 +ATOM 1617 CB VAL 109 21.395 45.524 26.954 1.00 0.00 +ATOM 1618 HB VAL 109 21.145 46.404 27.374 1.00 0.00 +ATOM 1619 CG1 VAL 109 21.855 45.774 25.534 1.00 0.00 +ATOM 1620 HG11 VAL 109 21.095 46.134 24.994 1.00 0.00 +ATOM 1621 HG12 VAL 109 22.605 46.424 25.534 1.00 0.00 +ATOM 1622 HG13 VAL 109 22.155 44.904 25.124 1.00 0.00 +ATOM 1623 CG2 VAL 109 20.145 44.644 26.954 1.00 0.00 +ATOM 1624 HG21 VAL 109 19.455 45.064 26.364 1.00 0.00 +ATOM 1625 HG22 VAL 109 20.385 43.744 26.604 1.00 0.00 +ATOM 1626 HG23 VAL 109 19.785 44.564 27.884 1.00 0.00 +ATOM 1627 C VAL 109 22.815 43.474 27.694 1.00 0.00 +ATOM 1628 O VAL 109 22.165 42.674 28.404 1.00 0.00 +ATOM 1629 N ALA 110 23.805 43.174 26.884 1.00 0.00 +ATOM 1630 H ALA 110 24.315 43.924 26.464 1.00 0.00 +ATOM 1631 CA ALA 110 24.215 41.794 26.574 1.00 0.00 +ATOM 1632 HA ALA 110 23.365 41.354 26.294 1.00 0.00 +ATOM 1633 CB ALA 110 25.105 41.644 25.354 1.00 0.00 +ATOM 1634 HB1 ALA 110 25.325 40.674 25.234 1.00 0.00 +ATOM 1635 HB2 ALA 110 24.625 41.984 24.554 1.00 0.00 +ATOM 1636 HB3 ALA 110 25.945 42.164 25.494 1.00 0.00 +ATOM 1637 C ALA 110 24.745 41.104 27.824 1.00 0.00 +ATOM 1638 O ALA 110 24.445 39.914 27.984 1.00 0.00 +ATOM 1639 N TRP 111 25.365 41.844 28.704 1.00 0.00 +ATOM 1640 H TRP 111 25.555 42.804 28.474 1.00 0.00 +ATOM 1641 CA TRP 111 25.795 41.364 30.014 1.00 0.00 +ATOM 1642 HA TRP 111 26.355 40.554 29.814 1.00 0.00 +ATOM 1643 CB TRP 111 26.735 42.314 30.744 1.00 0.00 +ATOM 1644 HB1 TRP 111 26.275 43.194 30.874 1.00 0.00 +ATOM 1645 HB2 TRP 111 27.565 42.444 30.204 1.00 0.00 +ATOM 1646 CG TRP 111 27.105 41.764 32.064 1.00 0.00 +ATOM 1647 CD1 TRP 111 28.105 40.844 32.304 1.00 0.00 +ATOM 1648 HD1 TRP 111 28.735 40.494 31.604 1.00 0.00 +ATOM 1649 NE1 TRP 111 28.095 40.454 33.624 1.00 0.00 +ATOM 1650 HE1 TRP 111 28.745 39.824 34.054 1.00 0.00 +ATOM 1651 CE2 TRP 111 27.045 41.084 34.244 1.00 0.00 +ATOM 1652 CZ2 TRP 111 26.735 41.144 35.594 1.00 0.00 +ATOM 1653 HZ2 TRP 111 27.255 40.624 36.274 1.00 0.00 +ATOM 1654 CH2 TRP 111 25.685 41.974 35.974 1.00 0.00 +ATOM 1655 HH2 TRP 111 25.375 41.964 36.924 1.00 0.00 +ATOM 1656 CZ3 TRP 111 25.065 42.814 35.054 1.00 0.00 +ATOM 1657 HZ3 TRP 111 24.335 43.434 35.364 1.00 0.00 +ATOM 1658 CE3 TRP 111 25.425 42.824 33.724 1.00 0.00 +ATOM 1659 HE3 TRP 111 24.975 43.424 33.064 1.00 0.00 +ATOM 1660 CD2 TRP 111 26.445 41.954 33.314 1.00 0.00 +ATOM 1661 C TRP 111 24.585 40.944 30.864 1.00 0.00 +ATOM 1662 O TRP 111 24.525 39.854 31.454 1.00 0.00 +ATOM 1663 N ARG 112 23.685 41.904 31.044 1.00 0.00 +ATOM 1664 H ARG 112 23.865 42.804 30.664 1.00 0.00 +ATOM 1665 CA ARG 112 22.435 41.694 31.764 1.00 0.00 +ATOM 1666 HA ARG 112 22.745 41.594 32.714 1.00 0.00 +ATOM 1667 CB ARG 112 21.455 42.854 31.754 1.00 0.00 +ATOM 1668 HB1 ARG 112 20.815 42.674 32.504 1.00 0.00 +ATOM 1669 HB2 ARG 112 20.975 42.794 30.884 1.00 0.00 +ATOM 1670 CG ARG 112 21.835 44.304 31.904 1.00 0.00 +ATOM 1671 HG1 ARG 112 22.405 44.574 31.124 1.00 0.00 +ATOM 1672 HG2 ARG 112 22.355 44.424 32.754 1.00 0.00 +ATOM 1673 CD ARG 112 20.615 45.164 31.944 1.00 0.00 +ATOM 1674 HD1 ARG 112 20.845 46.044 32.354 1.00 0.00 +ATOM 1675 HD2 ARG 112 19.925 44.714 32.514 1.00 0.00 +ATOM 1676 NE ARG 112 20.025 45.414 30.654 1.00 0.00 +ATOM 1677 HE ARG 112 19.545 44.644 30.224 1.00 0.00 +ATOM 1678 CZ ARG 112 20.035 46.564 29.954 1.00 0.00 +ATOM 1679 NH1 ARG 112 20.845 47.584 30.194 1.00 0.00 +ATOM 1680 HH11 ARG 112 21.505 47.534 30.944 1.00 0.00 +ATOM 1681 HH12 ARG 112 20.785 48.404 29.634 1.00 0.00 +ATOM 1682 NH2 ARG 112 18.965 46.874 29.214 1.00 0.00 +ATOM 1683 HH21 ARG 112 18.175 46.254 29.184 1.00 0.00 +ATOM 1684 HH22 ARG 112 18.955 47.724 28.684 1.00 0.00 +ATOM 1685 C ARG 112 21.715 40.454 31.204 1.00 0.00 +ATOM 1686 O ARG 112 21.245 39.654 32.034 1.00 0.00 +ATOM 1687 N ASN 113 21.555 40.384 29.884 1.00 0.00 +ATOM 1688 H ASN 113 22.005 41.054 29.294 1.00 0.00 +ATOM 1689 CA ASN 113 20.705 39.324 29.304 1.00 0.00 +ATOM 1690 HA ASN 113 19.905 39.334 29.894 1.00 0.00 +ATOM 1691 CB ASN 113 20.215 39.644 27.894 1.00 0.00 +ATOM 1692 HB1 ASN 113 19.745 38.834 27.544 1.00 0.00 +ATOM 1693 HB2 ASN 113 21.005 39.854 27.324 1.00 0.00 +ATOM 1694 CG ASN 113 19.245 40.824 27.834 1.00 0.00 +ATOM 1695 OD1 ASN 113 18.695 41.204 28.874 1.00 0.00 +ATOM 1696 ND2 ASN 113 19.085 41.424 26.654 1.00 0.00 +ATOM 1697 HD21 ASN 113 19.585 41.084 25.854 1.00 0.00 +ATOM 1698 HD22 ASN 113 18.465 42.194 26.574 1.00 0.00 +ATOM 1699 C ASN 113 21.355 37.944 29.404 1.00 0.00 +ATOM 1700 O ASN 113 20.695 36.914 29.624 1.00 0.00 +ATOM 1701 N ARG 114 22.645 37.904 29.164 1.00 0.00 +ATOM 1702 H ARG 114 23.155 38.764 29.214 1.00 0.00 +ATOM 1703 CA ARG 114 23.405 36.704 28.854 1.00 0.00 +ATOM 1704 HA ARG 114 22.735 35.974 29.024 1.00 0.00 +ATOM 1705 CB ARG 114 23.865 36.774 27.394 1.00 0.00 +ATOM 1706 HB1 ARG 114 24.585 36.094 27.224 1.00 0.00 +ATOM 1707 HB2 ARG 114 24.225 37.684 27.184 1.00 0.00 +ATOM 1708 CG ARG 114 22.645 36.474 26.514 1.00 0.00 +ATOM 1709 HG1 ARG 114 22.005 37.244 26.564 1.00 0.00 +ATOM 1710 HG2 ARG 114 22.185 35.654 26.844 1.00 0.00 +ATOM 1711 CD ARG 114 22.975 36.264 25.084 1.00 0.00 +ATOM 1712 HD1 ARG 114 22.175 35.924 24.594 1.00 0.00 +ATOM 1713 HD2 ARG 114 23.715 35.594 25.004 1.00 0.00 +ATOM 1714 NE ARG 114 23.395 37.544 24.514 1.00 0.00 +ATOM 1715 HE ARG 114 23.965 38.144 25.074 1.00 0.00 +ATOM 1716 CZ ARG 114 23.075 37.944 23.274 1.00 0.00 +ATOM 1717 NH1 ARG 114 22.625 37.094 22.354 1.00 0.00 +ATOM 1718 HH11 ARG 114 22.525 36.124 22.584 1.00 0.00 +ATOM 1719 HH12 ARG 114 22.385 37.414 21.444 1.00 0.00 +ATOM 1720 NH2 ARG 114 22.975 39.254 23.014 1.00 0.00 +ATOM 1721 HH21 ARG 114 23.155 39.924 23.744 1.00 0.00 +ATOM 1722 HH22 ARG 114 22.735 39.564 22.104 1.00 0.00 +ATOM 1723 C ARG 114 24.505 36.304 29.804 1.00 0.00 +ATOM 1724 O ARG 114 24.755 35.084 29.914 1.00 0.00 +ATOM 1725 N CYS 115 24.985 37.234 30.584 1.00 0.00 +ATOM 1726 H CYS 115 24.615 38.164 30.554 1.00 0.00 +ATOM 1727 CA CYS 115 26.085 36.904 31.524 1.00 0.00 +ATOM 1728 HA CYS 115 26.365 35.964 31.334 1.00 0.00 +ATOM 1729 CB CYS 115 27.235 37.884 31.244 1.00 0.00 +ATOM 1730 HB1 CYS 115 27.965 37.614 31.874 1.00 0.00 +ATOM 1731 HB2 CYS 115 26.875 38.774 31.504 1.00 0.00 +ATOM 1732 SG CYS 115 27.805 37.874 29.554 1.00 0.00 +ATOM 1733 C CYS 115 25.695 36.794 32.974 1.00 0.00 +ATOM 1734 O CYS 115 26.215 35.984 33.754 1.00 0.00 +ATOM 1735 N LYS 116 24.955 37.784 33.434 1.00 0.00 +ATOM 1736 H LYS 116 24.635 38.464 32.784 1.00 0.00 +ATOM 1737 CA LYS 116 24.575 37.954 34.844 1.00 0.00 +ATOM 1738 HA LYS 116 25.395 38.054 35.414 1.00 0.00 +ATOM 1739 CB LYS 116 23.735 39.224 34.944 1.00 0.00 +ATOM 1740 HB1 LYS 116 22.985 39.174 34.284 1.00 0.00 +ATOM 1741 HB2 LYS 116 24.315 40.014 34.724 1.00 0.00 +ATOM 1742 CG LYS 116 23.175 39.374 36.364 1.00 0.00 +ATOM 1743 HG1 LYS 116 23.895 39.724 36.964 1.00 0.00 +ATOM 1744 HG2 LYS 116 22.875 38.484 36.694 1.00 0.00 +ATOM 1745 CD LYS 116 21.985 40.344 36.364 1.00 0.00 +ATOM 1746 HD1 LYS 116 21.145 39.844 36.184 1.00 0.00 +ATOM 1747 HD2 LYS 116 22.125 41.044 35.664 1.00 0.00 +ATOM 1748 CE LYS 116 21.905 41.014 37.734 1.00 0.00 +ATOM 1749 HE1 LYS 116 22.715 41.584 37.874 1.00 0.00 +ATOM 1750 HE2 LYS 116 21.865 40.304 38.444 1.00 0.00 +ATOM 1751 NZ LYS 116 20.695 41.874 37.864 1.00 0.00 +ATOM 1752 HZ1 LYS 116 20.685 42.294 38.774 1.00 0.00 +ATOM 1753 HZ2 LYS 116 20.725 42.594 37.164 1.00 0.00 +ATOM 1754 HZ3 LYS 116 19.875 41.324 37.734 1.00 0.00 +ATOM 1755 C LYS 116 23.875 36.684 35.334 1.00 0.00 +ATOM 1756 O LYS 116 23.065 36.094 34.604 1.00 0.00 +ATOM 1757 N GLY 117 24.395 36.184 36.454 1.00 0.00 +ATOM 1758 H GLY 117 25.195 36.614 36.864 1.00 0.00 +ATOM 1759 CA GLY 117 23.805 34.994 37.084 1.00 0.00 +ATOM 1760 HA1 GLY 117 22.815 35.054 36.964 1.00 0.00 +ATOM 1761 HA2 GLY 117 24.025 35.034 38.054 1.00 0.00 +ATOM 1762 C GLY 117 24.265 33.644 36.544 1.00 0.00 +ATOM 1763 O GLY 117 23.745 32.594 36.974 1.00 0.00 +ATOM 1764 N THR 118 25.135 33.664 35.554 1.00 0.00 +ATOM 1765 H THR 118 25.415 34.554 35.174 1.00 0.00 +ATOM 1766 CA THR 118 25.715 32.444 34.984 1.00 0.00 +ATOM 1767 HA THR 118 25.135 31.684 35.294 1.00 0.00 +ATOM 1768 CB THR 118 25.685 32.434 33.414 1.00 0.00 +ATOM 1769 HB THR 118 25.815 31.524 33.004 1.00 0.00 +ATOM 1770 CG2 THR 118 24.345 32.964 32.884 1.00 0.00 +ATOM 1771 HG21 THR 118 24.345 32.954 31.884 1.00 0.00 +ATOM 1772 HG22 THR 118 23.595 32.394 33.224 1.00 0.00 +ATOM 1773 HG23 THR 118 24.205 33.904 33.204 1.00 0.00 +ATOM 1774 OG1 THR 118 26.805 33.264 32.974 1.00 0.00 +ATOM 1775 HG1 THR 118 26.825 33.294 31.974 1.00 0.00 +ATOM 1776 C THR 118 27.115 32.244 35.574 1.00 0.00 +ATOM 1777 O THR 118 27.565 32.984 36.464 1.00 0.00 +ATOM 1778 N ASP 119 27.635 31.074 35.244 1.00 0.00 +ATOM 1779 H ASP 119 27.065 30.424 34.744 1.00 0.00 +ATOM 1780 CA ASP 119 29.015 30.694 35.574 1.00 0.00 +ATOM 1781 HA ASP 119 29.205 30.994 36.504 1.00 0.00 +ATOM 1782 CB ASP 119 29.175 29.174 35.554 1.00 0.00 +ATOM 1783 HB1 ASP 119 28.985 28.834 34.634 1.00 0.00 +ATOM 1784 HB2 ASP 119 28.535 28.774 36.204 1.00 0.00 +ATOM 1785 CG ASP 119 30.595 28.764 35.934 1.00 0.00 +ATOM 1786 OD1 ASP 119 31.295 29.494 36.644 1.00 0.00 +ATOM 1787 OD2 ASP 119 30.965 27.614 35.614 1.00 0.00 +ATOM 1788 C ASP 119 29.955 31.404 34.594 1.00 0.00 +ATOM 1789 O ASP 119 30.425 30.814 33.594 1.00 0.00 +ATOM 1790 N VAL 120 30.235 32.654 34.904 1.00 0.00 +ATOM 1791 H VAL 120 29.805 33.044 35.724 1.00 0.00 +ATOM 1792 CA VAL 120 31.135 33.504 34.124 1.00 0.00 +ATOM 1793 HA VAL 120 30.805 33.324 33.194 1.00 0.00 +ATOM 1794 CB VAL 120 30.965 34.994 34.444 1.00 0.00 +ATOM 1795 HB VAL 120 31.645 35.514 33.914 1.00 0.00 +ATOM 1796 CG1 VAL 120 29.605 35.514 33.994 1.00 0.00 +ATOM 1797 HG11 VAL 120 29.525 36.494 34.224 1.00 0.00 +ATOM 1798 HG12 VAL 120 29.505 35.394 33.014 1.00 0.00 +ATOM 1799 HG13 VAL 120 28.875 35.014 34.464 1.00 0.00 +ATOM 1800 CG2 VAL 120 31.335 35.344 35.864 1.00 0.00 +ATOM 1801 HG21 VAL 120 31.205 36.324 36.014 1.00 0.00 +ATOM 1802 HG22 VAL 120 30.745 34.834 36.494 1.00 0.00 +ATOM 1803 HG23 VAL 120 32.285 35.104 36.034 1.00 0.00 +ATOM 1804 C VAL 120 32.585 33.064 34.114 1.00 0.00 +ATOM 1805 O VAL 120 33.345 33.464 33.224 1.00 0.00 +ATOM 1806 N GLN 121 32.945 32.294 35.124 1.00 0.00 +ATOM 1807 H GLN 121 32.295 32.144 35.864 1.00 0.00 +ATOM 1808 CA GLN 121 34.265 31.644 35.204 1.00 0.00 +ATOM 1809 HA GLN 121 34.955 32.374 35.154 1.00 0.00 +ATOM 1810 CB GLN 121 34.335 30.914 36.544 1.00 0.00 +ATOM 1811 HB1 GLN 121 33.965 29.984 36.444 1.00 0.00 +ATOM 1812 HB2 GLN 121 33.805 31.414 37.234 1.00 0.00 +ATOM 1813 CG GLN 121 35.775 30.824 36.984 1.00 0.00 +ATOM 1814 HG1 GLN 121 36.265 31.644 36.674 1.00 0.00 +ATOM 1815 HG2 GLN 121 36.195 30.014 36.574 1.00 0.00 +ATOM 1816 CD GLN 121 35.865 30.744 38.484 1.00 0.00 +ATOM 1817 OE1 GLN 121 36.615 31.494 39.094 1.00 0.00 +ATOM 1818 NE2 GLN 121 35.125 29.734 38.964 1.00 0.00 +ATOM 1819 HE21 GLN 121 34.615 29.154 38.334 1.00 0.00 +ATOM 1820 HE22 GLN 121 35.095 29.564 39.954 1.00 0.00 +ATOM 1821 C GLN 121 34.565 30.724 34.024 1.00 0.00 +ATOM 1822 O GLN 121 35.725 30.534 33.634 1.00 0.00 +ATOM 1823 N ALA 122 33.545 30.134 33.394 1.00 0.00 +ATOM 1824 H ALA 122 32.645 30.194 33.824 1.00 0.00 +ATOM 1825 CA ALA 122 33.635 29.414 32.124 1.00 0.00 +ATOM 1826 HA ALA 122 34.125 28.574 32.374 1.00 0.00 +ATOM 1827 CB ALA 122 32.245 29.104 31.594 1.00 0.00 +ATOM 1828 HB1 ALA 122 32.315 28.614 30.734 1.00 0.00 +ATOM 1829 HB2 ALA 122 31.755 28.544 32.264 1.00 0.00 +ATOM 1830 HB3 ALA 122 31.745 29.964 31.454 1.00 0.00 +ATOM 1831 C ALA 122 34.435 30.154 31.044 1.00 0.00 +ATOM 1832 O ALA 122 35.275 29.574 30.334 1.00 0.00 +ATOM 1833 N TRP 123 34.265 31.484 31.054 1.00 0.00 +ATOM 1834 H TRP 123 33.655 31.884 31.734 1.00 0.00 +ATOM 1835 CA TRP 123 34.945 32.364 30.094 1.00 0.00 +ATOM 1836 HA TRP 123 34.825 31.924 29.204 1.00 0.00 +ATOM 1837 CB TRP 123 34.275 33.734 30.164 1.00 0.00 +ATOM 1838 HB1 TRP 123 34.765 34.384 29.584 1.00 0.00 +ATOM 1839 HB2 TRP 123 34.255 34.064 31.104 1.00 0.00 +ATOM 1840 CG TRP 123 32.865 33.594 29.664 1.00 0.00 +ATOM 1841 CD1 TRP 123 31.725 33.474 30.404 1.00 0.00 +ATOM 1842 HD1 TRP 123 31.695 33.484 31.404 1.00 0.00 +ATOM 1843 NE1 TRP 123 30.645 33.324 29.584 1.00 0.00 +ATOM 1844 HE1 TRP 123 29.695 33.274 29.894 1.00 0.00 +ATOM 1845 CE2 TRP 123 31.075 33.254 28.294 1.00 0.00 +ATOM 1846 CZ2 TRP 123 30.355 33.044 27.124 1.00 0.00 +ATOM 1847 HZ2 TRP 123 29.365 32.944 27.134 1.00 0.00 +ATOM 1848 CH2 TRP 123 31.075 32.994 25.944 1.00 0.00 +ATOM 1849 HH2 TRP 123 30.605 32.804 25.084 1.00 0.00 +ATOM 1850 CZ3 TRP 123 32.465 33.194 25.924 1.00 0.00 +ATOM 1851 HZ3 TRP 123 32.945 33.234 25.054 1.00 0.00 +ATOM 1852 CE3 TRP 123 33.195 33.334 27.094 1.00 0.00 +ATOM 1853 HE3 TRP 123 34.195 33.374 27.084 1.00 0.00 +ATOM 1854 CD2 TRP 123 32.485 33.414 28.294 1.00 0.00 +ATOM 1855 C TRP 123 36.465 32.444 30.204 1.00 0.00 +ATOM 1856 O TRP 123 37.155 32.804 29.224 1.00 0.00 +ATOM 1857 N ILE 124 36.985 32.134 31.364 1.00 0.00 +ATOM 1858 H ILE 124 36.375 31.874 32.114 1.00 0.00 +ATOM 1859 CA ILE 124 38.435 32.154 31.614 1.00 0.00 +ATOM 1860 HA ILE 124 38.815 32.374 30.714 1.00 0.00 +ATOM 1861 CB ILE 124 38.745 33.264 32.674 1.00 0.00 +ATOM 1862 HB ILE 124 39.735 33.364 32.804 1.00 0.00 +ATOM 1863 CG2 ILE 124 38.265 34.664 32.204 1.00 0.00 +ATOM 1864 HG21 ILE 124 38.485 35.354 32.904 1.00 0.00 +ATOM 1865 HG22 ILE 124 38.735 34.904 31.344 1.00 0.00 +ATOM 1866 HG23 ILE 124 37.285 34.644 32.054 1.00 0.00 +ATOM 1867 CG1 ILE 124 38.205 32.844 34.044 1.00 0.00 +ATOM 1868 HG11 ILE 124 38.165 31.844 34.064 1.00 0.00 +ATOM 1869 HG12 ILE 124 37.275 33.214 34.124 1.00 0.00 +ATOM 1870 CD ILE 124 38.975 33.304 35.304 1.00 0.00 +ATOM 1871 HD1 ILE 124 38.515 32.964 36.124 1.00 0.00 +ATOM 1872 HD2 ILE 124 39.905 32.934 35.274 1.00 0.00 +ATOM 1873 HD3 ILE 124 39.005 34.304 35.334 1.00 0.00 +ATOM 1874 C ILE 124 39.105 30.824 31.834 1.00 0.00 +ATOM 1875 O ILE 124 40.345 30.754 31.944 1.00 0.00 +ATOM 1876 N ARG 125 38.325 29.764 31.944 1.00 0.00 +ATOM 1877 H ARG 125 37.335 29.894 31.894 1.00 0.00 +ATOM 1878 CA ARG 125 38.835 28.394 32.134 1.00 0.00 +ATOM 1879 HA ARG 125 39.465 28.424 32.914 1.00 0.00 +ATOM 1880 CB ARG 125 37.725 27.414 32.464 1.00 0.00 +ATOM 1881 HB1 ARG 125 38.025 26.494 32.224 1.00 0.00 +ATOM 1882 HB2 ARG 125 36.915 27.654 31.924 1.00 0.00 +ATOM 1883 CG ARG 125 37.365 27.464 33.964 1.00 0.00 +ATOM 1884 HG1 ARG 125 36.845 28.294 34.164 1.00 0.00 +ATOM 1885 HG2 ARG 125 38.195 27.444 34.514 1.00 0.00 +ATOM 1886 CD ARG 125 36.525 26.254 34.294 1.00 0.00 +ATOM 1887 HD1 ARG 125 37.095 25.534 34.674 1.00 0.00 +ATOM 1888 HD2 ARG 125 36.055 25.924 33.474 1.00 0.00 +ATOM 1889 NE ARG 125 35.525 26.614 35.284 1.00 0.00 +ATOM 1890 HE ARG 125 35.875 26.704 36.214 1.00 0.00 +ATOM 1891 CZ ARG 125 34.225 26.854 35.144 1.00 0.00 +ATOM 1892 NH1 ARG 125 33.575 26.554 34.024 1.00 0.00 +ATOM 1893 HH11 ARG 125 34.075 26.134 33.254 1.00 0.00 +ATOM 1894 HH12 ARG 125 32.605 26.744 33.944 1.00 0.00 +ATOM 1895 NH2 ARG 125 33.635 27.414 36.204 1.00 0.00 +ATOM 1896 HH21 ARG 125 34.175 27.614 37.024 1.00 0.00 +ATOM 1897 HH22 ARG 125 32.655 27.624 36.184 1.00 0.00 +ATOM 1898 C ARG 125 39.555 27.974 30.854 1.00 0.00 +ATOM 1899 O ARG 125 39.085 28.204 29.724 1.00 0.00 +ATOM 1900 N GLY 126 40.745 27.434 31.054 1.00 0.00 +ATOM 1901 H GLY 126 41.105 27.364 31.984 1.00 0.00 +ATOM 1902 CA GLY 126 41.535 26.924 29.914 1.00 0.00 +ATOM 1903 HA1 GLY 126 40.915 26.734 29.154 1.00 0.00 +ATOM 1904 HA2 GLY 126 41.985 26.074 30.194 1.00 0.00 +ATOM 1905 C GLY 126 42.575 27.934 29.474 1.00 0.00 +ATOM 1906 O GLY 126 43.465 27.594 28.664 1.00 0.00 +ATOM 1907 N CYS 127 42.585 29.084 30.114 1.00 0.00 +ATOM 1908 H CYS 127 41.935 29.214 30.864 1.00 0.00 +ATOM 1909 CA CYS 127 43.475 30.194 29.774 1.00 0.00 +ATOM 1910 HA CYS 127 43.825 30.034 28.854 1.00 0.00 +ATOM 1911 CB CYS 127 42.695 31.494 29.804 1.00 0.00 +ATOM 1912 HB1 CYS 127 43.395 32.174 29.584 1.00 0.00 +ATOM 1913 HB2 CYS 127 42.455 31.574 30.774 1.00 0.00 +ATOM 1914 SG CYS 127 41.255 31.684 28.754 1.00 0.00 +ATOM 1915 C CYS 127 44.665 30.244 30.744 1.00 0.00 +ATOM 1916 O CYS 127 44.455 30.134 31.954 1.00 0.00 +ATOM 1917 N ARG 128 45.835 30.554 30.204 1.00 0.00 +ATOM 1918 H ARG 128 45.905 30.614 29.214 1.00 0.00 +ATOM 1919 CA ARG 128 47.015 30.824 31.034 1.00 0.00 +ATOM 1920 HA ARG 128 46.905 30.334 31.894 1.00 0.00 +ATOM 1921 CB ARG 128 48.295 30.164 30.524 1.00 0.00 +ATOM 1922 HB1 ARG 128 49.075 30.734 30.794 1.00 0.00 +ATOM 1923 HB2 ARG 128 48.245 30.114 29.524 1.00 0.00 +ATOM 1924 CG ARG 128 48.475 28.754 31.094 1.00 0.00 +ATOM 1925 HG1 ARG 128 49.085 28.224 30.494 1.00 0.00 +ATOM 1926 HG2 ARG 128 47.585 28.294 31.154 1.00 0.00 +ATOM 1927 CD ARG 128 49.075 28.774 32.464 1.00 0.00 +ATOM 1928 HD1 ARG 128 48.985 27.874 32.884 1.00 0.00 +ATOM 1929 HD2 ARG 128 48.595 29.454 33.024 1.00 0.00 +ATOM 1930 NE ARG 128 50.495 29.124 32.454 1.00 0.00 +ATOM 1931 HE ARG 128 51.075 28.544 31.884 1.00 0.00 +ATOM 1932 CZ ARG 128 51.105 30.124 33.094 1.00 0.00 +ATOM 1933 NH1 ARG 128 50.485 30.934 33.964 1.00 0.00 +ATOM 1934 HH11 ARG 128 49.515 30.804 34.154 1.00 0.00 +ATOM 1935 HH12 ARG 128 50.995 31.664 34.424 1.00 0.00 +ATOM 1936 NH2 ARG 128 52.375 30.414 32.784 1.00 0.00 +ATOM 1937 HH21 ARG 128 52.855 29.894 32.084 1.00 0.00 +ATOM 1938 HH22 ARG 128 52.845 31.164 33.264 1.00 0.00 +ATOM 1939 C ARG 128 47.065 32.304 31.394 1.00 0.00 +ATOM 1940 O ARG 128 47.225 33.154 30.504 1.00 0.00 +ATOM 1941 N LEU 129 46.535 32.574 32.584 1.00 0.00 +ATOM 1942 H LEU 129 46.255 31.814 33.164 1.00 0.00 +ATOM 1943 CA LEU 129 46.335 33.944 33.084 1.00 0.00 +ATOM 1944 HA LEU 129 46.525 34.584 32.334 1.00 0.00 +ATOM 1945 CB LEU 129 44.885 34.204 33.464 1.00 0.00 +ATOM 1946 HB1 LEU 129 44.875 34.824 34.234 1.00 0.00 +ATOM 1947 HB2 LEU 129 44.495 33.324 33.744 1.00 0.00 +ATOM 1948 CG LEU 129 43.935 34.784 32.434 1.00 0.00 +ATOM 1949 HG LEU 129 43.945 35.774 32.534 1.00 0.00 +ATOM 1950 CD1 LEU 129 44.355 34.524 31.004 1.00 0.00 +ATOM 1951 HD11 LEU 129 43.695 34.934 30.384 1.00 0.00 +ATOM 1952 HD12 LEU 129 45.255 34.924 30.844 1.00 0.00 +ATOM 1953 HD13 LEU 129 44.405 33.534 30.844 1.00 0.00 +ATOM 1954 CD2 LEU 129 42.555 34.184 32.704 1.00 0.00 +ATOM 1955 HD21 LEU 129 41.905 34.554 32.034 1.00 0.00 +ATOM 1956 HD22 LEU 129 42.595 33.194 32.614 1.00 0.00 +ATOM 1957 HD23 LEU 129 42.265 34.434 33.624 1.00 0.00 +ATOM 1958 C LEU 129 47.365 34.244 34.184 1.00 0.00 +ATOM 1959 OC1 LEU 129 48.475 34.544 33.724 1.00 0.00 +ATOM 1960 OC2 LEU 129 46.975 34.144 35.374 1.00 0.00 +TER +ENDMDL diff --git a/biobb_wf_md_setup/tests/python/reference/step6_solvate/solvate.gro b/biobb_wf_md_setup/tests/python/reference/step6_solvate/solvate.gro new file mode 100644 index 0000000..de724e1 --- /dev/null +++ b/biobb_wf_md_setup/tests/python/reference/step6_solvate/solvate.gro @@ -0,0 +1,21778 @@ +GRowing Old MAkes el Chrono Sweat +21775 + 1LYS N 1 4.061 4.420 1.483 + 1LYS H1 2 3.997 4.400 1.409 + 1LYS H2 3 4.015 4.471 1.555 + 1LYS H3 4 4.136 4.475 1.447 + 1LYS CA 5 4.114 4.293 1.538 + 1LYS HA 6 4.157 4.241 1.465 + 1LYS CB 7 4.212 4.330 1.650 + 1LYS HB1 8 4.163 4.387 1.717 + 1LYS HB2 9 4.287 4.381 1.611 + 1LYS CG 10 4.269 4.211 1.725 + 1LYS HG1 11 4.294 4.140 1.658 + 1LYS HG2 12 4.201 4.175 1.787 + 1LYS CD 13 4.393 4.251 1.804 + 1LYS HD1 14 4.373 4.333 1.857 + 1LYS HD2 15 4.470 4.269 1.741 + 1LYS CE 16 4.431 4.137 1.897 + 1LYS HE1 17 4.431 4.050 1.848 + 1LYS HE2 18 4.365 4.132 1.973 + 1LYS NZ 19 4.567 4.163 1.951 + 1LYS HZ1 20 4.594 4.089 2.013 + 1LYS HZ2 21 4.633 4.168 1.875 + 1LYS HZ3 22 4.567 4.250 2.001 + 1LYS C 23 3.999 4.212 1.597 + 1LYS O 24 3.920 4.267 1.673 + 2VAL N 25 3.999 4.082 1.577 + 2VAL H 26 4.061 4.046 1.507 + 2VAL CA 27 3.914 3.986 1.648 + 2VAL HA 28 3.842 4.038 1.691 + 2VAL CB 29 3.839 3.889 1.558 + 2VAL HB 30 3.911 3.838 1.511 + 2VAL CG1 31 3.750 3.794 1.638 + 2VAL HG11 32 3.701 3.733 1.575 + 2VAL HG12 33 3.806 3.741 1.700 + 2VAL HG13 34 3.682 3.847 1.690 + 2VAL CG2 35 3.753 3.957 1.452 + 2VAL HG21 36 3.707 3.888 1.397 + 2VAL HG22 37 3.687 4.016 1.496 + 2VAL HG23 38 3.812 4.013 1.393 + 2VAL C 39 4.004 3.917 1.752 + 2VAL O 40 4.101 3.847 1.715 + 3PHE N 41 3.974 3.941 1.877 + 3PHE H 42 3.899 4.005 1.897 + 3PHE CA 43 4.043 3.876 1.989 + 3PHE HA 44 4.140 3.883 1.964 + 3PHE CB 45 4.022 3.949 2.122 + 3PHE HB1 46 4.030 3.884 2.197 + 3PHE HB2 47 3.930 3.988 2.123 + 3PHE CG 48 4.119 4.060 2.143 + 3PHE CD1 49 4.091 4.191 2.101 + 3PHE HD1 50 4.005 4.211 2.054 + 3PHE CE1 51 4.182 4.294 2.124 + 3PHE HE1 52 4.173 4.381 2.077 + 3PHE CZ 53 4.288 4.273 2.214 + 3PHE HZ 54 4.346 4.350 2.242 + 3PHE CE2 55 4.312 4.145 2.265 + 3PHE HE2 56 4.391 4.128 2.324 + 3PHE CD2 57 4.225 4.042 2.234 + 3PHE HD2 58 4.238 3.952 2.276 + 3PHE C 59 3.999 3.730 2.004 + 3PHE O 60 3.876 3.702 1.995 + 4GLY N 61 4.096 3.650 2.048 + 4GLY H 62 4.192 3.681 2.049 + 4GLY CA 63 4.062 3.514 2.094 + 4GLY HA1 64 4.141 3.454 2.087 + 4GLY HA2 65 3.987 3.478 2.038 + 4GLY C 66 4.016 3.528 2.239 + 4GLY O 67 4.055 3.626 2.303 + 5ARG N 68 3.930 3.440 2.284 + 5ARG H 69 3.895 3.370 2.221 + 5ARG CA 70 3.881 3.440 2.422 + 5ARG HA 71 3.822 3.520 2.429 + 5ARG CB 72 3.800 3.312 2.448 + 5ARG HB1 73 3.861 3.233 2.434 + 5ARG HB2 74 3.724 3.308 2.384 + 5ARG CG 75 3.746 3.306 2.589 + 5ARG HG1 76 3.690 3.387 2.606 + 5ARG HG2 77 3.822 3.303 2.654 + 5ARG CD 78 3.662 3.186 2.609 + 5ARG HD1 79 3.585 3.191 2.546 + 5ARG HD2 80 3.628 3.185 2.703 + 5ARG NE 81 3.730 3.061 2.585 + 5ARG HE 82 3.727 3.026 2.492 + 5ARG CZ 83 3.797 2.987 2.671 + 5ARG NH1 84 3.809 3.019 2.800 + 5ARG HH11 85 3.763 3.102 2.834 + 5ARG HH12 86 3.861 2.961 2.862 + 5ARG NH2 87 3.849 2.870 2.628 + 5ARG HH21 88 3.836 2.841 2.534 + 5ARG HH22 89 3.901 2.812 2.691 + 5ARG C 90 3.991 3.459 2.525 + 5ARG O 91 3.991 3.551 2.611 + 6CYS N 92 4.091 3.371 2.520 + 6CYS H 93 4.091 3.302 2.448 + 6CYS CA 94 4.202 3.373 2.616 + 6CYS HA 95 4.155 3.388 2.703 + 6CYS CB 96 4.273 3.239 2.619 + 6CYS HB1 97 4.359 3.258 2.668 + 6CYS HB2 98 4.294 3.220 2.523 + 6CYS SG 99 4.179 3.106 2.695 + 6CYS C 100 4.299 3.491 2.603 + 6CYS O 101 4.339 3.547 2.707 + 7GLU N 102 4.311 3.534 2.479 + 7GLU H 103 4.265 3.486 2.405 + 7GLU CA 104 4.392 3.655 2.450 + 7GLU HA 105 4.484 3.641 2.488 + 7GLU CB 106 4.403 3.671 2.299 + 7GLU HB1 107 4.310 3.675 2.264 + 7GLU HB2 108 4.448 3.588 2.264 + 7GLU CG 109 4.478 3.791 2.243 + 7GLU HG1 110 4.574 3.784 2.274 + 7GLU HG2 111 4.438 3.873 2.282 + 7GLU CD 112 4.483 3.810 2.094 + 7GLU OE1 113 4.391 3.750 2.032 + 7GLU OE2 114 4.567 3.881 2.043 + 7GLU C 115 4.330 3.779 2.515 + 7GLU O 116 4.398 3.859 2.580 + 8LEU N 117 4.199 3.791 2.499 + 8LEU H 118 4.150 3.721 2.446 + 8LEU CA 119 4.121 3.902 2.556 + 8LEU HA 120 4.165 3.987 2.525 + 8LEU CB 121 3.977 3.903 2.500 + 8LEU HB1 122 3.931 3.819 2.528 + 8LEU HB2 123 3.981 3.908 2.400 + 8LEU CG 124 3.897 4.021 2.550 + 8LEU HG 125 3.902 4.028 2.650 + 8LEU CD1 126 3.954 4.152 2.497 + 8LEU HD11 127 3.901 4.229 2.531 + 8LEU HD12 128 4.049 4.161 2.528 + 8LEU HD13 129 3.951 4.151 2.397 + 8LEU CD2 130 3.750 4.000 2.521 + 8LEU HD21 131 3.697 4.079 2.555 + 8LEU HD22 132 3.736 3.991 2.423 + 8LEU HD23 133 3.717 3.917 2.567 + 8LEU C 134 4.129 3.899 2.708 + 8LEU O 135 4.141 4.003 2.773 + 9ALA N 136 4.100 3.784 2.764 + 9ALA H 137 4.070 3.708 2.705 + 9ALA CA 138 4.109 3.762 2.909 + 9ALA HA 139 4.032 3.812 2.950 + 9ALA CB 140 4.090 3.615 2.943 + 9ALA HB1 141 4.096 3.602 3.042 + 9ALA HB2 142 4.001 3.584 2.911 + 9ALA HB3 143 4.161 3.561 2.899 + 9ALA C 144 4.239 3.817 2.965 + 9ALA O 145 4.240 3.884 3.071 + 10ALA N 146 4.352 3.784 2.901 + 10ALA H 147 4.345 3.725 2.821 + 10ALA CA 148 4.485 3.829 2.943 + 10ALA HA 149 4.494 3.805 3.039 + 10ALA CB 150 4.595 3.757 2.865 + 10ALA HB1 151 4.685 3.789 2.896 + 10ALA HB2 152 4.589 3.658 2.882 + 10ALA HB3 153 4.584 3.775 2.767 + 10ALA C 154 4.498 3.980 2.927 + 10ALA O 155 4.543 4.036 3.028 + 11ALA N 156 4.448 4.038 2.820 + 11ALA H 157 4.405 3.981 2.748 + 11ALA CA 158 4.451 4.184 2.803 + 11ALA HA 159 4.548 4.209 2.814 + 11ALA CB 160 4.411 4.228 2.663 + 11ALA HB1 161 4.416 4.328 2.657 + 11ALA HB2 162 4.475 4.188 2.597 + 11ALA HB3 163 4.319 4.197 2.644 + 11ALA C 164 4.373 4.256 2.913 + 11ALA O 165 4.419 4.352 2.976 + 12MET N 166 4.253 4.207 2.940 + 12MET H 167 4.221 4.128 2.888 + 12MET CA 168 4.165 4.264 3.042 + 12MET HA 169 4.159 4.361 3.020 + 12MET CB 170 4.023 4.207 3.033 + 12MET HB1 171 3.970 4.236 3.112 + 12MET HB2 172 4.029 4.107 3.029 + 12MET CG 173 3.957 4.258 2.908 + 12MET HG1 174 4.015 4.230 2.831 + 12MET HG2 175 3.957 4.358 2.914 + 12MET SD 176 3.787 4.185 2.904 + 12MET CE 177 3.704 4.300 2.795 + 12MET HE1 178 3.609 4.271 2.784 + 12MET HE2 179 3.707 4.391 2.834 + 12MET HE3 180 3.749 4.300 2.706 + 12MET C 181 4.223 4.258 3.182 + 12MET O 182 4.215 4.350 3.265 + 13LYS N 183 4.293 4.149 3.212 + 13LYS H 184 4.299 4.077 3.143 + 13LYS CA 185 4.364 4.125 3.339 + 13LYS HA 186 4.299 4.132 3.416 + 13LYS CB 187 4.418 3.981 3.338 + 13LYS HB1 188 4.477 3.971 3.258 + 13LYS HB2 189 4.340 3.918 3.331 + 13LYS CG 190 4.498 3.941 3.461 + 13LYS HG1 191 4.534 4.025 3.504 + 13LYS HG2 192 4.576 3.885 3.431 + 13LYS CD 193 4.422 3.864 3.564 + 13LYS HD1 194 4.324 3.877 3.549 + 13LYS HD2 195 4.446 3.897 3.655 + 13LYS CE 196 4.453 3.717 3.556 + 13LYS HE1 197 4.521 3.693 3.627 + 13LYS HE2 198 4.492 3.696 3.466 + 13LYS NZ 199 4.332 3.632 3.576 + 13LYS HZ1 200 4.358 3.536 3.569 + 13LYS HZ2 201 4.293 3.651 3.666 + 13LYS HZ3 202 4.265 3.654 3.505 + 13LYS C 203 4.470 4.233 3.354 + 13LYS O 204 4.476 4.300 3.459 + 14ARG N 205 4.551 4.249 3.250 + 14ARG H 206 4.536 4.195 3.167 + 14ARG CA 207 4.663 4.344 3.252 + 14ARG HA 208 4.714 4.321 3.336 + 14ARG CB 209 4.764 4.321 3.141 + 14ARG HB1 210 4.764 4.223 3.121 + 14ARG HB2 211 4.852 4.348 3.176 + 14ARG CG 212 4.741 4.394 3.010 + 14ARG HG1 213 4.714 4.488 3.028 + 14ARG HG2 214 4.669 4.348 2.958 + 14ARG CD 215 4.869 4.393 2.930 + 14ARG HD1 216 4.945 4.423 2.987 + 14ARG HD2 217 4.860 4.455 2.852 + 14ARG NE 218 4.893 4.257 2.882 + 14ARG HE 219 4.955 4.197 2.934 + 14ARG CZ 220 4.834 4.212 2.770 + 14ARG NH1 221 4.793 4.305 2.683 + 14ARG HH11 222 4.808 4.402 2.703 + 14ARG HH12 223 4.749 4.277 2.598 + 14ARG NH2 224 4.819 4.082 2.750 + 14ARG HH21 225 4.852 4.016 2.818 + 14ARG HH22 226 4.775 4.049 2.666 + 14ARG C 227 4.617 4.488 3.269 + 14ARG O 228 4.681 4.569 3.339 + 15HIS N 229 4.492 4.511 3.227 + 15HIS H 230 4.438 4.435 3.191 + 15HIS CA 231 4.432 4.645 3.234 + 15HIS HA 232 4.512 4.705 3.235 + 15HIS CB 233 4.346 4.678 3.109 + 15HIS HB1 234 4.281 4.750 3.131 + 15HIS HB2 235 4.298 4.596 3.079 + 15HIS CG 236 4.432 4.725 2.998 + 15HIS ND1 237 4.470 4.650 2.890 + 15HIS CE1 238 4.545 4.717 2.807 + 15HIS HE1 239 4.574 4.690 2.715 + 15HIS NE2 240 4.576 4.828 2.870 + 15HIS HE2 241 4.648 4.892 2.841 + 15HIS CD2 242 4.498 4.843 2.980 + 15HIS HD2 243 4.490 4.925 3.037 + 15HIS C 244 4.356 4.672 3.362 + 15HIS O 245 4.286 4.774 3.376 + 16GLY N 246 4.354 4.579 3.453 + 16GLY H 247 4.393 4.491 3.427 + 16GLY CA 248 4.300 4.588 3.588 + 16GLY HA1 249 4.324 4.680 3.621 + 16GLY HA2 250 4.350 4.520 3.643 + 16GLY C 251 4.150 4.566 3.602 + 16GLY O 252 4.089 4.626 3.694 + 17LEU N 253 4.090 4.493 3.508 + 17LEU H 254 4.147 4.456 3.434 + 17LEU CA 255 3.948 4.466 3.511 + 17LEU HA 256 3.911 4.550 3.550 + 17LEU CB 257 3.889 4.451 3.371 + 17LEU HB1 258 3.799 4.408 3.381 + 17LEU HB2 259 3.950 4.390 3.320 + 17LEU CG 260 3.869 4.575 3.287 + 17LEU HG 261 3.957 4.622 3.279 + 17LEU CD1 262 3.818 4.528 3.151 + 17LEU HD11 263 3.803 4.607 3.092 + 17LEU HD12 264 3.885 4.467 3.110 + 17LEU HD13 265 3.731 4.479 3.164 + 17LEU CD2 266 3.780 4.681 3.349 + 17LEU HD21 267 3.773 4.759 3.287 + 17LEU HD22 268 3.690 4.642 3.365 + 17LEU HD23 269 3.819 4.711 3.436 + 17LEU C 270 3.909 4.354 3.608 + 17LEU O 271 3.789 4.345 3.636 + 18ASP N 272 4.003 4.267 3.642 + 18ASP H 273 4.095 4.277 3.604 + 18ASP CA 274 3.974 4.158 3.734 + 18ASP HA 275 3.897 4.114 3.688 + 18ASP CB 276 4.081 4.049 3.741 + 18ASP HB1 277 4.160 4.084 3.791 + 18ASP HB2 278 4.108 4.024 3.648 + 18ASP CG 279 4.027 3.927 3.812 + 18ASP OD1 280 3.905 3.901 3.826 + 18ASP OD2 281 4.116 3.846 3.847 + 18ASP C 282 3.925 4.208 3.871 + 18ASP O 283 4.008 4.264 3.947 + 19ASN N 284 3.799 4.185 3.901 + 19ASN H 285 3.743 4.135 3.836 + 19ASN CA 286 3.737 4.229 4.026 + 19ASN HA 287 3.654 4.175 4.015 + 19ASN CB 288 3.802 4.186 4.158 + 19ASN HB1 289 3.897 4.217 4.156 + 19ASN HB2 290 3.799 4.087 4.162 + 19ASN CG 291 3.740 4.237 4.287 + 19ASN OD1 292 3.622 4.213 4.316 + 19ASN ND2 293 3.809 4.322 4.366 + 19ASN HD21 294 3.901 4.352 4.340 + 19ASN HD22 295 3.769 4.355 4.451 + 19ASN C 296 3.710 4.380 4.031 + 19ASN O 297 3.668 4.426 4.138 + 20TYR N 298 3.721 4.451 3.922 + 20TYR H 299 3.749 4.406 3.836 + 20TYR CA 300 3.695 4.596 3.922 + 20TYR HA 301 3.754 4.636 3.992 + 20TYR CB 302 3.731 4.660 3.788 + 20TYR HB1 303 3.665 4.631 3.719 + 20TYR HB2 304 3.822 4.629 3.761 + 20TYR CG 305 3.730 4.811 3.795 + 20TYR CD1 306 3.839 4.875 3.857 + 20TYR HD1 307 3.911 4.820 3.899 + 20TYR CE1 308 3.845 5.014 3.860 + 20TYR HE1 309 3.928 5.060 3.892 + 20TYR CZ 310 3.734 5.088 3.819 + 20TYR OH 311 3.739 5.223 3.834 + 20TYR HH 312 3.652 5.262 3.800 + 20TYR CE2 313 3.626 5.026 3.759 + 20TYR HE2 314 3.552 5.081 3.722 + 20TYR CD2 315 3.622 4.886 3.750 + 20TYR HD2 316 3.543 4.841 3.711 + 20TYR C 317 3.547 4.620 3.957 + 20TYR O 318 3.454 4.573 3.893 + 21ARG N 319 3.533 4.700 4.061 + 21ARG H 320 3.615 4.734 4.107 + 21ARG CA 321 3.401 4.741 4.113 + 21ARG HA 322 3.421 4.791 4.197 + 21ARG CB 323 3.326 4.843 4.026 + 21ARG HB1 324 3.230 4.842 4.054 + 21ARG HB2 325 3.332 4.813 3.931 + 21ARG CG 326 3.375 4.985 4.035 + 21ARG HG1 327 3.339 5.035 3.955 + 21ARG HG2 328 3.476 4.984 4.031 + 21ARG CD 329 3.336 5.061 4.158 + 21ARG HD1 330 3.293 5.001 4.225 + 21ARG HD2 331 3.272 5.135 4.135 + 21ARG NE 332 3.457 5.118 4.213 + 21ARG HE 333 3.478 5.077 4.302 + 21ARG CZ 334 3.546 5.209 4.179 + 21ARG NH1 335 3.674 5.172 4.166 + 21ARG HH11 336 3.701 5.076 4.182 + 21ARG HH12 337 3.744 5.239 4.140 + 21ARG NH2 338 3.519 5.330 4.130 + 21ARG HH21 339 3.424 5.358 4.118 + 21ARG HH22 340 3.592 5.392 4.107 + 21ARG C 341 3.320 4.617 4.143 + 21ARG O 342 3.197 4.619 4.142 + 22GLY N 343 3.394 4.511 4.181 + 22GLY H 344 3.493 4.516 4.173 + 22GLY CA 345 3.335 4.388 4.233 + 22GLY HA1 346 3.253 4.413 4.283 + 22GLY HA2 347 3.401 4.347 4.296 + 22GLY C 348 3.299 4.288 4.125 + 22GLY O 349 3.233 4.188 4.159 + 23TYR N 350 3.345 4.309 4.003 + 23TYR H 351 3.404 4.389 3.985 + 23TYR CA 352 3.313 4.218 3.892 + 23TYR HA 353 3.244 4.156 3.931 + 23TYR CB 354 3.260 4.297 3.772 + 23TYR HB1 355 3.251 4.235 3.694 + 23TYR HB2 356 3.325 4.369 3.751 + 23TYR CG 357 3.125 4.360 3.794 + 23TYR CD1 358 3.010 4.282 3.795 + 23TYR HD1 359 3.016 4.184 3.775 + 23TYR CE1 360 2.885 4.338 3.823 + 23TYR HE1 361 2.803 4.281 3.823 + 23TYR CZ 362 2.876 4.474 3.851 + 23TYR OH 363 2.753 4.530 3.872 + 23TYR HH 364 2.763 4.627 3.891 + 23TYR CE2 365 2.990 4.553 3.854 + 23TYR HE2 366 2.983 4.651 3.874 + 23TYR CD2 367 3.115 4.496 3.827 + 23TYR HD2 368 3.197 4.552 3.831 + 23TYR C 369 3.437 4.139 3.844 + 23TYR O 370 3.529 4.205 3.795 + 24SER N 371 3.428 4.008 3.862 + 24SER H 372 3.345 3.969 3.903 + 24SER CA 373 3.539 3.921 3.822 + 24SER HA 374 3.619 3.957 3.868 + 24SER CB 375 3.516 3.779 3.872 + 24SER HB1 376 3.501 3.779 3.971 + 24SER HB2 377 3.595 3.722 3.850 + 24SER OG 378 3.405 3.720 3.812 + 24SER HG 379 3.394 3.627 3.847 + 24SER C 380 3.560 3.924 3.670 + 24SER O 381 3.468 3.955 3.595 + 25LEU N 382 3.684 3.889 3.635 + 25LEU H 383 3.747 3.857 3.705 + 25LEU CA 384 3.728 3.895 3.495 + 25LEU HA 385 3.733 3.991 3.468 + 25LEU CB 386 3.865 3.827 3.489 + 25LEU HB1 387 3.855 3.731 3.515 + 25LEU HB2 388 3.928 3.872 3.553 + 25LEU CG 389 3.925 3.834 3.350 + 25LEU HG 390 3.866 3.788 3.283 + 25LEU CD1 391 3.941 3.979 3.310 + 25LEU HD11 392 3.981 3.984 3.218 + 25LEU HD12 393 3.852 4.023 3.310 + 25LEU HD13 394 4.003 4.025 3.375 + 25LEU CD2 395 4.064 3.767 3.356 + 25LEU HD21 396 4.107 3.770 3.266 + 25LEU HD22 397 4.122 3.816 3.422 + 25LEU HD23 398 4.055 3.672 3.385 + 25LEU C 399 3.628 3.830 3.399 + 25LEU O 400 3.612 3.878 3.287 + 26GLY N 401 3.575 3.714 3.439 + 26GLY H 402 3.602 3.676 3.527 + 26GLY CA 403 3.478 3.642 3.357 + 26GLY HA1 404 3.445 3.565 3.411 + 26GLY HA2 405 3.529 3.608 3.277 + 26GLY C 406 3.359 3.724 3.309 + 26GLY O 407 3.313 3.711 3.193 + 27ASN N 408 3.315 3.814 3.397 + 27ASN H 409 3.358 3.817 3.487 + 27ASN CA 410 3.207 3.909 3.367 + 27ASN HA 411 3.126 3.853 3.349 + 27ASN CB 412 3.172 3.999 3.486 + 27ASN HB1 413 3.118 4.077 3.456 + 27ASN HB2 414 3.257 4.032 3.530 + 27ASN CG 415 3.092 3.913 3.586 + 27ASN OD1 416 2.976 3.879 3.563 + 27ASN ND2 417 3.159 3.891 3.698 + 27ASN HD21 418 3.250 3.929 3.710 + 27ASN HD22 419 3.118 3.837 3.771 + 27ASN C 420 3.240 3.987 3.241 + 27ASN O 421 3.157 4.007 3.153 + 28TRP N 422 3.359 4.045 3.239 + 28TRP H 423 3.421 4.028 3.316 + 28TRP CA 424 3.408 4.133 3.132 + 28TRP HA 425 3.341 4.205 3.113 + 28TRP CB 426 3.534 4.200 3.183 + 28TRP HB1 427 3.570 4.260 3.111 + 28TRP HB2 428 3.602 4.129 3.204 + 28TRP CG 429 3.519 4.284 3.306 + 28TRP CD1 430 3.543 4.248 3.436 + 28TRP HD1 431 3.573 4.158 3.466 + 28TRP NE1 432 3.516 4.355 3.517 + 28TRP HE1 433 3.539 4.359 3.615 + 28TRP CE2 434 3.458 4.454 3.445 + 28TRP CZ2 435 3.415 4.580 3.485 + 28TRP HZ2 436 3.420 4.610 3.580 + 28TRP CH2 437 3.368 4.663 3.383 + 28TRP HH2 438 3.333 4.753 3.409 + 28TRP CZ3 439 3.365 4.626 3.249 + 28TRP HZ3 440 3.326 4.689 3.181 + 28TRP CE3 441 3.414 4.503 3.211 + 28TRP HE3 442 3.420 4.478 3.114 + 28TRP CD2 443 3.457 4.414 3.310 + 28TRP C 444 3.418 4.060 2.999 + 28TRP O 445 3.398 4.118 2.890 + 29VAL N 446 3.481 3.940 3.007 + 29VAL H 447 3.517 3.908 3.095 + 29VAL CA 448 3.497 3.857 2.886 + 29VAL HA 449 3.542 3.915 2.817 + 29VAL CB 450 3.589 3.735 2.917 + 29VAL HB 451 3.553 3.678 2.990 + 29VAL CG1 452 3.602 3.646 2.795 + 29VAL HG11 453 3.661 3.568 2.816 + 29VAL HG12 454 3.513 3.612 2.768 + 29VAL HG13 455 3.642 3.698 2.719 + 29VAL CG2 456 3.726 3.791 2.958 + 29VAL HG21 457 3.787 3.715 2.979 + 29VAL HG22 458 3.763 3.845 2.883 + 29VAL HG23 459 3.714 3.849 3.039 + 29VAL C 460 3.362 3.820 2.824 + 29VAL O 461 3.342 3.836 2.704 + 30CYS N 462 3.274 3.777 2.911 + 30CYS H 463 3.305 3.766 3.006 + 30CYS CA 464 3.136 3.743 2.880 + 30CYS HA 465 3.145 3.666 2.817 + 30CYS CB 466 3.059 3.691 2.998 + 30CYS HB1 467 3.052 3.769 3.060 + 30CYS HB2 468 3.118 3.622 3.039 + 30CYS SG 469 2.897 3.624 2.950 + 30CYS C 470 3.063 3.858 2.811 + 30CYS O 471 3.013 3.838 2.698 + 31ALA N 472 3.078 3.977 2.868 + 31ALA H 473 3.131 3.984 2.953 + 31ALA CA 474 3.020 4.099 2.812 + 31ALA HA 475 2.921 4.083 2.809 + 31ALA CB 476 3.042 4.219 2.901 + 31ALA HB1 477 3.000 4.300 2.859 + 31ALA HB2 478 2.999 4.203 2.990 + 31ALA HB3 479 3.139 4.235 2.913 + 31ALA C 480 3.073 4.121 2.669 + 31ALA O 481 2.991 4.155 2.581 + 32ALA N 482 3.205 4.121 2.652 + 32ALA H 483 3.263 4.108 2.733 + 32ALA CA 484 3.270 4.140 2.523 + 32ALA HA 485 3.244 4.231 2.491 + 32ALA CB 486 3.422 4.134 2.541 + 32ALA HB1 487 3.467 4.146 2.453 + 32ALA HB2 488 3.451 4.206 2.604 + 32ALA HB3 489 3.448 4.045 2.579 + 32ALA C 490 3.218 4.040 2.419 + 32ALA O 491 3.201 4.072 2.302 + 33LYS N 492 3.197 3.916 2.462 + 33LYS H 493 3.216 3.896 2.558 + 33LYS CA 494 3.151 3.808 2.377 + 33LYS HA 495 3.221 3.802 2.307 + 33LYS CB 496 3.147 3.672 2.446 + 33LYS HB1 497 3.089 3.681 2.527 + 33LYS HB2 498 3.240 3.650 2.474 + 33LYS CG 499 3.095 3.556 2.362 + 33LYS HG1 500 3.000 3.577 2.335 + 33LYS HG2 501 3.095 3.474 2.420 + 33LYS CD 502 3.174 3.526 2.236 + 33LYS HD1 503 3.260 3.482 2.261 + 33LYS HD2 504 3.193 3.611 2.187 + 33LYS CE 505 3.093 3.432 2.148 + 33LYS HE1 506 3.011 3.481 2.116 + 33LYS HE2 507 3.066 3.353 2.202 + 33LYS NZ 508 3.167 3.384 2.029 + 33LYS HZ1 509 3.108 3.323 1.975 + 33LYS HZ2 510 3.194 3.462 1.972 + 33LYS HZ3 511 3.249 3.334 2.058 + 33LYS C 512 3.014 3.842 2.315 + 33LYS O 513 3.006 3.837 2.192 + 34PHE N 514 2.921 3.881 2.399 + 34PHE H 515 2.947 3.899 2.495 + 34PHE CA 516 2.782 3.898 2.356 + 34PHE HA 517 2.763 3.838 2.279 + 34PHE CB 518 2.688 3.853 2.468 + 34PHE HB1 519 2.593 3.882 2.446 + 34PHE HB2 520 2.716 3.895 2.554 + 34PHE CG 521 2.688 3.703 2.484 + 34PHE CD1 522 2.645 3.621 2.380 + 34PHE HD1 523 2.602 3.661 2.299 + 34PHE CE1 524 2.661 3.482 2.390 + 34PHE HE1 525 2.635 3.423 2.314 + 34PHE CZ 526 2.717 3.427 2.507 + 34PHE HZ 527 2.718 3.327 2.520 + 34PHE CE2 528 2.769 3.510 2.607 + 34PHE HE2 529 2.818 3.472 2.685 + 34PHE CD2 530 2.751 3.649 2.596 + 34PHE HD2 531 2.784 3.709 2.669 + 34PHE C 532 2.760 4.037 2.297 + 34PHE O 533 2.674 4.055 2.205 + 35GLU N 534 2.849 4.127 2.336 + 35GLU H 535 2.921 4.103 2.401 + 35GLU CA 536 2.842 4.265 2.281 + 35GLU HA 537 2.743 4.276 2.281 + 35GLU CB 538 2.895 4.375 2.370 + 35GLU HB1 539 2.894 4.459 2.316 + 35GLU HB2 540 2.989 4.351 2.394 + 35GLU CG 541 2.823 4.407 2.500 + 35GLU HG1 542 2.884 4.469 2.551 + 35GLU HG2 543 2.815 4.321 2.550 + 35GLU CD 544 2.688 4.471 2.495 + 35GLU OE1 545 2.665 4.522 2.383 + 35GLU OE2 546 2.619 4.489 2.594 + 35GLU C 547 2.891 4.280 2.139 + 35GLU O 548 2.826 4.337 2.050 + 36SER N 549 3.011 4.234 2.114 + 36SER H 550 3.056 4.184 2.188 + 36SER CA 551 3.088 4.248 1.991 + 36SER HA 552 3.016 4.284 1.931 + 36SER CB 553 3.207 4.339 2.016 + 36SER HB1 554 3.178 4.426 2.055 + 36SER HB2 555 3.257 4.356 1.930 + 36SER OG 556 3.299 4.281 2.106 + 36SER HG 557 3.376 4.343 2.120 + 36SER C 558 3.138 4.120 1.924 + 36SER O 559 3.200 4.132 1.817 + 37ASN N 560 3.121 4.008 1.988 + 37ASN H 561 3.057 4.008 2.066 + 37ASN CA 562 3.188 3.883 1.951 + 37ASN HA 563 3.168 3.815 2.023 + 37ASN CB 564 3.128 3.835 1.819 + 37ASN HB1 565 3.175 3.880 1.744 + 37ASN HB2 566 3.030 3.860 1.817 + 37ASN CG 567 3.141 3.684 1.803 + 37ASN OD1 568 3.188 3.613 1.892 + 37ASN ND2 569 3.112 3.637 1.682 + 37ASN HD21 570 3.083 3.699 1.609 + 37ASN HD22 571 3.118 3.538 1.664 + 37ASN C 572 3.339 3.895 1.951 + 37ASN O 573 3.405 3.849 1.856 + 38PHE N 574 3.394 3.974 2.043 + 38PHE H 575 3.333 4.020 2.108 + 38PHE CA 576 3.537 3.997 2.053 + 38PHE HA 577 3.543 4.055 2.135 + 38PHE CB 578 3.615 3.868 2.076 + 38PHE HB1 579 3.713 3.892 2.089 + 38PHE HB2 580 3.606 3.811 1.995 + 38PHE CG 581 3.573 3.787 2.195 + 38PHE CD1 582 3.534 3.843 2.315 + 38PHE HD1 583 3.530 3.943 2.323 + 38PHE CE1 584 3.501 3.767 2.425 + 38PHE HE1 585 3.473 3.811 2.510 + 38PHE CZ 586 3.509 3.627 2.416 + 38PHE HZ 587 3.491 3.570 2.497 + 38PHE CE2 588 3.539 3.567 2.292 + 38PHE HE2 589 3.533 3.468 2.282 + 38PHE CD2 590 3.576 3.646 2.182 + 38PHE HD2 591 3.602 3.604 2.096 + 38PHE C 592 3.596 4.076 1.936 + 38PHE O 593 3.717 4.065 1.911 + 39ASN N 594 3.519 4.165 1.878 + 39ASN H 595 3.427 4.180 1.915 + 39ASN CA 596 3.559 4.243 1.761 + 39ASN HA 597 3.648 4.211 1.731 + 39ASN CB 598 3.466 4.216 1.644 + 39ASN HB1 599 3.378 4.261 1.663 + 39ASN HB2 600 3.451 4.117 1.639 + 39ASN CG 601 3.513 4.263 1.509 + 39ASN OD1 602 3.582 4.361 1.485 + 39ASN ND2 603 3.483 4.172 1.416 + 39ASN HD21 604 3.435 4.088 1.441 + 39ASN HD22 605 3.507 4.189 1.320 + 39ASN C 606 3.579 4.389 1.799 + 39ASN O 607 3.478 4.451 1.839 + 40THR N 608 3.701 4.435 1.788 + 40THR H 609 3.773 4.372 1.760 + 40THR CA 610 3.739 4.573 1.815 + 40THR HA 611 3.691 4.584 1.902 + 40THR CB 612 3.892 4.596 1.839 + 40THR HB 613 3.909 4.682 1.887 + 40THR CG2 614 3.966 4.498 1.932 + 40THR HG21 615 4.062 4.523 1.938 + 40THR HG22 616 3.924 4.501 2.023 + 40THR HG23 617 3.958 4.405 1.895 + 40THR OG1 618 3.951 4.602 1.703 + 40THR HG1 619 4.050 4.616 1.710 + 40THR C 620 3.674 4.675 1.722 + 40THR O 621 3.657 4.791 1.760 + 41GLN N 622 3.625 4.629 1.610 + 41GLN H 623 3.618 4.530 1.599 + 41GLN CA 624 3.576 4.715 1.500 + 41GLN HA 625 3.615 4.805 1.522 + 41GLN CB 626 3.629 4.668 1.364 + 41GLN HB1 627 3.585 4.720 1.292 + 41GLN HB2 628 3.608 4.571 1.353 + 41GLN CG 629 3.780 4.686 1.353 + 41GLN HG1 630 3.822 4.607 1.309 + 41GLN HG2 631 3.819 4.700 1.444 + 41GLN CD 632 3.800 4.810 1.268 + 41GLN OE1 633 3.760 4.817 1.152 + 41GLN NE2 634 3.852 4.909 1.339 + 41GLN HE21 635 3.872 4.896 1.436 + 41GLN HE22 636 3.872 4.997 1.295 + 41GLN C 637 3.424 4.724 1.494 + 41GLN O 638 3.375 4.788 1.397 + 42ALA N 639 3.358 4.650 1.580 + 42ALA H 640 3.408 4.598 1.649 + 42ALA CA 641 3.211 4.644 1.575 + 42ALA HA 642 3.185 4.612 1.483 + 42ALA CB 643 3.159 4.546 1.681 + 42ALA HB1 644 3.060 4.542 1.678 + 42ALA HB2 645 3.197 4.455 1.664 + 42ALA HB3 646 3.190 4.578 1.772 + 42ALA C 647 3.151 4.783 1.600 + 42ALA O 648 3.188 4.855 1.693 + 43THR N 649 3.053 4.815 1.517 + 43THR H 650 3.034 4.755 1.439 + 43THR CA 651 2.968 4.935 1.533 + 43THR HA 652 2.987 4.960 1.629 + 43THR CB 653 3.006 5.059 1.444 + 43THR HB 654 2.951 5.139 1.464 + 43THR CG2 655 3.149 5.107 1.463 + 43THR HG21 656 3.167 5.186 1.403 + 43THR HG22 657 3.162 5.134 1.558 + 43THR HG23 658 3.213 5.034 1.440 + 43THR OG1 659 2.980 5.018 1.305 + 43THR HG1 660 3.003 5.094 1.244 + 43THR C 661 2.822 4.897 1.510 + 43THR O 662 2.796 4.813 1.422 + 44ASN N 663 2.734 4.960 1.584 + 44ASN H 664 2.766 5.027 1.652 + 44ASN CA 665 2.589 4.936 1.570 + 44ASN HA 666 2.572 4.896 1.480 + 44ASN CB 667 2.540 4.834 1.673 + 44ASN HB1 668 2.566 4.865 1.764 + 44ASN HB2 669 2.582 4.746 1.654 + 44ASN CG 670 2.389 4.818 1.669 + 44ASN OD1 671 2.338 4.758 1.573 + 44ASN ND2 672 2.316 4.879 1.762 + 44ASN HD21 673 2.359 4.934 1.833 + 44ASN HD22 674 2.216 4.869 1.761 + 44ASN C 675 2.514 5.070 1.585 + 44ASN O 676 2.542 5.146 1.678 + 45ARG N 677 2.431 5.098 1.489 + 45ARG H 678 2.417 5.029 1.417 + 45ARG CA 679 2.355 5.222 1.479 + 45ARG HA 680 2.408 5.292 1.527 + 45ARG CB 681 2.339 5.270 1.335 + 45ARG HB1 682 2.318 5.191 1.276 + 45ARG HB2 683 2.424 5.312 1.304 + 45ARG CG 684 2.226 5.372 1.325 + 45ARG HG1 685 2.145 5.339 1.374 + 45ARG HG2 686 2.201 5.388 1.230 + 45ARG CD 687 2.274 5.499 1.388 + 45ARG HD1 688 2.330 5.481 1.469 + 45ARG HD2 689 2.198 5.559 1.413 + 45ARG NE 690 2.355 5.562 1.283 + 45ARG HE 691 2.455 5.566 1.288 + 45ARG CZ 692 2.286 5.613 1.179 + 45ARG NH1 693 2.154 5.619 1.171 + 45ARG HH11 694 2.098 5.584 1.246 + 45ARG HH12 695 2.109 5.659 1.090 + 45ARG NH2 696 2.362 5.656 1.078 + 45ARG HH21 697 2.461 5.648 1.083 + 45ARG HH22 698 2.319 5.695 0.997 + 45ARG C 699 2.220 5.202 1.548 + 45ARG O 700 2.164 5.092 1.538 + 46ASN N 701 2.180 5.303 1.626 + 46ASN H 702 2.234 5.386 1.631 + 46ASN CA 703 2.055 5.293 1.703 + 46ASN HA 704 2.020 5.201 1.689 + 46ASN CB 705 2.082 5.309 1.851 + 46ASN HB1 706 1.995 5.300 1.900 + 46ASN HB2 707 2.119 5.401 1.866 + 46ASN CG 708 2.178 5.210 1.913 + 46ASN OD1 709 2.290 5.252 1.946 + 46ASN ND2 710 2.136 5.084 1.921 + 46ASN HD21 711 2.046 5.059 1.887 + 46ASN HD22 712 2.197 5.014 1.961 + 46ASN C 713 1.951 5.392 1.650 + 46ASN O 714 1.987 5.496 1.593 + 47THR N 715 1.827 5.369 1.692 + 47THR H 716 1.812 5.291 1.753 + 47THR CA 717 1.712 5.451 1.656 + 47THR HA 718 1.719 5.452 1.557 + 47THR CB 719 1.574 5.388 1.702 + 47THR HB 720 1.493 5.431 1.663 + 47THR CG2 721 1.558 5.241 1.662 + 47THR HG21 722 1.469 5.208 1.694 + 47THR HG22 723 1.562 5.233 1.563 + 47THR HG23 724 1.630 5.187 1.704 + 47THR OG1 725 1.576 5.406 1.847 + 47THR HG1 726 1.492 5.368 1.885 + 47THR C 727 1.724 5.597 1.700 + 47THR O 728 1.684 5.683 1.620 + 48ASP N 729 1.788 5.624 1.813 + 48ASP H 730 1.819 5.546 1.867 + 48ASP CA 731 1.812 5.758 1.864 + 48ASP HA 732 1.729 5.802 1.834 + 48ASP CB 733 1.827 5.759 2.017 + 48ASP HB1 734 1.753 5.704 2.057 + 48ASP HB2 735 1.819 5.854 2.049 + 48ASP CG 736 1.962 5.703 2.064 + 48ASP OD1 737 2.034 5.646 1.982 + 48ASP OD2 738 2.000 5.730 2.180 + 48ASP C 739 1.926 5.837 1.799 + 48ASP O 740 1.949 5.948 1.850 + 49GLY N 741 1.990 5.788 1.695 + 49GLY H 742 1.962 5.698 1.660 + 49GLY CA 743 2.099 5.856 1.626 + 49GLY HA1 744 2.086 5.954 1.642 + 49GLY HA2 745 2.089 5.836 1.529 + 49GLY C 746 2.240 5.818 1.671 + 49GLY O 747 2.342 5.855 1.612 + 50SER N 748 2.241 5.752 1.788 + 50SER H 749 2.155 5.732 1.833 + 50SER CA 750 2.368 5.709 1.853 + 50SER HA 751 2.434 5.781 1.839 + 50SER CB 752 2.352 5.695 2.003 + 50SER HB1 753 2.303 5.774 2.040 + 50SER HB2 754 2.441 5.687 2.047 + 50SER OG 755 2.277 5.579 2.035 + 50SER HG 756 2.267 5.572 2.134 + 50SER C 757 2.422 5.582 1.787 + 50SER O 758 2.352 5.512 1.711 + 51THR N 759 2.552 5.563 1.808 + 51THR H 760 2.603 5.632 1.857 + 51THR CA 761 2.622 5.442 1.761 + 51THR HA 762 2.553 5.375 1.730 + 51THR CB 763 2.714 5.477 1.639 + 51THR HB 764 2.786 5.543 1.662 + 51THR CG2 765 2.793 5.356 1.586 + 51THR HG21 766 2.851 5.384 1.509 + 51THR HG22 767 2.851 5.319 1.659 + 51THR HG23 768 2.728 5.286 1.555 + 51THR OG1 769 2.635 5.544 1.540 + 51THR HG1 770 2.691 5.567 1.461 + 51THR C 771 2.697 5.383 1.881 + 51THR O 772 2.740 5.457 1.969 + 52ASP N 773 2.695 5.251 1.888 + 52ASP H 774 2.636 5.200 1.826 + 52ASP CA 775 2.777 5.176 1.985 + 52ASP HA 776 2.795 5.234 2.064 + 52ASP CB 777 2.701 5.051 2.026 + 52ASP HB1 778 2.753 5.002 2.096 + 52ASP HB2 779 2.690 4.992 1.946 + 52ASP CG 780 2.565 5.085 2.081 + 52ASP OD1 781 2.546 5.179 2.157 + 52ASP OD2 782 2.477 5.000 2.059 + 52ASP C 783 2.908 5.135 1.918 + 52ASP O 784 2.909 5.093 1.800 + 53TYR N 785 3.016 5.159 1.990 + 53TYR H 786 3.006 5.188 2.086 + 53TYR CA 787 3.152 5.146 1.936 + 53TYR HA 788 3.135 5.111 1.844 + 53TYR CB 789 3.224 5.283 1.932 + 53TYR HB1 790 3.319 5.268 1.909 + 53TYR HB2 791 3.217 5.325 2.023 + 53TYR CG 792 3.168 5.382 1.832 + 53TYR CD1 793 3.208 5.386 1.699 + 53TYR HD1 794 3.279 5.322 1.667 + 53TYR CE1 795 3.154 5.478 1.609 + 53TYR HE1 796 3.181 5.478 1.513 + 53TYR CZ 797 3.060 5.571 1.656 + 53TYR OH 798 3.010 5.666 1.572 + 53TYR HH 799 2.945 5.724 1.621 + 53TYR CE2 800 3.016 5.566 1.788 + 53TYR HE2 801 2.941 5.626 1.819 + 53TYR CD2 802 3.076 5.477 1.876 + 53TYR HD2 803 3.052 5.480 1.973 + 53TYR C 804 3.240 5.045 2.010 + 53TYR O 805 3.253 5.047 2.132 + 54GLY N 806 3.299 4.958 1.932 + 54GLY H 807 3.266 4.952 1.838 + 54GLY CA 808 3.409 4.869 1.969 + 54GLY HA1 809 3.474 4.925 2.020 + 54GLY HA2 810 3.451 4.839 1.883 + 54GLY C 811 3.375 4.746 2.052 + 54GLY O 812 3.259 4.702 2.055 + 55ILE N 813 3.480 4.695 2.113 + 55ILE H 814 3.568 4.744 2.111 + 55ILE CA 815 3.470 4.565 2.182 + 55ILE HA 816 3.430 4.504 2.114 + 55ILE CB 817 3.614 4.520 2.225 + 55ILE HB 818 3.685 4.534 2.157 + 55ILE CG2 819 3.664 4.607 2.342 + 55ILE HG21 820 3.756 4.577 2.369 + 55ILE HG22 821 3.668 4.703 2.314 + 55ILE HG23 822 3.602 4.597 2.420 + 55ILE CG1 823 3.603 4.367 2.249 + 55ILE HG11 824 3.543 4.329 2.178 + 55ILE HG12 825 3.560 4.353 2.339 + 55ILE CD 826 3.734 4.288 2.247 + 55ILE HD1 827 3.716 4.191 2.264 + 55ILE HD2 828 3.779 4.298 2.158 + 55ILE HD3 829 3.796 4.323 2.318 + 55ILE C 830 3.366 4.561 2.294 + 55ILE O 831 3.302 4.456 2.312 + 56LEU N 832 3.346 4.674 2.357 + 56LEU H 833 3.402 4.754 2.335 + 56LEU CA 834 3.241 4.686 2.461 + 56LEU HA 835 3.203 4.595 2.474 + 56LEU CB 836 3.306 4.728 2.593 + 56LEU HB1 837 3.233 4.753 2.657 + 56LEU HB2 838 3.364 4.809 2.576 + 56LEU CG 839 3.394 4.621 2.661 + 56LEU HG 840 3.466 4.585 2.601 + 56LEU CD1 841 3.457 4.686 2.782 + 56LEU HD11 842 3.516 4.619 2.829 + 56LEU HD12 843 3.513 4.763 2.753 + 56LEU HD13 844 3.386 4.717 2.844 + 56LEU CD2 845 3.306 4.504 2.700 + 56LEU HD21 846 3.362 4.433 2.744 + 56LEU HD22 847 3.236 4.535 2.764 + 56LEU HD23 848 3.261 4.466 2.619 + 56LEU C 849 3.122 4.770 2.415 + 56LEU O 850 3.040 4.797 2.504 + 57GLN N 851 3.111 4.796 2.286 + 57GLN H 852 3.184 4.770 2.224 + 57GLN CA 853 2.991 4.864 2.234 + 57GLN HA 854 3.014 4.901 2.144 + 57GLN CB 855 2.876 4.762 2.226 + 57GLN HB1 856 2.790 4.811 2.212 + 57GLN HB2 857 2.872 4.711 2.312 + 57GLN CG 858 2.898 4.665 2.111 + 57GLN HG1 859 2.826 4.595 2.115 + 57GLN HG2 860 2.987 4.622 2.122 + 57GLN CD 861 2.892 4.730 1.974 + 57GLN OE1 862 2.782 4.746 1.922 + 57GLN NE2 863 3.006 4.766 1.916 + 57GLN HE21 864 3.093 4.751 1.962 + 57GLN HE22 865 3.003 4.809 1.826 + 57GLN C 866 2.953 4.980 2.325 + 57GLN O 867 2.836 4.989 2.372 + 58ILE N 868 3.040 5.077 2.338 + 58ILE H 869 3.129 5.067 2.292 + 58ILE CA 870 3.017 5.198 2.416 + 58ILE HA 871 2.957 5.172 2.492 + 58ILE CB 872 3.155 5.252 2.468 + 58ILE HB 873 3.224 5.254 2.396 + 58ILE CG2 874 3.142 5.400 2.512 + 58ILE HG21 875 3.231 5.432 2.544 + 58ILE HG22 876 3.112 5.455 2.434 + 58ILE HG23 877 3.076 5.407 2.585 + 58ILE CG1 878 3.200 5.158 2.583 + 58ILE HG11 879 3.187 5.063 2.554 + 58ILE HG12 880 3.145 5.177 2.664 + 58ILE CD 881 3.349 5.181 2.617 + 58ILE HD1 882 3.376 5.120 2.691 + 58ILE HD2 883 3.405 5.163 2.536 + 58ILE HD3 884 3.362 5.276 2.646 + 58ILE C 885 2.944 5.302 2.331 + 58ILE O 886 2.980 5.327 2.214 + 59ASN N 887 2.839 5.353 2.391 + 59ASN H 888 2.826 5.334 2.488 + 59ASN CA 889 2.740 5.437 2.322 + 59ASN HA 890 2.734 5.405 2.227 + 59ASN CB 891 2.605 5.417 2.393 + 59ASN HB1 892 2.612 5.454 2.485 + 59ASN HB2 893 2.586 5.319 2.397 + 59ASN CG 894 2.490 5.485 2.322 + 59ASN OD1 895 2.470 5.603 2.357 + 59ASN ND2 896 2.441 5.418 2.220 + 59ASN HD21 897 2.478 5.330 2.194 + 59ASN HD22 898 2.364 5.456 2.168 + 59ASN C 899 2.780 5.583 2.308 + 59ASN O 900 2.816 5.647 2.407 + 60SER N 901 2.751 5.634 2.187 + 60SER H 902 2.710 5.576 2.117 + 60SER CA 903 2.782 5.777 2.156 + 60SER HA 904 2.871 5.786 2.201 + 60SER CB 905 2.789 5.800 2.006 + 60SER HB1 906 2.852 5.734 1.965 + 60SER HB2 907 2.822 5.893 1.988 + 60SER OG 908 2.668 5.787 1.937 + 60SER HG 909 2.684 5.804 1.839 + 60SER C 910 2.694 5.885 2.217 + 60SER O 911 2.730 6.004 2.204 + 61ARG N 912 2.578 5.852 2.267 + 61ARG H 913 2.545 5.758 2.258 + 61ARG CA 914 2.493 5.951 2.338 + 61ARG HA 915 2.493 6.029 2.275 + 61ARG CB 916 2.352 5.906 2.356 + 61ARG HB1 917 2.349 5.841 2.432 + 61ARG HB2 918 2.322 5.859 2.272 + 61ARG CG 919 2.257 6.021 2.385 + 61ARG HG1 920 2.239 6.075 2.303 + 61ARG HG2 921 2.292 6.080 2.457 + 61ARG CD 922 2.131 5.952 2.431 + 61ARG HD1 923 2.151 5.890 2.507 + 61ARG HD2 924 2.091 5.899 2.355 + 61ARG NE 925 2.034 6.051 2.475 + 61ARG HE 926 2.066 6.141 2.508 + 61ARG CZ 927 1.903 6.021 2.470 + 61ARG NH1 928 1.868 5.912 2.403 + 61ARG HH11 929 1.939 5.856 2.358 + 61ARG HH12 930 1.773 5.886 2.397 + 61ARG NH2 931 1.817 6.111 2.516 + 61ARG HH21 932 1.849 6.198 2.553 + 61ARG HH22 933 1.719 6.091 2.514 + 61ARG C 934 2.553 5.997 2.470 + 61ARG O 935 2.553 6.119 2.493 + 62TRP N 936 2.602 5.906 2.554 + 62TRP H 937 2.602 5.810 2.526 + 62TRP CA 938 2.657 5.942 2.684 + 62TRP HA 939 2.619 6.035 2.694 + 62TRP CB 940 2.608 5.847 2.794 + 62TRP HB1 941 2.629 5.886 2.884 + 62TRP HB2 942 2.655 5.759 2.784 + 62TRP CG 943 2.461 5.822 2.791 + 62TRP CD1 944 2.397 5.711 2.745 + 62TRP HD1 945 2.441 5.626 2.718 + 62TRP NE1 946 2.260 5.732 2.742 + 62TRP HE1 947 2.193 5.666 2.709 + 62TRP CE2 948 2.234 5.856 2.791 + 62TRP CZ2 949 2.112 5.919 2.812 + 62TRP HZ2 950 2.026 5.873 2.791 + 62TRP CH2 951 2.115 6.047 2.862 + 62TRP HH2 952 2.030 6.098 2.873 + 62TRP CZ3 953 2.237 6.107 2.900 + 62TRP HZ3 954 2.234 6.197 2.943 + 62TRP CE3 955 2.358 6.044 2.878 + 62TRP HE3 956 2.444 6.090 2.900 + 62TRP CD2 957 2.358 5.916 2.824 + 62TRP C 958 2.809 5.950 2.691 + 62TRP O 959 2.856 6.026 2.778 + 63TRP N 960 2.878 5.859 2.623 + 63TRP H 961 2.833 5.812 2.547 + 63TRP CA 962 3.016 5.826 2.653 + 63TRP HA 963 3.017 5.892 2.728 + 63TRP CB 964 3.032 5.678 2.692 + 63TRP HB1 965 3.121 5.665 2.735 + 63TRP HB2 966 3.026 5.622 2.610 + 63TRP CG 967 2.928 5.629 2.788 + 63TRP CD1 968 2.820 5.548 2.759 + 63TRP HD1 969 2.797 5.514 2.667 + 63TRP NE1 970 2.749 5.520 2.871 + 63TRP HE1 971 2.671 5.458 2.877 + 63TRP CE2 972 2.800 5.593 2.974 + 63TRP CZ2 973 2.763 5.599 3.109 + 63TRP HZ2 974 2.684 5.550 3.143 + 63TRP CH2 975 2.842 5.677 3.193 + 63TRP HH2 976 2.818 5.685 3.289 + 63TRP CZ3 977 2.954 5.745 3.146 + 63TRP HZ3 978 3.007 5.802 3.209 + 63TRP CE3 979 2.993 5.734 3.013 + 63TRP HE3 980 3.076 5.780 2.981 + 63TRP CD2 981 2.917 5.659 2.926 + 63TRP C 982 3.134 5.878 2.576 + 63TRP O 983 3.239 5.904 2.638 + 64CYS N 984 3.121 5.877 2.446 + 64CYS H 985 3.036 5.839 2.407 + 64CYS CA 986 3.223 5.929 2.354 + 64CYS HA 987 3.290 5.980 2.407 + 64CYS CB 988 3.289 5.812 2.282 + 64CYS HB1 989 3.329 5.760 2.356 + 64CYS HB2 990 3.361 5.856 2.228 + 64CYS SG 991 3.181 5.709 2.180 + 64CYS C 992 3.157 6.022 2.252 + 64CYS O 993 3.034 6.017 2.234 + 65ASN N 994 3.240 6.103 2.190 + 65ASN H 995 3.338 6.098 2.212 + 65ASN CA 996 3.194 6.199 2.089 + 65ASN HA 997 3.095 6.206 2.103 + 65ASN CB 998 3.263 6.335 2.110 + 65ASN HB1 999 3.362 6.325 2.105 + 65ASN HB2 1000 3.237 6.373 2.199 + 65ASN CG 1001 3.216 6.428 1.999 + 65ASN OD1 1002 3.099 6.442 1.967 + 65ASN ND2 1003 3.316 6.480 1.928 + 65ASN HD21 1004 3.411 6.456 1.951 + 65ASN HD22 1005 3.297 6.542 1.853 + 65ASN C 1006 3.223 6.151 1.947 + 65ASN O 1007 3.338 6.118 1.916 + 66ASP N 1008 3.116 6.134 1.869 + 66ASP H 1009 3.024 6.143 1.908 + 66ASP CA 1010 3.135 6.104 1.726 + 66ASP HA 1011 3.234 6.095 1.714 + 66ASP CB 1012 3.070 5.972 1.692 + 66ASP HB1 1013 3.103 5.903 1.756 + 66ASP HB2 1014 3.099 5.947 1.599 + 66ASP CG 1015 2.920 5.976 1.698 + 66ASP OD1 1016 2.853 6.076 1.727 + 66ASP OD2 1017 2.869 5.863 1.676 + 66ASP C 1018 3.091 6.218 1.635 + 66ASP O 1019 3.096 6.200 1.514 + 67GLY N 1020 3.047 6.327 1.695 + 67GLY H 1021 3.043 6.327 1.795 + 67GLY CA 1022 3.007 6.447 1.623 + 67GLY HA1 1023 3.082 6.470 1.562 + 67GLY HA2 1024 2.996 6.518 1.692 + 67GLY C 1025 2.878 6.441 1.541 + 67GLY O 1026 2.843 6.540 1.475 + 68ARG N 1027 2.806 6.330 1.546 + 68ARG H 1028 2.839 6.254 1.602 + 68ARG CA 1029 2.681 6.317 1.472 + 68ARG HA 1030 2.658 6.411 1.446 + 68ARG CB 1031 2.700 6.231 1.347 + 68ARG HB1 1032 2.769 6.273 1.288 + 68ARG HB2 1033 2.612 6.226 1.298 + 68ARG CG 1034 2.744 6.091 1.386 + 68ARG HG1 1035 2.672 6.047 1.440 + 68ARG HG2 1036 2.828 6.097 1.441 + 68ARG CD 1037 2.773 6.005 1.269 + 68ARG HD1 1038 2.859 5.957 1.281 + 68ARG HD2 1039 2.776 6.061 1.186 + 68ARG NE 1040 2.668 5.906 1.253 + 68ARG HE 1041 2.691 5.817 1.292 + 68ARG CZ 1042 2.549 5.912 1.196 + 68ARG NH1 1043 2.474 6.017 1.166 + 68ARG HH11 1044 2.509 6.109 1.188 + 68ARG HH12 1045 2.385 6.005 1.123 + 68ARG NH2 1046 2.514 5.799 1.131 + 68ARG HH21 1047 2.576 5.721 1.130 + 68ARG HH22 1048 2.425 5.793 1.085 + 68ARG C 1049 2.566 6.262 1.557 + 68ARG O 1050 2.464 6.224 1.502 + 69THR N 1051 2.583 6.276 1.686 + 69THR H 1052 2.667 6.321 1.719 + 69THR CA 1053 2.486 6.227 1.784 + 69THR HA 1054 2.418 6.181 1.726 + 69THR CB 1055 2.546 6.124 1.890 + 69THR HB 1056 2.615 6.161 1.951 + 69THR CG2 1057 2.437 6.072 1.985 + 69THR HG21 1058 2.477 6.008 2.051 + 69THR HG22 1059 2.397 6.149 2.035 + 69THR HG23 1060 2.365 6.025 1.933 + 69THR OG1 1061 2.609 6.019 1.809 + 69THR HG1 1062 2.649 5.951 1.870 + 69THR C 1063 2.424 6.346 1.859 + 69THR O 1064 2.493 6.410 1.938 + 70PRO N 1065 2.293 6.360 1.839 + 70PRO CD 1066 2.214 6.295 1.735 + 70PRO HD1 1067 2.180 6.207 1.766 + 70PRO HD2 1068 2.267 6.283 1.652 + 70PRO CG 1069 2.101 6.395 1.714 + 70PRO HG1 1070 2.016 6.348 1.685 + 70PRO HG2 1071 2.125 6.463 1.645 + 70PRO CB 1072 2.080 6.461 1.848 + 70PRO HB1 1073 2.020 6.406 1.905 + 70PRO HB2 1074 2.042 6.552 1.836 + 70PRO CA 1075 2.220 6.468 1.908 + 70PRO HA 1076 2.260 6.559 1.895 + 70PRO C 1077 2.220 6.438 2.057 + 70PRO O 1078 2.198 6.322 2.092 + 71GLY N 1079 2.240 6.535 2.141 + 71GLY H 1080 2.260 6.625 2.102 + 71GLY CA 1081 2.239 6.524 2.286 + 71GLY HA1 1082 2.155 6.473 2.309 + 71GLY HA2 1083 2.230 6.617 2.322 + 71GLY C 1084 2.358 6.457 2.352 + 71GLY O 1085 2.351 6.412 2.468 + 72SER N 1086 2.467 6.449 2.279 + 72SER H 1087 2.464 6.490 2.188 + 72SER CA 1088 2.591 6.384 2.322 + 72SER HA 1089 2.575 6.287 2.342 + 72SER CB 1090 2.691 6.386 2.207 + 72SER HB1 1091 2.684 6.474 2.160 + 72SER HB2 1092 2.670 6.312 2.143 + 72SER OG 1093 2.826 6.369 2.247 + 72SER HG 1094 2.885 6.372 2.166 + 72SER C 1095 2.638 6.444 2.453 + 72SER O 1096 2.629 6.568 2.468 + 73ARG N 1097 2.690 6.363 2.544 + 73ARG H 1098 2.685 6.265 2.525 + 73ARG CA 1099 2.750 6.406 2.670 + 73ARG HA 1100 2.727 6.503 2.660 + 73ARG CB 1101 2.685 6.341 2.794 + 73ARG HB1 1102 2.743 6.364 2.873 + 73ARG HB2 1103 2.685 6.242 2.781 + 73ARG CG 1104 2.543 6.384 2.825 + 73ARG HG1 1105 2.500 6.317 2.885 + 73ARG HG2 1106 2.490 6.393 2.740 + 73ARG CD 1107 2.546 6.516 2.893 + 73ARG HD1 1108 2.579 6.584 2.829 + 73ARG HD2 1109 2.608 6.510 2.972 + 73ARG NE 1110 2.418 6.563 2.943 + 73ARG HE 1111 2.398 6.556 3.041 + 73ARG CZ 1112 2.322 6.616 2.863 + 73ARG NH1 1113 2.309 6.579 2.735 + 73ARG HH11 1114 2.369 6.511 2.696 + 73ARG HH12 1115 2.237 6.621 2.679 + 73ARG NH2 1116 2.282 6.741 2.896 + 73ARG HH21 1117 2.322 6.787 2.974 + 73ARG HH22 1118 2.211 6.786 2.841 + 73ARG C 1119 2.901 6.392 2.684 + 73ARG O 1120 2.967 6.461 2.766 + 74ASN N 1121 2.960 6.300 2.610 + 74ASN H 1122 2.901 6.247 2.549 + 74ASN CA 1123 3.102 6.269 2.612 + 74ASN HA 1124 3.112 6.179 2.570 + 74ASN CB 1125 3.181 6.365 2.522 + 74ASN HB1 1126 3.187 6.453 2.568 + 74ASN HB2 1127 3.132 6.375 2.436 + 74ASN CG 1128 3.322 6.319 2.490 + 74ASN OD1 1129 3.356 6.203 2.516 + 74ASN ND2 1130 3.408 6.405 2.437 + 74ASN HD21 1131 3.379 6.499 2.419 + 74ASN HD22 1132 3.501 6.376 2.416 + 74ASN C 1133 3.157 6.258 2.754 + 74ASN O 1134 3.250 6.333 2.787 + 75LEU N 1135 3.096 6.172 2.835 + 75LEU H 1136 3.020 6.117 2.801 + 75LEU CA 1137 3.139 6.155 2.974 + 75LEU HA 1138 3.157 6.247 3.009 + 75LEU CB 1139 3.026 6.091 3.054 + 75LEU HB1 1140 3.062 6.063 3.143 + 75LEU HB2 1141 2.993 6.011 3.004 + 75LEU CG 1142 2.907 6.186 3.079 + 75LEU HG 1143 2.886 6.238 2.996 + 75LEU CD1 1144 2.782 6.105 3.115 + 75LEU HD11 1145 2.705 6.168 3.130 + 75LEU HD12 1146 2.760 6.043 3.039 + 75LEU HD13 1147 2.799 6.052 3.198 + 75LEU CD2 1148 2.941 6.283 3.192 + 75LEU HD21 1149 2.862 6.344 3.208 + 75LEU HD22 1150 2.960 6.231 3.275 + 75LEU HD23 1151 3.020 6.337 3.167 + 75LEU C 1152 3.276 6.087 2.989 + 75LEU O 1153 3.342 6.106 3.095 + 76CYS N 1154 3.322 6.017 2.887 + 76CYS H 1155 3.266 6.007 2.805 + 76CYS CA 1156 3.454 5.954 2.892 + 76CYS HA 1157 3.466 5.940 2.990 + 76CYS CB 1158 3.464 5.816 2.829 + 76CYS HB1 1159 3.562 5.801 2.820 + 76CYS HB2 1160 3.424 5.829 2.738 + 76CYS SG 1161 3.384 5.682 2.917 + 76CYS C 1162 3.563 6.046 2.840 + 76CYS O 1163 3.681 6.009 2.838 + 77ASN N 1164 3.520 6.154 2.778 + 77ASN H 1165 3.422 6.166 2.770 + 77ASN CA 1166 3.608 6.259 2.721 + 77ASN HA 1167 3.546 6.324 2.676 + 77ASN CB 1168 3.684 6.335 2.829 + 77ASN HB1 1169 3.760 6.279 2.861 + 77ASN HB2 1170 3.622 6.353 2.906 + 77ASN CG 1171 3.737 6.467 2.777 + 77ASN OD1 1172 3.659 6.545 2.721 + 77ASN ND2 1173 3.868 6.487 2.786 + 77ASN HD21 1174 3.927 6.417 2.826 + 77ASN HD22 1175 3.908 6.573 2.752 + 77ASN C 1176 3.695 6.202 2.611 + 77ASN O 1177 3.819 6.219 2.612 + 78ILE N 1178 3.639 6.127 2.519 + 78ILE H 1179 3.540 6.111 2.524 + 78ILE CA 1180 3.714 6.064 2.410 + 78ILE HA 1181 3.799 6.118 2.401 + 78ILE CB 1182 3.743 5.912 2.443 + 78ILE HB 1183 3.769 5.861 2.360 + 78ILE CG2 1184 3.868 5.886 2.529 + 78ILE HG21 1185 3.878 5.788 2.545 + 78ILE HG22 1186 3.948 5.921 2.481 + 78ILE HG23 1187 3.859 5.934 2.616 + 78ILE CG1 1188 3.612 5.850 2.496 + 78ILE HG11 1189 3.542 5.865 2.427 + 78ILE HG12 1190 3.589 5.898 2.580 + 78ILE CD 1191 3.618 5.698 2.526 + 78ILE HD1 1192 3.530 5.668 2.560 + 78ILE HD2 1193 3.641 5.648 2.443 + 78ILE HD3 1194 3.688 5.680 2.596 + 78ILE C 1195 3.635 6.071 2.280 + 78ILE O 1196 3.510 6.055 2.284 + 79PRO N 1197 3.707 6.065 2.170 + 79PRO CD 1198 3.852 6.088 2.160 + 79PRO HD1 1199 3.901 6.015 2.205 + 79PRO HD2 1200 3.876 6.176 2.201 + 79PRO CG 1201 3.879 6.089 2.010 + 79PRO HG1 1202 3.935 6.010 1.985 + 79PRO HG2 1203 3.928 6.173 1.985 + 79PRO CB 1204 3.750 6.083 1.937 + 79PRO HB1 1205 3.754 6.012 1.866 + 79PRO HB2 1206 3.731 6.171 1.894 + 79PRO CA 1207 3.644 6.049 2.039 + 79PRO HA 1208 3.566 6.109 2.023 + 79PRO C 1209 3.603 5.901 2.036 + 79PRO O 1210 3.682 5.813 2.081 + 80CYS N 1211 3.487 5.877 1.978 + 80CYS H 1212 3.431 5.953 1.947 + 80CYS CA 1213 3.441 5.738 1.957 + 80CYS HA 1214 3.438 5.706 2.052 + 80CYS CB 1215 3.299 5.720 1.906 + 80CYS HB1 1216 3.287 5.621 1.904 + 80CYS HB2 1217 3.303 5.755 1.813 + 80CYS SG 1218 3.171 5.802 2.005 + 80CYS C 1219 3.539 5.658 1.874 + 80CYS O 1220 3.546 5.534 1.893 + 81SER N 1221 3.602 5.715 1.773 + 81SER H 1222 3.578 5.810 1.753 + 81SER CA 1223 3.703 5.653 1.688 + 81SER HA 1224 3.648 5.584 1.640 + 81SER CB 1225 3.763 5.750 1.586 + 81SER HB1 1226 3.691 5.792 1.528 + 81SER HB2 1227 3.830 5.705 1.528 + 81SER OG 1228 3.828 5.854 1.658 + 81SER HG 1229 3.868 5.919 1.593 + 81SER C 1230 3.816 5.589 1.770 + 81SER O 1231 3.859 5.480 1.725 + 82ALA N 1232 3.848 5.643 1.886 + 82ALA H 1233 3.800 5.726 1.917 + 82ALA CA 1234 3.951 5.582 1.970 + 82ALA HA 1235 4.029 5.566 1.908 + 82ALA CB 1236 3.997 5.679 2.079 + 82ALA HB1 1237 4.068 5.636 2.135 + 82ALA HB2 1238 4.034 5.762 2.037 + 82ALA HB3 1239 3.918 5.703 2.137 + 82ALA C 1240 3.911 5.446 2.027 + 82ALA O 1241 3.994 5.366 2.073 + 83LEU N 1242 3.782 5.420 2.029 + 83LEU H 1243 3.720 5.491 1.995 + 83LEU CA 1244 3.721 5.295 2.077 + 83LEU HA 1245 3.779 5.258 2.150 + 83LEU CB 1246 3.586 5.328 2.138 + 83LEU HB1 1247 3.546 5.242 2.167 + 83LEU HB2 1248 3.530 5.368 2.065 + 83LEU CG 1249 3.576 5.422 2.257 + 83LEU HG 1250 3.618 5.508 2.227 + 83LEU CD1 1251 3.428 5.443 2.295 + 83LEU HD11 1252 3.424 5.505 2.374 + 83LEU HD12 1253 3.378 5.483 2.218 + 83LEU HD13 1254 3.388 5.355 2.320 + 83LEU CD2 1255 3.652 5.373 2.379 + 83LEU HD21 1256 3.641 5.439 2.454 + 83LEU HD22 1257 3.616 5.284 2.407 + 83LEU HD23 1258 3.750 5.364 2.356 + 83LEU C 1259 3.730 5.182 1.976 + 83LEU O 1260 3.691 5.068 2.007 + 84LEU N 1261 3.772 5.213 1.854 + 84LEU H 1262 3.795 5.308 1.835 + 84LEU CA 1263 3.786 5.116 1.746 + 84LEU HA 1264 3.737 5.034 1.779 + 84LEU CB 1265 3.716 5.165 1.620 + 84LEU HB1 1266 3.724 5.093 1.551 + 84LEU HB2 1267 3.766 5.246 1.589 + 84LEU CG 1268 3.569 5.204 1.624 + 84LEU HG 1269 3.557 5.271 1.697 + 84LEU CD1 1270 3.526 5.263 1.489 + 84LEU HD11 1271 3.430 5.288 1.494 + 84LEU HD12 1272 3.580 5.344 1.469 + 84LEU HD13 1273 3.539 5.195 1.417 + 84LEU CD2 1274 3.484 5.080 1.648 + 84LEU HD21 1275 3.388 5.106 1.651 + 84LEU HD22 1276 3.500 5.015 1.574 + 84LEU HD23 1277 3.510 5.039 1.735 + 84LEU C 1278 3.930 5.070 1.724 + 84LEU O 1279 3.957 5.010 1.619 + 85SER N 1280 4.018 5.106 1.813 + 85SER H 1281 3.990 5.166 1.888 + 85SER CA 1282 4.159 5.061 1.808 + 85SER HA 1283 4.192 5.084 1.717 + 85SER CB 1284 4.235 5.134 1.918 + 85SER HB1 1285 4.209 5.101 2.009 + 85SER HB2 1286 4.221 5.233 1.913 + 85SER OG 1287 4.372 5.107 1.898 + 85SER HG 1288 4.426 5.154 1.968 + 85SER C 1289 4.172 4.910 1.831 + 85SER O 1290 4.101 4.850 1.913 + 86SER N 1291 4.286 4.860 1.787 + 86SER H 1292 4.348 4.919 1.735 + 86SER CA 1293 4.326 4.720 1.811 + 86SER HA 1294 4.245 4.666 1.791 + 86SER CB 1295 4.436 4.673 1.716 + 86SER HB1 1296 4.497 4.608 1.760 + 86SER HB2 1297 4.488 4.749 1.678 + 86SER OG 1298 4.365 4.607 1.612 + 86SER HG 1299 4.430 4.573 1.544 + 86SER C 1300 4.364 4.701 1.958 + 86SER O 1301 4.356 4.591 2.014 + 87ASP N 1302 4.410 4.810 2.014 + 87ASP H 1303 4.415 4.892 1.956 + 87ASP CA 1304 4.452 4.825 2.154 + 87ASP HA 1305 4.501 4.744 2.187 + 87ASP CB 1306 4.547 4.947 2.160 + 87ASP HB1 1307 4.497 5.025 2.122 + 87ASP HB2 1308 4.626 4.926 2.102 + 87ASP CG 1309 4.601 4.990 2.294 + 87ASP OD1 1310 4.558 4.956 2.407 + 87ASP OD2 1311 4.703 5.066 2.288 + 87ASP C 1312 4.325 4.852 2.234 + 87ASP O 1313 4.273 4.962 2.210 + 88ILE N 1314 4.298 4.771 2.335 + 88ILE H 1315 4.359 4.695 2.357 + 88ILE CA 1316 4.175 4.795 2.415 + 88ILE HA 1317 4.117 4.836 2.346 + 88ILE CB 1318 4.123 4.660 2.476 + 88ILE HB 1319 4.038 4.674 2.527 + 88ILE CG2 1320 4.083 4.560 2.365 + 88ILE HG21 1321 4.050 4.475 2.406 + 88ILE HG22 1322 4.010 4.601 2.309 + 88ILE HG23 1323 4.162 4.541 2.307 + 88ILE CG1 1324 4.216 4.606 2.588 + 88ILE HG11 1325 4.252 4.686 2.636 + 88ILE HG12 1326 4.292 4.559 2.542 + 88ILE CD 1327 4.161 4.509 2.695 + 88ILE HD1 1328 4.234 4.484 2.759 + 88ILE HD2 1329 4.087 4.553 2.745 + 88ILE HD3 1330 4.127 4.426 2.650 + 88ILE C 1331 4.182 4.900 2.525 + 88ILE O 1332 4.084 4.917 2.601 + 89THR N 1333 4.299 4.965 2.544 + 89THR H 1334 4.376 4.944 2.484 + 89THR CA 1335 4.315 5.063 2.650 + 89THR HA 1336 4.315 5.001 2.729 + 89THR CB 1337 4.451 5.145 2.639 + 89THR HB 1338 4.459 5.202 2.557 + 89THR CG2 1339 4.466 5.241 2.758 + 89THR HG21 1340 4.552 5.292 2.749 + 89THR HG22 1341 4.390 5.305 2.759 + 89THR HG23 1342 4.468 5.189 2.843 + 89THR OG1 1343 4.558 5.045 2.630 + 89THR HG1 1344 4.647 5.092 2.622 + 89THR C 1345 4.199 5.162 2.665 + 89THR O 1346 4.159 5.184 2.781 + 90ALA N 1347 4.175 5.234 2.557 + 90ALA H 1348 4.227 5.216 2.474 + 90ALA CA 1349 4.073 5.341 2.557 + 90ALA HA 1350 4.106 5.410 2.622 + 90ALA CB 1351 4.062 5.407 2.419 + 90ALA HB1 1352 3.991 5.479 2.422 + 90ALA HB2 1353 4.149 5.447 2.394 + 90ALA HB3 1354 4.036 5.338 2.351 + 90ALA C 1355 3.937 5.293 2.608 + 90ALA O 1356 3.862 5.353 2.688 + 91SER N 1357 3.899 5.178 2.551 + 91SER H 1358 3.961 5.136 2.485 + 91SER CA 1359 3.773 5.108 2.579 + 91SER HA 1360 3.703 5.173 2.555 + 91SER CB 1361 3.753 4.989 2.489 + 91SER HB1 1362 3.674 4.936 2.522 + 91SER HB2 1363 3.835 4.932 2.490 + 91SER OG 1364 3.727 5.019 2.355 + 91SER HG 1365 3.714 4.935 2.304 + 91SER C 1366 3.767 5.068 2.728 + 91SER O 1367 3.665 5.092 2.792 + 92VAL N 1368 3.875 5.007 2.776 + 92VAL H 1369 3.951 4.986 2.715 + 92VAL CA 1370 3.884 4.971 2.919 + 92VAL HA 1371 3.806 4.912 2.939 + 92VAL CB 1372 4.014 4.890 2.946 + 92VAL HB 1373 4.095 4.932 2.905 + 92VAL CG1 1374 4.037 4.885 3.096 + 92VAL HG11 1375 4.121 4.833 3.115 + 92VAL HG12 1376 4.047 4.978 3.131 + 92VAL HG13 1377 3.960 4.840 3.141 + 92VAL CG2 1378 4.003 4.753 2.882 + 92VAL HG21 1379 4.085 4.701 2.900 + 92VAL HG22 1380 3.924 4.705 2.921 + 92VAL HG23 1381 3.990 4.763 2.784 + 92VAL C 1382 3.872 5.097 3.007 + 92VAL O 1383 3.796 5.088 3.105 + 93ASN N 1384 3.944 5.202 2.972 + 93ASN H 1385 4.003 5.197 2.891 + 93ASN CA 1386 3.941 5.327 3.049 + 93ASN HA 1387 3.970 5.292 3.138 + 93ASN CB 1388 4.042 5.433 3.006 + 93ASN HB1 1389 4.018 5.520 3.049 + 93ASN HB2 1390 4.037 5.443 2.906 + 93ASN CG 1391 4.182 5.394 3.045 + 93ASN OD1 1392 4.280 5.453 2.993 + 93ASN ND2 1393 4.195 5.305 3.144 + 93ASN HD21 1394 4.115 5.267 3.188 + 93ASN HD22 1395 4.286 5.276 3.174 + 93ASN C 1396 3.799 5.389 3.061 + 93ASN O 1397 3.760 5.425 3.172 + 94CYS N 1398 3.734 5.386 2.948 + 94CYS H 1399 3.779 5.352 2.865 + 94CYS CA 1400 3.593 5.431 2.944 + 94CYS HA 1401 3.588 5.518 2.993 + 94CYS CB 1402 3.553 5.456 2.800 + 94CYS HB1 1403 3.559 5.367 2.755 + 94CYS HB2 1404 3.625 5.517 2.763 + 94CYS SG 1405 3.388 5.529 2.786 + 94CYS C 1406 3.503 5.339 3.023 + 94CYS O 1407 3.421 5.389 3.105 + 95ALA N 1408 3.519 5.209 3.007 + 95ALA H 1409 3.589 5.177 2.944 + 95ALA CA 1410 3.438 5.109 3.078 + 95ALA HA 1411 3.346 5.133 3.045 + 95ALA CB 1412 3.474 4.965 3.042 + 95ALA HB1 1413 3.415 4.903 3.093 + 95ALA HB2 1414 3.461 4.951 2.944 + 95ALA HB3 1415 3.569 4.948 3.066 + 95ALA C 1416 3.448 5.119 3.230 + 95ALA O 1417 3.346 5.104 3.299 + 96LYS N 1418 3.566 5.149 3.280 + 96LYS H 1419 3.645 5.152 3.218 + 96LYS CA 1420 3.588 5.177 3.423 + 96LYS HA 1421 3.555 5.094 3.467 + 96LYS CB 1422 3.734 5.197 3.458 + 96LYS HB1 1423 3.740 5.233 3.552 + 96LYS HB2 1424 3.774 5.263 3.394 + 96LYS CG 1425 3.812 5.065 3.451 + 96LYS HG1 1426 3.796 5.023 3.362 + 96LYS HG2 1427 3.780 5.003 3.523 + 96LYS CD 1428 3.961 5.093 3.469 + 96LYS HD1 1429 3.973 5.144 3.554 + 96LYS HD2 1430 3.991 5.149 3.392 + 96LYS CE 1431 4.044 4.968 3.475 + 96LYS HE1 1432 4.038 4.917 3.389 + 96LYS HE2 1433 4.015 4.909 3.550 + 96LYS NZ 1434 4.186 5.010 3.498 + 96LYS HZ1 1435 4.245 4.930 3.502 + 96LYS HZ2 1436 4.215 5.069 3.423 + 96LYS HZ3 1437 4.192 5.061 3.584 + 96LYS C 1438 3.504 5.298 3.472 + 96LYS O 1439 3.454 5.287 3.584 + 97LYS N 1440 3.490 5.396 3.386 + 97LYS H 1441 3.537 5.392 3.298 + 97LYS CA 1442 3.405 5.512 3.419 + 97LYS HA 1443 3.432 5.537 3.512 + 97LYS CB 1444 3.434 5.632 3.328 + 97LYS HB1 1445 3.374 5.707 3.355 + 97LYS HB2 1446 3.414 5.605 3.234 + 97LYS CG 1447 3.579 5.679 3.337 + 97LYS HG1 1448 3.638 5.602 3.315 + 97LYS HG2 1449 3.596 5.709 3.431 + 97LYS CD 1450 3.609 5.793 3.242 + 97LYS HD1 1451 3.566 5.877 3.276 + 97LYS HD2 1452 3.572 5.771 3.151 + 97LYS CE 1453 3.759 5.815 3.232 + 97LYS HE1 1454 3.802 5.737 3.187 + 97LYS HE2 1455 3.797 5.827 3.323 + 97LYS NZ 1456 3.782 5.938 3.152 + 97LYS HZ1 1457 3.879 5.955 3.144 + 97LYS HZ2 1458 3.741 5.927 3.061 + 97LYS HZ3 1459 3.737 6.016 3.197 + 97LYS C 1460 3.257 5.476 3.420 + 97LYS O 1461 3.181 5.518 3.508 + 98ILE N 1462 3.214 5.399 3.323 + 98ILE H 1463 3.280 5.367 3.255 + 98ILE CA 1464 3.076 5.355 3.308 + 98ILE HA 1465 3.023 5.440 3.310 + 98ILE CB 1466 3.056 5.286 3.171 + 98ILE HB 1467 3.121 5.211 3.163 + 98ILE CG2 1468 2.914 5.225 3.163 + 98ILE HG21 1469 2.901 5.180 3.074 + 98ILE HG22 1470 2.901 5.157 3.236 + 98ILE HG23 1471 2.845 5.297 3.173 + 98ILE CG1 1472 3.089 5.377 3.051 + 98ILE HG11 1473 3.181 5.415 3.066 + 98ILE HG12 1474 3.023 5.451 3.050 + 98ILE CD 1475 3.086 5.306 2.913 + 98ILE HD1 1476 3.109 5.372 2.842 + 98ILE HD2 1477 3.154 5.232 2.913 + 98ILE HD3 1478 2.996 5.269 2.896 + 98ILE C 1479 3.027 5.273 3.426 + 98ILE O 1480 2.931 5.311 3.494 + 99VAL N 1481 3.112 5.183 3.472 + 99VAL H 1482 3.204 5.179 3.435 + 99VAL CA 1483 3.073 5.087 3.577 + 99VAL HA 1484 2.980 5.056 3.560 + 99VAL CB 1485 3.164 4.963 3.567 + 99VAL HB 1486 3.168 4.933 3.472 + 99VAL CG1 1487 3.306 5.000 3.609 + 99VAL HG11 1488 3.365 4.919 3.602 + 99VAL HG12 1489 3.341 5.071 3.549 + 99VAL HG13 1490 3.305 5.033 3.703 + 99VAL CG2 1491 3.108 4.845 3.644 + 99VAL HG21 1492 3.170 4.767 3.636 + 99VAL HG22 1493 3.099 4.870 3.741 + 99VAL HG23 1494 3.019 4.821 3.607 + 99VAL C 1495 3.068 5.156 3.713 + 99VAL O 1496 2.999 5.107 3.804 + 100SER N 1497 3.145 5.261 3.722 + 100SER H 1498 3.198 5.289 3.643 + 100SER CA 1499 3.155 5.339 3.846 + 100SER HA 1500 3.148 5.276 3.924 + 100SER CB 1501 3.289 5.405 3.853 + 100SER HB1 1502 3.293 5.464 3.934 + 100SER HB2 1503 3.305 5.460 3.771 + 100SER OG 1504 3.395 5.312 3.863 + 100SER HG 1505 3.483 5.362 3.867 + 100SER C 1506 3.036 5.436 3.857 + 100SER O 1507 3.024 5.499 3.963 + 101ASP N 1508 2.955 5.446 3.756 + 101ASP H 1509 2.974 5.387 3.678 + 101ASP CA 1510 2.841 5.535 3.746 + 101ASP HA 1511 2.882 5.614 3.793 + 101ASP CB 1512 2.806 5.571 3.602 + 101ASP HB1 1513 2.727 5.515 3.573 + 101ASP HB2 1514 2.885 5.551 3.544 + 101ASP CG 1515 2.767 5.718 3.582 + 101ASP OD1 1516 2.849 5.808 3.608 + 101ASP OD2 1517 2.652 5.738 3.536 + 101ASP C 1518 2.717 5.504 3.829 + 101ASP O 1519 2.638 5.600 3.849 + 102GLY N 1520 2.697 5.380 3.870 + 102GLY H 1521 2.756 5.306 3.837 + 102GLY CA 1522 2.586 5.352 3.963 + 102GLY HA1 1523 2.526 5.431 3.963 + 102GLY HA2 1524 2.626 5.341 4.054 + 102GLY C 1525 2.506 5.227 3.931 + 102GLY O 1526 2.444 5.176 4.027 + 103ASN N 1527 2.504 5.186 3.805 + 103ASN H 1528 2.555 5.239 3.736 + 103ASN CA 1529 2.432 5.066 3.766 + 103ASN HA 1530 2.382 5.042 3.848 + 103ASN CB 1531 2.322 5.091 3.663 + 103ASN HB1 1532 2.358 5.067 3.573 + 103ASN HB2 1533 2.299 5.188 3.665 + 103ASN CG 1534 2.195 5.011 3.687 + 103ASN OD1 1535 2.175 4.944 3.791 + 103ASN ND2 1536 2.092 5.029 3.605 + 103ASN HD21 1537 2.099 5.094 3.530 + 103ASN HD22 1538 2.007 4.977 3.619 + 103ASN C 1539 2.523 4.946 3.741 + 103ASN O 1540 2.471 4.844 3.693 + 104GLY N 1541 2.648 4.957 3.781 + 104GLY H 1542 2.681 5.043 3.821 + 104GLY CA 1543 2.743 4.843 3.767 + 104GLY HA1 1544 2.711 4.768 3.825 + 104GLY HA2 1545 2.833 4.871 3.795 + 104GLY C 1546 2.741 4.800 3.620 + 104GLY O 1547 2.740 4.890 3.535 + 105MET N 1548 2.743 4.671 3.592 + 105MET H 1549 2.737 4.604 3.667 + 105MET CA 1550 2.753 4.623 3.453 + 105MET HA 1551 2.806 4.692 3.405 + 105MET CB 1552 2.829 4.491 3.444 + 105MET HB1 1553 2.815 4.452 3.353 + 105MET HB2 1554 2.792 4.428 3.513 + 105MET CG 1555 2.977 4.508 3.468 + 105MET HG1 1556 2.986 4.535 3.564 + 105MET HG2 1557 3.004 4.584 3.409 + 105MET SD 1558 3.062 4.352 3.430 + 105MET CE 1559 3.062 4.357 3.251 + 105MET HE1 1560 3.106 4.275 3.216 + 105MET HE2 1561 2.967 4.359 3.219 + 105MET HE3 1562 3.111 4.438 3.220 + 105MET C 1563 2.616 4.617 3.387 + 105MET O 1564 2.615 4.578 3.268 + 106ASN N 1565 2.514 4.670 3.455 + 106ASN H 1566 2.527 4.705 3.547 + 106ASN CA 1567 2.381 4.676 3.391 + 106ASN HA 1568 2.362 4.583 3.358 + 106ASN CB 1569 2.266 4.701 3.489 + 106ASN HB1 1570 2.182 4.720 3.439 + 106ASN HB2 1571 2.289 4.780 3.547 + 106ASN CG 1572 2.246 4.580 3.578 + 106ASN OD1 1573 2.208 4.473 3.525 + 106ASN ND2 1574 2.279 4.591 3.707 + 106ASN HD21 1575 2.316 4.677 3.741 + 106ASN HD22 1576 2.266 4.513 3.768 + 106ASN C 1577 2.382 4.769 3.270 + 106ASN O 1578 2.293 4.761 3.183 + 107ALA N 1579 2.487 4.851 3.261 + 107ALA H 1580 2.553 4.853 3.336 + 107ALA CA 1581 2.507 4.937 3.144 + 107ALA HA 1582 2.422 4.991 3.137 + 107ALA CB 1583 2.631 5.023 3.169 + 107ALA HB1 1584 2.645 5.083 3.090 + 107ALA HB2 1585 2.616 5.079 3.251 + 107ALA HB3 1586 2.711 4.964 3.182 + 107ALA C 1587 2.526 4.860 3.014 + 107ALA O 1588 2.497 4.915 2.907 + 108TRP N 1589 2.562 4.732 3.024 + 108TRP H 1590 2.579 4.693 3.115 + 108TRP CA 1591 2.578 4.648 2.905 + 108TRP HA 1592 2.582 4.709 2.826 + 108TRP CB 1593 2.708 4.569 2.915 + 108TRP HB1 1594 2.707 4.493 2.849 + 108TRP HB2 1595 2.720 4.532 3.007 + 108TRP CG 1596 2.825 4.660 2.884 + 108TRP CD1 1597 2.861 4.709 2.761 + 108TRP HD1 1598 2.816 4.686 2.674 + 108TRP NE1 1599 2.966 4.796 2.776 + 108TRP HE1 1600 3.013 4.842 2.701 + 108TRP CE2 1601 2.996 4.810 2.908 + 108TRP CZ2 1602 3.092 4.884 2.973 + 108TRP HZ2 1603 3.159 4.938 2.921 + 108TRP CH2 1604 3.093 4.882 3.111 + 108TRP HH2 1605 3.161 4.936 3.160 + 108TRP CZ3 1606 3.001 4.806 3.184 + 108TRP HZ3 1607 3.004 4.808 3.284 + 108TRP CE3 1608 2.908 4.729 3.119 + 108TRP HE3 1609 2.843 4.673 3.171 + 108TRP CD2 1610 2.905 4.730 2.980 + 108TRP C 1611 2.457 4.555 2.892 + 108TRP O 1612 2.448 4.468 2.980 + 109VAL N 1613 2.374 4.578 2.791 + 109VAL H 1614 2.392 4.649 2.723 + 109VAL CA 1615 2.251 4.496 2.783 + 109VAL HA 1616 2.211 4.504 2.875 + 109VAL CB 1617 2.139 4.552 2.695 + 109VAL HB 1618 2.115 4.640 2.737 + 109VAL CG1 1619 2.185 4.577 2.553 + 109VAL HG11 1620 2.109 4.613 2.499 + 109VAL HG12 1621 2.260 4.642 2.553 + 109VAL HG13 1622 2.216 4.490 2.512 + 109VAL CG2 1623 2.014 4.464 2.695 + 109VAL HG21 1624 1.946 4.506 2.636 + 109VAL HG22 1625 2.039 4.374 2.660 + 109VAL HG23 1626 1.979 4.456 2.788 + 109VAL C 1627 2.282 4.347 2.769 + 109VAL O 1628 2.217 4.267 2.840 + 110ALA N 1629 2.381 4.317 2.688 + 110ALA H 1630 2.431 4.392 2.646 + 110ALA CA 1631 2.421 4.179 2.657 + 110ALA HA 1632 2.336 4.135 2.629 + 110ALA CB 1633 2.510 4.164 2.535 + 110ALA HB1 1634 2.533 4.067 2.523 + 110ALA HB2 1635 2.463 4.198 2.455 + 110ALA HB3 1636 2.595 4.216 2.549 + 110ALA C 1637 2.474 4.110 2.782 + 110ALA O 1638 2.444 3.991 2.798 + 111TRP N 1639 2.536 4.184 2.870 + 111TRP H 1640 2.556 4.280 2.847 + 111TRP CA 1641 2.579 4.136 3.001 + 111TRP HA 1642 2.635 4.055 2.981 + 111TRP CB 1643 2.674 4.231 3.074 + 111TRP HB1 1644 2.628 4.319 3.087 + 111TRP HB2 1645 2.757 4.244 3.020 + 111TRP CG 1646 2.711 4.176 3.206 + 111TRP CD1 1647 2.810 4.084 3.230 + 111TRP HD1 1648 2.874 4.049 3.160 + 111TRP NE1 1649 2.809 4.045 3.362 + 111TRP HE1 1650 2.875 3.982 3.405 + 111TRP CE2 1651 2.704 4.108 3.424 + 111TRP CZ2 1652 2.674 4.114 3.559 + 111TRP HZ2 1653 2.726 4.062 3.627 + 111TRP CH2 1654 2.569 4.197 3.597 + 111TRP HH2 1655 2.537 4.196 3.692 + 111TRP CZ3 1656 2.507 4.281 3.505 + 111TRP HZ3 1657 2.434 4.343 3.536 + 111TRP CE3 1658 2.543 4.282 3.372 + 111TRP HE3 1659 2.497 4.342 3.306 + 111TRP CD2 1660 2.645 4.195 3.331 + 111TRP C 1661 2.458 4.094 3.086 + 111TRP O 1662 2.453 3.985 3.145 + 112ARG N 1663 2.368 4.190 3.104 + 112ARG H 1664 2.386 4.280 3.066 + 112ARG CA 1665 2.243 4.169 3.176 + 112ARG HA 1666 2.274 4.159 3.271 + 112ARG CB 1667 2.145 4.285 3.175 + 112ARG HB1 1668 2.082 4.267 3.250 + 112ARG HB2 1669 2.098 4.279 3.088 + 112ARG CG 1670 2.184 4.430 3.190 + 112ARG HG1 1671 2.240 4.457 3.112 + 112ARG HG2 1672 2.236 4.442 3.275 + 112ARG CD 1673 2.062 4.516 3.194 + 112ARG HD1 1674 2.085 4.604 3.235 + 112ARG HD2 1675 1.992 4.471 3.251 + 112ARG NE 1676 2.003 4.541 3.065 + 112ARG HE 1677 1.954 4.464 3.022 + 112ARG CZ 1678 2.003 4.656 2.995 + 112ARG NH1 1679 2.085 4.758 3.019 + 112ARG HH11 1680 2.151 4.753 3.094 + 112ARG HH12 1681 2.079 4.840 2.963 + 112ARG NH2 1682 1.896 4.687 2.921 + 112ARG HH21 1683 1.817 4.625 2.918 + 112ARG HH22 1684 1.895 4.772 2.868 + 112ARG C 1685 2.171 4.045 3.120 + 112ARG O 1686 2.125 3.965 3.203 + 113ASN N 1687 2.155 4.038 2.988 + 113ASN H 1688 2.201 4.105 2.929 + 113ASN CA 1689 2.070 3.932 2.930 + 113ASN HA 1690 1.990 3.933 2.989 + 113ASN CB 1691 2.022 3.964 2.789 + 113ASN HB1 1692 1.974 3.883 2.754 + 113ASN HB2 1693 2.101 3.985 2.732 + 113ASN CG 1694 1.924 4.082 2.783 + 113ASN OD1 1695 1.870 4.120 2.887 + 113ASN ND2 1696 1.908 4.142 2.665 + 113ASN HD21 1697 1.959 4.108 2.585 + 113ASN HD22 1698 1.847 4.219 2.657 + 113ASN C 1699 2.135 3.794 2.940 + 113ASN O 1700 2.069 3.691 2.962 + 114ARG N 1701 2.264 3.790 2.916 + 114ARG H 1702 2.316 3.876 2.921 + 114ARG CA 1703 2.341 3.670 2.885 + 114ARG HA 1704 2.273 3.597 2.902 + 114ARG CB 1705 2.386 3.677 2.739 + 114ARG HB1 1706 2.458 3.609 2.722 + 114ARG HB2 1707 2.422 3.768 2.718 + 114ARG CG 1708 2.264 3.647 2.651 + 114ARG HG1 1709 2.201 3.724 2.656 + 114ARG HG2 1710 2.218 3.565 2.684 + 114ARG CD 1711 2.297 3.626 2.508 + 114ARG HD1 1712 2.217 3.592 2.459 + 114ARG HD2 1713 2.372 3.559 2.500 + 114ARG NE 1714 2.339 3.754 2.451 + 114ARG HE 1715 2.397 3.814 2.507 + 114ARG CZ 1716 2.307 3.794 2.327 + 114ARG NH1 1717 2.263 3.709 2.235 + 114ARG HH11 1718 2.253 3.612 2.258 + 114ARG HH12 1719 2.239 3.741 2.144 + 114ARG NH2 1720 2.297 3.925 2.301 + 114ARG HH21 1721 2.316 3.992 2.374 + 114ARG HH22 1722 2.273 3.956 2.210 + 114ARG C 1723 2.451 3.630 2.980 + 114ARG O 1724 2.476 3.508 2.991 + 115CYS N 1725 2.499 3.723 3.058 + 115CYS H 1726 2.461 3.816 3.055 + 115CYS CA 1727 2.609 3.690 3.152 + 115CYS HA 1728 2.636 3.596 3.133 + 115CYS CB 1729 2.724 3.788 3.124 + 115CYS HB1 1730 2.796 3.761 3.187 + 115CYS HB2 1731 2.688 3.877 3.150 + 115CYS SG 1732 2.780 3.787 2.955 + 115CYS C 1733 2.569 3.679 3.297 + 115CYS O 1734 2.622 3.598 3.375 + 116LYS N 1735 2.496 3.778 3.343 + 116LYS H 1736 2.464 3.846 3.278 + 116LYS CA 1737 2.457 3.795 3.484 + 116LYS HA 1738 2.539 3.805 3.541 + 116LYS CB 1739 2.374 3.922 3.494 + 116LYS HB1 1740 2.299 3.917 3.428 + 116LYS HB2 1741 2.431 4.001 3.472 + 116LYS CG 1742 2.318 3.937 3.636 + 116LYS HG1 1743 2.389 3.972 3.696 + 116LYS HG2 1744 2.287 3.848 3.669 + 116LYS CD 1745 2.198 4.034 3.636 + 116LYS HD1 1746 2.115 3.984 3.618 + 116LYS HD2 1747 2.213 4.104 3.566 + 116LYS CE 1748 2.191 4.101 3.773 + 116LYS HE1 1749 2.272 4.158 3.787 + 116LYS HE2 1750 2.187 4.030 3.844 + 116LYS NZ 1751 2.069 4.187 3.786 + 116LYS HZ1 1752 2.069 4.229 3.877 + 116LYS HZ2 1753 2.072 4.259 3.716 + 116LYS HZ3 1754 1.987 4.132 3.773 + 116LYS C 1755 2.388 3.668 3.533 + 116LYS O 1756 2.306 3.609 3.460 + 117GLY N 1757 2.440 3.618 3.645 + 117GLY H 1758 2.520 3.661 3.686 + 117GLY CA 1759 2.381 3.499 3.708 + 117GLY HA1 1760 2.282 3.505 3.696 + 117GLY HA2 1761 2.402 3.503 3.805 + 117GLY C 1762 2.427 3.364 3.654 + 117GLY O 1763 2.375 3.259 3.697 + 118THR N 1764 2.513 3.366 3.555 + 118THR H 1765 2.542 3.455 3.517 + 118THR CA 1766 2.572 3.244 3.498 + 118THR HA 1767 2.513 3.168 3.529 + 118THR CB 1768 2.569 3.243 3.341 + 118THR HB 1769 2.582 3.152 3.300 + 118THR CG2 1770 2.434 3.296 3.288 + 118THR HG21 1771 2.434 3.295 3.188 + 118THR HG22 1772 2.359 3.239 3.322 + 118THR HG23 1773 2.421 3.390 3.320 + 118THR OG1 1774 2.681 3.326 3.297 + 118THR HG1 1775 2.682 3.329 3.197 + 118THR C 1776 2.711 3.224 3.557 + 118THR O 1777 2.757 3.298 3.646 + 119ASP N 1778 2.763 3.107 3.524 + 119ASP H 1779 2.707 3.042 3.474 + 119ASP CA 1780 2.901 3.069 3.557 + 119ASP HA 1781 2.921 3.099 3.650 + 119ASP CB 1782 2.918 2.917 3.555 + 119ASP HB1 1783 2.898 2.883 3.463 + 119ASP HB2 1784 2.853 2.877 3.620 + 119ASP CG 1785 3.059 2.876 3.593 + 119ASP OD1 1786 3.129 2.949 3.664 + 119ASP OD2 1787 3.096 2.761 3.561 + 119ASP C 1788 2.996 3.140 3.459 + 119ASP O 1789 3.043 3.081 3.359 + 120VAL N 1790 3.023 3.265 3.490 + 120VAL H 1791 2.980 3.304 3.572 + 120VAL CA 1792 3.114 3.350 3.412 + 120VAL HA 1793 3.080 3.332 3.319 + 120VAL CB 1794 3.096 3.499 3.444 + 120VAL HB 1795 3.164 3.551 3.391 + 120VAL CG1 1796 2.961 3.551 3.399 + 120VAL HG11 1797 2.953 3.649 3.422 + 120VAL HG12 1798 2.951 3.539 3.301 + 120VAL HG13 1799 2.888 3.501 3.446 + 120VAL CG2 1800 3.134 3.534 3.586 + 120VAL HG21 1801 3.121 3.632 3.601 + 120VAL HG22 1802 3.075 3.483 3.649 + 120VAL HG23 1803 3.228 3.510 3.603 + 120VAL C 1804 3.259 3.306 3.411 + 120VAL O 1805 3.335 3.346 3.322 + 121GLN N 1806 3.295 3.229 3.512 + 121GLN H 1807 3.230 3.214 3.586 + 121GLN CA 1808 3.427 3.164 3.520 + 121GLN HA 1809 3.496 3.237 3.515 + 121GLN CB 1810 3.434 3.091 3.654 + 121GLN HB1 1811 3.397 2.998 3.644 + 121GLN HB2 1812 3.381 3.141 3.723 + 121GLN CG 1813 3.578 3.082 3.698 + 121GLN HG1 1814 3.626 3.164 3.667 + 121GLN HG2 1815 3.619 3.001 3.657 + 121GLN CD 1816 3.586 3.074 3.848 + 121GLN OE1 1817 3.661 3.149 3.909 + 121GLN NE2 1818 3.513 2.973 3.896 + 121GLN HE21 1819 3.461 2.915 3.833 + 121GLN HE22 1820 3.510 2.956 3.995 + 121GLN C 1821 3.457 3.072 3.402 + 121GLN O 1822 3.572 3.053 3.363 + 122ALA N 1823 3.355 3.013 3.339 + 122ALA H 1824 3.264 3.019 3.382 + 122ALA CA 1825 3.364 2.941 3.212 + 122ALA HA 1826 3.412 2.857 3.237 + 122ALA CB 1827 3.224 2.910 3.159 + 122ALA HB1 1828 3.231 2.861 3.073 + 122ALA HB2 1829 3.175 2.854 3.226 + 122ALA HB3 1830 3.174 2.996 3.145 + 122ALA C 1831 3.444 3.015 3.104 + 122ALA O 1832 3.527 2.957 3.033 + 123TRP N 1833 3.427 3.148 3.105 + 123TRP H 1834 3.365 3.188 3.173 + 123TRP CA 1835 3.494 3.236 3.009 + 123TRP HA 1836 3.483 3.192 2.920 + 123TRP CB 1837 3.428 3.373 3.016 + 123TRP HB1 1838 3.477 3.438 2.958 + 123TRP HB2 1839 3.425 3.406 3.110 + 123TRP CG 1840 3.286 3.359 2.966 + 123TRP CD1 1841 3.172 3.347 3.040 + 123TRP HD1 1842 3.170 3.348 3.140 + 123TRP NE1 1843 3.065 3.332 2.958 + 123TRP HE1 1844 2.970 3.327 2.989 + 123TRP CE2 1845 3.108 3.325 2.829 + 123TRP CZ2 1846 3.036 3.304 2.712 + 123TRP HZ2 1847 2.937 3.294 2.713 + 123TRP CH2 1848 3.108 3.299 2.594 + 123TRP HH2 1849 3.060 3.280 2.508 + 123TRP CZ3 1850 3.247 3.319 2.592 + 123TRP HZ3 1851 3.295 3.323 2.505 + 123TRP CE3 1852 3.319 3.333 2.709 + 123TRP HE3 1853 3.420 3.337 2.708 + 123TRP CD2 1854 3.249 3.341 2.829 + 123TRP C 1855 3.647 3.244 3.020 + 123TRP O 1856 3.716 3.280 2.922 + 124ILE N 1857 3.698 3.213 3.136 + 124ILE H 1858 3.638 3.187 3.211 + 124ILE CA 1859 3.843 3.215 3.161 + 124ILE HA 1860 3.882 3.237 3.071 + 124ILE CB 1861 3.875 3.326 3.267 + 124ILE HB 1862 3.974 3.336 3.280 + 124ILE CG2 1863 3.826 3.466 3.220 + 124ILE HG21 1864 3.849 3.535 3.290 + 124ILE HG22 1865 3.874 3.490 3.134 + 124ILE HG23 1866 3.728 3.464 3.205 + 124ILE CG1 1867 3.820 3.284 3.404 + 124ILE HG11 1868 3.816 3.184 3.406 + 124ILE HG12 1869 3.727 3.321 3.412 + 124ILE CD 1870 3.898 3.330 3.530 + 124ILE HD1 1871 3.852 3.296 3.612 + 124ILE HD2 1872 3.990 3.293 3.527 + 124ILE HD3 1873 3.901 3.430 3.533 + 124ILE C 1874 3.911 3.082 3.183 + 124ILE O 1875 4.035 3.075 3.194 + 125ARG N 1876 3.832 2.976 3.194 + 125ARG H 1877 3.734 2.989 3.189 + 125ARG CA 1878 3.884 2.839 3.213 + 125ARG HA 1879 3.947 2.842 3.291 + 125ARG CB 1880 3.773 2.741 3.246 + 125ARG HB1 1881 3.803 2.649 3.222 + 125ARG HB2 1882 3.691 2.765 3.192 + 125ARG CG 1883 3.737 2.746 3.396 + 125ARG HG1 1884 3.684 2.829 3.416 + 125ARG HG2 1885 3.819 2.744 3.451 + 125ARG CD 1886 3.652 2.625 3.429 + 125ARG HD1 1887 3.710 2.553 3.467 + 125ARG HD2 1888 3.605 2.592 3.347 + 125ARG NE 1889 3.553 2.661 3.528 + 125ARG HE 1890 3.588 2.670 3.621 + 125ARG CZ 1891 3.422 2.685 3.514 + 125ARG NH1 1892 3.358 2.655 3.402 + 125ARG HH11 1893 3.408 2.613 3.325 + 125ARG HH12 1894 3.260 2.674 3.394 + 125ARG NH2 1895 3.364 2.741 3.620 + 125ARG HH21 1896 3.418 2.761 3.702 + 125ARG HH22 1897 3.266 2.762 3.618 + 125ARG C 1898 3.955 2.797 3.085 + 125ARG O 1899 3.908 2.820 2.972 + 126GLY N 1900 4.075 2.743 3.105 + 126GLY H 1901 4.110 2.736 3.198 + 126GLY CA 1902 4.154 2.692 2.991 + 126GLY HA1 1903 4.091 2.673 2.915 + 126GLY HA2 1904 4.199 2.607 3.019 + 126GLY C 1905 4.258 2.793 2.947 + 126GLY O 1906 4.346 2.759 2.866 + 127CYS N 1907 4.259 2.908 3.011 + 127CYS H 1908 4.194 2.921 3.086 + 127CYS CA 1909 4.347 3.019 2.977 + 127CYS HA 1910 4.383 3.003 2.885 + 127CYS CB 1911 4.269 3.149 2.980 + 127CYS HB1 1912 4.339 3.217 2.958 + 127CYS HB2 1913 4.246 3.157 3.077 + 127CYS SG 1914 4.126 3.168 2.875 + 127CYS C 1915 4.466 3.024 3.074 + 127CYS O 1916 4.445 3.013 3.195 + 128ARG N 1917 4.583 3.055 3.020 + 128ARG H 1918 4.590 3.061 2.921 + 128ARG CA 1919 4.701 3.082 3.103 + 128ARG HA 1920 4.690 3.033 3.189 + 128ARG CB 1921 4.830 3.016 3.052 + 128ARG HB1 1922 4.907 3.073 3.079 + 128ARG HB2 1923 4.825 3.011 2.952 + 128ARG CG 1924 4.847 2.875 3.109 + 128ARG HG1 1925 4.909 2.822 3.049 + 128ARG HG2 1926 4.759 2.829 3.115 + 128ARG CD 1927 4.907 2.877 3.246 + 128ARG HD1 1928 4.898 2.787 3.288 + 128ARG HD2 1929 4.859 2.945 3.302 + 128ARG NE 1930 5.049 2.912 3.245 + 128ARG HE 1931 5.108 2.854 3.188 + 128ARG CZ 1932 5.110 3.012 3.309 + 128ARG NH1 1933 5.049 3.093 3.396 + 128ARG HH11 1934 4.951 3.080 3.415 + 128ARG HH12 1935 5.100 3.166 3.442 + 128ARG NH2 1936 5.238 3.041 3.278 + 128ARG HH21 1937 5.286 2.989 3.208 + 128ARG HH22 1938 5.285 3.116 3.326 + 128ARG C 1939 4.707 3.230 3.139 + 128ARG O 1940 4.722 3.315 3.050 + 129LEU N 1941 4.654 3.257 3.258 + 129LEU H 1942 4.626 3.181 3.316 + 129LEU CA 1943 4.634 3.394 3.308 + 129LEU HA 1944 4.653 3.458 3.233 + 129LEU CB 1945 4.489 3.420 3.346 + 129LEU HB1 1946 4.488 3.482 3.423 + 129LEU HB2 1947 4.450 3.332 3.374 + 129LEU CG 1948 4.393 3.478 3.243 + 129LEU HG 1949 4.394 3.577 3.253 + 129LEU CD1 1950 4.436 3.452 3.100 + 129LEU HD11 1951 4.370 3.493 3.038 + 129LEU HD12 1952 4.525 3.492 3.084 + 129LEU HD13 1953 4.440 3.353 3.084 + 129LEU CD2 1954 4.255 3.418 3.270 + 129LEU HD21 1955 4.190 3.455 3.203 + 129LEU HD22 1956 4.260 3.319 3.261 + 129LEU HD23 1957 4.227 3.443 3.362 + 129LEU C 1958 4.736 3.424 3.418 + 129LEU OC1 1959 4.847 3.454 3.372 + 129LEU OC2 1960 4.698 3.414 3.537 + 130SOL OW 1961 0.230 0.628 0.113 + 130SOL HW1 1962 0.137 0.626 0.150 + 130SOL HW2 1963 0.231 0.589 0.021 + 131SOL OW 1964 0.225 0.275 0.996 + 131SOL HW1 1965 0.260 0.258 1.088 + 131SOL HW2 1966 0.137 0.230 0.984 + 132SOL OW 1967 0.019 0.368 0.647 + 132SOL HW1 1968 -0.063 0.411 0.686 + 132SOL HW2 1969 -0.009 0.295 0.584 + 133SOL OW 1970 0.569 1.275 1.165 + 133SOL HW1 1971 0.476 1.268 1.128 + 133SOL HW2 1972 0.580 1.364 1.209 + 134SOL OW 1973 1.555 1.511 0.703 + 134SOL HW1 1974 1.498 1.495 0.784 + 134SOL HW2 1975 1.496 1.521 0.623 + 135SOL OW 1976 1.135 0.703 0.717 + 135SOL HW1 1977 1.192 0.781 0.692 + 135SOL HW2 1978 1.075 0.729 0.793 + 136SOL OW 1979 1.755 0.607 0.231 + 136SOL HW1 1980 1.743 0.594 0.132 + 136SOL HW2 1981 1.725 0.526 0.280 + 137SOL OW 1982 0.768 1.144 1.023 + 137SOL HW1 1983 0.690 1.161 1.083 + 137SOL HW2 1984 0.802 1.231 0.987 + 138SOL OW 1985 0.850 0.798 1.823 + 138SOL HW1 1986 0.846 0.874 1.888 + 138SOL HW2 1987 0.872 0.834 1.732 + 139SOL OW 1988 0.685 1.012 0.665 + 139SOL HW1 1989 0.754 0.996 0.735 + 139SOL HW2 1990 0.612 1.069 0.703 + 140SOL OW 1991 0.686 1.161 1.803 + 140SOL HW1 1992 0.746 1.240 1.817 + 140SOL HW2 1993 0.600 1.192 1.762 + 141SOL OW 1994 0.335 1.435 1.061 + 141SOL HW1 1995 0.257 1.404 1.008 + 141SOL HW2 1996 0.393 1.493 1.004 + 142SOL OW 1997 1.460 1.505 1.339 + 142SOL HW1 1998 1.484 1.599 1.365 + 142SOL HW2 1999 1.444 1.451 1.421 + 143SOL OW 2000 1.603 0.447 0.737 + 143SOL HW1 2001 1.529 0.493 0.687 + 143SOL HW2 2002 1.654 0.515 0.790 + 144SOL OW 2003 0.231 1.713 0.483 + 144SOL HW1 2004 0.265 1.790 0.537 + 144SOL HW2 2005 0.275 1.713 0.393 + 145SOL OW 2006 1.127 1.341 1.690 + 145SOL HW1 2007 1.174 1.341 1.778 + 145SOL HW2 2008 1.079 1.254 1.679 + 146SOL OW 2009 0.230 1.434 0.538 + 146SOL HW1 2010 0.204 1.530 0.538 + 146SOL HW2 2011 0.159 1.380 0.583 + 147SOL OW 2012 0.240 1.091 0.886 + 147SOL HW1 2013 0.254 1.007 0.938 + 147SOL HW2 2014 0.185 1.155 0.941 + 148SOL OW 2015 0.620 1.786 1.439 + 148SOL HW1 2016 0.528 1.769 1.474 + 148SOL HW2 2017 0.648 1.878 1.465 + 149SOL OW 2018 0.606 0.964 0.123 + 149SOL HW1 2019 0.613 1.048 0.069 + 149SOL HW2 2020 0.652 0.977 0.211 + 150SOL OW 2021 1.594 0.114 1.480 + 150SOL HW1 2022 1.576 0.181 1.408 + 150SOL HW2 2023 1.591 0.160 1.569 + 151SOL OW 2024 0.122 0.643 0.563 + 151SOL HW1 2025 0.077 0.555 0.580 + 151SOL HW2 2026 0.121 0.697 0.647 + 152SOL OW 2027 1.842 1.767 0.359 + 152SOL HW1 2028 1.896 1.738 0.439 + 152SOL HW2 2029 1.872 1.857 0.330 + 153SOL OW 2030 0.027 1.596 0.117 + 153SOL HW1 2031 0.008 1.500 0.138 + 153SOL HW2 2032 -0.006 1.654 0.192 + 154SOL OW 2033 1.689 0.922 0.612 + 154SOL HW1 2034 1.784 0.893 0.620 + 154SOL HW2 2035 1.681 0.987 0.537 + 155SOL OW 2036 1.641 1.108 0.432 + 155SOL HW1 2037 1.727 1.110 0.380 + 155SOL HW2 2038 1.655 1.155 0.520 + 156SOL OW 2039 0.113 0.737 1.597 + 156SOL HW1 2040 0.201 0.724 1.642 + 156SOL HW2 2041 0.100 0.834 1.575 + 157SOL OW 2042 0.613 1.365 0.726 + 157SOL HW1 2043 0.564 1.278 0.735 + 157SOL HW2 2044 0.590 1.408 0.639 + 158SOL OW 2045 1.293 1.228 1.423 + 158SOL HW1 2046 1.330 1.155 1.365 + 158SOL HW2 2047 1.345 1.233 1.508 + 159SOL OW 2048 0.809 0.004 0.502 + 159SOL HW1 2049 0.849 0.095 0.493 + 159SOL HW2 2050 0.709 0.012 0.508 + 160SOL OW 2051 0.197 0.976 1.264 + 160SOL HW1 2052 0.286 0.931 1.250 + 160SOL HW2 2053 0.124 0.911 1.245 + 161SOL OW 2054 1.525 0.999 0.190 + 161SOL HW1 2055 1.462 0.923 0.203 + 161SOL HW2 2056 1.573 1.017 0.276 + 162SOL OW 2057 1.187 1.792 1.616 + 162SOL HW1 2058 1.211 1.852 1.540 + 162SOL HW2 2059 1.194 1.697 1.586 + 163SOL OW 2060 1.466 1.417 0.953 + 163SOL HW1 2061 1.407 1.423 1.033 + 163SOL HW2 2062 1.451 1.329 0.907 + 164SOL OW 2063 1.667 1.714 0.572 + 164SOL HW1 2064 1.626 1.691 0.484 + 164SOL HW2 2065 1.649 1.640 0.637 + 165SOL OW 2066 0.598 0.729 0.270 + 165SOL HW1 2067 0.622 0.798 0.202 + 165SOL HW2 2068 0.520 0.762 0.324 + 166SOL OW 2069 1.281 0.345 0.944 + 166SOL HW1 2070 1.195 0.295 0.931 + 166SOL HW2 2071 1.343 0.291 1.000 + 167SOL OW 2072 1.576 1.662 0.307 + 167SOL HW1 2073 1.665 1.708 0.310 + 167SOL HW2 2074 1.555 1.638 0.212 + 168SOL OW 2075 0.807 0.605 1.465 + 168SOL HW1 2076 0.760 0.602 1.554 + 168SOL HW2 2077 0.756 0.550 1.399 + 169SOL OW 2078 1.394 0.469 1.674 + 169SOL HW1 2079 1.374 0.512 1.762 + 169SOL HW2 2080 1.472 0.407 1.683 + 170SOL OW 2081 0.973 0.890 1.572 + 170SOL HW1 2082 1.019 0.806 1.543 + 170SOL HW2 2083 0.917 0.924 1.497 + 171SOL OW 2084 0.991 0.410 1.242 + 171SOL HW1 2085 0.914 0.444 1.296 + 171SOL HW2 2086 0.957 0.359 1.163 + 172SOL OW 2087 1.041 0.701 0.429 + 172SOL HW1 2088 1.067 0.697 0.525 + 172SOL HW2 2089 0.956 0.650 0.415 + 173SOL OW 2090 0.076 0.811 0.789 + 173SOL HW1 2091 0.175 0.799 0.798 + 173SOL HW2 2092 0.052 0.906 0.810 + 174SOL OW 2093 0.130 1.821 1.571 + 174SOL HW1 2094 0.120 1.806 1.670 + 174SOL HW2 2095 0.044 1.857 1.535 + 175SOL OW 2096 0.865 0.348 0.195 + 175SOL HW1 2097 0.924 0.411 0.146 + 175SOL HW2 2098 0.884 0.254 0.166 + 176SOL OW 2099 1.719 0.585 1.831 + 176SOL HW1 2100 1.693 0.674 1.795 + 176SOL HW2 2101 1.717 0.517 1.758 + 177SOL OW 2102 1.362 1.144 0.545 + 177SOL HW1 2103 1.445 1.115 0.497 + 177SOL HW2 2104 1.313 1.211 0.489 + 178SOL OW 2105 0.550 0.196 0.885 + 178SOL HW1 2106 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HW1 6393 0.077 4.279 2.442 + 1607SOL HW2 6394 0.121 4.421 2.509 + 1608SOL OW 6395 1.842 5.491 2.221 + 1608SOL HW1 6396 1.896 5.462 2.301 + 1608SOL HW2 6397 1.872 5.581 2.192 + 1609SOL OW 6398 0.027 5.320 1.979 + 1609SOL HW1 6399 0.008 5.224 2.000 + 1609SOL HW2 6400 -0.006 5.378 2.054 + 1610SOL OW 6401 1.689 4.646 2.474 + 1610SOL HW1 6402 1.784 4.617 2.482 + 1610SOL HW2 6403 1.681 4.711 2.399 + 1611SOL OW 6404 1.641 4.832 2.294 + 1611SOL HW1 6405 1.727 4.834 2.242 + 1611SOL HW2 6406 1.655 4.879 2.382 + 1612SOL OW 6407 0.113 4.461 3.459 + 1612SOL HW1 6408 0.201 4.448 3.504 + 1612SOL HW2 6409 0.100 4.558 3.437 + 1613SOL OW 6410 0.613 5.089 2.588 + 1613SOL HW1 6411 0.564 5.002 2.597 + 1613SOL HW2 6412 0.590 5.132 2.501 + 1614SOL OW 6413 1.293 4.952 3.285 + 1614SOL HW1 6414 1.330 4.879 3.227 + 1614SOL HW2 6415 1.345 4.957 3.370 + 1615SOL OW 6416 0.809 3.728 2.364 + 1615SOL HW1 6417 0.849 3.819 2.355 + 1615SOL HW2 6418 0.709 3.736 2.370 + 1616SOL OW 6419 0.197 4.700 3.126 + 1616SOL HW1 6420 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6665 0.504 3.774 3.602 + 1698SOL HW1 6666 0.462 3.717 3.532 + 1698SOL HW2 6667 0.438 3.843 3.634 + 1699SOL OW 6668 0.573 4.594 2.891 + 1699SOL HW1 6669 0.617 4.683 2.882 + 1699SOL HW2 6670 0.510 4.594 2.968 + 1700SOL OW 6671 1.360 4.586 2.907 + 1700SOL HW1 6672 1.285 4.586 2.841 + 1700SOL HW2 6673 1.397 4.494 2.916 + 1701SOL OW 6674 1.209 4.249 2.137 + 1701SOL HW1 6675 1.222 4.165 2.191 + 1701SOL HW2 6676 1.180 4.323 2.197 + 1702SOL OW 6677 0.307 3.937 3.093 + 1702SOL HW1 6678 0.284 3.974 3.183 + 1702SOL HW2 6679 0.277 3.842 3.087 + 1703SOL OW 6680 0.037 5.034 3.144 + 1703SOL HW1 6681 0.090 4.985 3.212 + 1703SOL HW2 6682 0.059 5.132 3.149 + 1704SOL OW 6683 0.732 4.358 2.926 + 1704SOL HW1 6684 0.791 4.332 2.850 + 1704SOL HW2 6685 0.704 4.454 2.915 + 1705SOL OW 6686 1.728 4.659 3.716 + 1705SOL HW1 6687 1.682 4.652 3.627 + 1705SOL HW2 6688 1.666 4.703 3.782 + 1706SOL OW 6689 0.307 3.787 2.480 + 1706SOL HW1 6690 0.296 3.881 2.513 + 1706SOL HW2 6691 0.302 3.724 2.557 + 1707SOL OW 6692 1.622 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1725SOL HW1 6747 1.408 4.763 3.542 + 1725SOL HW2 6748 1.379 4.654 3.425 + 1726SOL OW 6749 0.815 4.296 2.187 + 1726SOL HW1 6750 0.822 4.207 2.141 + 1726SOL HW2 6751 0.721 4.330 2.179 + 1727SOL OW 6752 1.657 4.328 3.068 + 1727SOL HW1 6753 1.619 4.259 3.130 + 1727SOL HW2 6754 1.739 4.292 3.024 + 1728SOL OW 6755 0.252 5.288 3.606 + 1728SOL HW1 6756 0.222 5.345 3.682 + 1728SOL HW2 6757 0.245 5.191 3.632 + 1729SOL OW 6758 0.671 4.188 3.131 + 1729SOL HW1 6759 0.637 4.099 3.101 + 1729SOL HW2 6760 0.697 4.242 3.051 + 1730SOL OW 6761 0.930 5.402 3.327 + 1730SOL HW1 6762 0.906 5.384 3.232 + 1730SOL HW2 6763 0.960 5.496 3.337 + 1731SOL OW 6764 0.473 4.224 2.053 + 1731SOL HW1 6765 0.534 4.304 2.057 + 1731SOL HW2 6766 0.378 4.255 2.060 + 1732SOL OW 6767 0.159 4.861 3.328 + 1732SOL HW1 6768 0.181 4.800 3.404 + 1732SOL HW2 6769 0.169 4.812 3.242 + 1733SOL OW 6770 1.347 4.783 3.096 + 1733SOL HW1 6771 1.371 4.720 3.022 + 1733SOL HW2 6772 1.257 4.823 3.078 + 1734SOL OW 6773 1.302 4.579 2.171 + 1734SOL HW1 6774 1.216 4.548 2.213 + 1734SOL HW2 6775 1.298 4.565 2.072 + 1735SOL OW 6776 1.759 5.471 3.016 + 1735SOL HW1 6777 1.820 5.501 2.943 + 1735SOL HW2 6778 1.721 5.382 2.994 + 1736SOL OW 6779 1.252 5.455 2.990 + 1736SOL HW1 6780 1.336 5.460 2.936 + 1736SOL HW2 6781 1.229 5.359 3.008 + 1737SOL OW 6782 0.083 4.982 2.884 + 1737SOL HW1 6783 0.078 4.981 2.984 + 1737SOL HW2 6784 0.000 4.941 2.846 + 1738SOL OW 6785 0.688 5.386 3.578 + 1738SOL HW1 6786 0.632 5.467 3.587 + 1738SOL HW2 6787 0.740 5.390 3.492 + 1739SOL OW 6788 1.726 3.859 2.385 + 1739SOL HW1 6789 1.799 3.842 2.318 + 1739SOL HW2 6790 1.695 3.772 2.423 + 1740SOL OW 6791 1.388 5.297 2.339 + 1740SOL HW1 6792 1.455 5.309 2.265 + 1740SOL HW2 6793 1.348 5.386 2.362 + 1741SOL OW 6794 0.130 5.518 3.713 + 1741SOL HW1 6795 0.089 5.444 3.766 + 1741SOL HW2 6796 0.194 5.569 3.771 + 1742SOL OW 6797 1.280 4.651 2.534 + 1742SOL HW1 6798 1.340 4.570 2.536 + 1742SOL HW2 6799 1.320 4.720 2.474 + 1743SOL OW 6800 0.830 4.997 3.284 + 1743SOL HW1 6801 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5.451 + 1852SOL HW1 7128 0.411 4.991 5.365 + 1852SOL HW2 7129 0.398 4.972 5.527 + 1853SOL OW 7130 1.111 5.500 3.961 + 1853SOL HW1 7131 1.051 5.438 4.011 + 1853SOL HW2 7132 1.142 5.456 3.876 + 1854SOL OW 7133 0.202 4.009 5.222 + 1854SOL HW1 7134 0.122 4.069 5.209 + 1854SOL HW2 7135 0.192 3.960 5.308 + 1855SOL OW 7136 1.632 5.101 3.805 + 1855SOL HW1 7137 1.600 5.195 3.795 + 1855SOL HW2 7138 1.556 5.038 3.793 + 1856SOL OW 7139 0.464 5.467 4.047 + 1856SOL HW1 7140 0.497 5.506 4.133 + 1856SOL HW2 7141 0.540 5.460 3.982 + 1857SOL OW 7142 1.400 3.831 4.150 + 1857SOL HW1 7143 1.376 3.794 4.060 + 1857SOL HW2 7144 1.499 3.847 4.154 + 1858SOL OW 7145 0.249 5.509 4.965 + 1858SOL HW1 7146 0.306 5.444 5.015 + 1858SOL HW2 7147 0.233 5.476 4.872 + 1859SOL OW 7148 0.940 5.422 4.628 + 1859SOL HW1 7149 1.020 5.365 4.649 + 1859SOL HW2 7150 0.891 5.382 4.551 + 1860SOL OW 7151 0.382 4.424 4.204 + 1860SOL HW1 7152 0.427 4.334 4.201 + 1860SOL HW2 7153 0.288 4.413 4.237 + 1861SOL OW 7154 1.547 3.946 5.453 + 1861SOL HW1 7155 1.542 3.983 5.545 + 1861SOL HW2 7156 1.475 3.877 5.441 + 1862SOL OW 7157 0.614 3.846 3.841 + 1862SOL HW1 7158 0.712 3.824 3.848 + 1862SOL HW2 7159 0.583 3.829 3.748 + 1863SOL OW 7160 0.781 3.988 5.473 + 1863SOL HW1 7161 0.848 3.927 5.516 + 1863SOL HW2 7162 0.708 4.007 5.538 + 1864SOL OW 7163 0.888 5.238 4.919 + 1864SOL HW1 7164 0.865 5.213 4.825 + 1864SOL HW2 7165 0.949 5.169 4.958 + 1865SOL OW 7166 1.351 4.314 5.157 + 1865SOL HW1 7167 1.379 4.271 5.242 + 1865SOL HW2 7168 1.376 4.410 5.158 + 1866SOL OW 7169 0.803 5.126 4.648 + 1866SOL HW1 7170 0.893 5.140 4.606 + 1866SOL HW2 7171 0.732 5.128 4.577 + 1867SOL OW 7172 0.922 4.227 4.623 + 1867SOL HW1 7173 0.897 4.218 4.527 + 1867SOL HW2 7174 0.970 4.145 4.654 + 1868SOL OW 7175 0.539 3.788 4.236 + 1868SOL HW1 7176 0.458 3.789 4.294 + 1868SOL HW2 7177 0.542 3.871 4.181 + 1869SOL OW 7178 1.434 4.912 3.765 + 1869SOL HW1 7179 1.466 4.836 3.822 + 1869SOL HW2 7180 1.342 4.939 3.795 + 1870SOL OW 7181 0.297 3.759 3.895 + 1870SOL HW1 7182 0.346 3.843 3.874 + 1870SOL HW2 7183 0.359 3.694 3.940 + 1871SOL OW 7184 0.935 3.960 4.204 + 1871SOL HW1 7185 0.887 4.001 4.126 + 1871SOL HW2 7186 1.034 3.958 4.185 + 1872SOL OW 7187 1.076 4.407 5.188 + 1872SOL HW1 7188 0.996 4.346 5.191 + 1872SOL HW2 7189 1.157 4.354 5.164 + 1873SOL OW 7190 1.227 5.294 4.517 + 1873SOL HW1 7191 1.248 5.368 4.452 + 1873SOL HW2 7192 1.295 5.294 4.590 + 1874SOL OW 7193 0.459 4.876 4.465 + 1874SOL HW1 7194 0.388 4.849 4.530 + 1874SOL HW2 7195 0.433 4.848 4.372 + 1875SOL OW 7196 1.271 5.521 4.315 + 1875SOL HW1 7197 1.315 5.585 4.251 + 1875SOL HW2 7198 1.221 5.573 4.385 + 1876SOL OW 7199 1.032 4.273 3.740 + 1876SOL HW1 7200 0.991 4.355 3.701 + 1876SOL HW2 7201 1.096 4.299 3.813 + 1877SOL OW 7202 0.078 4.280 5.110 + 1877SOL HW1 7203 0.170 4.279 5.069 + 1877SOL HW2 7204 0.072 4.354 5.177 + 1878SOL OW 7205 0.561 3.946 4.871 + 1878SOL HW1 7206 0.599 3.862 4.908 + 1878SOL HW2 7207 0.473 3.965 4.915 + 1879SOL OW 7208 0.866 4.178 4.366 + 1879SOL HW1 7209 0.834 4.250 4.304 + 1879SOL HW2 7210 0.890 4.097 4.313 + 1880SOL OW 7211 1.017 3.763 4.477 + 1880SOL HW1 7212 0.945 3.768 4.408 + 1880SOL HW2 7213 0.993 3.694 4.546 + 1881SOL OW 7214 1.429 4.897 4.591 + 1881SOL HW1 7215 1.374 4.813 4.584 + 1881SOL HW2 7216 1.455 4.926 4.499 + 1882SOL OW 7217 1.466 4.314 4.716 + 1882SOL HW1 7218 1.436 4.219 4.723 + 1882SOL HW2 7219 1.539 4.330 4.782 + 1883SOL OW 7220 1.857 4.557 4.101 + 1883SOL HW1 7221 1.899 4.493 4.165 + 1883SOL HW2 7222 1.819 4.506 4.023 + 1884SOL OW 7223 0.488 5.109 3.898 + 1884SOL HW1 7224 0.401 5.094 3.945 + 1884SOL HW2 7225 0.471 5.135 3.803 + 1885SOL OW 7226 1.664 5.004 4.381 + 1885SOL HW1 7227 1.763 5.012 4.395 + 1885SOL HW2 7228 1.619 5.088 4.412 + 1886SOL OW 7229 1.390 4.299 3.802 + 1886SOL HW1 7230 1.336 4.278 3.883 + 1886SOL HW2 7231 1.481 4.258 3.811 + 1887SOL OW 7232 0.527 3.980 4.052 + 1887SOL HW1 7233 0.554 3.921 3.977 + 1887SOL HW2 7234 0.527 4.075 4.021 + 1888SOL OW 7235 1.754 4.947 5.312 + 1888SOL HW1 7236 1.845 4.908 5.299 + 1888SOL HW2 7237 1.762 5.043 5.336 + 1889SOL OW 7238 1.064 5.071 5.064 + 1889SOL HW1 7239 0.984 5.048 5.119 + 1889SOL HW2 7240 1.147 5.045 5.113 + 1890SOL OW 7241 1.592 5.353 5.349 + 1890SOL HW1 7242 1.619 5.387 5.259 + 1890SOL HW2 7243 1.671 5.315 5.395 + 1891SOL OW 7244 1.111 4.919 4.824 + 1891SOL HW1 7245 1.071 4.963 4.905 + 1891SOL HW2 7246 1.070 4.956 4.741 + 1892SOL OW 7247 1.638 4.823 4.803 + 1892SOL HW1 7248 1.643 4.904 4.862 + 1892SOL HW2 7249 1.552 4.825 4.752 + 1893SOL OW 7250 0.915 3.813 5.126 + 1893SOL HW1 7251 0.940 3.793 5.031 + 1893SOL HW2 7252 0.987 3.869 5.168 + 1894SOL OW 7253 0.980 4.840 5.443 + 1894SOL HW1 7254 0.881 4.846 5.453 + 1894SOL HW2 7255 1.003 4.760 5.387 + 1895SOL OW 7256 0.705 4.774 4.092 + 1895SOL HW1 7257 0.691 4.781 4.191 + 1895SOL HW2 7258 0.789 4.723 4.074 + 1896SOL OW 7259 0.410 4.537 4.975 + 1896SOL HW1 7260 0.496 4.549 5.025 + 1896SOL HW2 7261 0.368 4.450 5.002 + 1897SOL OW 7262 1.274 4.110 4.986 + 1897SOL HW1 7263 1.295 4.184 5.050 + 1897SOL HW2 7264 1.185 4.127 4.943 + 1898SOL OW 7265 0.064 5.288 5.055 + 1898SOL HW1 7266 0.018 5.370 5.021 + 1898SOL HW2 7267 0.162 5.307 5.064 + 1899SOL OW 7268 0.367 4.824 4.225 + 1899SOL HW1 7269 0.360 4.907 4.169 + 1899SOL HW2 7270 0.371 4.744 4.165 + 1900SOL OW 7271 0.566 4.261 4.589 + 1900SOL HW1 7272 0.578 4.327 4.515 + 1900SOL HW2 7273 0.612 4.295 4.672 + 1901SOL OW 7274 1.252 5.072 4.112 + 1901SOL HW1 7275 1.302 5.149 4.152 + 1901SOL HW2 7276 1.157 5.074 4.144 + 1902SOL OW 7277 1.272 5.169 4.866 + 1902SOL HW1 7278 1.319 5.182 4.953 + 1902SOL HW2 7279 1.206 5.095 4.875 + 1903SOL OW 7280 1.582 4.363 4.196 + 1903SOL HW1 7281 1.551 4.424 4.269 + 1903SOL HW2 7282 1.632 4.415 4.127 + 1904SOL OW 7283 0.354 5.234 5.053 + 1904SOL HW1 7284 0.333 5.190 4.966 + 1904SOL HW2 7285 0.451 5.260 5.056 + 1905SOL OW 7286 0.402 4.475 5.322 + 1905SOL HW1 7287 0.470 4.530 5.275 + 1905SOL HW2 7288 0.442 4.387 5.349 + 1906SOL OW 7289 1.587 4.503 5.394 + 1906SOL HW1 7290 1.495 4.541 5.389 + 1906SOL HW2 7291 1.647 4.550 5.329 + 1907SOL OW 7292 1.013 3.829 5.494 + 1907SOL HW1 7293 1.019 3.914 5.442 + 1907SOL HW2 7294 1.045 3.753 5.437 + 1908SOL OW 7295 0.504 3.774 5.464 + 1908SOL HW1 7296 0.462 3.717 5.394 + 1908SOL HW2 7297 0.438 3.843 5.496 + 1909SOL OW 7298 0.573 4.594 4.753 + 1909SOL HW1 7299 0.617 4.683 4.744 + 1909SOL HW2 7300 0.510 4.594 4.830 + 1910SOL OW 7301 1.360 4.586 4.769 + 1910SOL HW1 7302 1.285 4.586 4.703 + 1910SOL HW2 7303 1.397 4.494 4.778 + 1911SOL OW 7304 1.209 4.249 3.999 + 1911SOL HW1 7305 1.222 4.165 4.053 + 1911SOL HW2 7306 1.180 4.323 4.059 + 1912SOL OW 7307 0.307 3.937 4.955 + 1912SOL HW1 7308 0.284 3.974 5.045 + 1912SOL HW2 7309 0.277 3.842 4.949 + 1913SOL OW 7310 0.037 5.034 5.006 + 1913SOL HW1 7311 0.090 4.985 5.074 + 1913SOL HW2 7312 0.059 5.132 5.011 + 1914SOL OW 7313 0.732 4.358 4.788 + 1914SOL HW1 7314 0.791 4.332 4.712 + 1914SOL HW2 7315 0.704 4.454 4.777 + 1915SOL OW 7316 1.728 4.659 5.578 + 1915SOL HW1 7317 1.682 4.652 5.489 + 1915SOL HW2 7318 1.666 4.703 5.644 + 1916SOL OW 7319 0.307 3.787 4.342 + 1916SOL HW1 7320 0.296 3.881 4.375 + 1916SOL HW2 7321 0.302 3.724 4.419 + 1917SOL OW 7322 1.622 4.091 4.098 + 1917SOL HW1 7323 1.624 4.015 4.162 + 1917SOL HW2 7324 1.574 4.168 4.138 + 1918SOL OW 7325 1.023 4.490 4.690 + 1918SOL HW1 7326 1.038 4.511 4.786 + 1918SOL HW2 7327 0.993 4.395 4.681 + 1919SOL OW 7328 0.980 5.297 5.424 + 1919SOL HW1 7329 0.960 5.341 5.336 + 1919SOL HW2 7330 1.019 5.206 5.408 + 1920SOL OW 7331 1.859 5.242 5.329 + 1920SOL HW1 7332 1.873 5.269 5.234 + 1920SOL HW2 7333 1.942 5.264 5.382 + 1921SOL OW 7334 0.350 4.622 5.528 + 1921SOL HW1 7335 0.426 4.666 5.576 + 1921SOL HW2 7336 0.385 4.575 5.446 + 1922SOL OW 7337 1.540 3.998 3.849 + 1922SOL HW1 7338 1.479 3.923 3.872 + 1922SOL HW2 7339 1.562 4.050 3.932 + 1923SOL OW 7340 1.303 4.562 3.766 + 1923SOL HW1 7341 1.337 4.469 3.781 + 1923SOL HW2 7342 1.321 4.589 3.671 + 1924SOL OW 7343 1.068 5.057 4.573 + 1924SOL HW1 7344 1.075 4.973 4.518 + 1924SOL HW2 7345 1.130 5.126 4.537 + 1925SOL OW 7346 0.319 4.534 4.673 + 1925SOL HW1 7347 0.412 4.570 4.678 + 1925SOL HW2 7348 0.313 4.449 4.725 + 1926SOL OW 7349 0.339 4.233 4.730 + 1926SOL HW1 7350 0.287 4.150 4.713 + 1926SOL HW2 7351 0.416 4.238 4.666 + 1927SOL OW 7352 1.138 4.104 5.402 + 1927SOL HW1 7353 1.093 4.167 5.466 + 1927SOL HW2 7354 1.231 4.135 5.385 + 1928SOL OW 7355 1.160 3.931 5.201 + 1928SOL HW1 7356 1.160 3.995 5.278 + 1928SOL HW2 7357 1.188 3.979 5.118 + 1929SOL OW 7358 0.008 5.050 3.924 + 1929SOL HW1 7359 -0.085 5.071 3.893 + 1929SOL HW2 7360 0.018 4.951 3.937 + 1930SOL OW 7361 0.088 5.525 4.651 + 1930SOL HW1 7362 0.046 5.439 4.624 + 1930SOL HW2 7363 0.182 5.528 4.617 + 1931SOL OW 7364 0.504 5.292 4.634 + 1931SOL HW1 7365 0.570 5.366 4.643 + 1931SOL HW2 7366 0.548 5.213 4.592 + 1932SOL OW 7367 1.002 4.520 4.962 + 1932SOL HW1 7368 1.043 4.488 5.048 + 1932SOL HW2 7369 0.906 4.493 4.959 + 1933SOL OW 7370 0.040 4.268 4.838 + 1933SOL HW1 7371 0.125 4.235 4.797 + 1933SOL HW2 7372 0.053 4.283 4.936 + 1934SOL OW 7373 0.189 4.244 5.446 + 1934SOL HW1 7374 0.248 4.204 5.376 + 1934SOL HW2 7375 0.131 4.315 5.405 + 1935SOL OW 7376 1.369 4.674 5.384 + 1935SOL HW1 7377 1.408 4.763 5.404 + 1935SOL HW2 7378 1.379 4.654 5.287 + 1936SOL OW 7379 0.815 4.296 4.049 + 1936SOL HW1 7380 0.822 4.207 4.003 + 1936SOL HW2 7381 0.721 4.330 4.041 + 1937SOL OW 7382 1.657 4.328 4.930 + 1937SOL HW1 7383 1.619 4.259 4.992 + 1937SOL HW2 7384 1.739 4.292 4.886 + 1938SOL OW 7385 0.252 5.288 5.468 + 1938SOL HW1 7386 0.222 5.345 5.544 + 1938SOL HW2 7387 0.245 5.191 5.494 + 1939SOL OW 7388 0.671 4.188 4.993 + 1939SOL HW1 7389 0.637 4.099 4.963 + 1939SOL HW2 7390 0.697 4.242 4.913 + 1940SOL OW 7391 0.930 5.402 5.189 + 1940SOL HW1 7392 0.906 5.384 5.094 + 1940SOL HW2 7393 0.960 5.496 5.199 + 1941SOL OW 7394 0.473 4.224 3.915 + 1941SOL HW1 7395 0.534 4.304 3.919 + 1941SOL HW2 7396 0.378 4.255 3.922 + 1942SOL OW 7397 0.159 4.861 5.190 + 1942SOL HW1 7398 0.181 4.800 5.266 + 1942SOL HW2 7399 0.169 4.812 5.104 + 1943SOL OW 7400 1.347 4.783 4.958 + 1943SOL HW1 7401 1.371 4.720 4.884 + 1943SOL HW2 7402 1.257 4.823 4.940 + 1944SOL OW 7403 1.302 4.579 4.033 + 1944SOL HW1 7404 1.216 4.548 4.075 + 1944SOL HW2 7405 1.298 4.565 3.934 + 1945SOL OW 7406 1.759 5.471 4.878 + 1945SOL HW1 7407 1.820 5.501 4.805 + 1945SOL HW2 7408 1.721 5.382 4.856 + 1946SOL OW 7409 1.252 5.455 4.852 + 1946SOL HW1 7410 1.336 5.460 4.798 + 1946SOL HW2 7411 1.229 5.359 4.870 + 1947SOL OW 7412 0.083 4.982 4.746 + 1947SOL HW1 7413 0.078 4.981 4.846 + 1947SOL HW2 7414 0.000 4.941 4.708 + 1948SOL OW 7415 0.688 5.386 5.440 + 1948SOL HW1 7416 0.632 5.467 5.449 + 1948SOL HW2 7417 0.740 5.390 5.354 + 1949SOL OW 7418 1.726 3.859 4.247 + 1949SOL HW1 7419 1.799 3.842 4.180 + 1949SOL HW2 7420 1.695 3.772 4.285 + 1950SOL OW 7421 1.388 5.297 4.201 + 1950SOL HW1 7422 1.455 5.309 4.127 + 1950SOL HW2 7423 1.348 5.386 4.224 + 1951SOL OW 7424 0.130 5.518 5.575 + 1951SOL HW1 7425 0.089 5.444 5.628 + 1951SOL HW2 7426 0.194 5.569 5.633 + 1952SOL OW 7427 1.280 4.651 4.396 + 1952SOL HW1 7428 1.340 4.570 4.398 + 1952SOL HW2 7429 1.320 4.720 4.336 + 1953SOL OW 7430 0.830 4.997 5.146 + 1953SOL HW1 7431 0.825 5.030 5.241 + 1953SOL HW2 7432 0.744 5.016 5.100 + 1954SOL OW 7433 0.672 5.340 3.878 + 1954SOL HW1 7434 0.681 5.350 3.779 + 1954SOL HW2 7435 0.632 5.251 3.899 + 1955SOL OW 7436 1.650 5.444 5.118 + 1955SOL HW1 7437 1.703 5.454 5.034 + 1955SOL HW2 7438 1.623 5.534 5.152 + 1956SOL OW 7439 1.841 3.899 4.687 + 1956SOL HW1 7440 1.880 3.814 4.651 + 1956SOL HW2 7441 1.743 3.901 4.668 + 1957SOL OW 7442 0.263 4.050 4.444 + 1957SOL HW1 7443 0.184 4.101 4.410 + 1957SOL HW2 7444 0.254 4.035 4.542 + 1958SOL OW 7445 1.194 5.336 3.755 + 1958SOL HW1 7446 1.200 5.243 3.792 + 1958SOL HW2 7447 1.135 5.336 3.675 + 1959SOL OW 7448 0.822 4.726 5.096 + 1959SOL HW1 7449 0.862 4.725 5.004 + 1959SOL HW2 7450 0.832 4.818 5.136 + 1960SOL OW 7451 0.916 4.634 4.015 + 1960SOL HW1 7452 0.979 4.672 3.947 + 1960SOL HW2 7453 0.956 4.551 4.054 + 1961SOL OW 7454 1.504 5.331 3.768 + 1961SOL HW1 7455 1.412 5.368 3.775 + 1961SOL HW2 7456 1.542 5.351 3.678 + 1962SOL OW 7457 0.372 5.012 5.214 + 1962SOL HW1 7458 0.359 5.105 5.180 + 1962SOL HW2 7459 0.288 4.960 5.201 + 1963SOL OW 7460 1.614 5.016 5.013 + 1963SOL HW1 7461 1.674 5.019 5.093 + 1963SOL HW2 7462 1.539 5.080 5.026 + 1964SOL OW 7463 1.039 4.822 4.420 + 1964SOL HW1 7464 0.969 4.775 4.474 + 1964SOL HW2 7465 1.098 4.754 4.377 + 1965SOL OW 7466 1.014 3.960 4.695 + 1965SOL HW1 7467 1.006 3.924 4.602 + 1965SOL HW2 7468 1.012 3.884 4.760 + 1966SOL OW 7469 0.590 5.211 4.215 + 1966SOL HW1 7470 0.632 5.153 4.145 + 1966SOL HW2 7471 0.546 5.290 4.171 + 1967SOL OW 7472 1.709 4.109 5.105 + 1967SOL HW1 7473 1.782 4.178 5.109 + 1967SOL HW2 7474 1.737 4.034 5.046 + 1968SOL OW 7475 0.255 5.072 4.014 + 1968SOL HW1 7476 0.159 5.073 3.987 + 1968SOL HW2 7477 0.267 5.125 4.098 + 1969SOL OW 7478 0.105 4.737 5.450 + 1969SOL HW1 7479 0.028 4.704 5.504 + 1969SOL HW2 7480 0.190 4.707 5.492 + 1970SOL OW 7481 0.672 3.927 5.213 + 1970SOL HW1 7482 0.762 3.911 5.173 + 1970SOL HW2 7483 0.680 3.932 5.312 + 1971SOL OW 7484 0.075 4.069 3.757 + 1971SOL HW1 7485 -0.017 4.041 3.728 + 1971SOL HW2 7486 0.106 4.146 3.701 + 1972SOL OW 7487 1.440 4.580 5.122 + 1972SOL HW1 7488 1.383 4.632 5.059 + 1972SOL HW2 7489 1.536 4.592 5.098 + 1973SOL OW 7490 0.072 3.890 4.042 + 1973SOL HW1 7491 0.055 3.973 3.988 + 1973SOL HW2 7492 0.162 3.853 4.020 + 1974SOL OW 7493 1.183 5.059 3.843 + 1974SOL HW1 7494 1.084 5.048 3.845 + 1974SOL HW2 7495 1.217 5.074 3.936 + 1975SOL OW 7496 0.613 4.566 5.155 + 1975SOL HW1 7497 0.669 4.647 5.138 + 1975SOL HW2 7498 0.672 4.486 5.158 + 1976SOL OW 7499 1.493 5.491 4.683 + 1976SOL HW1 7500 1.526 5.555 4.614 + 1976SOL HW2 7501 1.559 5.485 4.758 + 1977SOL OW 7502 0.716 4.289 5.432 + 1977SOL HW1 7503 0.735 4.354 5.506 + 1977SOL HW2 7504 0.776 4.209 5.441 + 1978SOL OW 7505 1.450 4.944 5.357 + 1978SOL HW1 7506 1.441 4.934 5.456 + 1978SOL HW2 7507 1.546 4.937 5.331 + 1979SOL OW 7508 0.390 5.465 5.284 + 1979SOL HW1 7509 0.299 5.506 5.282 + 1979SOL HW2 7510 0.383 5.371 5.316 + 1980SOL OW 7511 1.674 4.607 4.978 + 1980SOL HW1 7512 1.647 4.518 4.941 + 1980SOL HW2 7513 1.675 4.675 4.905 + 1981SOL OW 7514 1.225 4.049 4.173 + 1981SOL HW1 7515 1.290 3.975 4.162 + 1981SOL HW2 7516 1.245 4.099 4.257 + 1982SOL OW 7517 0.594 4.469 4.376 + 1982SOL HW1 7518 0.644 4.554 4.357 + 1982SOL HW2 7519 0.506 4.471 4.328 + 1983SOL OW 7520 1.777 4.066 5.366 + 1983SOL HW1 7521 1.760 4.097 5.272 + 1983SOL HW2 7522 1.693 4.029 5.404 + 1984SOL OW 7523 1.730 4.658 5.241 + 1984SOL HW1 7524 1.768 4.749 5.256 + 1984SOL HW2 7525 1.722 4.641 5.142 + 1985SOL OW 7526 0.859 5.098 3.740 + 1985SOL HW1 7527 0.813 5.113 3.828 + 1985SOL HW2 7528 0.903 5.183 3.710 + 1986SOL OW 7529 0.661 5.514 4.677 + 1986SOL HW1 7530 0.615 5.602 4.664 + 1986SOL HW2 7531 0.760 5.526 4.670 + 1987SOL OW 7532 0.859 4.680 4.585 + 1987SOL HW1 7533 0.913 4.611 4.633 + 1987SOL HW2 7534 0.827 4.749 4.651 + 1988SOL OW 7535 1.083 4.708 3.811 + 1988SOL HW1 7536 1.060 4.761 3.729 + 1988SOL HW2 7537 1.164 4.652 3.792 + 1989SOL OW 7538 1.861 5.293 4.575 + 1989SOL HW1 7539 1.790 5.281 4.505 + 1989SOL HW2 7540 1.862 5.214 4.635 + 1990SOL OW 7541 0.221 5.038 5.568 + 1990SOL HW1 7542 0.156 4.965 5.547 + 1990SOL HW2 7543 0.225 5.052 5.666 + 1991SOL OW 7544 0.079 4.964 4.377 + 1991SOL HW1 7545 0.078 4.917 4.465 + 1991SOL HW2 7546 0.161 4.936 4.326 + 1992SOL OW 7547 0.672 5.115 5.348 + 1992SOL HW1 7548 0.594 5.065 5.386 + 1992SOL HW2 7549 0.669 5.210 5.379 + 1993SOL OW 7550 1.824 3.916 4.951 + 1993SOL HW1 7551 1.820 3.826 4.995 + 1993SOL HW2 7552 1.827 3.905 4.852 + 1994SOL OW 7553 0.428 4.148 4.244 + 1994SOL HW1 7554 0.458 4.076 4.182 + 1994SOL HW2 7555 0.389 4.108 4.327 + 1995SOL OW 7556 1.705 5.211 4.828 + 1995SOL HW1 7557 1.612 5.186 4.801 + 1995SOL HW2 7558 1.731 5.161 4.910 + 1996SOL OW 7559 0.317 4.271 5.004 + 1996SOL HW1 7560 0.355 4.212 5.076 + 1996SOL HW2 7561 0.357 4.245 4.916 + 1997SOL OW 7562 0.812 5.310 4.411 + 1997SOL HW1 7563 0.844 5.320 4.317 + 1997SOL HW2 7564 0.733 5.248 4.413 + 1998SOL OW 7565 1.424 3.938 4.836 + 1998SOL HW1 7566 1.476 3.873 4.891 + 1998SOL HW2 7567 1.375 4.001 4.897 + 1999SOL OW 7568 1.001 3.758 4.878 + 1999SOL HW1 7569 0.938 3.686 4.847 + 1999SOL HW2 7570 1.094 3.722 4.878 + 2000SOL OW 7571 0.770 5.054 4.025 + 2000SOL HW1 7572 0.724 4.967 4.042 + 2000SOL HW2 7573 0.861 5.051 4.066 + 2001SOL OW 7574 0.618 5.291 5.008 + 2001SOL HW1 7575 0.613 5.373 5.065 + 2001SOL HW2 7576 0.707 5.288 4.963 + 2002SOL OW 7577 1.352 3.776 3.892 + 2002SOL HW1 7578 1.387 3.735 3.808 + 2002SOL HW2 7579 1.262 3.738 3.912 + 2003SOL OW 7580 1.300 4.177 4.415 + 2003SOL HW1 7581 1.241 4.257 4.419 + 2003SOL HW2 7582 1.315 4.142 4.508 + 2004SOL OW 7583 1.593 3.945 4.606 + 2004SOL HW1 7584 1.509 3.944 4.660 + 2004SOL HW2 7585 1.595 4.028 4.550 + 2005SOL OW 7586 0.039 4.801 4.024 + 2005SOL HW1 7587 0.138 4.790 4.015 + 2005SOL HW2 7588 -0.001 4.715 4.056 + 2006SOL OW 7589 0.875 5.370 4.061 + 2006SOL HW1 7590 0.798 5.335 4.007 + 2006SOL HW2 7591 0.843 5.441 4.123 + 2007SOL OW 7592 0.230 6.214 0.113 + 2007SOL HW1 7593 0.137 6.212 0.150 + 2007SOL HW2 7594 0.231 6.175 0.021 + 2008SOL OW 7595 0.225 5.861 0.996 + 2008SOL HW1 7596 0.260 5.844 1.088 + 2008SOL HW2 7597 0.137 5.816 0.984 + 2009SOL OW 7598 0.019 5.954 0.647 + 2009SOL HW1 7599 -0.063 5.997 0.686 + 2009SOL HW2 7600 -0.009 5.881 0.584 + 2010SOL OW 7601 1.135 6.289 0.717 + 2010SOL HW1 7602 1.192 6.367 0.692 + 2010SOL HW2 7603 1.075 6.315 0.793 + 2011SOL OW 7604 1.755 6.193 0.231 + 2011SOL HW1 7605 1.743 6.180 0.132 + 2011SOL HW2 7606 1.725 6.112 0.280 + 2012SOL OW 7607 0.850 6.384 1.823 + 2012SOL HW1 7608 0.846 6.460 1.888 + 2012SOL HW2 7609 0.872 6.420 1.732 + 2013SOL OW 7610 0.438 5.978 1.499 + 2013SOL HW1 7611 0.520 5.922 1.508 + 2013SOL HW2 7612 0.357 5.920 1.503 + 2014SOL OW 7613 1.603 6.033 0.737 + 2014SOL HW1 7614 1.529 6.079 0.687 + 2014SOL HW2 7615 1.654 6.101 0.790 + 2015SOL OW 7616 0.122 6.229 0.563 + 2015SOL HW1 7617 0.077 6.141 0.580 + 2015SOL HW2 7618 0.121 6.283 0.647 + 2016SOL OW 7619 1.689 6.508 0.612 + 2016SOL HW1 7620 1.784 6.479 0.620 + 2016SOL HW2 7621 1.681 6.573 0.537 + 2017SOL OW 7622 0.113 6.323 1.597 + 2017SOL HW1 7623 0.201 6.310 1.642 + 2017SOL HW2 7624 0.100 6.420 1.575 + 2018SOL OW 7625 0.809 5.590 0.502 + 2018SOL HW1 7626 0.849 5.681 0.493 + 2018SOL HW2 7627 0.709 5.598 0.508 + 2019SOL OW 7628 0.317 5.837 1.801 + 2019SOL HW1 7629 0.388 5.908 1.807 + 2019SOL HW2 7630 0.229 5.876 1.829 + 2020SOL OW 7631 0.598 6.315 0.270 + 2020SOL HW1 7632 0.622 6.384 0.202 + 2020SOL HW2 7633 0.520 6.348 0.324 + 2021SOL OW 7634 1.281 5.931 0.944 + 2021SOL HW1 7635 1.195 5.881 0.931 + 2021SOL HW2 7636 1.343 5.877 1.000 + 2022SOL OW 7637 0.807 6.191 1.465 + 2022SOL HW1 7638 0.760 6.188 1.554 + 2022SOL HW2 7639 0.756 6.136 1.399 + 2023SOL OW 7640 1.394 6.055 1.674 + 2023SOL HW1 7641 1.374 6.098 1.762 + 2023SOL HW2 7642 1.472 5.993 1.683 + 2024SOL OW 7643 0.973 6.476 1.572 + 2024SOL HW1 7644 1.019 6.392 1.543 + 2024SOL HW2 7645 0.917 6.510 1.497 + 2025SOL OW 7646 0.991 5.996 1.242 + 2025SOL HW1 7647 0.914 6.030 1.296 + 2025SOL HW2 7648 0.957 5.945 1.163 + 2026SOL OW 7649 1.041 6.287 0.429 + 2026SOL HW1 7650 1.067 6.283 0.525 + 2026SOL HW2 7651 0.956 6.236 0.415 + 2027SOL OW 7652 0.076 6.397 0.789 + 2027SOL HW1 7653 0.175 6.385 0.798 + 2027SOL HW2 7654 0.052 6.492 0.810 + 2028SOL OW 7655 0.865 5.934 0.195 + 2028SOL HW1 7656 0.924 5.997 0.146 + 2028SOL HW2 7657 0.884 5.840 0.166 + 2029SOL OW 7658 1.719 6.171 1.831 + 2029SOL HW1 7659 1.693 6.260 1.795 + 2029SOL HW2 7660 1.717 6.103 1.758 + 2030SOL OW 7661 0.550 5.782 0.885 + 2030SOL HW1 7662 0.545 5.777 0.985 + 2030SOL HW2 7663 0.552 5.878 0.856 + 2031SOL OW 7664 0.321 6.529 0.242 + 2031SOL HW1 7665 0.403 6.568 0.200 + 2031SOL HW2 7666 0.294 6.447 0.193 + 2032SOL OW 7667 1.458 6.321 0.728 + 2032SOL HW1 7668 1.453 6.256 0.803 + 2032SOL HW2 7669 1.538 6.380 0.741 + 2033SOL OW 7670 0.202 5.871 1.498 + 2033SOL HW1 7671 0.122 5.931 1.485 + 2033SOL HW2 7672 0.192 5.822 1.584 + 2034SOL OW 7673 1.400 5.693 0.426 + 2034SOL HW1 7674 1.376 5.656 0.336 + 2034SOL HW2 7675 1.499 5.709 0.430 + 2035SOL OW 7676 0.382 6.286 0.480 + 2035SOL HW1 7677 0.427 6.196 0.477 + 2035SOL HW2 7678 0.288 6.275 0.513 + 2036SOL OW 7679 1.547 5.808 1.729 + 2036SOL HW1 7680 1.542 5.845 1.821 + 2036SOL HW2 7681 1.475 5.739 1.717 + 2037SOL OW 7682 0.614 5.708 0.117 + 2037SOL HW1 7683 0.712 5.686 0.124 + 2037SOL HW2 7684 0.583 5.691 0.024 + 2038SOL OW 7685 0.781 5.850 1.749 + 2038SOL HW1 7686 0.848 5.789 1.792 + 2038SOL HW2 7687 0.708 5.869 1.814 + 2039SOL OW 7688 1.351 6.176 1.433 + 2039SOL HW1 7689 1.379 6.133 1.518 + 2039SOL HW2 7690 1.376 6.272 1.434 + 2040SOL OW 7691 0.922 6.089 0.899 + 2040SOL HW1 7692 0.897 6.080 0.803 + 2040SOL HW2 7693 0.970 6.007 0.930 + 2041SOL OW 7694 0.539 5.650 0.512 + 2041SOL HW1 7695 0.458 5.651 0.570 + 2041SOL HW2 7696 0.542 5.733 0.457 + 2042SOL OW 7697 0.297 5.621 0.171 + 2042SOL HW1 7698 0.346 5.705 0.150 + 2042SOL HW2 7699 0.359 5.556 0.216 + 2043SOL OW 7700 0.935 5.822 0.480 + 2043SOL HW1 7701 0.887 5.863 0.402 + 2043SOL HW2 7702 1.034 5.820 0.461 + 2044SOL OW 7703 1.076 6.269 1.464 + 2044SOL HW1 7704 0.996 6.208 1.467 + 2044SOL HW2 7705 1.157 6.216 1.440 + 2045SOL OW 7706 1.032 6.135 0.016 + 2045SOL HW1 7707 0.991 6.217 -0.023 + 2045SOL HW2 7708 1.096 6.161 0.089 + 2046SOL OW 7709 0.078 6.142 1.386 + 2046SOL HW1 7710 0.170 6.141 1.345 + 2046SOL HW2 7711 0.072 6.216 1.453 + 2047SOL OW 7712 0.561 5.808 1.147 + 2047SOL HW1 7713 0.599 5.724 1.184 + 2047SOL HW2 7714 0.473 5.827 1.191 + 2048SOL OW 7715 0.866 6.040 0.642 + 2048SOL HW1 7716 0.834 6.112 0.580 + 2048SOL HW2 7717 0.890 5.959 0.589 + 2049SOL OW 7718 1.017 5.625 0.753 + 2049SOL HW1 7719 0.945 5.630 0.684 + 2049SOL HW2 7720 0.993 5.556 0.822 + 2050SOL OW 7721 1.466 6.176 0.992 + 2050SOL HW1 7722 1.436 6.081 0.999 + 2050SOL HW2 7723 1.539 6.192 1.058 + 2051SOL OW 7724 1.857 6.419 0.377 + 2051SOL HW1 7725 1.899 6.355 0.441 + 2051SOL HW2 7726 1.819 6.368 0.299 + 2052SOL OW 7727 1.390 6.161 0.078 + 2052SOL HW1 7728 1.336 6.140 0.159 + 2052SOL HW2 7729 1.481 6.120 0.087 + 2053SOL OW 7730 0.527 5.842 0.328 + 2053SOL HW1 7731 0.554 5.783 0.253 + 2053SOL HW2 7732 0.527 5.937 0.297 + 2054SOL OW 7733 0.915 5.675 1.402 + 2054SOL HW1 7734 0.940 5.655 1.307 + 2054SOL HW2 7735 0.987 5.731 1.444 + 2055SOL OW 7736 0.410 6.399 1.251 + 2055SOL HW1 7737 0.496 6.411 1.301 + 2055SOL HW2 7738 0.368 6.312 1.278 + 2056SOL OW 7739 1.274 5.972 1.262 + 2056SOL HW1 7740 1.295 6.046 1.326 + 2056SOL HW2 7741 1.185 5.989 1.219 + 2057SOL OW 7742 0.566 6.123 0.865 + 2057SOL HW1 7743 0.578 6.189 0.791 + 2057SOL HW2 7744 0.612 6.157 0.948 + 2058SOL OW 7745 1.582 6.225 0.472 + 2058SOL HW1 7746 1.551 6.286 0.545 + 2058SOL HW2 7747 1.632 6.277 0.403 + 2059SOL OW 7748 0.402 6.337 1.598 + 2059SOL HW1 7749 0.470 6.392 1.551 + 2059SOL HW2 7750 0.442 6.249 1.625 + 2060SOL OW 7751 1.587 6.365 1.670 + 2060SOL HW1 7752 1.495 6.403 1.665 + 2060SOL HW2 7753 1.647 6.412 1.605 + 2061SOL OW 7754 1.013 5.691 1.770 + 2061SOL HW1 7755 1.019 5.776 1.718 + 2061SOL HW2 7756 1.045 5.615 1.713 + 2062SOL OW 7757 0.504 5.636 1.740 + 2062SOL HW1 7758 0.462 5.579 1.670 + 2062SOL HW2 7759 0.438 5.705 1.772 + 2063SOL OW 7760 0.573 6.456 1.029 + 2063SOL HW1 7761 0.617 6.545 1.020 + 2063SOL HW2 7762 0.510 6.456 1.106 + 2064SOL OW 7763 1.360 6.448 1.045 + 2064SOL HW1 7764 1.285 6.448 0.979 + 2064SOL HW2 7765 1.397 6.356 1.054 + 2065SOL OW 7766 1.209 6.111 0.275 + 2065SOL HW1 7767 1.222 6.027 0.329 + 2065SOL HW2 7768 1.180 6.185 0.335 + 2066SOL OW 7769 0.307 5.799 1.231 + 2066SOL HW1 7770 0.284 5.836 1.321 + 2066SOL HW2 7771 0.277 5.704 1.225 + 2067SOL OW 7772 0.732 6.220 1.064 + 2067SOL HW1 7773 0.791 6.194 0.988 + 2067SOL HW2 7774 0.704 6.316 1.053 + 2068SOL OW 7775 0.307 5.649 0.618 + 2068SOL HW1 7776 0.296 5.743 0.651 + 2068SOL HW2 7777 0.302 5.586 0.695 + 2069SOL OW 7778 1.622 5.953 0.374 + 2069SOL HW1 7779 1.624 5.877 0.438 + 2069SOL HW2 7780 1.574 6.030 0.414 + 2070SOL OW 7781 1.023 6.352 0.966 + 2070SOL HW1 7782 1.038 6.373 1.062 + 2070SOL HW2 7783 0.993 6.257 0.957 + 2071SOL OW 7784 0.350 6.484 1.804 + 2071SOL HW1 7785 0.426 6.528 1.852 + 2071SOL HW2 7786 0.385 6.437 1.722 + 2072SOL OW 7787 1.540 5.860 0.125 + 2072SOL HW1 7788 1.479 5.785 0.148 + 2072SOL HW2 7789 1.562 5.912 0.208 + 2073SOL OW 7790 1.303 6.424 0.042 + 2073SOL HW1 7791 1.337 6.331 0.057 + 2073SOL HW2 7792 1.321 6.451 -0.053 + 2074SOL OW 7793 0.319 6.396 0.949 + 2074SOL HW1 7794 0.412 6.432 0.954 + 2074SOL HW2 7795 0.313 6.311 1.001 + 2075SOL OW 7796 0.339 6.095 1.006 + 2075SOL HW1 7797 0.287 6.012 0.989 + 2075SOL HW2 7798 0.416 6.100 0.942 + 2076SOL OW 7799 1.138 5.966 1.678 + 2076SOL HW1 7800 1.093 6.029 1.742 + 2076SOL HW2 7801 1.231 5.997 1.661 + 2077SOL OW 7802 1.160 5.793 1.477 + 2077SOL HW1 7803 1.160 5.857 1.554 + 2077SOL HW2 7804 1.188 5.841 1.394 + 2078SOL OW 7805 1.002 6.382 1.238 + 2078SOL HW1 7806 1.043 6.350 1.324 + 2078SOL HW2 7807 0.906 6.355 1.235 + 2079SOL OW 7808 0.040 6.130 1.114 + 2079SOL HW1 7809 0.125 6.097 1.073 + 2079SOL HW2 7810 0.053 6.145 1.212 + 2080SOL OW 7811 0.189 6.106 1.722 + 2080SOL HW1 7812 0.248 6.066 1.652 + 2080SOL HW2 7813 0.131 6.177 1.681 + 2081SOL OW 7814 0.815 6.158 0.325 + 2081SOL HW1 7815 0.822 6.069 0.279 + 2081SOL HW2 7816 0.721 6.192 0.317 + 2082SOL OW 7817 1.657 6.190 1.206 + 2082SOL HW1 7818 1.619 6.121 1.268 + 2082SOL HW2 7819 1.739 6.154 1.162 + 2083SOL OW 7820 0.671 6.050 1.269 + 2083SOL HW1 7821 0.637 5.961 1.239 + 2083SOL HW2 7822 0.697 6.104 1.189 + 2084SOL OW 7823 0.473 6.086 0.191 + 2084SOL HW1 7824 0.534 6.166 0.195 + 2084SOL HW2 7825 0.378 6.117 0.198 + 2085SOL OW 7826 1.302 6.441 0.309 + 2085SOL HW1 7827 1.216 6.410 0.351 + 2085SOL HW2 7828 1.298 6.427 0.210 + 2086SOL OW 7829 0.903 5.672 0.133 + 2086SOL HW1 7830 0.954 5.673 0.047 + 2086SOL HW2 7831 0.959 5.630 0.204 + 2087SOL OW 7832 1.726 5.721 0.523 + 2087SOL HW1 7833 1.799 5.704 0.456 + 2087SOL HW2 7834 1.695 5.634 0.561 + 2088SOL OW 7835 1.280 6.513 0.672 + 2088SOL HW1 7836 1.340 6.432 0.674 + 2088SOL HW2 7837 1.320 6.582 0.612 + 2089SOL OW 7838 1.841 5.761 0.963 + 2089SOL HW1 7839 1.880 5.676 0.927 + 2089SOL HW2 7840 1.743 5.763 0.944 + 2090SOL OW 7841 0.263 5.912 0.720 + 2090SOL HW1 7842 0.184 5.963 0.686 + 2090SOL HW2 7843 0.254 5.897 0.818 + 2091SOL OW 7844 0.916 6.496 0.291 + 2091SOL HW1 7845 0.979 6.534 0.223 + 2091SOL HW2 7846 0.956 6.413 0.330 + 2092SOL OW 7847 1.014 5.822 0.971 + 2092SOL HW1 7848 1.006 5.786 0.878 + 2092SOL HW2 7849 1.012 5.746 1.036 + 2093SOL OW 7850 1.709 5.971 1.381 + 2093SOL HW1 7851 1.782 6.040 1.385 + 2093SOL HW2 7852 1.737 5.896 1.322 + 2094SOL OW 7853 0.672 5.789 1.489 + 2094SOL HW1 7854 0.762 5.773 1.449 + 2094SOL HW2 7855 0.680 5.794 1.588 + 2095SOL OW 7856 0.075 5.931 0.033 + 2095SOL HW1 7857 -0.017 5.903 0.004 + 2095SOL HW2 7858 0.106 6.008 -0.023 + 2096SOL OW 7859 1.440 6.442 1.398 + 2096SOL HW1 7860 1.383 6.494 1.335 + 2096SOL HW2 7861 1.536 6.454 1.374 + 2097SOL OW 7862 0.072 5.752 0.318 + 2097SOL HW1 7863 0.055 5.835 0.264 + 2097SOL HW2 7864 0.162 5.715 0.296 + 2098SOL OW 7865 0.613 6.428 1.431 + 2098SOL HW1 7866 0.669 6.509 1.414 + 2098SOL HW2 7867 0.672 6.348 1.434 + 2099SOL OW 7868 0.716 6.151 1.708 + 2099SOL HW1 7869 0.735 6.216 1.782 + 2099SOL HW2 7870 0.776 6.071 1.717 + 2100SOL OW 7871 1.674 6.469 1.254 + 2100SOL HW1 7872 1.647 6.380 1.217 + 2100SOL HW2 7873 1.675 6.537 1.181 + 2101SOL OW 7874 1.225 5.911 0.449 + 2101SOL HW1 7875 1.290 5.837 0.438 + 2101SOL HW2 7876 1.245 5.961 0.533 + 2102SOL OW 7877 0.594 6.331 0.652 + 2102SOL HW1 7878 0.644 6.416 0.633 + 2102SOL HW2 7879 0.506 6.333 0.604 + 2103SOL OW 7880 1.777 5.928 1.642 + 2103SOL HW1 7881 1.760 5.959 1.548 + 2103SOL HW2 7882 1.693 5.891 1.680 + 2104SOL OW 7883 0.859 6.542 0.861 + 2104SOL HW1 7884 0.913 6.473 0.909 + 2104SOL HW2 7885 0.827 6.611 0.927 + 2105SOL OW 7886 1.824 5.778 1.227 + 2105SOL HW1 7887 1.820 5.688 1.271 + 2105SOL HW2 7888 1.827 5.767 1.128 + 2106SOL OW 7889 0.428 6.010 0.520 + 2106SOL HW1 7890 0.458 5.938 0.458 + 2106SOL HW2 7891 0.389 5.970 0.603 + 2107SOL OW 7892 0.317 6.133 1.280 + 2107SOL HW1 7893 0.355 6.074 1.352 + 2107SOL HW2 7894 0.357 6.107 1.192 + 2108SOL OW 7895 1.424 5.800 1.112 + 2108SOL HW1 7896 1.476 5.735 1.167 + 2108SOL HW2 7897 1.375 5.863 1.173 + 2109SOL OW 7898 1.001 5.620 1.154 + 2109SOL HW1 7899 0.938 5.548 1.123 + 2109SOL HW2 7900 1.094 5.584 1.154 + 2110SOL OW 7901 1.352 5.638 0.168 + 2110SOL HW1 7902 1.387 5.597 0.084 + 2110SOL HW2 7903 1.262 5.600 0.188 + 2111SOL OW 7904 1.300 6.039 0.691 + 2111SOL HW1 7905 1.241 6.119 0.695 + 2111SOL HW2 7906 1.315 6.004 0.784 + 2112SOL OW 7907 1.593 5.807 0.882 + 2112SOL HW1 7908 1.509 5.806 0.936 + 2112SOL HW2 7909 1.595 5.890 0.826 + 2113SOL OW 7910 0.230 6.214 1.975 + 2113SOL HW1 7911 0.137 6.212 2.012 + 2113SOL HW2 7912 0.231 6.175 1.883 + 2114SOL OW 7913 0.225 5.861 2.858 + 2114SOL HW1 7914 0.260 5.844 2.950 + 2114SOL HW2 7915 0.137 5.816 2.846 + 2115SOL OW 7916 0.019 5.954 2.509 + 2115SOL HW1 7917 -0.063 5.997 2.548 + 2115SOL HW2 7918 -0.009 5.881 2.446 + 2116SOL OW 7919 1.135 6.289 2.579 + 2116SOL HW1 7920 1.192 6.367 2.554 + 2116SOL HW2 7921 1.075 6.315 2.655 + 2117SOL OW 7922 1.755 6.193 2.093 + 2117SOL HW1 7923 1.743 6.180 1.994 + 2117SOL HW2 7924 1.725 6.112 2.142 + 2118SOL OW 7925 0.850 6.384 3.685 + 2118SOL HW1 7926 0.846 6.460 3.750 + 2118SOL HW2 7927 0.872 6.420 3.594 + 2119SOL OW 7928 0.438 5.978 3.361 + 2119SOL HW1 7929 0.520 5.922 3.370 + 2119SOL HW2 7930 0.357 5.920 3.365 + 2120SOL OW 7931 1.594 5.700 3.342 + 2120SOL HW1 7932 1.576 5.767 3.270 + 2120SOL HW2 7933 1.591 5.746 3.431 + 2121SOL OW 7934 0.122 6.229 2.425 + 2121SOL HW1 7935 0.077 6.141 2.442 + 2121SOL HW2 7936 0.121 6.283 2.509 + 2122SOL OW 7937 1.689 6.508 2.474 + 2122SOL HW1 7938 1.784 6.479 2.482 + 2122SOL HW2 7939 1.681 6.573 2.399 + 2123SOL OW 7940 0.113 6.323 3.459 + 2123SOL HW1 7941 0.201 6.310 3.504 + 2123SOL HW2 7942 0.100 6.420 3.437 + 2124SOL OW 7943 0.809 5.590 2.364 + 2124SOL HW1 7944 0.849 5.681 2.355 + 2124SOL HW2 7945 0.709 5.598 2.370 + 2125SOL OW 7946 0.317 5.837 3.663 + 2125SOL HW1 7947 0.388 5.908 3.669 + 2125SOL HW2 7948 0.229 5.876 3.691 + 2126SOL OW 7949 0.598 6.315 2.132 + 2126SOL HW1 7950 0.622 6.384 2.064 + 2126SOL HW2 7951 0.520 6.348 2.186 + 2127SOL OW 7952 1.281 5.931 2.806 + 2127SOL HW1 7953 1.195 5.881 2.793 + 2127SOL HW2 7954 1.343 5.877 2.862 + 2128SOL OW 7955 0.807 6.191 3.327 + 2128SOL HW1 7956 0.760 6.188 3.416 + 2128SOL HW2 7957 0.756 6.136 3.261 + 2129SOL OW 7958 1.394 6.055 3.536 + 2129SOL HW1 7959 1.374 6.098 3.624 + 2129SOL HW2 7960 1.472 5.993 3.545 + 2130SOL OW 7961 0.973 6.476 3.434 + 2130SOL HW1 7962 1.019 6.392 3.405 + 2130SOL HW2 7963 0.917 6.510 3.359 + 2131SOL OW 7964 0.991 5.996 3.104 + 2131SOL HW1 7965 0.914 6.030 3.158 + 2131SOL HW2 7966 0.957 5.945 3.025 + 2132SOL OW 7967 1.041 6.287 2.291 + 2132SOL HW1 7968 1.067 6.283 2.387 + 2132SOL HW2 7969 0.956 6.236 2.277 + 2133SOL OW 7970 0.076 6.397 2.651 + 2133SOL HW1 7971 0.175 6.385 2.660 + 2133SOL HW2 7972 0.052 6.492 2.672 + 2134SOL OW 7973 0.865 5.934 2.057 + 2134SOL HW1 7974 0.924 5.997 2.008 + 2134SOL HW2 7975 0.884 5.840 2.028 + 2135SOL OW 7976 1.719 6.171 3.693 + 2135SOL HW1 7977 1.693 6.260 3.657 + 2135SOL HW2 7978 1.717 6.103 3.620 + 2136SOL OW 7979 0.550 5.782 2.747 + 2136SOL HW1 7980 0.545 5.777 2.847 + 2136SOL HW2 7981 0.552 5.878 2.718 + 2137SOL OW 7982 0.321 6.529 2.104 + 2137SOL HW1 7983 0.403 6.568 2.062 + 2137SOL HW2 7984 0.294 6.447 2.055 + 2138SOL OW 7985 1.458 6.321 2.590 + 2138SOL HW1 7986 1.453 6.256 2.665 + 2138SOL HW2 7987 1.538 6.380 2.603 + 2139SOL OW 7988 0.202 5.871 3.360 + 2139SOL HW1 7989 0.122 5.931 3.347 + 2139SOL HW2 7990 0.192 5.822 3.446 + 2140SOL OW 7991 1.400 5.693 2.288 + 2140SOL HW1 7992 1.376 5.656 2.198 + 2140SOL HW2 7993 1.499 5.709 2.292 + 2141SOL OW 7994 0.382 6.286 2.342 + 2141SOL HW1 7995 0.427 6.196 2.339 + 2141SOL HW2 7996 0.288 6.275 2.375 + 2142SOL OW 7997 1.547 5.808 3.591 + 2142SOL HW1 7998 1.542 5.845 3.683 + 2142SOL HW2 7999 1.475 5.739 3.579 + 2143SOL OW 8000 0.614 5.708 1.979 + 2143SOL HW1 8001 0.712 5.686 1.986 + 2143SOL HW2 8002 0.583 5.691 1.886 + 2144SOL OW 8003 0.781 5.850 3.611 + 2144SOL HW1 8004 0.848 5.789 3.654 + 2144SOL HW2 8005 0.708 5.869 3.676 + 2145SOL OW 8006 1.351 6.176 3.295 + 2145SOL HW1 8007 1.379 6.133 3.380 + 2145SOL HW2 8008 1.376 6.272 3.296 + 2146SOL OW 8009 0.922 6.089 2.761 + 2146SOL HW1 8010 0.897 6.080 2.665 + 2146SOL HW2 8011 0.970 6.007 2.792 + 2147SOL OW 8012 0.539 5.650 2.374 + 2147SOL HW1 8013 0.458 5.651 2.432 + 2147SOL HW2 8014 0.542 5.733 2.319 + 2148SOL OW 8015 0.297 5.621 2.033 + 2148SOL HW1 8016 0.346 5.705 2.012 + 2148SOL HW2 8017 0.359 5.556 2.078 + 2149SOL OW 8018 0.935 5.822 2.342 + 2149SOL HW1 8019 0.887 5.863 2.264 + 2149SOL HW2 8020 1.034 5.820 2.323 + 2150SOL OW 8021 1.076 6.269 3.326 + 2150SOL HW1 8022 0.996 6.208 3.329 + 2150SOL HW2 8023 1.157 6.216 3.302 + 2151SOL OW 8024 1.032 6.135 1.878 + 2151SOL HW1 8025 0.991 6.217 1.839 + 2151SOL HW2 8026 1.096 6.161 1.951 + 2152SOL OW 8027 0.078 6.142 3.248 + 2152SOL HW1 8028 0.170 6.141 3.207 + 2152SOL HW2 8029 0.072 6.216 3.315 + 2153SOL OW 8030 0.561 5.808 3.009 + 2153SOL HW1 8031 0.599 5.724 3.046 + 2153SOL HW2 8032 0.473 5.827 3.053 + 2154SOL OW 8033 0.866 6.040 2.504 + 2154SOL HW1 8034 0.834 6.112 2.442 + 2154SOL HW2 8035 0.890 5.959 2.451 + 2155SOL OW 8036 1.017 5.625 2.615 + 2155SOL HW1 8037 0.945 5.630 2.546 + 2155SOL HW2 8038 0.993 5.556 2.684 + 2156SOL OW 8039 1.466 6.176 2.854 + 2156SOL HW1 8040 1.436 6.081 2.861 + 2156SOL HW2 8041 1.539 6.192 2.920 + 2157SOL OW 8042 1.857 6.419 2.239 + 2157SOL HW1 8043 1.899 6.355 2.303 + 2157SOL HW2 8044 1.819 6.368 2.161 + 2158SOL OW 8045 1.390 6.161 1.940 + 2158SOL HW1 8046 1.336 6.140 2.021 + 2158SOL HW2 8047 1.481 6.120 1.949 + 2159SOL OW 8048 0.527 5.842 2.190 + 2159SOL HW1 8049 0.554 5.783 2.115 + 2159SOL HW2 8050 0.527 5.937 2.159 + 2160SOL OW 8051 0.915 5.675 3.264 + 2160SOL HW1 8052 0.940 5.655 3.169 + 2160SOL HW2 8053 0.987 5.731 3.306 + 2161SOL OW 8054 0.410 6.399 3.113 + 2161SOL HW1 8055 0.496 6.411 3.163 + 2161SOL HW2 8056 0.368 6.312 3.140 + 2162SOL OW 8057 1.274 5.972 3.124 + 2162SOL HW1 8058 1.295 6.046 3.188 + 2162SOL HW2 8059 1.185 5.989 3.081 + 2163SOL OW 8060 0.566 6.123 2.727 + 2163SOL HW1 8061 0.578 6.189 2.653 + 2163SOL HW2 8062 0.612 6.157 2.810 + 2164SOL OW 8063 1.582 6.225 2.334 + 2164SOL HW1 8064 1.551 6.286 2.407 + 2164SOL HW2 8065 1.632 6.277 2.265 + 2165SOL OW 8066 0.402 6.337 3.460 + 2165SOL HW1 8067 0.470 6.392 3.413 + 2165SOL HW2 8068 0.442 6.249 3.487 + 2166SOL OW 8069 1.587 6.365 3.532 + 2166SOL HW1 8070 1.495 6.403 3.527 + 2166SOL HW2 8071 1.647 6.412 3.467 + 2167SOL OW 8072 1.013 5.691 3.632 + 2167SOL HW1 8073 1.019 5.776 3.580 + 2167SOL HW2 8074 1.045 5.615 3.575 + 2168SOL OW 8075 0.504 5.636 3.602 + 2168SOL HW1 8076 0.462 5.579 3.532 + 2168SOL HW2 8077 0.438 5.705 3.634 + 2169SOL OW 8078 0.573 6.456 2.891 + 2169SOL HW1 8079 0.617 6.545 2.882 + 2169SOL HW2 8080 0.510 6.456 2.968 + 2170SOL OW 8081 1.360 6.448 2.907 + 2170SOL HW1 8082 1.285 6.448 2.841 + 2170SOL HW2 8083 1.397 6.356 2.916 + 2171SOL OW 8084 1.209 6.111 2.137 + 2171SOL HW1 8085 1.222 6.027 2.191 + 2171SOL HW2 8086 1.180 6.185 2.197 + 2172SOL OW 8087 0.307 5.799 3.093 + 2172SOL HW1 8088 0.284 5.836 3.183 + 2172SOL HW2 8089 0.277 5.704 3.087 + 2173SOL OW 8090 0.732 6.220 2.926 + 2173SOL HW1 8091 0.791 6.194 2.850 + 2173SOL HW2 8092 0.704 6.316 2.915 + 2174SOL OW 8093 0.307 5.649 2.480 + 2174SOL HW1 8094 0.296 5.743 2.513 + 2174SOL HW2 8095 0.302 5.586 2.557 + 2175SOL OW 8096 1.622 5.953 2.236 + 2175SOL HW1 8097 1.624 5.877 2.300 + 2175SOL HW2 8098 1.574 6.030 2.276 + 2176SOL OW 8099 1.023 6.352 2.828 + 2176SOL HW1 8100 1.038 6.373 2.924 + 2176SOL HW2 8101 0.993 6.257 2.819 + 2177SOL OW 8102 0.350 6.484 3.666 + 2177SOL HW1 8103 0.426 6.528 3.714 + 2177SOL HW2 8104 0.385 6.437 3.584 + 2178SOL OW 8105 1.540 5.860 1.987 + 2178SOL HW1 8106 1.479 5.785 2.010 + 2178SOL HW2 8107 1.562 5.912 2.070 + 2179SOL OW 8108 1.303 6.424 1.904 + 2179SOL HW1 8109 1.337 6.331 1.919 + 2179SOL HW2 8110 1.321 6.451 1.809 + 2180SOL OW 8111 0.319 6.396 2.811 + 2180SOL HW1 8112 0.412 6.432 2.816 + 2180SOL HW2 8113 0.313 6.311 2.863 + 2181SOL OW 8114 0.339 6.095 2.868 + 2181SOL HW1 8115 0.287 6.012 2.851 + 2181SOL HW2 8116 0.416 6.100 2.804 + 2182SOL OW 8117 1.138 5.966 3.540 + 2182SOL HW1 8118 1.093 6.029 3.604 + 2182SOL HW2 8119 1.231 5.997 3.523 + 2183SOL OW 8120 1.160 5.793 3.339 + 2183SOL HW1 8121 1.160 5.857 3.416 + 2183SOL HW2 8122 1.188 5.841 3.256 + 2184SOL OW 8123 1.002 6.382 3.100 + 2184SOL HW1 8124 1.043 6.350 3.186 + 2184SOL HW2 8125 0.906 6.355 3.097 + 2185SOL OW 8126 0.040 6.130 2.976 + 2185SOL HW1 8127 0.125 6.097 2.935 + 2185SOL HW2 8128 0.053 6.145 3.074 + 2186SOL OW 8129 0.189 6.106 3.584 + 2186SOL HW1 8130 0.248 6.066 3.514 + 2186SOL HW2 8131 0.131 6.177 3.543 + 2187SOL OW 8132 0.815 6.158 2.187 + 2187SOL HW1 8133 0.822 6.069 2.141 + 2187SOL HW2 8134 0.721 6.192 2.179 + 2188SOL OW 8135 1.657 6.190 3.068 + 2188SOL HW1 8136 1.619 6.121 3.130 + 2188SOL HW2 8137 1.739 6.154 3.024 + 2189SOL OW 8138 0.671 6.050 3.131 + 2189SOL HW1 8139 0.637 5.961 3.101 + 2189SOL HW2 8140 0.697 6.104 3.051 + 2190SOL OW 8141 0.473 6.086 2.053 + 2190SOL HW1 8142 0.534 6.166 2.057 + 2190SOL HW2 8143 0.378 6.117 2.060 + 2191SOL OW 8144 1.302 6.441 2.171 + 2191SOL HW1 8145 1.216 6.410 2.213 + 2191SOL HW2 8146 1.298 6.427 2.072 + 2192SOL OW 8147 1.726 5.721 2.385 + 2192SOL HW1 8148 1.799 5.704 2.318 + 2192SOL HW2 8149 1.695 5.634 2.423 + 2193SOL OW 8150 1.280 6.513 2.534 + 2193SOL HW1 8151 1.340 6.432 2.536 + 2193SOL HW2 8152 1.320 6.582 2.474 + 2194SOL OW 8153 1.841 5.761 2.825 + 2194SOL HW1 8154 1.880 5.676 2.789 + 2194SOL HW2 8155 1.743 5.763 2.806 + 2195SOL OW 8156 0.263 5.912 2.582 + 2195SOL HW1 8157 0.184 5.963 2.548 + 2195SOL HW2 8158 0.254 5.897 2.680 + 2196SOL OW 8159 0.916 6.496 2.153 + 2196SOL HW1 8160 0.979 6.534 2.085 + 2196SOL HW2 8161 0.956 6.413 2.192 + 2197SOL OW 8162 1.014 5.822 2.833 + 2197SOL HW1 8163 1.006 5.786 2.740 + 2197SOL HW2 8164 1.012 5.746 2.898 + 2198SOL OW 8165 1.709 5.971 3.243 + 2198SOL HW1 8166 1.782 6.040 3.247 + 2198SOL HW2 8167 1.737 5.896 3.184 + 2199SOL OW 8168 0.672 5.789 3.351 + 2199SOL HW1 8169 0.762 5.773 3.311 + 2199SOL HW2 8170 0.680 5.794 3.450 + 2200SOL OW 8171 0.075 5.931 1.895 + 2200SOL HW1 8172 -0.017 5.903 1.866 + 2200SOL HW2 8173 0.106 6.008 1.839 + 2201SOL OW 8174 1.440 6.442 3.260 + 2201SOL HW1 8175 1.383 6.494 3.197 + 2201SOL HW2 8176 1.536 6.454 3.236 + 2202SOL OW 8177 0.072 5.752 2.180 + 2202SOL HW1 8178 0.055 5.835 2.126 + 2202SOL HW2 8179 0.162 5.715 2.158 + 2203SOL OW 8180 0.613 6.428 3.293 + 2203SOL HW1 8181 0.669 6.509 3.276 + 2203SOL HW2 8182 0.672 6.348 3.296 + 2204SOL OW 8183 0.716 6.151 3.570 + 2204SOL HW1 8184 0.735 6.216 3.644 + 2204SOL HW2 8185 0.776 6.071 3.579 + 2205SOL OW 8186 1.674 6.469 3.116 + 2205SOL HW1 8187 1.647 6.380 3.079 + 2205SOL HW2 8188 1.675 6.537 3.043 + 2206SOL OW 8189 1.225 5.911 2.311 + 2206SOL HW1 8190 1.290 5.837 2.300 + 2206SOL HW2 8191 1.245 5.961 2.395 + 2207SOL OW 8192 0.594 6.331 2.514 + 2207SOL HW1 8193 0.644 6.416 2.495 + 2207SOL HW2 8194 0.506 6.333 2.466 + 2208SOL OW 8195 1.777 5.928 3.504 + 2208SOL HW1 8196 1.760 5.959 3.410 + 2208SOL HW2 8197 1.693 5.891 3.542 + 2209SOL OW 8198 0.859 6.542 2.723 + 2209SOL HW1 8199 0.913 6.473 2.771 + 2209SOL HW2 8200 0.827 6.611 2.789 + 2210SOL OW 8201 1.824 5.778 3.089 + 2210SOL HW1 8202 1.820 5.688 3.133 + 2210SOL HW2 8203 1.827 5.767 2.990 + 2211SOL OW 8204 0.428 6.010 2.382 + 2211SOL HW1 8205 0.458 5.938 2.320 + 2211SOL HW2 8206 0.389 5.970 2.465 + 2212SOL OW 8207 0.317 6.133 3.142 + 2212SOL HW1 8208 0.355 6.074 3.214 + 2212SOL HW2 8209 0.357 6.107 3.054 + 2213SOL OW 8210 1.424 5.800 2.974 + 2213SOL HW1 8211 1.476 5.735 3.029 + 2213SOL HW2 8212 1.375 5.863 3.035 + 2214SOL OW 8213 1.001 5.620 3.016 + 2214SOL HW1 8214 0.938 5.548 2.985 + 2214SOL HW2 8215 1.094 5.584 3.016 + 2215SOL OW 8216 1.352 5.638 2.030 + 2215SOL HW1 8217 1.387 5.597 1.946 + 2215SOL HW2 8218 1.262 5.600 2.050 + 2216SOL OW 8219 1.300 6.039 2.553 + 2216SOL HW1 8220 1.241 6.119 2.557 + 2216SOL HW2 8221 1.315 6.004 2.646 + 2217SOL OW 8222 1.593 5.807 2.744 + 2217SOL HW1 8223 1.509 5.806 2.798 + 2217SOL HW2 8224 1.595 5.890 2.688 + 2218SOL OW 8225 0.230 6.214 3.837 + 2218SOL HW1 8226 0.137 6.212 3.874 + 2218SOL HW2 8227 0.231 6.175 3.745 + 2219SOL OW 8228 0.225 5.861 4.720 + 2219SOL HW1 8229 0.260 5.844 4.812 + 2219SOL HW2 8230 0.137 5.816 4.708 + 2220SOL OW 8231 0.019 5.954 4.371 + 2220SOL HW1 8232 -0.063 5.997 4.410 + 2220SOL HW2 8233 -0.009 5.881 4.308 + 2221SOL OW 8234 1.135 6.289 4.441 + 2221SOL HW1 8235 1.192 6.367 4.416 + 2221SOL HW2 8236 1.075 6.315 4.517 + 2222SOL OW 8237 1.755 6.193 3.955 + 2222SOL HW1 8238 1.743 6.180 3.856 + 2222SOL HW2 8239 1.725 6.112 4.004 + 2223SOL OW 8240 0.850 6.384 5.547 + 2223SOL HW1 8241 0.846 6.460 5.612 + 2223SOL HW2 8242 0.872 6.420 5.456 + 2224SOL OW 8243 0.438 5.978 5.223 + 2224SOL HW1 8244 0.520 5.922 5.232 + 2224SOL HW2 8245 0.357 5.920 5.227 + 2225SOL OW 8246 1.603 6.033 4.461 + 2225SOL HW1 8247 1.529 6.079 4.411 + 2225SOL HW2 8248 1.654 6.101 4.514 + 2226SOL OW 8249 1.594 5.700 5.204 + 2226SOL HW1 8250 1.576 5.767 5.132 + 2226SOL HW2 8251 1.591 5.746 5.293 + 2227SOL OW 8252 0.122 6.229 4.287 + 2227SOL HW1 8253 0.077 6.141 4.304 + 2227SOL HW2 8254 0.121 6.283 4.371 + 2228SOL OW 8255 1.689 6.508 4.336 + 2228SOL HW1 8256 1.784 6.479 4.344 + 2228SOL HW2 8257 1.681 6.573 4.261 + 2229SOL OW 8258 0.113 6.323 5.321 + 2229SOL HW1 8259 0.201 6.310 5.366 + 2229SOL HW2 8260 0.100 6.420 5.299 + 2230SOL OW 8261 0.809 5.590 4.226 + 2230SOL HW1 8262 0.849 5.681 4.217 + 2230SOL HW2 8263 0.709 5.598 4.232 + 2231SOL OW 8264 0.317 5.837 5.525 + 2231SOL HW1 8265 0.388 5.908 5.531 + 2231SOL HW2 8266 0.229 5.876 5.553 + 2232SOL OW 8267 0.598 6.315 3.994 + 2232SOL HW1 8268 0.622 6.384 3.926 + 2232SOL HW2 8269 0.520 6.348 4.048 + 2233SOL OW 8270 1.281 5.931 4.668 + 2233SOL HW1 8271 1.195 5.881 4.655 + 2233SOL HW2 8272 1.343 5.877 4.724 + 2234SOL OW 8273 0.807 6.191 5.189 + 2234SOL HW1 8274 0.760 6.188 5.278 + 2234SOL HW2 8275 0.756 6.136 5.123 + 2235SOL OW 8276 1.394 6.055 5.398 + 2235SOL HW1 8277 1.374 6.098 5.486 + 2235SOL HW2 8278 1.472 5.993 5.407 + 2236SOL OW 8279 0.973 6.476 5.296 + 2236SOL HW1 8280 1.019 6.392 5.267 + 2236SOL HW2 8281 0.917 6.510 5.221 + 2237SOL OW 8282 0.991 5.996 4.966 + 2237SOL HW1 8283 0.914 6.030 5.020 + 2237SOL HW2 8284 0.957 5.945 4.887 + 2238SOL OW 8285 1.041 6.287 4.153 + 2238SOL HW1 8286 1.067 6.283 4.249 + 2238SOL HW2 8287 0.956 6.236 4.139 + 2239SOL OW 8288 0.076 6.397 4.513 + 2239SOL HW1 8289 0.175 6.385 4.522 + 2239SOL HW2 8290 0.052 6.492 4.534 + 2240SOL OW 8291 0.865 5.934 3.919 + 2240SOL HW1 8292 0.924 5.997 3.870 + 2240SOL HW2 8293 0.884 5.840 3.890 + 2241SOL OW 8294 1.719 6.171 5.555 + 2241SOL HW1 8295 1.693 6.260 5.519 + 2241SOL HW2 8296 1.717 6.103 5.482 + 2242SOL OW 8297 0.550 5.782 4.609 + 2242SOL HW1 8298 0.545 5.777 4.709 + 2242SOL HW2 8299 0.552 5.878 4.580 + 2243SOL OW 8300 0.321 6.529 3.966 + 2243SOL HW1 8301 0.403 6.568 3.924 + 2243SOL HW2 8302 0.294 6.447 3.917 + 2244SOL OW 8303 1.458 6.321 4.452 + 2244SOL HW1 8304 1.453 6.256 4.527 + 2244SOL HW2 8305 1.538 6.380 4.465 + 2245SOL OW 8306 0.202 5.871 5.222 + 2245SOL HW1 8307 0.122 5.931 5.209 + 2245SOL HW2 8308 0.192 5.822 5.308 + 2246SOL OW 8309 1.400 5.693 4.150 + 2246SOL HW1 8310 1.376 5.656 4.060 + 2246SOL HW2 8311 1.499 5.709 4.154 + 2247SOL OW 8312 0.382 6.286 4.204 + 2247SOL HW1 8313 0.427 6.196 4.201 + 2247SOL HW2 8314 0.288 6.275 4.237 + 2248SOL OW 8315 1.547 5.808 5.453 + 2248SOL HW1 8316 1.542 5.845 5.545 + 2248SOL HW2 8317 1.475 5.739 5.441 + 2249SOL OW 8318 0.614 5.708 3.841 + 2249SOL HW1 8319 0.712 5.686 3.848 + 2249SOL HW2 8320 0.583 5.691 3.748 + 2250SOL OW 8321 0.781 5.850 5.473 + 2250SOL HW1 8322 0.848 5.789 5.516 + 2250SOL HW2 8323 0.708 5.869 5.538 + 2251SOL OW 8324 1.351 6.176 5.157 + 2251SOL HW1 8325 1.379 6.133 5.242 + 2251SOL HW2 8326 1.376 6.272 5.158 + 2252SOL OW 8327 0.922 6.089 4.623 + 2252SOL HW1 8328 0.897 6.080 4.527 + 2252SOL HW2 8329 0.970 6.007 4.654 + 2253SOL OW 8330 0.539 5.650 4.236 + 2253SOL HW1 8331 0.458 5.651 4.294 + 2253SOL HW2 8332 0.542 5.733 4.181 + 2254SOL OW 8333 0.297 5.621 3.895 + 2254SOL HW1 8334 0.346 5.705 3.874 + 2254SOL HW2 8335 0.359 5.556 3.940 + 2255SOL OW 8336 0.935 5.822 4.204 + 2255SOL HW1 8337 0.887 5.863 4.126 + 2255SOL HW2 8338 1.034 5.820 4.185 + 2256SOL OW 8339 1.076 6.269 5.188 + 2256SOL HW1 8340 0.996 6.208 5.191 + 2256SOL HW2 8341 1.157 6.216 5.164 + 2257SOL OW 8342 1.032 6.135 3.740 + 2257SOL HW1 8343 0.991 6.217 3.701 + 2257SOL HW2 8344 1.096 6.161 3.813 + 2258SOL OW 8345 0.078 6.142 5.110 + 2258SOL HW1 8346 0.170 6.141 5.069 + 2258SOL HW2 8347 0.072 6.216 5.177 + 2259SOL OW 8348 0.561 5.808 4.871 + 2259SOL HW1 8349 0.599 5.724 4.908 + 2259SOL HW2 8350 0.473 5.827 4.915 + 2260SOL OW 8351 0.866 6.040 4.366 + 2260SOL HW1 8352 0.834 6.112 4.304 + 2260SOL HW2 8353 0.890 5.959 4.313 + 2261SOL OW 8354 1.017 5.625 4.477 + 2261SOL HW1 8355 0.945 5.630 4.408 + 2261SOL HW2 8356 0.993 5.556 4.546 + 2262SOL OW 8357 1.466 6.176 4.716 + 2262SOL HW1 8358 1.436 6.081 4.723 + 2262SOL HW2 8359 1.539 6.192 4.782 + 2263SOL OW 8360 1.857 6.419 4.101 + 2263SOL HW1 8361 1.899 6.355 4.165 + 2263SOL HW2 8362 1.819 6.368 4.023 + 2264SOL OW 8363 1.390 6.161 3.802 + 2264SOL HW1 8364 1.336 6.140 3.883 + 2264SOL HW2 8365 1.481 6.120 3.811 + 2265SOL OW 8366 0.527 5.842 4.052 + 2265SOL HW1 8367 0.554 5.783 3.977 + 2265SOL HW2 8368 0.527 5.937 4.021 + 2266SOL OW 8369 0.915 5.675 5.126 + 2266SOL HW1 8370 0.940 5.655 5.031 + 2266SOL HW2 8371 0.987 5.731 5.168 + 2267SOL OW 8372 0.410 6.399 4.975 + 2267SOL HW1 8373 0.496 6.411 5.025 + 2267SOL HW2 8374 0.368 6.312 5.002 + 2268SOL OW 8375 1.274 5.972 4.986 + 2268SOL HW1 8376 1.295 6.046 5.050 + 2268SOL HW2 8377 1.185 5.989 4.943 + 2269SOL OW 8378 0.566 6.123 4.589 + 2269SOL HW1 8379 0.578 6.189 4.515 + 2269SOL HW2 8380 0.612 6.157 4.672 + 2270SOL OW 8381 1.582 6.225 4.196 + 2270SOL HW1 8382 1.551 6.286 4.269 + 2270SOL HW2 8383 1.632 6.277 4.127 + 2271SOL OW 8384 0.402 6.337 5.322 + 2271SOL HW1 8385 0.470 6.392 5.275 + 2271SOL HW2 8386 0.442 6.249 5.349 + 2272SOL OW 8387 1.587 6.365 5.394 + 2272SOL HW1 8388 1.495 6.403 5.389 + 2272SOL HW2 8389 1.647 6.412 5.329 + 2273SOL OW 8390 1.013 5.691 5.494 + 2273SOL HW1 8391 1.019 5.776 5.442 + 2273SOL HW2 8392 1.045 5.615 5.437 + 2274SOL OW 8393 0.504 5.636 5.464 + 2274SOL HW1 8394 0.462 5.579 5.394 + 2274SOL HW2 8395 0.438 5.705 5.496 + 2275SOL OW 8396 0.573 6.456 4.753 + 2275SOL HW1 8397 0.617 6.545 4.744 + 2275SOL HW2 8398 0.510 6.456 4.830 + 2276SOL OW 8399 1.360 6.448 4.769 + 2276SOL HW1 8400 1.285 6.448 4.703 + 2276SOL HW2 8401 1.397 6.356 4.778 + 2277SOL OW 8402 1.209 6.111 3.999 + 2277SOL HW1 8403 1.222 6.027 4.053 + 2277SOL HW2 8404 1.180 6.185 4.059 + 2278SOL OW 8405 0.307 5.799 4.955 + 2278SOL HW1 8406 0.284 5.836 5.045 + 2278SOL HW2 8407 0.277 5.704 4.949 + 2279SOL OW 8408 0.732 6.220 4.788 + 2279SOL HW1 8409 0.791 6.194 4.712 + 2279SOL HW2 8410 0.704 6.316 4.777 + 2280SOL OW 8411 0.307 5.649 4.342 + 2280SOL HW1 8412 0.296 5.743 4.375 + 2280SOL HW2 8413 0.302 5.586 4.419 + 2281SOL OW 8414 1.622 5.953 4.098 + 2281SOL HW1 8415 1.624 5.877 4.162 + 2281SOL HW2 8416 1.574 6.030 4.138 + 2282SOL OW 8417 1.023 6.352 4.690 + 2282SOL HW1 8418 1.038 6.373 4.786 + 2282SOL HW2 8419 0.993 6.257 4.681 + 2283SOL OW 8420 0.350 6.484 5.528 + 2283SOL HW1 8421 0.426 6.528 5.576 + 2283SOL HW2 8422 0.385 6.437 5.446 + 2284SOL OW 8423 1.540 5.860 3.849 + 2284SOL HW1 8424 1.479 5.785 3.872 + 2284SOL HW2 8425 1.562 5.912 3.932 + 2285SOL OW 8426 1.303 6.424 3.766 + 2285SOL HW1 8427 1.337 6.331 3.781 + 2285SOL HW2 8428 1.321 6.451 3.671 + 2286SOL OW 8429 0.319 6.396 4.673 + 2286SOL HW1 8430 0.412 6.432 4.678 + 2286SOL HW2 8431 0.313 6.311 4.725 + 2287SOL OW 8432 0.339 6.095 4.730 + 2287SOL HW1 8433 0.287 6.012 4.713 + 2287SOL HW2 8434 0.416 6.100 4.666 + 2288SOL OW 8435 1.138 5.966 5.402 + 2288SOL HW1 8436 1.093 6.029 5.466 + 2288SOL HW2 8437 1.231 5.997 5.385 + 2289SOL OW 8438 1.160 5.793 5.201 + 2289SOL HW1 8439 1.160 5.857 5.278 + 2289SOL HW2 8440 1.188 5.841 5.118 + 2290SOL OW 8441 1.002 6.382 4.962 + 2290SOL HW1 8442 1.043 6.350 5.048 + 2290SOL HW2 8443 0.906 6.355 4.959 + 2291SOL OW 8444 0.040 6.130 4.838 + 2291SOL HW1 8445 0.125 6.097 4.797 + 2291SOL HW2 8446 0.053 6.145 4.936 + 2292SOL OW 8447 0.189 6.106 5.446 + 2292SOL HW1 8448 0.248 6.066 5.376 + 2292SOL HW2 8449 0.131 6.177 5.405 + 2293SOL OW 8450 0.815 6.158 4.049 + 2293SOL HW1 8451 0.822 6.069 4.003 + 2293SOL HW2 8452 0.721 6.192 4.041 + 2294SOL OW 8453 1.657 6.190 4.930 + 2294SOL HW1 8454 1.619 6.121 4.992 + 2294SOL HW2 8455 1.739 6.154 4.886 + 2295SOL OW 8456 0.671 6.050 4.993 + 2295SOL HW1 8457 0.637 5.961 4.963 + 2295SOL HW2 8458 0.697 6.104 4.913 + 2296SOL OW 8459 0.473 6.086 3.915 + 2296SOL HW1 8460 0.534 6.166 3.919 + 2296SOL HW2 8461 0.378 6.117 3.922 + 2297SOL OW 8462 1.302 6.441 4.033 + 2297SOL HW1 8463 1.216 6.410 4.075 + 2297SOL HW2 8464 1.298 6.427 3.934 + 2298SOL OW 8465 1.726 5.721 4.247 + 2298SOL HW1 8466 1.799 5.704 4.180 + 2298SOL HW2 8467 1.695 5.634 4.285 + 2299SOL OW 8468 1.280 6.513 4.396 + 2299SOL HW1 8469 1.340 6.432 4.398 + 2299SOL HW2 8470 1.320 6.582 4.336 + 2300SOL OW 8471 1.841 5.761 4.687 + 2300SOL HW1 8472 1.880 5.676 4.651 + 2300SOL HW2 8473 1.743 5.763 4.668 + 2301SOL OW 8474 0.263 5.912 4.444 + 2301SOL HW1 8475 0.184 5.963 4.410 + 2301SOL HW2 8476 0.254 5.897 4.542 + 2302SOL OW 8477 0.916 6.496 4.015 + 2302SOL HW1 8478 0.979 6.534 3.947 + 2302SOL HW2 8479 0.956 6.413 4.054 + 2303SOL OW 8480 1.014 5.822 4.695 + 2303SOL HW1 8481 1.006 5.786 4.602 + 2303SOL HW2 8482 1.012 5.746 4.760 + 2304SOL OW 8483 1.709 5.971 5.105 + 2304SOL HW1 8484 1.782 6.040 5.109 + 2304SOL HW2 8485 1.737 5.896 5.046 + 2305SOL OW 8486 0.672 5.789 5.213 + 2305SOL HW1 8487 0.762 5.773 5.173 + 2305SOL HW2 8488 0.680 5.794 5.312 + 2306SOL OW 8489 0.075 5.931 3.757 + 2306SOL HW1 8490 -0.017 5.903 3.728 + 2306SOL HW2 8491 0.106 6.008 3.701 + 2307SOL OW 8492 1.440 6.442 5.122 + 2307SOL HW1 8493 1.383 6.494 5.059 + 2307SOL HW2 8494 1.536 6.454 5.098 + 2308SOL OW 8495 0.072 5.752 4.042 + 2308SOL HW1 8496 0.055 5.835 3.988 + 2308SOL HW2 8497 0.162 5.715 4.020 + 2309SOL OW 8498 0.613 6.428 5.155 + 2309SOL HW1 8499 0.669 6.509 5.138 + 2309SOL HW2 8500 0.672 6.348 5.158 + 2310SOL OW 8501 0.716 6.151 5.432 + 2310SOL HW1 8502 0.735 6.216 5.506 + 2310SOL HW2 8503 0.776 6.071 5.441 + 2311SOL OW 8504 1.674 6.469 4.978 + 2311SOL HW1 8505 1.647 6.380 4.941 + 2311SOL HW2 8506 1.675 6.537 4.905 + 2312SOL OW 8507 1.225 5.911 4.173 + 2312SOL HW1 8508 1.290 5.837 4.162 + 2312SOL HW2 8509 1.245 5.961 4.257 + 2313SOL OW 8510 0.594 6.331 4.376 + 2313SOL HW1 8511 0.644 6.416 4.357 + 2313SOL HW2 8512 0.506 6.333 4.328 + 2314SOL OW 8513 1.777 5.928 5.366 + 2314SOL HW1 8514 1.760 5.959 5.272 + 2314SOL HW2 8515 1.693 5.891 5.404 + 2315SOL OW 8516 0.859 6.542 4.585 + 2315SOL HW1 8517 0.913 6.473 4.633 + 2315SOL HW2 8518 0.827 6.611 4.651 + 2316SOL OW 8519 1.824 5.778 4.951 + 2316SOL HW1 8520 1.820 5.688 4.995 + 2316SOL HW2 8521 1.827 5.767 4.852 + 2317SOL OW 8522 0.428 6.010 4.244 + 2317SOL HW1 8523 0.458 5.938 4.182 + 2317SOL HW2 8524 0.389 5.970 4.327 + 2318SOL OW 8525 0.317 6.133 5.004 + 2318SOL HW1 8526 0.355 6.074 5.076 + 2318SOL HW2 8527 0.357 6.107 4.916 + 2319SOL OW 8528 1.424 5.800 4.836 + 2319SOL HW1 8529 1.476 5.735 4.891 + 2319SOL HW2 8530 1.375 5.863 4.897 + 2320SOL OW 8531 1.001 5.620 4.878 + 2320SOL HW1 8532 0.938 5.548 4.847 + 2320SOL HW2 8533 1.094 5.584 4.878 + 2321SOL OW 8534 1.352 5.638 3.892 + 2321SOL HW1 8535 1.387 5.597 3.808 + 2321SOL HW2 8536 1.262 5.600 3.912 + 2322SOL OW 8537 1.300 6.039 4.415 + 2322SOL HW1 8538 1.241 6.119 4.419 + 2322SOL HW2 8539 1.315 6.004 4.508 + 2323SOL OW 8540 1.593 5.807 4.606 + 2323SOL HW1 8541 1.509 5.806 4.660 + 2323SOL HW2 8542 1.595 5.890 4.550 + 2324SOL OW 8543 2.092 0.628 0.113 + 2324SOL HW1 8544 1.999 0.626 0.150 + 2324SOL HW2 8545 2.093 0.589 0.021 + 2325SOL OW 8546 2.087 0.275 0.996 + 2325SOL HW1 8547 2.122 0.258 1.088 + 2325SOL HW2 8548 1.999 0.230 0.984 + 2326SOL OW 8549 1.881 0.368 0.647 + 2326SOL HW1 8550 1.799 0.411 0.686 + 2326SOL HW2 8551 1.853 0.295 0.584 + 2327SOL OW 8552 2.431 1.275 1.165 + 2327SOL HW1 8553 2.338 1.268 1.128 + 2327SOL HW2 8554 2.442 1.364 1.209 + 2328SOL OW 8555 3.417 1.511 0.703 + 2328SOL HW1 8556 3.360 1.495 0.784 + 2328SOL HW2 8557 3.358 1.521 0.623 + 2329SOL OW 8558 2.997 0.703 0.717 + 2329SOL HW1 8559 3.054 0.781 0.692 + 2329SOL HW2 8560 2.937 0.729 0.793 + 2330SOL OW 8561 3.617 0.607 0.231 + 2330SOL HW1 8562 3.605 0.594 0.132 + 2330SOL HW2 8563 3.587 0.526 0.280 + 2331SOL OW 8564 2.630 1.144 1.023 + 2331SOL HW1 8565 2.552 1.161 1.083 + 2331SOL HW2 8566 2.664 1.231 0.987 + 2332SOL OW 8567 2.712 0.798 1.823 + 2332SOL HW1 8568 2.708 0.874 1.888 + 2332SOL HW2 8569 2.734 0.834 1.732 + 2333SOL OW 8570 2.547 1.012 0.665 + 2333SOL HW1 8571 2.616 0.996 0.735 + 2333SOL HW2 8572 2.474 1.069 0.703 + 2334SOL OW 8573 2.548 1.161 1.803 + 2334SOL HW1 8574 2.608 1.240 1.817 + 2334SOL HW2 8575 2.462 1.192 1.762 + 2335SOL OW 8576 2.197 1.435 1.061 + 2335SOL HW1 8577 2.119 1.404 1.008 + 2335SOL HW2 8578 2.255 1.493 1.004 + 2336SOL OW 8579 3.322 1.505 1.339 + 2336SOL HW1 8580 3.346 1.599 1.365 + 2336SOL HW2 8581 3.306 1.451 1.421 + 2337SOL OW 8582 2.300 0.392 1.499 + 2337SOL HW1 8583 2.382 0.336 1.508 + 2337SOL HW2 8584 2.219 0.334 1.503 + 2338SOL OW 8585 3.465 0.447 0.737 + 2338SOL HW1 8586 3.391 0.493 0.687 + 2338SOL HW2 8587 3.516 0.515 0.790 + 2339SOL OW 8588 2.093 1.713 0.483 + 2339SOL HW1 8589 2.127 1.790 0.537 + 2339SOL HW2 8590 2.137 1.713 0.393 + 2340SOL OW 8591 2.989 1.341 1.690 + 2340SOL HW1 8592 3.036 1.341 1.778 + 2340SOL HW2 8593 2.941 1.254 1.679 + 2341SOL OW 8594 2.092 1.434 0.538 + 2341SOL HW1 8595 2.066 1.530 0.538 + 2341SOL HW2 8596 2.021 1.380 0.583 + 2342SOL OW 8597 2.102 1.091 0.886 + 2342SOL HW1 8598 2.116 1.007 0.938 + 2342SOL HW2 8599 2.047 1.155 0.941 + 2343SOL OW 8600 2.482 1.786 1.439 + 2343SOL HW1 8601 2.390 1.769 1.474 + 2343SOL HW2 8602 2.510 1.878 1.465 + 2344SOL OW 8603 3.456 0.114 1.480 + 2344SOL HW1 8604 3.438 0.181 1.408 + 2344SOL HW2 8605 3.453 0.160 1.569 + 2345SOL OW 8606 1.984 0.643 0.563 + 2345SOL HW1 8607 1.939 0.555 0.580 + 2345SOL HW2 8608 1.983 0.697 0.647 + 2346SOL OW 8609 3.704 1.767 0.359 + 2346SOL HW1 8610 3.758 1.738 0.439 + 2346SOL HW2 8611 3.734 1.857 0.330 + 2347SOL OW 8612 1.889 1.596 0.117 + 2347SOL HW1 8613 1.870 1.500 0.138 + 2347SOL HW2 8614 1.856 1.654 0.192 + 2348SOL OW 8615 3.551 0.922 0.612 + 2348SOL HW1 8616 3.646 0.893 0.620 + 2348SOL HW2 8617 3.543 0.987 0.537 + 2349SOL OW 8618 3.503 1.108 0.432 + 2349SOL HW1 8619 3.589 1.110 0.380 + 2349SOL HW2 8620 3.517 1.155 0.520 + 2350SOL OW 8621 1.975 0.737 1.597 + 2350SOL HW1 8622 2.063 0.724 1.642 + 2350SOL HW2 8623 1.962 0.834 1.575 + 2351SOL OW 8624 2.475 1.365 0.726 + 2351SOL HW1 8625 2.426 1.278 0.735 + 2351SOL HW2 8626 2.452 1.408 0.639 + 2352SOL OW 8627 3.155 1.228 1.423 + 2352SOL HW1 8628 3.192 1.155 1.365 + 2352SOL HW2 8629 3.207 1.233 1.508 + 2353SOL OW 8630 2.671 0.004 0.502 + 2353SOL HW1 8631 2.711 0.095 0.493 + 2353SOL HW2 8632 2.571 0.012 0.508 + 2354SOL OW 8633 2.059 0.976 1.264 + 2354SOL HW1 8634 2.148 0.931 1.250 + 2354SOL HW2 8635 1.986 0.911 1.245 + 2355SOL OW 8636 3.387 0.999 0.190 + 2355SOL HW1 8637 3.324 0.923 0.203 + 2355SOL HW2 8638 3.435 1.017 0.276 + 2356SOL OW 8639 3.049 1.792 1.616 + 2356SOL HW1 8640 3.073 1.852 1.540 + 2356SOL HW2 8641 3.056 1.697 1.586 + 2357SOL OW 8642 2.179 0.251 1.801 + 2357SOL HW1 8643 2.250 0.322 1.807 + 2357SOL HW2 8644 2.091 0.290 1.829 + 2358SOL OW 8645 3.328 1.417 0.953 + 2358SOL HW1 8646 3.269 1.423 1.033 + 2358SOL HW2 8647 3.313 1.329 0.907 + 2359SOL OW 8648 3.529 1.714 0.572 + 2359SOL HW1 8649 3.488 1.691 0.484 + 2359SOL HW2 8650 3.511 1.640 0.637 + 2360SOL OW 8651 3.143 0.345 0.944 + 2360SOL HW1 8652 3.057 0.295 0.931 + 2360SOL HW2 8653 3.205 0.291 1.000 + 2361SOL OW 8654 3.438 1.662 0.307 + 2361SOL HW1 8655 3.527 1.708 0.310 + 2361SOL HW2 8656 3.417 1.638 0.212 + 2362SOL OW 8657 2.669 0.605 1.465 + 2362SOL HW1 8658 2.622 0.602 1.554 + 2362SOL HW2 8659 2.618 0.550 1.399 + 2363SOL OW 8660 3.256 0.469 1.674 + 2363SOL HW1 8661 3.236 0.512 1.762 + 2363SOL HW2 8662 3.334 0.407 1.683 + 2364SOL OW 8663 2.835 0.890 1.572 + 2364SOL HW1 8664 2.881 0.806 1.543 + 2364SOL HW2 8665 2.779 0.924 1.497 + 2365SOL OW 8666 2.853 0.410 1.242 + 2365SOL HW1 8667 2.776 0.444 1.296 + 2365SOL HW2 8668 2.819 0.359 1.163 + 2366SOL OW 8669 2.903 0.701 0.429 + 2366SOL HW1 8670 2.929 0.697 0.525 + 2366SOL HW2 8671 2.818 0.650 0.415 + 2367SOL OW 8672 1.938 0.811 0.789 + 2367SOL HW1 8673 2.037 0.799 0.798 + 2367SOL HW2 8674 1.914 0.906 0.810 + 2368SOL OW 8675 1.992 1.821 1.571 + 2368SOL HW1 8676 1.982 1.806 1.670 + 2368SOL HW2 8677 1.906 1.857 1.535 + 2369SOL OW 8678 3.581 0.585 1.831 + 2369SOL HW1 8679 3.555 0.674 1.795 + 2369SOL HW2 8680 3.579 0.517 1.758 + 2370SOL OW 8681 3.224 1.144 0.545 + 2370SOL HW1 8682 3.307 1.115 0.497 + 2370SOL HW2 8683 3.175 1.211 0.489 + 2371SOL OW 8684 2.412 0.196 0.885 + 2371SOL HW1 8685 2.407 0.191 0.985 + 2371SOL HW2 8686 2.414 0.292 0.856 + 2372SOL OW 8687 2.870 1.456 0.477 + 2372SOL HW1 8688 2.824 1.528 0.425 + 2372SOL HW2 8689 2.866 1.476 0.575 + 2373SOL OW 8690 2.213 1.801 0.853 + 2373SOL HW1 8691 2.263 1.715 0.859 + 2373SOL HW2 8692 2.278 1.878 0.850 + 2374SOL OW 8693 3.657 1.066 0.873 + 2374SOL HW1 8694 3.595 1.051 0.797 + 2374SOL HW2 8695 3.605 1.077 0.958 + 2375SOL OW 8696 3.089 1.550 1.506 + 2375SOL HW1 8697 3.095 1.473 1.570 + 2375SOL HW2 8698 3.037 1.524 1.426 + 2376SOL OW 8699 2.183 0.943 0.242 + 2376SOL HW1 8700 2.265 0.982 0.200 + 2376SOL HW2 8701 2.156 0.861 0.193 + 2377SOL OW 8702 3.320 0.735 0.728 + 2377SOL HW1 8703 3.315 0.670 0.803 + 2377SOL HW2 8704 3.400 0.794 0.741 + 2378SOL OW 8705 2.323 1.266 1.727 + 2378SOL HW1 8706 2.273 1.267 1.641 + 2378SOL HW2 8707 2.260 1.248 1.803 + 2379SOL OW 8708 2.064 0.285 1.498 + 2379SOL HW1 8709 1.984 0.345 1.485 + 2379SOL HW2 8710 2.054 0.236 1.584 + 2380SOL OW 8711 3.494 1.377 0.081 + 2380SOL HW1 8712 3.462 1.471 0.071 + 2380SOL HW2 8713 3.418 1.314 0.069 + 2381SOL OW 8714 2.326 1.743 0.323 + 2381SOL HW1 8715 2.359 1.782 0.409 + 2381SOL HW2 8716 2.402 1.736 0.258 + 2382SOL OW 8717 3.262 0.107 0.426 + 2382SOL HW1 8718 3.238 0.070 0.336 + 2382SOL HW2 8719 3.361 0.123 0.430 + 2383SOL OW 8720 2.111 1.785 1.241 + 2383SOL HW1 8721 2.168 1.720 1.291 + 2383SOL HW2 8722 2.095 1.752 1.148 + 2384SOL OW 8723 2.802 1.698 0.904 + 2384SOL HW1 8724 2.882 1.641 0.925 + 2384SOL HW2 8725 2.753 1.658 0.827 + 2385SOL OW 8726 2.244 0.700 0.480 + 2385SOL HW1 8727 2.289 0.610 0.477 + 2385SOL HW2 8728 2.150 0.689 0.513 + 2386SOL OW 8729 3.409 0.222 1.729 + 2386SOL HW1 8730 3.404 0.259 1.821 + 2386SOL HW2 8731 3.337 0.153 1.717 + 2387SOL OW 8732 2.643 0.264 1.749 + 2387SOL HW1 8733 2.710 0.203 1.792 + 2387SOL HW2 8734 2.570 0.283 1.814 + 2388SOL OW 8735 2.750 1.514 1.195 + 2388SOL HW1 8736 2.727 1.489 1.101 + 2388SOL HW2 8737 2.811 1.445 1.234 + 2389SOL OW 8738 3.213 0.590 1.433 + 2389SOL HW1 8739 3.241 0.547 1.518 + 2389SOL HW2 8740 3.238 0.686 1.434 + 2390SOL OW 8741 2.665 1.402 0.924 + 2390SOL HW1 8742 2.755 1.416 0.882 + 2390SOL HW2 8743 2.594 1.404 0.853 + 2391SOL OW 8744 2.784 0.503 0.899 + 2391SOL HW1 8745 2.759 0.494 0.803 + 2391SOL HW2 8746 2.832 0.421 0.930 + 2392SOL OW 8747 2.401 0.064 0.512 + 2392SOL HW1 8748 2.320 0.065 0.570 + 2392SOL HW2 8749 2.404 0.147 0.457 + 2393SOL OW 8750 2.159 0.035 0.171 + 2393SOL HW1 8751 2.208 0.119 0.150 + 2393SOL HW2 8752 2.221 -0.030 0.216 + 2394SOL OW 8753 2.797 0.236 0.480 + 2394SOL HW1 8754 2.749 0.277 0.402 + 2394SOL HW2 8755 2.896 0.234 0.461 + 2395SOL OW 8756 2.938 0.683 1.464 + 2395SOL HW1 8757 2.858 0.622 1.467 + 2395SOL HW2 8758 3.019 0.630 1.440 + 2396SOL OW 8759 3.089 1.570 0.793 + 2396SOL HW1 8760 3.110 1.644 0.728 + 2396SOL HW2 8761 3.157 1.570 0.866 + 2397SOL OW 8762 2.321 1.152 0.741 + 2397SOL HW1 8763 2.250 1.125 0.806 + 2397SOL HW2 8764 2.295 1.124 0.648 + 2398SOL OW 8765 3.133 1.797 0.591 + 2398SOL HW1 8766 3.177 1.861 0.527 + 2398SOL HW2 8767 3.083 1.849 0.661 + 2399SOL OW 8768 1.940 0.556 1.386 + 2399SOL HW1 8769 2.032 0.555 1.345 + 2399SOL HW2 8770 1.934 0.630 1.453 + 2400SOL OW 8771 2.423 0.222 1.147 + 2400SOL HW1 8772 2.461 0.138 1.184 + 2400SOL HW2 8773 2.335 0.241 1.191 + 2401SOL OW 8774 2.728 0.454 0.642 + 2401SOL HW1 8775 2.696 0.526 0.580 + 2401SOL HW2 8776 2.752 0.373 0.589 + 2402SOL OW 8777 2.879 0.039 0.753 + 2402SOL HW1 8778 2.807 0.044 0.684 + 2402SOL HW2 8779 2.855 -0.030 0.822 + 2403SOL OW 8780 3.291 1.173 0.867 + 2403SOL HW1 8781 3.236 1.089 0.860 + 2403SOL HW2 8782 3.317 1.202 0.775 + 2404SOL OW 8783 3.328 0.590 0.992 + 2404SOL HW1 8784 3.298 0.495 0.999 + 2404SOL HW2 8785 3.401 0.606 1.058 + 2405SOL OW 8786 3.719 0.833 0.377 + 2405SOL HW1 8787 3.761 0.769 0.441 + 2405SOL HW2 8788 3.681 0.782 0.299 + 2406SOL OW 8789 2.350 1.385 0.174 + 2406SOL HW1 8790 2.263 1.370 0.221 + 2406SOL HW2 8791 2.333 1.411 0.079 + 2407SOL OW 8792 3.526 1.280 0.657 + 2407SOL HW1 8793 3.625 1.288 0.671 + 2407SOL HW2 8794 3.481 1.364 0.688 + 2408SOL OW 8795 3.616 1.223 1.588 + 2408SOL HW1 8796 3.707 1.184 1.575 + 2408SOL HW2 8797 3.624 1.319 1.612 + 2409SOL OW 8798 2.926 1.347 1.340 + 2409SOL HW1 8799 2.846 1.324 1.395 + 2409SOL HW2 8800 3.009 1.321 1.389 + 2410SOL OW 8801 3.454 1.629 1.625 + 2410SOL HW1 8802 3.481 1.663 1.535 + 2410SOL HW2 8803 3.533 1.591 1.671 + 2411SOL OW 8804 2.973 1.195 1.100 + 2411SOL HW1 8805 2.933 1.239 1.181 + 2411SOL HW2 8806 2.932 1.232 1.017 + 2412SOL OW 8807 3.500 1.099 1.079 + 2412SOL HW1 8808 3.505 1.180 1.138 + 2412SOL HW2 8809 3.414 1.101 1.028 + 2413SOL OW 8810 2.777 0.089 1.402 + 2413SOL HW1 8811 2.802 0.069 1.307 + 2413SOL HW2 8812 2.849 0.145 1.444 + 2414SOL OW 8813 2.842 1.116 1.719 + 2414SOL HW1 8814 2.743 1.122 1.729 + 2414SOL HW2 8815 2.865 1.036 1.663 + 2415SOL OW 8816 2.567 1.050 0.368 + 2415SOL HW1 8817 2.553 1.057 0.467 + 2415SOL HW2 8818 2.651 0.999 0.350 + 2416SOL OW 8819 2.272 0.813 1.251 + 2416SOL HW1 8820 2.358 0.825 1.301 + 2416SOL HW2 8821 2.230 0.726 1.278 + 2417SOL OW 8822 3.136 0.386 1.262 + 2417SOL HW1 8823 3.157 0.460 1.326 + 2417SOL HW2 8824 3.047 0.403 1.219 + 2418SOL OW 8825 1.926 1.564 1.331 + 2418SOL HW1 8826 1.880 1.646 1.297 + 2418SOL HW2 8827 2.024 1.583 1.340 + 2419SOL OW 8828 2.229 1.100 0.501 + 2419SOL HW1 8829 2.222 1.183 0.445 + 2419SOL HW2 8830 2.233 1.020 0.441 + 2420SOL OW 8831 2.428 0.537 0.865 + 2420SOL HW1 8832 2.440 0.603 0.791 + 2420SOL HW2 8833 2.474 0.571 0.948 + 2421SOL OW 8834 3.114 1.348 0.388 + 2421SOL HW1 8835 3.164 1.425 0.428 + 2421SOL HW2 8836 3.019 1.350 0.420 + 2422SOL OW 8837 3.134 1.445 1.142 + 2422SOL HW1 8838 3.181 1.458 1.229 + 2422SOL HW2 8839 3.068 1.371 1.151 + 2423SOL OW 8840 3.444 0.639 0.472 + 2423SOL HW1 8841 3.413 0.700 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HW1 9168 2.066 1.530 2.400 + 2532SOL HW2 9169 2.021 1.380 2.445 + 2533SOL OW 9170 2.102 1.091 2.748 + 2533SOL HW1 9171 2.116 1.007 2.800 + 2533SOL HW2 9172 2.047 1.155 2.803 + 2534SOL OW 9173 2.482 1.786 3.301 + 2534SOL HW1 9174 2.390 1.769 3.336 + 2534SOL HW2 9175 2.510 1.878 3.327 + 2535SOL OW 9176 2.468 0.964 1.985 + 2535SOL HW1 9177 2.475 1.048 1.931 + 2535SOL HW2 9178 2.514 0.977 2.073 + 2536SOL OW 9179 3.456 0.114 3.342 + 2536SOL HW1 9180 3.438 0.181 3.270 + 2536SOL HW2 9181 3.453 0.160 3.431 + 2537SOL OW 9182 1.984 0.643 2.425 + 2537SOL HW1 9183 1.939 0.555 2.442 + 2537SOL HW2 9184 1.983 0.697 2.509 + 2538SOL OW 9185 3.704 1.767 2.221 + 2538SOL HW1 9186 3.758 1.738 2.301 + 2538SOL HW2 9187 3.734 1.857 2.192 + 2539SOL OW 9188 1.889 1.596 1.979 + 2539SOL HW1 9189 1.870 1.500 2.000 + 2539SOL HW2 9190 1.856 1.654 2.054 + 2540SOL OW 9191 3.551 0.922 2.474 + 2540SOL HW1 9192 3.646 0.893 2.482 + 2540SOL HW2 9193 3.543 0.987 2.399 + 2541SOL OW 9194 3.503 1.108 2.294 + 2541SOL HW1 9195 3.589 1.110 2.242 + 2541SOL HW2 9196 3.517 1.155 2.382 + 2542SOL OW 9197 1.975 0.737 3.459 + 2542SOL HW1 9198 2.063 0.724 3.504 + 2542SOL HW2 9199 1.962 0.834 3.437 + 2543SOL OW 9200 2.475 1.365 2.588 + 2543SOL HW1 9201 2.426 1.278 2.597 + 2543SOL HW2 9202 2.452 1.408 2.501 + 2544SOL OW 9203 3.155 1.228 3.285 + 2544SOL HW1 9204 3.192 1.155 3.227 + 2544SOL HW2 9205 3.207 1.233 3.370 + 2545SOL OW 9206 2.671 0.004 2.364 + 2545SOL HW1 9207 2.711 0.095 2.355 + 2545SOL HW2 9208 2.571 0.012 2.370 + 2546SOL OW 9209 2.059 0.976 3.126 + 2546SOL HW1 9210 2.148 0.931 3.112 + 2546SOL HW2 9211 1.986 0.911 3.107 + 2547SOL OW 9212 3.387 0.999 2.052 + 2547SOL HW1 9213 3.324 0.923 2.065 + 2547SOL HW2 9214 3.435 1.017 2.138 + 2548SOL OW 9215 3.049 1.792 3.478 + 2548SOL HW1 9216 3.073 1.852 3.402 + 2548SOL HW2 9217 3.056 1.697 3.448 + 2549SOL OW 9218 2.179 0.251 3.663 + 2549SOL HW1 9219 2.250 0.322 3.669 + 2549SOL HW2 9220 2.091 0.290 3.691 + 2550SOL OW 9221 3.328 1.417 2.815 + 2550SOL HW1 9222 3.269 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HW2 9304 3.361 0.123 2.292 + 2578SOL OW 9305 2.111 1.785 3.103 + 2578SOL HW1 9306 2.168 1.720 3.153 + 2578SOL HW2 9307 2.095 1.752 3.010 + 2579SOL OW 9308 2.802 1.698 2.766 + 2579SOL HW1 9309 2.882 1.641 2.787 + 2579SOL HW2 9310 2.753 1.658 2.689 + 2580SOL OW 9311 2.244 0.700 2.342 + 2580SOL HW1 9312 2.289 0.610 2.339 + 2580SOL HW2 9313 2.150 0.689 2.375 + 2581SOL OW 9314 3.409 0.222 3.591 + 2581SOL HW1 9315 3.404 0.259 3.683 + 2581SOL HW2 9316 3.337 0.153 3.579 + 2582SOL OW 9317 2.476 0.122 1.979 + 2582SOL HW1 9318 2.574 0.100 1.986 + 2582SOL HW2 9319 2.445 0.105 1.886 + 2583SOL OW 9320 2.643 0.264 3.611 + 2583SOL HW1 9321 2.710 0.203 3.654 + 2583SOL HW2 9322 2.570 0.283 3.676 + 2584SOL OW 9323 2.750 1.514 3.057 + 2584SOL HW1 9324 2.727 1.489 2.963 + 2584SOL HW2 9325 2.811 1.445 3.096 + 2585SOL OW 9326 3.213 0.590 3.295 + 2585SOL HW1 9327 3.241 0.547 3.380 + 2585SOL HW2 9328 3.238 0.686 3.296 + 2586SOL OW 9329 2.665 1.402 2.786 + 2586SOL HW1 9330 2.755 1.416 2.744 + 2586SOL HW2 9331 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9440 3.444 0.639 2.334 + 2623SOL HW1 9441 3.413 0.700 2.407 + 2623SOL HW2 9442 3.494 0.691 2.265 + 2624SOL OW 9443 2.216 1.510 3.191 + 2624SOL HW1 9444 2.195 1.466 3.104 + 2624SOL HW2 9445 2.313 1.536 3.194 + 2625SOL OW 9446 2.264 0.751 3.460 + 2625SOL HW1 9447 2.332 0.806 3.413 + 2625SOL HW2 9448 2.304 0.663 3.487 + 2626SOL OW 9449 3.449 0.779 3.532 + 2626SOL HW1 9450 3.357 0.817 3.527 + 2626SOL HW2 9451 3.509 0.826 3.467 + 2627SOL OW 9452 2.875 0.105 3.632 + 2627SOL HW1 9453 2.881 0.190 3.580 + 2627SOL HW2 9454 2.907 0.029 3.575 + 2628SOL OW 9455 2.366 0.050 3.602 + 2628SOL HW1 9456 2.324 -0.007 3.532 + 2628SOL HW2 9457 2.300 0.119 3.634 + 2629SOL OW 9458 2.435 0.870 2.891 + 2629SOL HW1 9459 2.479 0.959 2.882 + 2629SOL HW2 9460 2.372 0.870 2.968 + 2630SOL OW 9461 3.222 0.862 2.907 + 2630SOL HW1 9462 3.147 0.862 2.841 + 2630SOL HW2 9463 3.259 0.770 2.916 + 2631SOL OW 9464 3.071 0.525 2.137 + 2631SOL HW1 9465 3.084 0.441 2.191 + 2631SOL HW2 9466 3.042 0.599 2.197 + 2632SOL OW 9467 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6095SOL HW219858 5.979 3.355 2.866 + 6096SOL OW19859 6.024 2.254 3.361 + 6096SOL HW119860 6.106 2.198 3.370 + 6096SOL HW219861 5.943 2.196 3.365 + 6097SOL OW19862 5.817 3.575 2.345 + 6097SOL HW119863 5.851 3.652 2.399 + 6097SOL HW219864 5.861 3.575 2.255 + 6098SOL OW19865 5.816 3.296 2.400 + 6098SOL HW119866 5.790 3.392 2.400 + 6098SOL HW219867 5.745 3.242 2.445 + 6099SOL OW19868 5.826 2.953 2.748 + 6099SOL HW119869 5.840 2.869 2.800 + 6099SOL HW219870 5.771 3.017 2.803 + 6100SOL OW19871 6.206 3.648 3.301 + 6100SOL HW119872 6.114 3.631 3.336 + 6100SOL HW219873 6.234 3.740 3.327 + 6101SOL OW19874 6.192 2.826 1.985 + 6101SOL HW119875 6.199 2.910 1.931 + 6101SOL HW219876 6.238 2.839 2.073 + 6102SOL OW19877 5.708 2.505 2.425 + 6102SOL HW119878 5.663 2.417 2.442 + 6102SOL HW219879 5.707 2.559 2.509 + 6103SOL OW19880 5.613 3.458 1.979 + 6103SOL HW119881 5.594 3.362 2.000 + 6103SOL HW219882 5.580 3.516 2.054 + 6104SOL OW19883 5.699 2.599 3.459 + 6104SOL HW119884 5.787 2.586 3.504 + 6104SOL 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6141SOL OW19994 5.650 3.426 3.193 + 6141SOL HW119995 5.604 3.508 3.159 + 6141SOL HW219996 5.748 3.445 3.202 + 6142SOL OW19997 5.953 2.962 2.363 + 6142SOL HW119998 5.946 3.045 2.307 + 6142SOL HW219999 5.957 2.882 2.303 + 6143SOL OW20000 6.152 2.399 2.727 + 6143SOL HW120001 6.164 2.465 2.653 + 6143SOL HW220002 6.198 2.433 2.810 + 6144SOL OW20003 5.940 3.372 3.191 + 6144SOL HW120004 5.919 3.328 3.104 + 6144SOL HW220005 6.037 3.398 3.194 + 6145SOL OW20006 5.988 2.613 3.460 + 6145SOL HW120007 6.056 2.668 3.413 + 6145SOL HW220008 6.028 2.525 3.487 + 6146SOL OW20009 6.599 1.967 3.632 + 6146SOL HW120010 6.605 2.052 3.580 + 6146SOL HW220011 6.631 1.891 3.575 + 6147SOL OW20012 6.090 1.912 3.602 + 6147SOL HW120013 6.048 1.855 3.532 + 6147SOL HW220014 6.024 1.981 3.634 + 6148SOL OW20015 6.159 2.732 2.891 + 6148SOL HW120016 6.203 2.821 2.882 + 6148SOL HW220017 6.096 2.732 2.968 + 6149SOL OW20018 6.795 2.387 2.137 + 6149SOL HW120019 6.808 2.303 2.191 + 6149SOL HW220020 6.766 2.461 2.197 + 6150SOL 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5.065 + 6630SOL HW221463 6.293 5.288 4.963 + 6631SOL OW21464 5.625 4.801 4.024 + 6631SOL HW121465 5.724 4.790 4.015 + 6631SOL HW221466 5.585 4.715 4.056 + 6632SOL OW21467 6.461 5.370 4.061 + 6632SOL HW121468 6.384 5.335 4.007 + 6632SOL HW221469 6.429 5.441 4.123 + 6633SOL OW21470 5.811 5.861 0.996 + 6633SOL HW121471 5.846 5.844 1.088 + 6633SOL HW221472 5.723 5.816 0.984 + 6634SOL OW21473 5.605 5.954 0.647 + 6634SOL HW121474 5.523 5.997 0.686 + 6634SOL HW221475 5.577 5.881 0.584 + 6635SOL OW21476 6.024 5.978 1.499 + 6635SOL HW121477 6.106 5.922 1.508 + 6635SOL HW221478 5.943 5.920 1.503 + 6636SOL OW21479 6.395 5.590 0.502 + 6636SOL HW121480 6.435 5.681 0.493 + 6636SOL HW221481 6.295 5.598 0.508 + 6637SOL OW21482 5.903 5.837 1.801 + 6637SOL HW121483 5.974 5.908 1.807 + 6637SOL HW221484 5.815 5.876 1.829 + 6638SOL OW21485 6.577 5.996 1.242 + 6638SOL HW121486 6.500 6.030 1.296 + 6638SOL HW221487 6.543 5.945 1.163 + 6639SOL OW21488 6.136 5.782 0.885 + 6639SOL HW121489 6.131 5.777 0.985 + 6639SOL HW221490 6.138 5.878 0.856 + 6640SOL OW21491 5.788 5.871 1.498 + 6640SOL HW121492 5.708 5.931 1.485 + 6640SOL HW221493 5.778 5.822 1.584 + 6641SOL OW21494 6.367 5.850 1.749 + 6641SOL HW121495 6.434 5.789 1.792 + 6641SOL HW221496 6.294 5.869 1.814 + 6642SOL OW21497 6.508 6.089 0.899 + 6642SOL HW121498 6.483 6.080 0.803 + 6642SOL HW221499 6.556 6.007 0.930 + 6643SOL OW21500 6.125 5.650 0.512 + 6643SOL HW121501 6.044 5.651 0.570 + 6643SOL HW221502 6.128 5.733 0.457 + 6644SOL OW21503 5.883 5.621 0.171 + 6644SOL HW121504 5.932 5.705 0.150 + 6644SOL HW221505 5.945 5.556 0.216 + 6645SOL OW21506 6.147 5.808 1.147 + 6645SOL HW121507 6.185 5.724 1.184 + 6645SOL HW221508 6.059 5.827 1.191 + 6646SOL OW21509 6.603 5.625 0.753 + 6646SOL HW121510 6.531 5.630 0.684 + 6646SOL HW221511 6.579 5.556 0.822 + 6647SOL OW21512 6.501 5.675 1.402 + 6647SOL HW121513 6.526 5.655 1.307 + 6647SOL HW221514 6.573 5.731 1.444 + 6648SOL OW21515 6.599 5.691 1.770 + 6648SOL HW121516 6.605 5.776 1.718 + 6648SOL HW221517 6.631 5.615 1.713 + 6649SOL OW21518 6.090 5.636 1.740 + 6649SOL HW121519 6.048 5.579 1.670 + 6649SOL HW221520 6.024 5.705 1.772 + 6650SOL OW21521 6.795 6.111 0.275 + 6650SOL HW121522 6.808 6.027 0.329 + 6650SOL HW221523 6.766 6.185 0.335 + 6651SOL OW21524 5.893 5.799 1.231 + 6651SOL HW121525 5.870 5.836 1.321 + 6651SOL HW221526 5.863 5.704 1.225 + 6652SOL OW21527 6.318 6.220 1.064 + 6652SOL HW121528 6.377 6.194 0.988 + 6652SOL HW221529 6.290 6.316 1.053 + 6653SOL OW21530 5.893 5.649 0.618 + 6653SOL HW121531 5.882 5.743 0.651 + 6653SOL HW221532 5.888 5.586 0.695 + 6654SOL OW21533 5.925 6.095 1.006 + 6654SOL HW121534 5.873 6.012 0.989 + 6654SOL HW221535 6.002 6.100 0.942 + 6655SOL OW21536 5.626 6.130 1.114 + 6655SOL HW121537 5.711 6.097 1.073 + 6655SOL HW221538 5.639 6.145 1.212 + 6656SOL OW21539 5.775 6.106 1.722 + 6656SOL HW121540 5.834 6.066 1.652 + 6656SOL HW221541 5.717 6.177 1.681 + 6657SOL OW21542 6.257 6.050 1.269 + 6657SOL HW121543 6.223 5.961 1.239 + 6657SOL HW221544 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5.816 2.846 + 6667SOL OW21572 5.605 5.954 2.509 + 6667SOL HW121573 5.523 5.997 2.548 + 6667SOL HW221574 5.577 5.881 2.446 + 6668SOL OW21575 6.024 5.978 3.361 + 6668SOL HW121576 6.106 5.922 3.370 + 6668SOL HW221577 5.943 5.920 3.365 + 6669SOL OW21578 6.395 5.590 2.364 + 6669SOL HW121579 6.435 5.681 2.355 + 6669SOL HW221580 6.295 5.598 2.370 + 6670SOL OW21581 5.903 5.837 3.663 + 6670SOL HW121582 5.974 5.908 3.669 + 6670SOL HW221583 5.815 5.876 3.691 + 6671SOL OW21584 6.577 5.996 3.104 + 6671SOL HW121585 6.500 6.030 3.158 + 6671SOL HW221586 6.543 5.945 3.025 + 6672SOL OW21587 6.451 5.934 2.057 + 6672SOL HW121588 6.510 5.997 2.008 + 6672SOL HW221589 6.470 5.840 2.028 + 6673SOL OW21590 6.136 5.782 2.747 + 6673SOL HW121591 6.131 5.777 2.847 + 6673SOL HW221592 6.138 5.878 2.718 + 6674SOL OW21593 5.788 5.871 3.360 + 6674SOL HW121594 5.708 5.931 3.347 + 6674SOL HW221595 5.778 5.822 3.446 + 6675SOL OW21596 6.200 5.708 1.979 + 6675SOL HW121597 6.298 5.686 1.986 + 6675SOL HW221598 6.169 5.691 1.886 + 6676SOL OW21599 6.367 5.850 3.611 + 6676SOL HW121600 6.434 5.789 3.654 + 6676SOL HW221601 6.294 5.869 3.676 + 6677SOL OW21602 6.508 6.089 2.761 + 6677SOL HW121603 6.483 6.080 2.665 + 6677SOL HW221604 6.556 6.007 2.792 + 6678SOL OW21605 6.125 5.650 2.374 + 6678SOL HW121606 6.044 5.651 2.432 + 6678SOL HW221607 6.128 5.733 2.319 + 6679SOL OW21608 5.883 5.621 2.033 + 6679SOL HW121609 5.932 5.705 2.012 + 6679SOL HW221610 5.945 5.556 2.078 + 6680SOL OW21611 6.147 5.808 3.009 + 6680SOL HW121612 6.185 5.724 3.046 + 6680SOL HW221613 6.059 5.827 3.053 + 6681SOL OW21614 6.603 5.625 2.615 + 6681SOL HW121615 6.531 5.630 2.546 + 6681SOL HW221616 6.579 5.556 2.684 + 6682SOL OW21617 6.113 5.842 2.190 + 6682SOL HW121618 6.140 5.783 2.115 + 6682SOL HW221619 6.113 5.937 2.159 + 6683SOL OW21620 6.501 5.675 3.264 + 6683SOL HW121621 6.526 5.655 3.169 + 6683SOL HW221622 6.573 5.731 3.306 + 6684SOL OW21623 6.599 5.691 3.632 + 6684SOL HW121624 6.605 5.776 3.580 + 6684SOL HW221625 6.631 5.615 3.575 + 6685SOL OW21626 6.090 5.636 3.602 + 6685SOL HW121627 6.048 5.579 3.532 + 6685SOL HW221628 6.024 5.705 3.634 + 6686SOL OW21629 6.795 6.111 2.137 + 6686SOL HW121630 6.808 6.027 2.191 + 6686SOL HW221631 6.766 6.185 2.197 + 6687SOL OW21632 5.893 5.799 3.093 + 6687SOL HW121633 5.870 5.836 3.183 + 6687SOL HW221634 5.863 5.704 3.087 + 6688SOL OW21635 6.318 6.220 2.926 + 6688SOL HW121636 6.377 6.194 2.850 + 6688SOL HW221637 6.290 6.316 2.915 + 6689SOL OW21638 5.893 5.649 2.480 + 6689SOL HW121639 5.882 5.743 2.513 + 6689SOL HW221640 5.888 5.586 2.557 + 6690SOL OW21641 5.925 6.095 2.868 + 6690SOL HW121642 5.873 6.012 2.851 + 6690SOL HW221643 6.002 6.100 2.804 + 6691SOL OW21644 5.626 6.130 2.976 + 6691SOL HW121645 5.711 6.097 2.935 + 6691SOL HW221646 5.639 6.145 3.074 + 6692SOL OW21647 5.775 6.106 3.584 + 6692SOL HW121648 5.834 6.066 3.514 + 6692SOL HW221649 5.717 6.177 3.543 + 6693SOL OW21650 6.257 6.050 3.131 + 6693SOL HW121651 6.223 5.961 3.101 + 6693SOL HW221652 6.283 6.104 3.051 + 6694SOL OW21653 5.849 5.912 2.582 + 6694SOL HW121654 5.770 5.963 2.548 + 6694SOL HW221655 5.840 5.897 2.680 + 6695SOL OW21656 6.258 5.789 3.351 + 6695SOL HW121657 6.348 5.773 3.311 + 6695SOL HW221658 6.266 5.794 3.450 + 6696SOL OW21659 5.661 5.931 1.895 + 6696SOL HW121660 5.569 5.903 1.866 + 6696SOL HW221661 5.692 6.008 1.839 + 6697SOL OW21662 5.658 5.752 2.180 + 6697SOL HW121663 5.641 5.835 2.126 + 6697SOL HW221664 5.748 5.715 2.158 + 6698SOL OW21665 6.811 5.911 2.311 + 6698SOL HW121666 6.876 5.837 2.300 + 6698SOL HW221667 6.831 5.961 2.395 + 6699SOL OW21668 6.014 6.010 2.382 + 6699SOL HW121669 6.044 5.938 2.320 + 6699SOL HW221670 5.975 5.970 2.465 + 6700SOL OW21671 5.903 6.133 3.142 + 6700SOL HW121672 5.941 6.074 3.214 + 6700SOL HW221673 5.943 6.107 3.054 + 6701SOL OW21674 6.587 5.620 3.016 + 6701SOL HW121675 6.524 5.548 2.985 + 6701SOL HW221676 6.680 5.584 3.016 + 6702SOL OW21677 5.816 6.214 3.837 + 6702SOL HW121678 5.723 6.212 3.874 + 6702SOL HW221679 5.817 6.175 3.745 + 6703SOL OW21680 5.811 5.861 4.720 + 6703SOL HW121681 5.846 5.844 4.812 + 6703SOL HW221682 5.723 5.816 4.708 + 6704SOL OW21683 5.605 5.954 4.371 + 6704SOL HW121684 5.523 5.997 4.410 + 6704SOL HW221685 5.577 5.881 4.308 + 6705SOL OW21686 6.024 5.978 5.223 + 6705SOL HW121687 6.106 5.922 5.232 + 6705SOL HW221688 5.943 5.920 5.227 + 6706SOL OW21689 6.395 5.590 4.226 + 6706SOL HW121690 6.435 5.681 4.217 + 6706SOL HW221691 6.295 5.598 4.232 + 6707SOL OW21692 6.393 6.191 5.189 + 6707SOL HW121693 6.346 6.188 5.278 + 6707SOL HW221694 6.342 6.136 5.123 + 6708SOL OW21695 6.577 5.996 4.966 + 6708SOL HW121696 6.500 6.030 5.020 + 6708SOL HW221697 6.543 5.945 4.887 + 6709SOL OW21698 6.451 5.934 3.919 + 6709SOL HW121699 6.510 5.997 3.870 + 6709SOL HW221700 6.470 5.840 3.890 + 6710SOL OW21701 6.136 5.782 4.609 + 6710SOL HW121702 6.131 5.777 4.709 + 6710SOL HW221703 6.138 5.878 4.580 + 6711SOL OW21704 6.200 5.708 3.841 + 6711SOL HW121705 6.298 5.686 3.848 + 6711SOL HW221706 6.169 5.691 3.748 + 6712SOL OW21707 6.367 5.850 5.473 + 6712SOL HW121708 6.434 5.789 5.516 + 6712SOL HW221709 6.294 5.869 5.538 + 6713SOL OW21710 6.508 6.089 4.623 + 6713SOL HW121711 6.483 6.080 4.527 + 6713SOL HW221712 6.556 6.007 4.654 + 6714SOL OW21713 6.125 5.650 4.236 + 6714SOL HW121714 6.044 5.651 4.294 + 6714SOL HW221715 6.128 5.733 4.181 + 6715SOL OW21716 5.883 5.621 3.895 + 6715SOL HW121717 5.932 5.705 3.874 + 6715SOL HW221718 5.945 5.556 3.940 + 6716SOL OW21719 6.147 5.808 4.871 + 6716SOL HW121720 6.185 5.724 4.908 + 6716SOL HW221721 6.059 5.827 4.915 + 6717SOL OW21722 6.603 5.625 4.477 + 6717SOL HW121723 6.531 5.630 4.408 + 6717SOL HW221724 6.579 5.556 4.546 + 6718SOL OW21725 6.113 5.842 4.052 + 6718SOL HW121726 6.140 5.783 3.977 + 6718SOL HW221727 6.113 5.937 4.021 + 6719SOL OW21728 6.501 5.675 5.126 + 6719SOL HW121729 6.526 5.655 5.031 + 6719SOL HW221730 6.573 5.731 5.168 + 6720SOL OW21731 6.795 6.111 3.999 + 6720SOL HW121732 6.808 6.027 4.053 + 6720SOL HW221733 6.766 6.185 4.059 + 6721SOL OW21734 5.893 5.799 4.955 + 6721SOL HW121735 5.870 5.836 5.045 + 6721SOL HW221736 5.863 5.704 4.949 + 6722SOL OW21737 6.318 6.220 4.788 + 6722SOL HW121738 6.377 6.194 4.712 + 6722SOL HW221739 6.290 6.316 4.777 + 6723SOL OW21740 5.893 5.649 4.342 + 6723SOL HW121741 5.882 5.743 4.375 + 6723SOL HW221742 5.888 5.586 4.419 + 6724SOL OW21743 5.925 6.095 4.730 + 6724SOL HW121744 5.873 6.012 4.713 + 6724SOL HW221745 6.002 6.100 4.666 + 6725SOL OW21746 5.626 6.130 4.838 + 6725SOL HW121747 5.711 6.097 4.797 + 6725SOL HW221748 5.639 6.145 4.936 + 6726SOL OW21749 6.257 6.050 4.993 + 6726SOL HW121750 6.223 5.961 4.963 + 6726SOL HW221751 6.283 6.104 4.913 + 6727SOL OW21752 5.849 5.912 4.444 + 6727SOL HW121753 5.770 5.963 4.410 + 6727SOL HW221754 5.840 5.897 4.542 + 6728SOL OW21755 6.258 5.789 5.213 + 6728SOL HW121756 6.348 5.773 5.173 + 6728SOL HW221757 6.266 5.794 5.312 + 6729SOL OW21758 5.661 5.931 3.757 + 6729SOL HW121759 5.569 5.903 3.728 + 6729SOL HW221760 5.692 6.008 3.701 + 6730SOL OW21761 5.658 5.752 4.042 + 6730SOL HW121762 5.641 5.835 3.988 + 6730SOL HW221763 5.748 5.715 4.020 + 6731SOL OW21764 6.811 5.911 4.173 + 6731SOL HW121765 6.876 5.837 4.162 + 6731SOL HW221766 6.831 5.961 4.257 + 6732SOL OW21767 6.014 6.010 4.244 + 6732SOL HW121768 6.044 5.938 4.182 + 6732SOL HW221769 5.975 5.970 4.327 + 6733SOL OW21770 5.903 6.133 5.004 + 6733SOL HW121771 5.941 6.074 5.076 + 6733SOL HW221772 5.943 6.107 4.916 + 6734SOL OW21773 6.587 5.620 4.878 + 6734SOL HW121774 6.524 5.548 4.847 + 6734SOL HW221775 6.680 5.584 4.878 + 6.61010 6.23211 5.39733 0.00000 0.00000 2.20323 0.00000 -2.20323 3.11577 diff --git a/biobb_wf_md_setup/tests/python/reference/step6_solvate/solvate_top.zip b/biobb_wf_md_setup/tests/python/reference/step6_solvate/solvate_top.zip new file mode 100644 index 0000000..eeb64f6 Binary files /dev/null and b/biobb_wf_md_setup/tests/python/reference/step6_solvate/solvate_top.zip differ diff --git a/biobb_wf_md_setup/tests/python/reference/step7_grompp_genion/gppion.tpr b/biobb_wf_md_setup/tests/python/reference/step7_grompp_genion/gppion.tpr new file mode 100644 index 0000000..d7837d6 Binary files /dev/null and b/biobb_wf_md_setup/tests/python/reference/step7_grompp_genion/gppion.tpr differ diff --git a/biobb_wf_md_setup/tests/python/reference/step8_genion/genion.gro b/biobb_wf_md_setup/tests/python/reference/step8_genion/genion.gro new file mode 100644 index 0000000..db0d676 --- /dev/null +++ b/biobb_wf_md_setup/tests/python/reference/step8_genion/genion.gro @@ -0,0 +1,21734 @@ +Protein in water +21731 + 1LYS N 1 4.061 4.420 1.483 + 1LYS H1 2 3.997 4.400 1.409 + 1LYS H2 3 4.015 4.471 1.555 + 1LYS H3 4 4.136 4.475 1.447 + 1LYS CA 5 4.114 4.293 1.538 + 1LYS HA 6 4.157 4.241 1.465 + 1LYS CB 7 4.212 4.330 1.650 + 1LYS HB1 8 4.163 4.387 1.717 + 1LYS HB2 9 4.287 4.381 1.611 + 1LYS CG 10 4.269 4.211 1.725 + 1LYS HG1 11 4.294 4.140 1.658 + 1LYS HG2 12 4.201 4.175 1.787 + 1LYS CD 13 4.393 4.251 1.804 + 1LYS HD1 14 4.373 4.333 1.857 + 1LYS HD2 15 4.470 4.269 1.741 + 1LYS CE 16 4.431 4.137 1.897 + 1LYS HE1 17 4.431 4.050 1.848 + 1LYS HE2 18 4.365 4.132 1.973 + 1LYS NZ 19 4.567 4.163 1.951 + 1LYS HZ1 20 4.594 4.089 2.013 + 1LYS HZ2 21 4.633 4.168 1.875 + 1LYS HZ3 22 4.567 4.250 2.001 + 1LYS C 23 3.999 4.212 1.597 + 1LYS O 24 3.920 4.267 1.673 + 2VAL N 25 3.999 4.082 1.577 + 2VAL H 26 4.061 4.046 1.507 + 2VAL CA 27 3.914 3.986 1.648 + 2VAL HA 28 3.842 4.038 1.691 + 2VAL CB 29 3.839 3.889 1.558 + 2VAL HB 30 3.911 3.838 1.511 + 2VAL CG1 31 3.750 3.794 1.638 + 2VAL HG11 32 3.701 3.733 1.575 + 2VAL HG12 33 3.806 3.741 1.700 + 2VAL HG13 34 3.682 3.847 1.690 + 2VAL CG2 35 3.753 3.957 1.452 + 2VAL HG21 36 3.707 3.888 1.397 + 2VAL HG22 37 3.687 4.016 1.496 + 2VAL HG23 38 3.812 4.013 1.393 + 2VAL C 39 4.004 3.917 1.752 + 2VAL O 40 4.101 3.847 1.715 + 3PHE N 41 3.974 3.941 1.877 + 3PHE H 42 3.899 4.005 1.897 + 3PHE CA 43 4.043 3.876 1.989 + 3PHE HA 44 4.140 3.883 1.964 + 3PHE CB 45 4.022 3.949 2.122 + 3PHE HB1 46 4.030 3.884 2.197 + 3PHE HB2 47 3.930 3.988 2.123 + 3PHE CG 48 4.119 4.060 2.143 + 3PHE CD1 49 4.091 4.191 2.101 + 3PHE HD1 50 4.005 4.211 2.054 + 3PHE CE1 51 4.182 4.294 2.124 + 3PHE HE1 52 4.173 4.381 2.077 + 3PHE CZ 53 4.288 4.273 2.214 + 3PHE HZ 54 4.346 4.350 2.242 + 3PHE CE2 55 4.312 4.145 2.265 + 3PHE HE2 56 4.391 4.128 2.324 + 3PHE CD2 57 4.225 4.042 2.234 + 3PHE HD2 58 4.238 3.952 2.276 + 3PHE C 59 3.999 3.730 2.004 + 3PHE O 60 3.876 3.702 1.995 + 4GLY N 61 4.096 3.650 2.048 + 4GLY H 62 4.192 3.681 2.049 + 4GLY CA 63 4.062 3.514 2.094 + 4GLY HA1 64 4.141 3.454 2.087 + 4GLY HA2 65 3.987 3.478 2.038 + 4GLY C 66 4.016 3.528 2.239 + 4GLY O 67 4.055 3.626 2.303 + 5ARG N 68 3.930 3.440 2.284 + 5ARG H 69 3.895 3.370 2.221 + 5ARG CA 70 3.881 3.440 2.422 + 5ARG HA 71 3.822 3.520 2.429 + 5ARG CB 72 3.800 3.312 2.448 + 5ARG HB1 73 3.861 3.233 2.434 + 5ARG HB2 74 3.724 3.308 2.384 + 5ARG CG 75 3.746 3.306 2.589 + 5ARG HG1 76 3.690 3.387 2.606 + 5ARG HG2 77 3.822 3.303 2.654 + 5ARG CD 78 3.662 3.186 2.609 + 5ARG HD1 79 3.585 3.191 2.546 + 5ARG HD2 80 3.628 3.185 2.703 + 5ARG NE 81 3.730 3.061 2.585 + 5ARG HE 82 3.727 3.026 2.492 + 5ARG CZ 83 3.797 2.987 2.671 + 5ARG NH1 84 3.809 3.019 2.800 + 5ARG HH11 85 3.763 3.102 2.834 + 5ARG HH12 86 3.861 2.961 2.862 + 5ARG NH2 87 3.849 2.870 2.628 + 5ARG HH21 88 3.836 2.841 2.534 + 5ARG HH22 89 3.901 2.812 2.691 + 5ARG C 90 3.991 3.459 2.525 + 5ARG O 91 3.991 3.551 2.611 + 6CYS N 92 4.091 3.371 2.520 + 6CYS H 93 4.091 3.302 2.448 + 6CYS CA 94 4.202 3.373 2.616 + 6CYS HA 95 4.155 3.388 2.703 + 6CYS CB 96 4.273 3.239 2.619 + 6CYS HB1 97 4.359 3.258 2.668 + 6CYS HB2 98 4.294 3.220 2.523 + 6CYS SG 99 4.179 3.106 2.695 + 6CYS C 100 4.299 3.491 2.603 + 6CYS O 101 4.339 3.547 2.707 + 7GLU N 102 4.311 3.534 2.479 + 7GLU H 103 4.265 3.486 2.405 + 7GLU CA 104 4.392 3.655 2.450 + 7GLU HA 105 4.484 3.641 2.488 + 7GLU CB 106 4.403 3.671 2.299 + 7GLU HB1 107 4.310 3.675 2.264 + 7GLU HB2 108 4.448 3.588 2.264 + 7GLU CG 109 4.478 3.791 2.243 + 7GLU HG1 110 4.574 3.784 2.274 + 7GLU HG2 111 4.438 3.873 2.282 + 7GLU CD 112 4.483 3.810 2.094 + 7GLU OE1 113 4.391 3.750 2.032 + 7GLU OE2 114 4.567 3.881 2.043 + 7GLU C 115 4.330 3.779 2.515 + 7GLU O 116 4.398 3.859 2.580 + 8LEU N 117 4.199 3.791 2.499 + 8LEU H 118 4.150 3.721 2.446 + 8LEU CA 119 4.121 3.902 2.556 + 8LEU HA 120 4.165 3.987 2.525 + 8LEU CB 121 3.977 3.903 2.500 + 8LEU HB1 122 3.931 3.819 2.528 + 8LEU HB2 123 3.981 3.908 2.400 + 8LEU CG 124 3.897 4.021 2.550 + 8LEU HG 125 3.902 4.028 2.650 + 8LEU CD1 126 3.954 4.152 2.497 + 8LEU HD11 127 3.901 4.229 2.531 + 8LEU HD12 128 4.049 4.161 2.528 + 8LEU HD13 129 3.951 4.151 2.397 + 8LEU CD2 130 3.750 4.000 2.521 + 8LEU HD21 131 3.697 4.079 2.555 + 8LEU HD22 132 3.736 3.991 2.423 + 8LEU HD23 133 3.717 3.917 2.567 + 8LEU C 134 4.129 3.899 2.708 + 8LEU O 135 4.141 4.003 2.773 + 9ALA N 136 4.100 3.784 2.764 + 9ALA H 137 4.070 3.708 2.705 + 9ALA CA 138 4.109 3.762 2.909 + 9ALA HA 139 4.032 3.812 2.950 + 9ALA CB 140 4.090 3.615 2.943 + 9ALA HB1 141 4.096 3.602 3.042 + 9ALA HB2 142 4.001 3.584 2.911 + 9ALA HB3 143 4.161 3.561 2.899 + 9ALA C 144 4.239 3.817 2.965 + 9ALA O 145 4.240 3.884 3.071 + 10ALA N 146 4.352 3.784 2.901 + 10ALA H 147 4.345 3.725 2.821 + 10ALA CA 148 4.485 3.829 2.943 + 10ALA HA 149 4.494 3.805 3.039 + 10ALA CB 150 4.595 3.757 2.865 + 10ALA HB1 151 4.685 3.789 2.896 + 10ALA HB2 152 4.589 3.658 2.882 + 10ALA HB3 153 4.584 3.775 2.767 + 10ALA C 154 4.498 3.980 2.927 + 10ALA O 155 4.543 4.036 3.028 + 11ALA N 156 4.448 4.038 2.820 + 11ALA H 157 4.405 3.981 2.748 + 11ALA CA 158 4.451 4.184 2.803 + 11ALA HA 159 4.548 4.209 2.814 + 11ALA CB 160 4.411 4.228 2.663 + 11ALA HB1 161 4.416 4.328 2.657 + 11ALA HB2 162 4.475 4.188 2.597 + 11ALA HB3 163 4.319 4.197 2.644 + 11ALA C 164 4.373 4.256 2.913 + 11ALA O 165 4.419 4.352 2.976 + 12MET N 166 4.253 4.207 2.940 + 12MET H 167 4.221 4.128 2.888 + 12MET CA 168 4.165 4.264 3.042 + 12MET HA 169 4.159 4.361 3.020 + 12MET CB 170 4.023 4.207 3.033 + 12MET HB1 171 3.970 4.236 3.112 + 12MET HB2 172 4.029 4.107 3.029 + 12MET CG 173 3.957 4.258 2.908 + 12MET HG1 174 4.015 4.230 2.831 + 12MET HG2 175 3.957 4.358 2.914 + 12MET SD 176 3.787 4.185 2.904 + 12MET CE 177 3.704 4.300 2.795 + 12MET HE1 178 3.609 4.271 2.784 + 12MET HE2 179 3.707 4.391 2.834 + 12MET HE3 180 3.749 4.300 2.706 + 12MET C 181 4.223 4.258 3.182 + 12MET O 182 4.215 4.350 3.265 + 13LYS N 183 4.293 4.149 3.212 + 13LYS H 184 4.299 4.077 3.143 + 13LYS CA 185 4.364 4.125 3.339 + 13LYS HA 186 4.299 4.132 3.416 + 13LYS CB 187 4.418 3.981 3.338 + 13LYS HB1 188 4.477 3.971 3.258 + 13LYS HB2 189 4.340 3.918 3.331 + 13LYS CG 190 4.498 3.941 3.461 + 13LYS HG1 191 4.534 4.025 3.504 + 13LYS HG2 192 4.576 3.885 3.431 + 13LYS CD 193 4.422 3.864 3.564 + 13LYS HD1 194 4.324 3.877 3.549 + 13LYS HD2 195 4.446 3.897 3.655 + 13LYS CE 196 4.453 3.717 3.556 + 13LYS HE1 197 4.521 3.693 3.627 + 13LYS HE2 198 4.492 3.696 3.466 + 13LYS NZ 199 4.332 3.632 3.576 + 13LYS HZ1 200 4.358 3.536 3.569 + 13LYS HZ2 201 4.293 3.651 3.666 + 13LYS HZ3 202 4.265 3.654 3.505 + 13LYS C 203 4.470 4.233 3.354 + 13LYS O 204 4.476 4.300 3.459 + 14ARG N 205 4.551 4.249 3.250 + 14ARG H 206 4.536 4.195 3.167 + 14ARG CA 207 4.663 4.344 3.252 + 14ARG HA 208 4.714 4.321 3.336 + 14ARG CB 209 4.764 4.321 3.141 + 14ARG HB1 210 4.764 4.223 3.121 + 14ARG HB2 211 4.852 4.348 3.176 + 14ARG CG 212 4.741 4.394 3.010 + 14ARG HG1 213 4.714 4.488 3.028 + 14ARG HG2 214 4.669 4.348 2.958 + 14ARG CD 215 4.869 4.393 2.930 + 14ARG HD1 216 4.945 4.423 2.987 + 14ARG HD2 217 4.860 4.455 2.852 + 14ARG NE 218 4.893 4.257 2.882 + 14ARG HE 219 4.955 4.197 2.934 + 14ARG CZ 220 4.834 4.212 2.770 + 14ARG NH1 221 4.793 4.305 2.683 + 14ARG HH11 222 4.808 4.402 2.703 + 14ARG HH12 223 4.749 4.277 2.598 + 14ARG NH2 224 4.819 4.082 2.750 + 14ARG HH21 225 4.852 4.016 2.818 + 14ARG HH22 226 4.775 4.049 2.666 + 14ARG C 227 4.617 4.488 3.269 + 14ARG O 228 4.681 4.569 3.339 + 15HIS N 229 4.492 4.511 3.227 + 15HIS H 230 4.438 4.435 3.191 + 15HIS CA 231 4.432 4.645 3.234 + 15HIS HA 232 4.512 4.705 3.235 + 15HIS CB 233 4.346 4.678 3.109 + 15HIS HB1 234 4.281 4.750 3.131 + 15HIS HB2 235 4.298 4.596 3.079 + 15HIS CG 236 4.432 4.725 2.998 + 15HIS ND1 237 4.470 4.650 2.890 + 15HIS CE1 238 4.545 4.717 2.807 + 15HIS HE1 239 4.574 4.690 2.715 + 15HIS NE2 240 4.576 4.828 2.870 + 15HIS HE2 241 4.648 4.892 2.841 + 15HIS CD2 242 4.498 4.843 2.980 + 15HIS HD2 243 4.490 4.925 3.037 + 15HIS C 244 4.356 4.672 3.362 + 15HIS O 245 4.286 4.774 3.376 + 16GLY N 246 4.354 4.579 3.453 + 16GLY H 247 4.393 4.491 3.427 + 16GLY CA 248 4.300 4.588 3.588 + 16GLY HA1 249 4.324 4.680 3.621 + 16GLY HA2 250 4.350 4.520 3.643 + 16GLY C 251 4.150 4.566 3.602 + 16GLY O 252 4.089 4.626 3.694 + 17LEU N 253 4.090 4.493 3.508 + 17LEU H 254 4.147 4.456 3.434 + 17LEU CA 255 3.948 4.466 3.511 + 17LEU HA 256 3.911 4.550 3.550 + 17LEU CB 257 3.889 4.451 3.371 + 17LEU HB1 258 3.799 4.408 3.381 + 17LEU HB2 259 3.950 4.390 3.320 + 17LEU CG 260 3.869 4.575 3.287 + 17LEU HG 261 3.957 4.622 3.279 + 17LEU CD1 262 3.818 4.528 3.151 + 17LEU HD11 263 3.803 4.607 3.092 + 17LEU HD12 264 3.885 4.467 3.110 + 17LEU HD13 265 3.731 4.479 3.164 + 17LEU CD2 266 3.780 4.681 3.349 + 17LEU HD21 267 3.773 4.759 3.287 + 17LEU HD22 268 3.690 4.642 3.365 + 17LEU HD23 269 3.819 4.711 3.436 + 17LEU C 270 3.909 4.354 3.608 + 17LEU O 271 3.789 4.345 3.636 + 18ASP N 272 4.003 4.267 3.642 + 18ASP H 273 4.095 4.277 3.604 + 18ASP CA 274 3.974 4.158 3.734 + 18ASP HA 275 3.897 4.114 3.688 + 18ASP CB 276 4.081 4.049 3.741 + 18ASP HB1 277 4.160 4.084 3.791 + 18ASP HB2 278 4.108 4.024 3.648 + 18ASP CG 279 4.027 3.927 3.812 + 18ASP OD1 280 3.905 3.901 3.826 + 18ASP OD2 281 4.116 3.846 3.847 + 18ASP C 282 3.925 4.208 3.871 + 18ASP O 283 4.008 4.264 3.947 + 19ASN N 284 3.799 4.185 3.901 + 19ASN H 285 3.743 4.135 3.836 + 19ASN CA 286 3.737 4.229 4.026 + 19ASN HA 287 3.654 4.175 4.015 + 19ASN CB 288 3.802 4.186 4.158 + 19ASN HB1 289 3.897 4.217 4.156 + 19ASN HB2 290 3.799 4.087 4.162 + 19ASN CG 291 3.740 4.237 4.287 + 19ASN OD1 292 3.622 4.213 4.316 + 19ASN ND2 293 3.809 4.322 4.366 + 19ASN HD21 294 3.901 4.352 4.340 + 19ASN HD22 295 3.769 4.355 4.451 + 19ASN C 296 3.710 4.380 4.031 + 19ASN O 297 3.668 4.426 4.138 + 20TYR N 298 3.721 4.451 3.922 + 20TYR H 299 3.749 4.406 3.836 + 20TYR CA 300 3.695 4.596 3.922 + 20TYR HA 301 3.754 4.636 3.992 + 20TYR CB 302 3.731 4.660 3.788 + 20TYR HB1 303 3.665 4.631 3.719 + 20TYR HB2 304 3.822 4.629 3.761 + 20TYR CG 305 3.730 4.811 3.795 + 20TYR CD1 306 3.839 4.875 3.857 + 20TYR HD1 307 3.911 4.820 3.899 + 20TYR CE1 308 3.845 5.014 3.860 + 20TYR HE1 309 3.928 5.060 3.892 + 20TYR CZ 310 3.734 5.088 3.819 + 20TYR OH 311 3.739 5.223 3.834 + 20TYR HH 312 3.652 5.262 3.800 + 20TYR CE2 313 3.626 5.026 3.759 + 20TYR HE2 314 3.552 5.081 3.722 + 20TYR CD2 315 3.622 4.886 3.750 + 20TYR HD2 316 3.543 4.841 3.711 + 20TYR C 317 3.547 4.620 3.957 + 20TYR O 318 3.454 4.573 3.893 + 21ARG N 319 3.533 4.700 4.061 + 21ARG H 320 3.615 4.734 4.107 + 21ARG CA 321 3.401 4.741 4.113 + 21ARG HA 322 3.421 4.791 4.197 + 21ARG CB 323 3.326 4.843 4.026 + 21ARG HB1 324 3.230 4.842 4.054 + 21ARG HB2 325 3.332 4.813 3.931 + 21ARG CG 326 3.375 4.985 4.035 + 21ARG HG1 327 3.339 5.035 3.955 + 21ARG HG2 328 3.476 4.984 4.031 + 21ARG CD 329 3.336 5.061 4.158 + 21ARG HD1 330 3.293 5.001 4.225 + 21ARG HD2 331 3.272 5.135 4.135 + 21ARG NE 332 3.457 5.118 4.213 + 21ARG HE 333 3.478 5.077 4.302 + 21ARG CZ 334 3.546 5.209 4.179 + 21ARG NH1 335 3.674 5.172 4.166 + 21ARG HH11 336 3.701 5.076 4.182 + 21ARG HH12 337 3.744 5.239 4.140 + 21ARG NH2 338 3.519 5.330 4.130 + 21ARG HH21 339 3.424 5.358 4.118 + 21ARG HH22 340 3.592 5.392 4.107 + 21ARG C 341 3.320 4.617 4.143 + 21ARG O 342 3.197 4.619 4.142 + 22GLY N 343 3.394 4.511 4.181 + 22GLY H 344 3.493 4.516 4.173 + 22GLY CA 345 3.335 4.388 4.233 + 22GLY HA1 346 3.253 4.413 4.283 + 22GLY HA2 347 3.401 4.347 4.296 + 22GLY C 348 3.299 4.288 4.125 + 22GLY O 349 3.233 4.188 4.159 + 23TYR N 350 3.345 4.309 4.003 + 23TYR H 351 3.404 4.389 3.985 + 23TYR CA 352 3.313 4.218 3.892 + 23TYR HA 353 3.244 4.156 3.931 + 23TYR CB 354 3.260 4.297 3.772 + 23TYR HB1 355 3.251 4.235 3.694 + 23TYR HB2 356 3.325 4.369 3.751 + 23TYR CG 357 3.125 4.360 3.794 + 23TYR CD1 358 3.010 4.282 3.795 + 23TYR HD1 359 3.016 4.184 3.775 + 23TYR CE1 360 2.885 4.338 3.823 + 23TYR HE1 361 2.803 4.281 3.823 + 23TYR CZ 362 2.876 4.474 3.851 + 23TYR OH 363 2.753 4.530 3.872 + 23TYR HH 364 2.763 4.627 3.891 + 23TYR CE2 365 2.990 4.553 3.854 + 23TYR HE2 366 2.983 4.651 3.874 + 23TYR CD2 367 3.115 4.496 3.827 + 23TYR HD2 368 3.197 4.552 3.831 + 23TYR C 369 3.437 4.139 3.844 + 23TYR O 370 3.529 4.205 3.795 + 24SER N 371 3.428 4.008 3.862 + 24SER H 372 3.345 3.969 3.903 + 24SER CA 373 3.539 3.921 3.822 + 24SER HA 374 3.619 3.957 3.868 + 24SER CB 375 3.516 3.779 3.872 + 24SER HB1 376 3.501 3.779 3.971 + 24SER HB2 377 3.595 3.722 3.850 + 24SER OG 378 3.405 3.720 3.812 + 24SER HG 379 3.394 3.627 3.847 + 24SER C 380 3.560 3.924 3.670 + 24SER O 381 3.468 3.955 3.595 + 25LEU N 382 3.684 3.889 3.635 + 25LEU H 383 3.747 3.857 3.705 + 25LEU CA 384 3.728 3.895 3.495 + 25LEU HA 385 3.733 3.991 3.468 + 25LEU CB 386 3.865 3.827 3.489 + 25LEU HB1 387 3.855 3.731 3.515 + 25LEU HB2 388 3.928 3.872 3.553 + 25LEU CG 389 3.925 3.834 3.350 + 25LEU HG 390 3.866 3.788 3.283 + 25LEU CD1 391 3.941 3.979 3.310 + 25LEU HD11 392 3.981 3.984 3.218 + 25LEU HD12 393 3.852 4.023 3.310 + 25LEU HD13 394 4.003 4.025 3.375 + 25LEU CD2 395 4.064 3.767 3.356 + 25LEU HD21 396 4.107 3.770 3.266 + 25LEU HD22 397 4.122 3.816 3.422 + 25LEU HD23 398 4.055 3.672 3.385 + 25LEU C 399 3.628 3.830 3.399 + 25LEU O 400 3.612 3.878 3.287 + 26GLY N 401 3.575 3.714 3.439 + 26GLY H 402 3.602 3.676 3.527 + 26GLY CA 403 3.478 3.642 3.357 + 26GLY HA1 404 3.445 3.565 3.411 + 26GLY HA2 405 3.529 3.608 3.277 + 26GLY C 406 3.359 3.724 3.309 + 26GLY O 407 3.313 3.711 3.193 + 27ASN N 408 3.315 3.814 3.397 + 27ASN H 409 3.358 3.817 3.487 + 27ASN CA 410 3.207 3.909 3.367 + 27ASN HA 411 3.126 3.853 3.349 + 27ASN CB 412 3.172 3.999 3.486 + 27ASN HB1 413 3.118 4.077 3.456 + 27ASN HB2 414 3.257 4.032 3.530 + 27ASN CG 415 3.092 3.913 3.586 + 27ASN OD1 416 2.976 3.879 3.563 + 27ASN ND2 417 3.159 3.891 3.698 + 27ASN HD21 418 3.250 3.929 3.710 + 27ASN HD22 419 3.118 3.837 3.771 + 27ASN C 420 3.240 3.987 3.241 + 27ASN O 421 3.157 4.007 3.153 + 28TRP N 422 3.359 4.045 3.239 + 28TRP H 423 3.421 4.028 3.316 + 28TRP CA 424 3.408 4.133 3.132 + 28TRP HA 425 3.341 4.205 3.113 + 28TRP CB 426 3.534 4.200 3.183 + 28TRP HB1 427 3.570 4.260 3.111 + 28TRP HB2 428 3.602 4.129 3.204 + 28TRP CG 429 3.519 4.284 3.306 + 28TRP CD1 430 3.543 4.248 3.436 + 28TRP HD1 431 3.573 4.158 3.466 + 28TRP NE1 432 3.516 4.355 3.517 + 28TRP HE1 433 3.539 4.359 3.615 + 28TRP CE2 434 3.458 4.454 3.445 + 28TRP CZ2 435 3.415 4.580 3.485 + 28TRP HZ2 436 3.420 4.610 3.580 + 28TRP CH2 437 3.368 4.663 3.383 + 28TRP HH2 438 3.333 4.753 3.409 + 28TRP CZ3 439 3.365 4.626 3.249 + 28TRP HZ3 440 3.326 4.689 3.181 + 28TRP CE3 441 3.414 4.503 3.211 + 28TRP HE3 442 3.420 4.478 3.114 + 28TRP CD2 443 3.457 4.414 3.310 + 28TRP C 444 3.418 4.060 2.999 + 28TRP O 445 3.398 4.118 2.890 + 29VAL N 446 3.481 3.940 3.007 + 29VAL H 447 3.517 3.908 3.095 + 29VAL CA 448 3.497 3.857 2.886 + 29VAL HA 449 3.542 3.915 2.817 + 29VAL CB 450 3.589 3.735 2.917 + 29VAL HB 451 3.553 3.678 2.990 + 29VAL CG1 452 3.602 3.646 2.795 + 29VAL HG11 453 3.661 3.568 2.816 + 29VAL HG12 454 3.513 3.612 2.768 + 29VAL HG13 455 3.642 3.698 2.719 + 29VAL CG2 456 3.726 3.791 2.958 + 29VAL HG21 457 3.787 3.715 2.979 + 29VAL HG22 458 3.763 3.845 2.883 + 29VAL HG23 459 3.714 3.849 3.039 + 29VAL C 460 3.362 3.820 2.824 + 29VAL O 461 3.342 3.836 2.704 + 30CYS N 462 3.274 3.777 2.911 + 30CYS H 463 3.305 3.766 3.006 + 30CYS CA 464 3.136 3.743 2.880 + 30CYS HA 465 3.145 3.666 2.817 + 30CYS CB 466 3.059 3.691 2.998 + 30CYS HB1 467 3.052 3.769 3.060 + 30CYS HB2 468 3.118 3.622 3.039 + 30CYS SG 469 2.897 3.624 2.950 + 30CYS C 470 3.063 3.858 2.811 + 30CYS O 471 3.013 3.838 2.698 + 31ALA N 472 3.078 3.977 2.868 + 31ALA H 473 3.131 3.984 2.953 + 31ALA CA 474 3.020 4.099 2.812 + 31ALA HA 475 2.921 4.083 2.809 + 31ALA CB 476 3.042 4.219 2.901 + 31ALA HB1 477 3.000 4.300 2.859 + 31ALA HB2 478 2.999 4.203 2.990 + 31ALA HB3 479 3.139 4.235 2.913 + 31ALA C 480 3.073 4.121 2.669 + 31ALA O 481 2.991 4.155 2.581 + 32ALA N 482 3.205 4.121 2.652 + 32ALA H 483 3.263 4.108 2.733 + 32ALA CA 484 3.270 4.140 2.523 + 32ALA HA 485 3.244 4.231 2.491 + 32ALA CB 486 3.422 4.134 2.541 + 32ALA HB1 487 3.467 4.146 2.453 + 32ALA HB2 488 3.451 4.206 2.604 + 32ALA HB3 489 3.448 4.045 2.579 + 32ALA C 490 3.218 4.040 2.419 + 32ALA O 491 3.201 4.072 2.302 + 33LYS N 492 3.197 3.916 2.462 + 33LYS H 493 3.216 3.896 2.558 + 33LYS CA 494 3.151 3.808 2.377 + 33LYS HA 495 3.221 3.802 2.307 + 33LYS CB 496 3.147 3.672 2.446 + 33LYS HB1 497 3.089 3.681 2.527 + 33LYS HB2 498 3.240 3.650 2.474 + 33LYS CG 499 3.095 3.556 2.362 + 33LYS HG1 500 3.000 3.577 2.335 + 33LYS HG2 501 3.095 3.474 2.420 + 33LYS CD 502 3.174 3.526 2.236 + 33LYS HD1 503 3.260 3.482 2.261 + 33LYS HD2 504 3.193 3.611 2.187 + 33LYS CE 505 3.093 3.432 2.148 + 33LYS HE1 506 3.011 3.481 2.116 + 33LYS HE2 507 3.066 3.353 2.202 + 33LYS NZ 508 3.167 3.384 2.029 + 33LYS HZ1 509 3.108 3.323 1.975 + 33LYS HZ2 510 3.194 3.462 1.972 + 33LYS HZ3 511 3.249 3.334 2.058 + 33LYS C 512 3.014 3.842 2.315 + 33LYS O 513 3.006 3.837 2.192 + 34PHE N 514 2.921 3.881 2.399 + 34PHE H 515 2.947 3.899 2.495 + 34PHE CA 516 2.782 3.898 2.356 + 34PHE HA 517 2.763 3.838 2.279 + 34PHE CB 518 2.688 3.853 2.468 + 34PHE HB1 519 2.593 3.882 2.446 + 34PHE HB2 520 2.716 3.895 2.554 + 34PHE CG 521 2.688 3.703 2.484 + 34PHE CD1 522 2.645 3.621 2.380 + 34PHE HD1 523 2.602 3.661 2.299 + 34PHE CE1 524 2.661 3.482 2.390 + 34PHE HE1 525 2.635 3.423 2.314 + 34PHE CZ 526 2.717 3.427 2.507 + 34PHE HZ 527 2.718 3.327 2.520 + 34PHE CE2 528 2.769 3.510 2.607 + 34PHE HE2 529 2.818 3.472 2.685 + 34PHE CD2 530 2.751 3.649 2.596 + 34PHE HD2 531 2.784 3.709 2.669 + 34PHE C 532 2.760 4.037 2.297 + 34PHE O 533 2.674 4.055 2.205 + 35GLU N 534 2.849 4.127 2.336 + 35GLU H 535 2.921 4.103 2.401 + 35GLU CA 536 2.842 4.265 2.281 + 35GLU HA 537 2.743 4.276 2.281 + 35GLU CB 538 2.895 4.375 2.370 + 35GLU HB1 539 2.894 4.459 2.316 + 35GLU HB2 540 2.989 4.351 2.394 + 35GLU CG 541 2.823 4.407 2.500 + 35GLU HG1 542 2.884 4.469 2.551 + 35GLU HG2 543 2.815 4.321 2.550 + 35GLU CD 544 2.688 4.471 2.495 + 35GLU OE1 545 2.665 4.522 2.383 + 35GLU OE2 546 2.619 4.489 2.594 + 35GLU C 547 2.891 4.280 2.139 + 35GLU O 548 2.826 4.337 2.050 + 36SER N 549 3.011 4.234 2.114 + 36SER H 550 3.056 4.184 2.188 + 36SER CA 551 3.088 4.248 1.991 + 36SER HA 552 3.016 4.284 1.931 + 36SER CB 553 3.207 4.339 2.016 + 36SER HB1 554 3.178 4.426 2.055 + 36SER HB2 555 3.257 4.356 1.930 + 36SER OG 556 3.299 4.281 2.106 + 36SER HG 557 3.376 4.343 2.120 + 36SER C 558 3.138 4.120 1.924 + 36SER O 559 3.200 4.132 1.817 + 37ASN N 560 3.121 4.008 1.988 + 37ASN H 561 3.057 4.008 2.066 + 37ASN CA 562 3.188 3.883 1.951 + 37ASN HA 563 3.168 3.815 2.023 + 37ASN CB 564 3.128 3.835 1.819 + 37ASN HB1 565 3.175 3.880 1.744 + 37ASN HB2 566 3.030 3.860 1.817 + 37ASN CG 567 3.141 3.684 1.803 + 37ASN OD1 568 3.188 3.613 1.892 + 37ASN ND2 569 3.112 3.637 1.682 + 37ASN HD21 570 3.083 3.699 1.609 + 37ASN HD22 571 3.118 3.538 1.664 + 37ASN C 572 3.339 3.895 1.951 + 37ASN O 573 3.405 3.849 1.856 + 38PHE N 574 3.394 3.974 2.043 + 38PHE H 575 3.333 4.020 2.108 + 38PHE CA 576 3.537 3.997 2.053 + 38PHE HA 577 3.543 4.055 2.135 + 38PHE CB 578 3.615 3.868 2.076 + 38PHE HB1 579 3.713 3.892 2.089 + 38PHE HB2 580 3.606 3.811 1.995 + 38PHE CG 581 3.573 3.787 2.195 + 38PHE CD1 582 3.534 3.843 2.315 + 38PHE HD1 583 3.530 3.943 2.323 + 38PHE CE1 584 3.501 3.767 2.425 + 38PHE HE1 585 3.473 3.811 2.510 + 38PHE CZ 586 3.509 3.627 2.416 + 38PHE HZ 587 3.491 3.570 2.497 + 38PHE CE2 588 3.539 3.567 2.292 + 38PHE HE2 589 3.533 3.468 2.282 + 38PHE CD2 590 3.576 3.646 2.182 + 38PHE HD2 591 3.602 3.604 2.096 + 38PHE C 592 3.596 4.076 1.936 + 38PHE O 593 3.717 4.065 1.911 + 39ASN N 594 3.519 4.165 1.878 + 39ASN H 595 3.427 4.180 1.915 + 39ASN CA 596 3.559 4.243 1.761 + 39ASN HA 597 3.648 4.211 1.731 + 39ASN CB 598 3.466 4.216 1.644 + 39ASN HB1 599 3.378 4.261 1.663 + 39ASN HB2 600 3.451 4.117 1.639 + 39ASN CG 601 3.513 4.263 1.509 + 39ASN OD1 602 3.582 4.361 1.485 + 39ASN ND2 603 3.483 4.172 1.416 + 39ASN HD21 604 3.435 4.088 1.441 + 39ASN HD22 605 3.507 4.189 1.320 + 39ASN C 606 3.579 4.389 1.799 + 39ASN O 607 3.478 4.451 1.839 + 40THR N 608 3.701 4.435 1.788 + 40THR H 609 3.773 4.372 1.760 + 40THR CA 610 3.739 4.573 1.815 + 40THR HA 611 3.691 4.584 1.902 + 40THR CB 612 3.892 4.596 1.839 + 40THR HB 613 3.909 4.682 1.887 + 40THR CG2 614 3.966 4.498 1.932 + 40THR HG21 615 4.062 4.523 1.938 + 40THR HG22 616 3.924 4.501 2.023 + 40THR HG23 617 3.958 4.405 1.895 + 40THR OG1 618 3.951 4.602 1.703 + 40THR HG1 619 4.050 4.616 1.710 + 40THR C 620 3.674 4.675 1.722 + 40THR O 621 3.657 4.791 1.760 + 41GLN N 622 3.625 4.629 1.610 + 41GLN H 623 3.618 4.530 1.599 + 41GLN CA 624 3.576 4.715 1.500 + 41GLN HA 625 3.615 4.805 1.522 + 41GLN CB 626 3.629 4.668 1.364 + 41GLN HB1 627 3.585 4.720 1.292 + 41GLN HB2 628 3.608 4.571 1.353 + 41GLN CG 629 3.780 4.686 1.353 + 41GLN HG1 630 3.822 4.607 1.309 + 41GLN HG2 631 3.819 4.700 1.444 + 41GLN CD 632 3.800 4.810 1.268 + 41GLN OE1 633 3.760 4.817 1.152 + 41GLN NE2 634 3.852 4.909 1.339 + 41GLN HE21 635 3.872 4.896 1.436 + 41GLN HE22 636 3.872 4.997 1.295 + 41GLN C 637 3.424 4.724 1.494 + 41GLN O 638 3.375 4.788 1.397 + 42ALA N 639 3.358 4.650 1.580 + 42ALA H 640 3.408 4.598 1.649 + 42ALA CA 641 3.211 4.644 1.575 + 42ALA HA 642 3.185 4.612 1.483 + 42ALA CB 643 3.159 4.546 1.681 + 42ALA HB1 644 3.060 4.542 1.678 + 42ALA HB2 645 3.197 4.455 1.664 + 42ALA HB3 646 3.190 4.578 1.772 + 42ALA C 647 3.151 4.783 1.600 + 42ALA O 648 3.188 4.855 1.693 + 43THR N 649 3.053 4.815 1.517 + 43THR H 650 3.034 4.755 1.439 + 43THR CA 651 2.968 4.935 1.533 + 43THR HA 652 2.987 4.960 1.629 + 43THR CB 653 3.006 5.059 1.444 + 43THR HB 654 2.951 5.139 1.464 + 43THR CG2 655 3.149 5.107 1.463 + 43THR HG21 656 3.167 5.186 1.403 + 43THR HG22 657 3.162 5.134 1.558 + 43THR HG23 658 3.213 5.034 1.440 + 43THR OG1 659 2.980 5.018 1.305 + 43THR HG1 660 3.003 5.094 1.244 + 43THR C 661 2.822 4.897 1.510 + 43THR O 662 2.796 4.813 1.422 + 44ASN N 663 2.734 4.960 1.584 + 44ASN H 664 2.766 5.027 1.652 + 44ASN CA 665 2.589 4.936 1.570 + 44ASN HA 666 2.572 4.896 1.480 + 44ASN CB 667 2.540 4.834 1.673 + 44ASN HB1 668 2.566 4.865 1.764 + 44ASN HB2 669 2.582 4.746 1.654 + 44ASN CG 670 2.389 4.818 1.669 + 44ASN OD1 671 2.338 4.758 1.573 + 44ASN ND2 672 2.316 4.879 1.762 + 44ASN HD21 673 2.359 4.934 1.833 + 44ASN HD22 674 2.216 4.869 1.761 + 44ASN C 675 2.514 5.070 1.585 + 44ASN O 676 2.542 5.146 1.678 + 45ARG N 677 2.431 5.098 1.489 + 45ARG H 678 2.417 5.029 1.417 + 45ARG CA 679 2.355 5.222 1.479 + 45ARG HA 680 2.408 5.292 1.527 + 45ARG CB 681 2.339 5.270 1.335 + 45ARG HB1 682 2.318 5.191 1.276 + 45ARG HB2 683 2.424 5.312 1.304 + 45ARG CG 684 2.226 5.372 1.325 + 45ARG HG1 685 2.145 5.339 1.374 + 45ARG HG2 686 2.201 5.388 1.230 + 45ARG CD 687 2.274 5.499 1.388 + 45ARG HD1 688 2.330 5.481 1.469 + 45ARG HD2 689 2.198 5.559 1.413 + 45ARG NE 690 2.355 5.562 1.283 + 45ARG HE 691 2.455 5.566 1.288 + 45ARG CZ 692 2.286 5.613 1.179 + 45ARG NH1 693 2.154 5.619 1.171 + 45ARG HH11 694 2.098 5.584 1.246 + 45ARG HH12 695 2.109 5.659 1.090 + 45ARG NH2 696 2.362 5.656 1.078 + 45ARG HH21 697 2.461 5.648 1.083 + 45ARG HH22 698 2.319 5.695 0.997 + 45ARG C 699 2.220 5.202 1.548 + 45ARG O 700 2.164 5.092 1.538 + 46ASN N 701 2.180 5.303 1.626 + 46ASN H 702 2.234 5.386 1.631 + 46ASN CA 703 2.055 5.293 1.703 + 46ASN HA 704 2.020 5.201 1.689 + 46ASN CB 705 2.082 5.309 1.851 + 46ASN HB1 706 1.995 5.300 1.900 + 46ASN HB2 707 2.119 5.401 1.866 + 46ASN CG 708 2.178 5.210 1.913 + 46ASN OD1 709 2.290 5.252 1.946 + 46ASN ND2 710 2.136 5.084 1.921 + 46ASN HD21 711 2.046 5.059 1.887 + 46ASN HD22 712 2.197 5.014 1.961 + 46ASN C 713 1.951 5.392 1.650 + 46ASN O 714 1.987 5.496 1.593 + 47THR N 715 1.827 5.369 1.692 + 47THR H 716 1.812 5.291 1.753 + 47THR CA 717 1.712 5.451 1.656 + 47THR HA 718 1.719 5.452 1.557 + 47THR CB 719 1.574 5.388 1.702 + 47THR HB 720 1.493 5.431 1.663 + 47THR CG2 721 1.558 5.241 1.662 + 47THR HG21 722 1.469 5.208 1.694 + 47THR HG22 723 1.562 5.233 1.563 + 47THR HG23 724 1.630 5.187 1.704 + 47THR OG1 725 1.576 5.406 1.847 + 47THR HG1 726 1.492 5.368 1.885 + 47THR C 727 1.724 5.597 1.700 + 47THR O 728 1.684 5.683 1.620 + 48ASP N 729 1.788 5.624 1.813 + 48ASP H 730 1.819 5.546 1.867 + 48ASP CA 731 1.812 5.758 1.864 + 48ASP HA 732 1.729 5.802 1.834 + 48ASP CB 733 1.827 5.759 2.017 + 48ASP HB1 734 1.753 5.704 2.057 + 48ASP HB2 735 1.819 5.854 2.049 + 48ASP CG 736 1.962 5.703 2.064 + 48ASP OD1 737 2.034 5.646 1.982 + 48ASP OD2 738 2.000 5.730 2.180 + 48ASP C 739 1.926 5.837 1.799 + 48ASP O 740 1.949 5.948 1.850 + 49GLY N 741 1.990 5.788 1.695 + 49GLY H 742 1.962 5.698 1.660 + 49GLY CA 743 2.099 5.856 1.626 + 49GLY HA1 744 2.086 5.954 1.642 + 49GLY HA2 745 2.089 5.836 1.529 + 49GLY C 746 2.240 5.818 1.671 + 49GLY O 747 2.342 5.855 1.612 + 50SER N 748 2.241 5.752 1.788 + 50SER H 749 2.155 5.732 1.833 + 50SER CA 750 2.368 5.709 1.853 + 50SER HA 751 2.434 5.781 1.839 + 50SER CB 752 2.352 5.695 2.003 + 50SER HB1 753 2.303 5.774 2.040 + 50SER HB2 754 2.441 5.687 2.047 + 50SER OG 755 2.277 5.579 2.035 + 50SER HG 756 2.267 5.572 2.134 + 50SER C 757 2.422 5.582 1.787 + 50SER O 758 2.352 5.512 1.711 + 51THR N 759 2.552 5.563 1.808 + 51THR H 760 2.603 5.632 1.857 + 51THR CA 761 2.622 5.442 1.761 + 51THR HA 762 2.553 5.375 1.730 + 51THR CB 763 2.714 5.477 1.639 + 51THR HB 764 2.786 5.543 1.662 + 51THR CG2 765 2.793 5.356 1.586 + 51THR HG21 766 2.851 5.384 1.509 + 51THR HG22 767 2.851 5.319 1.659 + 51THR HG23 768 2.728 5.286 1.555 + 51THR OG1 769 2.635 5.544 1.540 + 51THR HG1 770 2.691 5.567 1.461 + 51THR C 771 2.697 5.383 1.881 + 51THR O 772 2.740 5.457 1.969 + 52ASP N 773 2.695 5.251 1.888 + 52ASP H 774 2.636 5.200 1.826 + 52ASP CA 775 2.777 5.176 1.985 + 52ASP HA 776 2.795 5.234 2.064 + 52ASP CB 777 2.701 5.051 2.026 + 52ASP HB1 778 2.753 5.002 2.096 + 52ASP HB2 779 2.690 4.992 1.946 + 52ASP CG 780 2.565 5.085 2.081 + 52ASP OD1 781 2.546 5.179 2.157 + 52ASP OD2 782 2.477 5.000 2.059 + 52ASP C 783 2.908 5.135 1.918 + 52ASP O 784 2.909 5.093 1.800 + 53TYR N 785 3.016 5.159 1.990 + 53TYR H 786 3.006 5.188 2.086 + 53TYR CA 787 3.152 5.146 1.936 + 53TYR HA 788 3.135 5.111 1.844 + 53TYR CB 789 3.224 5.283 1.932 + 53TYR HB1 790 3.319 5.268 1.909 + 53TYR HB2 791 3.217 5.325 2.023 + 53TYR CG 792 3.168 5.382 1.832 + 53TYR CD1 793 3.208 5.386 1.699 + 53TYR HD1 794 3.279 5.322 1.667 + 53TYR CE1 795 3.154 5.478 1.609 + 53TYR HE1 796 3.181 5.478 1.513 + 53TYR CZ 797 3.060 5.571 1.656 + 53TYR OH 798 3.010 5.666 1.572 + 53TYR HH 799 2.945 5.724 1.621 + 53TYR CE2 800 3.016 5.566 1.788 + 53TYR HE2 801 2.941 5.626 1.819 + 53TYR CD2 802 3.076 5.477 1.876 + 53TYR HD2 803 3.052 5.480 1.973 + 53TYR C 804 3.240 5.045 2.010 + 53TYR O 805 3.253 5.047 2.132 + 54GLY N 806 3.299 4.958 1.932 + 54GLY H 807 3.266 4.952 1.838 + 54GLY CA 808 3.409 4.869 1.969 + 54GLY HA1 809 3.474 4.925 2.020 + 54GLY HA2 810 3.451 4.839 1.883 + 54GLY C 811 3.375 4.746 2.052 + 54GLY O 812 3.259 4.702 2.055 + 55ILE N 813 3.480 4.695 2.113 + 55ILE H 814 3.568 4.744 2.111 + 55ILE CA 815 3.470 4.565 2.182 + 55ILE HA 816 3.430 4.504 2.114 + 55ILE CB 817 3.614 4.520 2.225 + 55ILE HB 818 3.685 4.534 2.157 + 55ILE CG2 819 3.664 4.607 2.342 + 55ILE HG21 820 3.756 4.577 2.369 + 55ILE HG22 821 3.668 4.703 2.314 + 55ILE HG23 822 3.602 4.597 2.420 + 55ILE CG1 823 3.603 4.367 2.249 + 55ILE HG11 824 3.543 4.329 2.178 + 55ILE HG12 825 3.560 4.353 2.339 + 55ILE CD 826 3.734 4.288 2.247 + 55ILE HD1 827 3.716 4.191 2.264 + 55ILE HD2 828 3.779 4.298 2.158 + 55ILE HD3 829 3.796 4.323 2.318 + 55ILE C 830 3.366 4.561 2.294 + 55ILE O 831 3.302 4.456 2.312 + 56LEU N 832 3.346 4.674 2.357 + 56LEU H 833 3.402 4.754 2.335 + 56LEU CA 834 3.241 4.686 2.461 + 56LEU HA 835 3.203 4.595 2.474 + 56LEU CB 836 3.306 4.728 2.593 + 56LEU HB1 837 3.233 4.753 2.657 + 56LEU HB2 838 3.364 4.809 2.576 + 56LEU CG 839 3.394 4.621 2.661 + 56LEU HG 840 3.466 4.585 2.601 + 56LEU CD1 841 3.457 4.686 2.782 + 56LEU HD11 842 3.516 4.619 2.829 + 56LEU HD12 843 3.513 4.763 2.753 + 56LEU HD13 844 3.386 4.717 2.844 + 56LEU CD2 845 3.306 4.504 2.700 + 56LEU HD21 846 3.362 4.433 2.744 + 56LEU HD22 847 3.236 4.535 2.764 + 56LEU HD23 848 3.261 4.466 2.619 + 56LEU C 849 3.122 4.770 2.415 + 56LEU O 850 3.040 4.797 2.504 + 57GLN N 851 3.111 4.796 2.286 + 57GLN H 852 3.184 4.770 2.224 + 57GLN CA 853 2.991 4.864 2.234 + 57GLN HA 854 3.014 4.901 2.144 + 57GLN CB 855 2.876 4.762 2.226 + 57GLN HB1 856 2.790 4.811 2.212 + 57GLN HB2 857 2.872 4.711 2.312 + 57GLN CG 858 2.898 4.665 2.111 + 57GLN HG1 859 2.826 4.595 2.115 + 57GLN HG2 860 2.987 4.622 2.122 + 57GLN CD 861 2.892 4.730 1.974 + 57GLN OE1 862 2.782 4.746 1.922 + 57GLN NE2 863 3.006 4.766 1.916 + 57GLN HE21 864 3.093 4.751 1.962 + 57GLN HE22 865 3.003 4.809 1.826 + 57GLN C 866 2.953 4.980 2.325 + 57GLN O 867 2.836 4.989 2.372 + 58ILE N 868 3.040 5.077 2.338 + 58ILE H 869 3.129 5.067 2.292 + 58ILE CA 870 3.017 5.198 2.416 + 58ILE HA 871 2.957 5.172 2.492 + 58ILE CB 872 3.155 5.252 2.468 + 58ILE HB 873 3.224 5.254 2.396 + 58ILE CG2 874 3.142 5.400 2.512 + 58ILE HG21 875 3.231 5.432 2.544 + 58ILE HG22 876 3.112 5.455 2.434 + 58ILE HG23 877 3.076 5.407 2.585 + 58ILE CG1 878 3.200 5.158 2.583 + 58ILE HG11 879 3.187 5.063 2.554 + 58ILE HG12 880 3.145 5.177 2.664 + 58ILE CD 881 3.349 5.181 2.617 + 58ILE HD1 882 3.376 5.120 2.691 + 58ILE HD2 883 3.405 5.163 2.536 + 58ILE HD3 884 3.362 5.276 2.646 + 58ILE C 885 2.944 5.302 2.331 + 58ILE O 886 2.980 5.327 2.214 + 59ASN N 887 2.839 5.353 2.391 + 59ASN H 888 2.826 5.334 2.488 + 59ASN CA 889 2.740 5.437 2.322 + 59ASN HA 890 2.734 5.405 2.227 + 59ASN CB 891 2.605 5.417 2.393 + 59ASN HB1 892 2.612 5.454 2.485 + 59ASN HB2 893 2.586 5.319 2.397 + 59ASN CG 894 2.490 5.485 2.322 + 59ASN OD1 895 2.470 5.603 2.357 + 59ASN ND2 896 2.441 5.418 2.220 + 59ASN HD21 897 2.478 5.330 2.194 + 59ASN HD22 898 2.364 5.456 2.168 + 59ASN C 899 2.780 5.583 2.308 + 59ASN O 900 2.816 5.647 2.407 + 60SER N 901 2.751 5.634 2.187 + 60SER H 902 2.710 5.576 2.117 + 60SER CA 903 2.782 5.777 2.156 + 60SER HA 904 2.871 5.786 2.201 + 60SER CB 905 2.789 5.800 2.006 + 60SER HB1 906 2.852 5.734 1.965 + 60SER HB2 907 2.822 5.893 1.988 + 60SER OG 908 2.668 5.787 1.937 + 60SER HG 909 2.684 5.804 1.839 + 60SER C 910 2.694 5.885 2.217 + 60SER O 911 2.730 6.004 2.204 + 61ARG N 912 2.578 5.852 2.267 + 61ARG H 913 2.545 5.758 2.258 + 61ARG CA 914 2.493 5.951 2.338 + 61ARG HA 915 2.493 6.029 2.275 + 61ARG CB 916 2.352 5.906 2.356 + 61ARG HB1 917 2.349 5.841 2.432 + 61ARG HB2 918 2.322 5.859 2.272 + 61ARG CG 919 2.257 6.021 2.385 + 61ARG HG1 920 2.239 6.075 2.303 + 61ARG HG2 921 2.292 6.080 2.457 + 61ARG CD 922 2.131 5.952 2.431 + 61ARG HD1 923 2.151 5.890 2.507 + 61ARG HD2 924 2.091 5.899 2.355 + 61ARG NE 925 2.034 6.051 2.475 + 61ARG HE 926 2.066 6.141 2.508 + 61ARG CZ 927 1.903 6.021 2.470 + 61ARG NH1 928 1.868 5.912 2.403 + 61ARG HH11 929 1.939 5.856 2.358 + 61ARG HH12 930 1.773 5.886 2.397 + 61ARG NH2 931 1.817 6.111 2.516 + 61ARG HH21 932 1.849 6.198 2.553 + 61ARG HH22 933 1.719 6.091 2.514 + 61ARG C 934 2.553 5.997 2.470 + 61ARG O 935 2.553 6.119 2.493 + 62TRP N 936 2.602 5.906 2.554 + 62TRP H 937 2.602 5.810 2.526 + 62TRP CA 938 2.657 5.942 2.684 + 62TRP HA 939 2.619 6.035 2.694 + 62TRP CB 940 2.608 5.847 2.794 + 62TRP HB1 941 2.629 5.886 2.884 + 62TRP HB2 942 2.655 5.759 2.784 + 62TRP CG 943 2.461 5.822 2.791 + 62TRP CD1 944 2.397 5.711 2.745 + 62TRP HD1 945 2.441 5.626 2.718 + 62TRP NE1 946 2.260 5.732 2.742 + 62TRP HE1 947 2.193 5.666 2.709 + 62TRP CE2 948 2.234 5.856 2.791 + 62TRP CZ2 949 2.112 5.919 2.812 + 62TRP HZ2 950 2.026 5.873 2.791 + 62TRP CH2 951 2.115 6.047 2.862 + 62TRP HH2 952 2.030 6.098 2.873 + 62TRP CZ3 953 2.237 6.107 2.900 + 62TRP HZ3 954 2.234 6.197 2.943 + 62TRP CE3 955 2.358 6.044 2.878 + 62TRP HE3 956 2.444 6.090 2.900 + 62TRP CD2 957 2.358 5.916 2.824 + 62TRP C 958 2.809 5.950 2.691 + 62TRP O 959 2.856 6.026 2.778 + 63TRP N 960 2.878 5.859 2.623 + 63TRP H 961 2.833 5.812 2.547 + 63TRP CA 962 3.016 5.826 2.653 + 63TRP HA 963 3.017 5.892 2.728 + 63TRP CB 964 3.032 5.678 2.692 + 63TRP HB1 965 3.121 5.665 2.735 + 63TRP HB2 966 3.026 5.622 2.610 + 63TRP CG 967 2.928 5.629 2.788 + 63TRP CD1 968 2.820 5.548 2.759 + 63TRP HD1 969 2.797 5.514 2.667 + 63TRP NE1 970 2.749 5.520 2.871 + 63TRP HE1 971 2.671 5.458 2.877 + 63TRP CE2 972 2.800 5.593 2.974 + 63TRP CZ2 973 2.763 5.599 3.109 + 63TRP HZ2 974 2.684 5.550 3.143 + 63TRP CH2 975 2.842 5.677 3.193 + 63TRP HH2 976 2.818 5.685 3.289 + 63TRP CZ3 977 2.954 5.745 3.146 + 63TRP HZ3 978 3.007 5.802 3.209 + 63TRP CE3 979 2.993 5.734 3.013 + 63TRP HE3 980 3.076 5.780 2.981 + 63TRP CD2 981 2.917 5.659 2.926 + 63TRP C 982 3.134 5.878 2.576 + 63TRP O 983 3.239 5.904 2.638 + 64CYS N 984 3.121 5.877 2.446 + 64CYS H 985 3.036 5.839 2.407 + 64CYS CA 986 3.223 5.929 2.354 + 64CYS HA 987 3.290 5.980 2.407 + 64CYS CB 988 3.289 5.812 2.282 + 64CYS HB1 989 3.329 5.760 2.356 + 64CYS HB2 990 3.361 5.856 2.228 + 64CYS SG 991 3.181 5.709 2.180 + 64CYS C 992 3.157 6.022 2.252 + 64CYS O 993 3.034 6.017 2.234 + 65ASN N 994 3.240 6.103 2.190 + 65ASN H 995 3.338 6.098 2.212 + 65ASN CA 996 3.194 6.199 2.089 + 65ASN HA 997 3.095 6.206 2.103 + 65ASN CB 998 3.263 6.335 2.110 + 65ASN HB1 999 3.362 6.325 2.105 + 65ASN HB2 1000 3.237 6.373 2.199 + 65ASN CG 1001 3.216 6.428 1.999 + 65ASN OD1 1002 3.099 6.442 1.967 + 65ASN ND2 1003 3.316 6.480 1.928 + 65ASN HD21 1004 3.411 6.456 1.951 + 65ASN HD22 1005 3.297 6.542 1.853 + 65ASN C 1006 3.223 6.151 1.947 + 65ASN O 1007 3.338 6.118 1.916 + 66ASP N 1008 3.116 6.134 1.869 + 66ASP H 1009 3.024 6.143 1.908 + 66ASP CA 1010 3.135 6.104 1.726 + 66ASP HA 1011 3.234 6.095 1.714 + 66ASP CB 1012 3.070 5.972 1.692 + 66ASP HB1 1013 3.103 5.903 1.756 + 66ASP HB2 1014 3.099 5.947 1.599 + 66ASP CG 1015 2.920 5.976 1.698 + 66ASP OD1 1016 2.853 6.076 1.727 + 66ASP OD2 1017 2.869 5.863 1.676 + 66ASP C 1018 3.091 6.218 1.635 + 66ASP O 1019 3.096 6.200 1.514 + 67GLY N 1020 3.047 6.327 1.695 + 67GLY H 1021 3.043 6.327 1.795 + 67GLY CA 1022 3.007 6.447 1.623 + 67GLY HA1 1023 3.082 6.470 1.562 + 67GLY HA2 1024 2.996 6.518 1.692 + 67GLY C 1025 2.878 6.441 1.541 + 67GLY O 1026 2.843 6.540 1.475 + 68ARG N 1027 2.806 6.330 1.546 + 68ARG H 1028 2.839 6.254 1.602 + 68ARG CA 1029 2.681 6.317 1.472 + 68ARG HA 1030 2.658 6.411 1.446 + 68ARG CB 1031 2.700 6.231 1.347 + 68ARG HB1 1032 2.769 6.273 1.288 + 68ARG HB2 1033 2.612 6.226 1.298 + 68ARG CG 1034 2.744 6.091 1.386 + 68ARG HG1 1035 2.672 6.047 1.440 + 68ARG HG2 1036 2.828 6.097 1.441 + 68ARG CD 1037 2.773 6.005 1.269 + 68ARG HD1 1038 2.859 5.957 1.281 + 68ARG HD2 1039 2.776 6.061 1.186 + 68ARG NE 1040 2.668 5.906 1.253 + 68ARG HE 1041 2.691 5.817 1.292 + 68ARG CZ 1042 2.549 5.912 1.196 + 68ARG NH1 1043 2.474 6.017 1.166 + 68ARG HH11 1044 2.509 6.109 1.188 + 68ARG HH12 1045 2.385 6.005 1.123 + 68ARG NH2 1046 2.514 5.799 1.131 + 68ARG HH21 1047 2.576 5.721 1.130 + 68ARG HH22 1048 2.425 5.793 1.085 + 68ARG C 1049 2.566 6.262 1.557 + 68ARG O 1050 2.464 6.224 1.502 + 69THR N 1051 2.583 6.276 1.686 + 69THR H 1052 2.667 6.321 1.719 + 69THR CA 1053 2.486 6.227 1.784 + 69THR HA 1054 2.418 6.181 1.726 + 69THR CB 1055 2.546 6.124 1.890 + 69THR HB 1056 2.615 6.161 1.951 + 69THR CG2 1057 2.437 6.072 1.985 + 69THR HG21 1058 2.477 6.008 2.051 + 69THR HG22 1059 2.397 6.149 2.035 + 69THR HG23 1060 2.365 6.025 1.933 + 69THR OG1 1061 2.609 6.019 1.809 + 69THR HG1 1062 2.649 5.951 1.870 + 69THR C 1063 2.424 6.346 1.859 + 69THR O 1064 2.493 6.410 1.938 + 70PRO N 1065 2.293 6.360 1.839 + 70PRO CD 1066 2.214 6.295 1.735 + 70PRO HD1 1067 2.180 6.207 1.766 + 70PRO HD2 1068 2.267 6.283 1.652 + 70PRO CG 1069 2.101 6.395 1.714 + 70PRO HG1 1070 2.016 6.348 1.685 + 70PRO HG2 1071 2.125 6.463 1.645 + 70PRO CB 1072 2.080 6.461 1.848 + 70PRO HB1 1073 2.020 6.406 1.905 + 70PRO HB2 1074 2.042 6.552 1.836 + 70PRO CA 1075 2.220 6.468 1.908 + 70PRO HA 1076 2.260 6.559 1.895 + 70PRO C 1077 2.220 6.438 2.057 + 70PRO O 1078 2.198 6.322 2.092 + 71GLY N 1079 2.240 6.535 2.141 + 71GLY H 1080 2.260 6.625 2.102 + 71GLY CA 1081 2.239 6.524 2.286 + 71GLY HA1 1082 2.155 6.473 2.309 + 71GLY HA2 1083 2.230 6.617 2.322 + 71GLY C 1084 2.358 6.457 2.352 + 71GLY O 1085 2.351 6.412 2.468 + 72SER N 1086 2.467 6.449 2.279 + 72SER H 1087 2.464 6.490 2.188 + 72SER CA 1088 2.591 6.384 2.322 + 72SER HA 1089 2.575 6.287 2.342 + 72SER CB 1090 2.691 6.386 2.207 + 72SER HB1 1091 2.684 6.474 2.160 + 72SER HB2 1092 2.670 6.312 2.143 + 72SER OG 1093 2.826 6.369 2.247 + 72SER HG 1094 2.885 6.372 2.166 + 72SER C 1095 2.638 6.444 2.453 + 72SER O 1096 2.629 6.568 2.468 + 73ARG N 1097 2.690 6.363 2.544 + 73ARG H 1098 2.685 6.265 2.525 + 73ARG CA 1099 2.750 6.406 2.670 + 73ARG HA 1100 2.727 6.503 2.660 + 73ARG CB 1101 2.685 6.341 2.794 + 73ARG HB1 1102 2.743 6.364 2.873 + 73ARG HB2 1103 2.685 6.242 2.781 + 73ARG CG 1104 2.543 6.384 2.825 + 73ARG HG1 1105 2.500 6.317 2.885 + 73ARG HG2 1106 2.490 6.393 2.740 + 73ARG CD 1107 2.546 6.516 2.893 + 73ARG HD1 1108 2.579 6.584 2.829 + 73ARG HD2 1109 2.608 6.510 2.972 + 73ARG NE 1110 2.418 6.563 2.943 + 73ARG HE 1111 2.398 6.556 3.041 + 73ARG CZ 1112 2.322 6.616 2.863 + 73ARG NH1 1113 2.309 6.579 2.735 + 73ARG HH11 1114 2.369 6.511 2.696 + 73ARG HH12 1115 2.237 6.621 2.679 + 73ARG NH2 1116 2.282 6.741 2.896 + 73ARG HH21 1117 2.322 6.787 2.974 + 73ARG HH22 1118 2.211 6.786 2.841 + 73ARG C 1119 2.901 6.392 2.684 + 73ARG O 1120 2.967 6.461 2.766 + 74ASN N 1121 2.960 6.300 2.610 + 74ASN H 1122 2.901 6.247 2.549 + 74ASN CA 1123 3.102 6.269 2.612 + 74ASN HA 1124 3.112 6.179 2.570 + 74ASN CB 1125 3.181 6.365 2.522 + 74ASN HB1 1126 3.187 6.453 2.568 + 74ASN HB2 1127 3.132 6.375 2.436 + 74ASN CG 1128 3.322 6.319 2.490 + 74ASN OD1 1129 3.356 6.203 2.516 + 74ASN ND2 1130 3.408 6.405 2.437 + 74ASN HD21 1131 3.379 6.499 2.419 + 74ASN HD22 1132 3.501 6.376 2.416 + 74ASN C 1133 3.157 6.258 2.754 + 74ASN O 1134 3.250 6.333 2.787 + 75LEU N 1135 3.096 6.172 2.835 + 75LEU H 1136 3.020 6.117 2.801 + 75LEU CA 1137 3.139 6.155 2.974 + 75LEU HA 1138 3.157 6.247 3.009 + 75LEU CB 1139 3.026 6.091 3.054 + 75LEU HB1 1140 3.062 6.063 3.143 + 75LEU HB2 1141 2.993 6.011 3.004 + 75LEU CG 1142 2.907 6.186 3.079 + 75LEU HG 1143 2.886 6.238 2.996 + 75LEU CD1 1144 2.782 6.105 3.115 + 75LEU HD11 1145 2.705 6.168 3.130 + 75LEU HD12 1146 2.760 6.043 3.039 + 75LEU HD13 1147 2.799 6.052 3.198 + 75LEU CD2 1148 2.941 6.283 3.192 + 75LEU HD21 1149 2.862 6.344 3.208 + 75LEU HD22 1150 2.960 6.231 3.275 + 75LEU HD23 1151 3.020 6.337 3.167 + 75LEU C 1152 3.276 6.087 2.989 + 75LEU O 1153 3.342 6.106 3.095 + 76CYS N 1154 3.322 6.017 2.887 + 76CYS H 1155 3.266 6.007 2.805 + 76CYS CA 1156 3.454 5.954 2.892 + 76CYS HA 1157 3.466 5.940 2.990 + 76CYS CB 1158 3.464 5.816 2.829 + 76CYS HB1 1159 3.562 5.801 2.820 + 76CYS HB2 1160 3.424 5.829 2.738 + 76CYS SG 1161 3.384 5.682 2.917 + 76CYS C 1162 3.563 6.046 2.840 + 76CYS O 1163 3.681 6.009 2.838 + 77ASN N 1164 3.520 6.154 2.778 + 77ASN H 1165 3.422 6.166 2.770 + 77ASN CA 1166 3.608 6.259 2.721 + 77ASN HA 1167 3.546 6.324 2.676 + 77ASN CB 1168 3.684 6.335 2.829 + 77ASN HB1 1169 3.760 6.279 2.861 + 77ASN HB2 1170 3.622 6.353 2.906 + 77ASN CG 1171 3.737 6.467 2.777 + 77ASN OD1 1172 3.659 6.545 2.721 + 77ASN ND2 1173 3.868 6.487 2.786 + 77ASN HD21 1174 3.927 6.417 2.826 + 77ASN HD22 1175 3.908 6.573 2.752 + 77ASN C 1176 3.695 6.202 2.611 + 77ASN O 1177 3.819 6.219 2.612 + 78ILE N 1178 3.639 6.127 2.519 + 78ILE H 1179 3.540 6.111 2.524 + 78ILE CA 1180 3.714 6.064 2.410 + 78ILE HA 1181 3.799 6.118 2.401 + 78ILE CB 1182 3.743 5.912 2.443 + 78ILE HB 1183 3.769 5.861 2.360 + 78ILE CG2 1184 3.868 5.886 2.529 + 78ILE HG21 1185 3.878 5.788 2.545 + 78ILE HG22 1186 3.948 5.921 2.481 + 78ILE HG23 1187 3.859 5.934 2.616 + 78ILE CG1 1188 3.612 5.850 2.496 + 78ILE HG11 1189 3.542 5.865 2.427 + 78ILE HG12 1190 3.589 5.898 2.580 + 78ILE CD 1191 3.618 5.698 2.526 + 78ILE HD1 1192 3.530 5.668 2.560 + 78ILE HD2 1193 3.641 5.648 2.443 + 78ILE HD3 1194 3.688 5.680 2.596 + 78ILE C 1195 3.635 6.071 2.280 + 78ILE O 1196 3.510 6.055 2.284 + 79PRO N 1197 3.707 6.065 2.170 + 79PRO CD 1198 3.852 6.088 2.160 + 79PRO HD1 1199 3.901 6.015 2.205 + 79PRO HD2 1200 3.876 6.176 2.201 + 79PRO CG 1201 3.879 6.089 2.010 + 79PRO HG1 1202 3.935 6.010 1.985 + 79PRO HG2 1203 3.928 6.173 1.985 + 79PRO CB 1204 3.750 6.083 1.937 + 79PRO HB1 1205 3.754 6.012 1.866 + 79PRO HB2 1206 3.731 6.171 1.894 + 79PRO CA 1207 3.644 6.049 2.039 + 79PRO HA 1208 3.566 6.109 2.023 + 79PRO C 1209 3.603 5.901 2.036 + 79PRO O 1210 3.682 5.813 2.081 + 80CYS N 1211 3.487 5.877 1.978 + 80CYS H 1212 3.431 5.953 1.947 + 80CYS CA 1213 3.441 5.738 1.957 + 80CYS HA 1214 3.438 5.706 2.052 + 80CYS CB 1215 3.299 5.720 1.906 + 80CYS HB1 1216 3.287 5.621 1.904 + 80CYS HB2 1217 3.303 5.755 1.813 + 80CYS SG 1218 3.171 5.802 2.005 + 80CYS C 1219 3.539 5.658 1.874 + 80CYS O 1220 3.546 5.534 1.893 + 81SER N 1221 3.602 5.715 1.773 + 81SER H 1222 3.578 5.810 1.753 + 81SER CA 1223 3.703 5.653 1.688 + 81SER HA 1224 3.648 5.584 1.640 + 81SER CB 1225 3.763 5.750 1.586 + 81SER HB1 1226 3.691 5.792 1.528 + 81SER HB2 1227 3.830 5.705 1.528 + 81SER OG 1228 3.828 5.854 1.658 + 81SER HG 1229 3.868 5.919 1.593 + 81SER C 1230 3.816 5.589 1.770 + 81SER O 1231 3.859 5.480 1.725 + 82ALA N 1232 3.848 5.643 1.886 + 82ALA H 1233 3.800 5.726 1.917 + 82ALA CA 1234 3.951 5.582 1.970 + 82ALA HA 1235 4.029 5.566 1.908 + 82ALA CB 1236 3.997 5.679 2.079 + 82ALA HB1 1237 4.068 5.636 2.135 + 82ALA HB2 1238 4.034 5.762 2.037 + 82ALA HB3 1239 3.918 5.703 2.137 + 82ALA C 1240 3.911 5.446 2.027 + 82ALA O 1241 3.994 5.366 2.073 + 83LEU N 1242 3.782 5.420 2.029 + 83LEU H 1243 3.720 5.491 1.995 + 83LEU CA 1244 3.721 5.295 2.077 + 83LEU HA 1245 3.779 5.258 2.150 + 83LEU CB 1246 3.586 5.328 2.138 + 83LEU HB1 1247 3.546 5.242 2.167 + 83LEU HB2 1248 3.530 5.368 2.065 + 83LEU CG 1249 3.576 5.422 2.257 + 83LEU HG 1250 3.618 5.508 2.227 + 83LEU CD1 1251 3.428 5.443 2.295 + 83LEU HD11 1252 3.424 5.505 2.374 + 83LEU HD12 1253 3.378 5.483 2.218 + 83LEU HD13 1254 3.388 5.355 2.320 + 83LEU CD2 1255 3.652 5.373 2.379 + 83LEU HD21 1256 3.641 5.439 2.454 + 83LEU HD22 1257 3.616 5.284 2.407 + 83LEU HD23 1258 3.750 5.364 2.356 + 83LEU C 1259 3.730 5.182 1.976 + 83LEU O 1260 3.691 5.068 2.007 + 84LEU N 1261 3.772 5.213 1.854 + 84LEU H 1262 3.795 5.308 1.835 + 84LEU CA 1263 3.786 5.116 1.746 + 84LEU HA 1264 3.737 5.034 1.779 + 84LEU CB 1265 3.716 5.165 1.620 + 84LEU HB1 1266 3.724 5.093 1.551 + 84LEU HB2 1267 3.766 5.246 1.589 + 84LEU CG 1268 3.569 5.204 1.624 + 84LEU HG 1269 3.557 5.271 1.697 + 84LEU CD1 1270 3.526 5.263 1.489 + 84LEU HD11 1271 3.430 5.288 1.494 + 84LEU HD12 1272 3.580 5.344 1.469 + 84LEU HD13 1273 3.539 5.195 1.417 + 84LEU CD2 1274 3.484 5.080 1.648 + 84LEU HD21 1275 3.388 5.106 1.651 + 84LEU HD22 1276 3.500 5.015 1.574 + 84LEU HD23 1277 3.510 5.039 1.735 + 84LEU C 1278 3.930 5.070 1.724 + 84LEU O 1279 3.957 5.010 1.619 + 85SER N 1280 4.018 5.106 1.813 + 85SER H 1281 3.990 5.166 1.888 + 85SER CA 1282 4.159 5.061 1.808 + 85SER HA 1283 4.192 5.084 1.717 + 85SER CB 1284 4.235 5.134 1.918 + 85SER HB1 1285 4.209 5.101 2.009 + 85SER HB2 1286 4.221 5.233 1.913 + 85SER OG 1287 4.372 5.107 1.898 + 85SER HG 1288 4.426 5.154 1.968 + 85SER C 1289 4.172 4.910 1.831 + 85SER O 1290 4.101 4.850 1.913 + 86SER N 1291 4.286 4.860 1.787 + 86SER H 1292 4.348 4.919 1.735 + 86SER CA 1293 4.326 4.720 1.811 + 86SER HA 1294 4.245 4.666 1.791 + 86SER CB 1295 4.436 4.673 1.716 + 86SER HB1 1296 4.497 4.608 1.760 + 86SER HB2 1297 4.488 4.749 1.678 + 86SER OG 1298 4.365 4.607 1.612 + 86SER HG 1299 4.430 4.573 1.544 + 86SER C 1300 4.364 4.701 1.958 + 86SER O 1301 4.356 4.591 2.014 + 87ASP N 1302 4.410 4.810 2.014 + 87ASP H 1303 4.415 4.892 1.956 + 87ASP CA 1304 4.452 4.825 2.154 + 87ASP HA 1305 4.501 4.744 2.187 + 87ASP CB 1306 4.547 4.947 2.160 + 87ASP HB1 1307 4.497 5.025 2.122 + 87ASP HB2 1308 4.626 4.926 2.102 + 87ASP CG 1309 4.601 4.990 2.294 + 87ASP OD1 1310 4.558 4.956 2.407 + 87ASP OD2 1311 4.703 5.066 2.288 + 87ASP C 1312 4.325 4.852 2.234 + 87ASP O 1313 4.273 4.962 2.210 + 88ILE N 1314 4.298 4.771 2.335 + 88ILE H 1315 4.359 4.695 2.357 + 88ILE CA 1316 4.175 4.795 2.415 + 88ILE HA 1317 4.117 4.836 2.346 + 88ILE CB 1318 4.123 4.660 2.476 + 88ILE HB 1319 4.038 4.674 2.527 + 88ILE CG2 1320 4.083 4.560 2.365 + 88ILE HG21 1321 4.050 4.475 2.406 + 88ILE HG22 1322 4.010 4.601 2.309 + 88ILE HG23 1323 4.162 4.541 2.307 + 88ILE CG1 1324 4.216 4.606 2.588 + 88ILE HG11 1325 4.252 4.686 2.636 + 88ILE HG12 1326 4.292 4.559 2.542 + 88ILE CD 1327 4.161 4.509 2.695 + 88ILE HD1 1328 4.234 4.484 2.759 + 88ILE HD2 1329 4.087 4.553 2.745 + 88ILE HD3 1330 4.127 4.426 2.650 + 88ILE C 1331 4.182 4.900 2.525 + 88ILE O 1332 4.084 4.917 2.601 + 89THR N 1333 4.299 4.965 2.544 + 89THR H 1334 4.376 4.944 2.484 + 89THR CA 1335 4.315 5.063 2.650 + 89THR HA 1336 4.315 5.001 2.729 + 89THR CB 1337 4.451 5.145 2.639 + 89THR HB 1338 4.459 5.202 2.557 + 89THR CG2 1339 4.466 5.241 2.758 + 89THR HG21 1340 4.552 5.292 2.749 + 89THR HG22 1341 4.390 5.305 2.759 + 89THR HG23 1342 4.468 5.189 2.843 + 89THR OG1 1343 4.558 5.045 2.630 + 89THR HG1 1344 4.647 5.092 2.622 + 89THR C 1345 4.199 5.162 2.665 + 89THR O 1346 4.159 5.184 2.781 + 90ALA N 1347 4.175 5.234 2.557 + 90ALA H 1348 4.227 5.216 2.474 + 90ALA CA 1349 4.073 5.341 2.557 + 90ALA HA 1350 4.106 5.410 2.622 + 90ALA CB 1351 4.062 5.407 2.419 + 90ALA HB1 1352 3.991 5.479 2.422 + 90ALA HB2 1353 4.149 5.447 2.394 + 90ALA HB3 1354 4.036 5.338 2.351 + 90ALA C 1355 3.937 5.293 2.608 + 90ALA O 1356 3.862 5.353 2.688 + 91SER N 1357 3.899 5.178 2.551 + 91SER H 1358 3.961 5.136 2.485 + 91SER CA 1359 3.773 5.108 2.579 + 91SER HA 1360 3.703 5.173 2.555 + 91SER CB 1361 3.753 4.989 2.489 + 91SER HB1 1362 3.674 4.936 2.522 + 91SER HB2 1363 3.835 4.932 2.490 + 91SER OG 1364 3.727 5.019 2.355 + 91SER HG 1365 3.714 4.935 2.304 + 91SER C 1366 3.767 5.068 2.728 + 91SER O 1367 3.665 5.092 2.792 + 92VAL N 1368 3.875 5.007 2.776 + 92VAL H 1369 3.951 4.986 2.715 + 92VAL CA 1370 3.884 4.971 2.919 + 92VAL HA 1371 3.806 4.912 2.939 + 92VAL CB 1372 4.014 4.890 2.946 + 92VAL HB 1373 4.095 4.932 2.905 + 92VAL CG1 1374 4.037 4.885 3.096 + 92VAL HG11 1375 4.121 4.833 3.115 + 92VAL HG12 1376 4.047 4.978 3.131 + 92VAL HG13 1377 3.960 4.840 3.141 + 92VAL CG2 1378 4.003 4.753 2.882 + 92VAL HG21 1379 4.085 4.701 2.900 + 92VAL HG22 1380 3.924 4.705 2.921 + 92VAL HG23 1381 3.990 4.763 2.784 + 92VAL C 1382 3.872 5.097 3.007 + 92VAL O 1383 3.796 5.088 3.105 + 93ASN N 1384 3.944 5.202 2.972 + 93ASN H 1385 4.003 5.197 2.891 + 93ASN CA 1386 3.941 5.327 3.049 + 93ASN HA 1387 3.970 5.292 3.138 + 93ASN CB 1388 4.042 5.433 3.006 + 93ASN HB1 1389 4.018 5.520 3.049 + 93ASN HB2 1390 4.037 5.443 2.906 + 93ASN CG 1391 4.182 5.394 3.045 + 93ASN OD1 1392 4.280 5.453 2.993 + 93ASN ND2 1393 4.195 5.305 3.144 + 93ASN HD21 1394 4.115 5.267 3.188 + 93ASN HD22 1395 4.286 5.276 3.174 + 93ASN C 1396 3.799 5.389 3.061 + 93ASN O 1397 3.760 5.425 3.172 + 94CYS N 1398 3.734 5.386 2.948 + 94CYS H 1399 3.779 5.352 2.865 + 94CYS CA 1400 3.593 5.431 2.944 + 94CYS HA 1401 3.588 5.518 2.993 + 94CYS CB 1402 3.553 5.456 2.800 + 94CYS HB1 1403 3.559 5.367 2.755 + 94CYS HB2 1404 3.625 5.517 2.763 + 94CYS SG 1405 3.388 5.529 2.786 + 94CYS C 1406 3.503 5.339 3.023 + 94CYS O 1407 3.421 5.389 3.105 + 95ALA N 1408 3.519 5.209 3.007 + 95ALA H 1409 3.589 5.177 2.944 + 95ALA CA 1410 3.438 5.109 3.078 + 95ALA HA 1411 3.346 5.133 3.045 + 95ALA CB 1412 3.474 4.965 3.042 + 95ALA HB1 1413 3.415 4.903 3.093 + 95ALA HB2 1414 3.461 4.951 2.944 + 95ALA HB3 1415 3.569 4.948 3.066 + 95ALA C 1416 3.448 5.119 3.230 + 95ALA O 1417 3.346 5.104 3.299 + 96LYS N 1418 3.566 5.149 3.280 + 96LYS H 1419 3.645 5.152 3.218 + 96LYS CA 1420 3.588 5.177 3.423 + 96LYS HA 1421 3.555 5.094 3.467 + 96LYS CB 1422 3.734 5.197 3.458 + 96LYS HB1 1423 3.740 5.233 3.552 + 96LYS HB2 1424 3.774 5.263 3.394 + 96LYS CG 1425 3.812 5.065 3.451 + 96LYS HG1 1426 3.796 5.023 3.362 + 96LYS HG2 1427 3.780 5.003 3.523 + 96LYS CD 1428 3.961 5.093 3.469 + 96LYS HD1 1429 3.973 5.144 3.554 + 96LYS HD2 1430 3.991 5.149 3.392 + 96LYS CE 1431 4.044 4.968 3.475 + 96LYS HE1 1432 4.038 4.917 3.389 + 96LYS HE2 1433 4.015 4.909 3.550 + 96LYS NZ 1434 4.186 5.010 3.498 + 96LYS HZ1 1435 4.245 4.930 3.502 + 96LYS HZ2 1436 4.215 5.069 3.423 + 96LYS HZ3 1437 4.192 5.061 3.584 + 96LYS C 1438 3.504 5.298 3.472 + 96LYS O 1439 3.454 5.287 3.584 + 97LYS N 1440 3.490 5.396 3.386 + 97LYS H 1441 3.537 5.392 3.298 + 97LYS CA 1442 3.405 5.512 3.419 + 97LYS HA 1443 3.432 5.537 3.512 + 97LYS CB 1444 3.434 5.632 3.328 + 97LYS HB1 1445 3.374 5.707 3.355 + 97LYS HB2 1446 3.414 5.605 3.234 + 97LYS CG 1447 3.579 5.679 3.337 + 97LYS HG1 1448 3.638 5.602 3.315 + 97LYS HG2 1449 3.596 5.709 3.431 + 97LYS CD 1450 3.609 5.793 3.242 + 97LYS HD1 1451 3.566 5.877 3.276 + 97LYS HD2 1452 3.572 5.771 3.151 + 97LYS CE 1453 3.759 5.815 3.232 + 97LYS HE1 1454 3.802 5.737 3.187 + 97LYS HE2 1455 3.797 5.827 3.323 + 97LYS NZ 1456 3.782 5.938 3.152 + 97LYS HZ1 1457 3.879 5.955 3.144 + 97LYS HZ2 1458 3.741 5.927 3.061 + 97LYS HZ3 1459 3.737 6.016 3.197 + 97LYS C 1460 3.257 5.476 3.420 + 97LYS O 1461 3.181 5.518 3.508 + 98ILE N 1462 3.214 5.399 3.323 + 98ILE H 1463 3.280 5.367 3.255 + 98ILE CA 1464 3.076 5.355 3.308 + 98ILE HA 1465 3.023 5.440 3.310 + 98ILE CB 1466 3.056 5.286 3.171 + 98ILE HB 1467 3.121 5.211 3.163 + 98ILE CG2 1468 2.914 5.225 3.163 + 98ILE HG21 1469 2.901 5.180 3.074 + 98ILE HG22 1470 2.901 5.157 3.236 + 98ILE HG23 1471 2.845 5.297 3.173 + 98ILE CG1 1472 3.089 5.377 3.051 + 98ILE HG11 1473 3.181 5.415 3.066 + 98ILE HG12 1474 3.023 5.451 3.050 + 98ILE CD 1475 3.086 5.306 2.913 + 98ILE HD1 1476 3.109 5.372 2.842 + 98ILE HD2 1477 3.154 5.232 2.913 + 98ILE HD3 1478 2.996 5.269 2.896 + 98ILE C 1479 3.027 5.273 3.426 + 98ILE O 1480 2.931 5.311 3.494 + 99VAL N 1481 3.112 5.183 3.472 + 99VAL H 1482 3.204 5.179 3.435 + 99VAL CA 1483 3.073 5.087 3.577 + 99VAL HA 1484 2.980 5.056 3.560 + 99VAL CB 1485 3.164 4.963 3.567 + 99VAL HB 1486 3.168 4.933 3.472 + 99VAL CG1 1487 3.306 5.000 3.609 + 99VAL HG11 1488 3.365 4.919 3.602 + 99VAL HG12 1489 3.341 5.071 3.549 + 99VAL HG13 1490 3.305 5.033 3.703 + 99VAL CG2 1491 3.108 4.845 3.644 + 99VAL HG21 1492 3.170 4.767 3.636 + 99VAL HG22 1493 3.099 4.870 3.741 + 99VAL HG23 1494 3.019 4.821 3.607 + 99VAL C 1495 3.068 5.156 3.713 + 99VAL O 1496 2.999 5.107 3.804 + 100SER N 1497 3.145 5.261 3.722 + 100SER H 1498 3.198 5.289 3.643 + 100SER CA 1499 3.155 5.339 3.846 + 100SER HA 1500 3.148 5.276 3.924 + 100SER CB 1501 3.289 5.405 3.853 + 100SER HB1 1502 3.293 5.464 3.934 + 100SER HB2 1503 3.305 5.460 3.771 + 100SER OG 1504 3.395 5.312 3.863 + 100SER HG 1505 3.483 5.362 3.867 + 100SER C 1506 3.036 5.436 3.857 + 100SER O 1507 3.024 5.499 3.963 + 101ASP N 1508 2.955 5.446 3.756 + 101ASP H 1509 2.974 5.387 3.678 + 101ASP CA 1510 2.841 5.535 3.746 + 101ASP HA 1511 2.882 5.614 3.793 + 101ASP CB 1512 2.806 5.571 3.602 + 101ASP HB1 1513 2.727 5.515 3.573 + 101ASP HB2 1514 2.885 5.551 3.544 + 101ASP CG 1515 2.767 5.718 3.582 + 101ASP OD1 1516 2.849 5.808 3.608 + 101ASP OD2 1517 2.652 5.738 3.536 + 101ASP C 1518 2.717 5.504 3.829 + 101ASP O 1519 2.638 5.600 3.849 + 102GLY N 1520 2.697 5.380 3.870 + 102GLY H 1521 2.756 5.306 3.837 + 102GLY CA 1522 2.586 5.352 3.963 + 102GLY HA1 1523 2.526 5.431 3.963 + 102GLY HA2 1524 2.626 5.341 4.054 + 102GLY C 1525 2.506 5.227 3.931 + 102GLY O 1526 2.444 5.176 4.027 + 103ASN N 1527 2.504 5.186 3.805 + 103ASN H 1528 2.555 5.239 3.736 + 103ASN CA 1529 2.432 5.066 3.766 + 103ASN HA 1530 2.382 5.042 3.848 + 103ASN CB 1531 2.322 5.091 3.663 + 103ASN HB1 1532 2.358 5.067 3.573 + 103ASN HB2 1533 2.299 5.188 3.665 + 103ASN CG 1534 2.195 5.011 3.687 + 103ASN OD1 1535 2.175 4.944 3.791 + 103ASN ND2 1536 2.092 5.029 3.605 + 103ASN HD21 1537 2.099 5.094 3.530 + 103ASN HD22 1538 2.007 4.977 3.619 + 103ASN C 1539 2.523 4.946 3.741 + 103ASN O 1540 2.471 4.844 3.693 + 104GLY N 1541 2.648 4.957 3.781 + 104GLY H 1542 2.681 5.043 3.821 + 104GLY CA 1543 2.743 4.843 3.767 + 104GLY HA1 1544 2.711 4.768 3.825 + 104GLY HA2 1545 2.833 4.871 3.795 + 104GLY C 1546 2.741 4.800 3.620 + 104GLY O 1547 2.740 4.890 3.535 + 105MET N 1548 2.743 4.671 3.592 + 105MET H 1549 2.737 4.604 3.667 + 105MET CA 1550 2.753 4.623 3.453 + 105MET HA 1551 2.806 4.692 3.405 + 105MET CB 1552 2.829 4.491 3.444 + 105MET HB1 1553 2.815 4.452 3.353 + 105MET HB2 1554 2.792 4.428 3.513 + 105MET CG 1555 2.977 4.508 3.468 + 105MET HG1 1556 2.986 4.535 3.564 + 105MET HG2 1557 3.004 4.584 3.409 + 105MET SD 1558 3.062 4.352 3.430 + 105MET CE 1559 3.062 4.357 3.251 + 105MET HE1 1560 3.106 4.275 3.216 + 105MET HE2 1561 2.967 4.359 3.219 + 105MET HE3 1562 3.111 4.438 3.220 + 105MET C 1563 2.616 4.617 3.387 + 105MET O 1564 2.615 4.578 3.268 + 106ASN N 1565 2.514 4.670 3.455 + 106ASN H 1566 2.527 4.705 3.547 + 106ASN CA 1567 2.381 4.676 3.391 + 106ASN HA 1568 2.362 4.583 3.358 + 106ASN CB 1569 2.266 4.701 3.489 + 106ASN HB1 1570 2.182 4.720 3.439 + 106ASN HB2 1571 2.289 4.780 3.547 + 106ASN CG 1572 2.246 4.580 3.578 + 106ASN OD1 1573 2.208 4.473 3.525 + 106ASN ND2 1574 2.279 4.591 3.707 + 106ASN HD21 1575 2.316 4.677 3.741 + 106ASN HD22 1576 2.266 4.513 3.768 + 106ASN C 1577 2.382 4.769 3.270 + 106ASN O 1578 2.293 4.761 3.183 + 107ALA N 1579 2.487 4.851 3.261 + 107ALA H 1580 2.553 4.853 3.336 + 107ALA CA 1581 2.507 4.937 3.144 + 107ALA HA 1582 2.422 4.991 3.137 + 107ALA CB 1583 2.631 5.023 3.169 + 107ALA HB1 1584 2.645 5.083 3.090 + 107ALA HB2 1585 2.616 5.079 3.251 + 107ALA HB3 1586 2.711 4.964 3.182 + 107ALA C 1587 2.526 4.860 3.014 + 107ALA O 1588 2.497 4.915 2.907 + 108TRP N 1589 2.562 4.732 3.024 + 108TRP H 1590 2.579 4.693 3.115 + 108TRP CA 1591 2.578 4.648 2.905 + 108TRP HA 1592 2.582 4.709 2.826 + 108TRP CB 1593 2.708 4.569 2.915 + 108TRP HB1 1594 2.707 4.493 2.849 + 108TRP HB2 1595 2.720 4.532 3.007 + 108TRP CG 1596 2.825 4.660 2.884 + 108TRP CD1 1597 2.861 4.709 2.761 + 108TRP HD1 1598 2.816 4.686 2.674 + 108TRP NE1 1599 2.966 4.796 2.776 + 108TRP HE1 1600 3.013 4.842 2.701 + 108TRP CE2 1601 2.996 4.810 2.908 + 108TRP CZ2 1602 3.092 4.884 2.973 + 108TRP HZ2 1603 3.159 4.938 2.921 + 108TRP CH2 1604 3.093 4.882 3.111 + 108TRP HH2 1605 3.161 4.936 3.160 + 108TRP CZ3 1606 3.001 4.806 3.184 + 108TRP HZ3 1607 3.004 4.808 3.284 + 108TRP CE3 1608 2.908 4.729 3.119 + 108TRP HE3 1609 2.843 4.673 3.171 + 108TRP CD2 1610 2.905 4.730 2.980 + 108TRP C 1611 2.457 4.555 2.892 + 108TRP O 1612 2.448 4.468 2.980 + 109VAL N 1613 2.374 4.578 2.791 + 109VAL H 1614 2.392 4.649 2.723 + 109VAL CA 1615 2.251 4.496 2.783 + 109VAL HA 1616 2.211 4.504 2.875 + 109VAL CB 1617 2.139 4.552 2.695 + 109VAL HB 1618 2.115 4.640 2.737 + 109VAL CG1 1619 2.185 4.577 2.553 + 109VAL HG11 1620 2.109 4.613 2.499 + 109VAL HG12 1621 2.260 4.642 2.553 + 109VAL HG13 1622 2.216 4.490 2.512 + 109VAL CG2 1623 2.014 4.464 2.695 + 109VAL HG21 1624 1.946 4.506 2.636 + 109VAL HG22 1625 2.039 4.374 2.660 + 109VAL HG23 1626 1.979 4.456 2.788 + 109VAL C 1627 2.282 4.347 2.769 + 109VAL O 1628 2.217 4.267 2.840 + 110ALA N 1629 2.381 4.317 2.688 + 110ALA H 1630 2.431 4.392 2.646 + 110ALA CA 1631 2.421 4.179 2.657 + 110ALA HA 1632 2.336 4.135 2.629 + 110ALA CB 1633 2.510 4.164 2.535 + 110ALA HB1 1634 2.533 4.067 2.523 + 110ALA HB2 1635 2.463 4.198 2.455 + 110ALA HB3 1636 2.595 4.216 2.549 + 110ALA C 1637 2.474 4.110 2.782 + 110ALA O 1638 2.444 3.991 2.798 + 111TRP N 1639 2.536 4.184 2.870 + 111TRP H 1640 2.556 4.280 2.847 + 111TRP CA 1641 2.579 4.136 3.001 + 111TRP HA 1642 2.635 4.055 2.981 + 111TRP CB 1643 2.674 4.231 3.074 + 111TRP HB1 1644 2.628 4.319 3.087 + 111TRP HB2 1645 2.757 4.244 3.020 + 111TRP CG 1646 2.711 4.176 3.206 + 111TRP CD1 1647 2.810 4.084 3.230 + 111TRP HD1 1648 2.874 4.049 3.160 + 111TRP NE1 1649 2.809 4.045 3.362 + 111TRP HE1 1650 2.875 3.982 3.405 + 111TRP CE2 1651 2.704 4.108 3.424 + 111TRP CZ2 1652 2.674 4.114 3.559 + 111TRP HZ2 1653 2.726 4.062 3.627 + 111TRP CH2 1654 2.569 4.197 3.597 + 111TRP HH2 1655 2.537 4.196 3.692 + 111TRP CZ3 1656 2.507 4.281 3.505 + 111TRP HZ3 1657 2.434 4.343 3.536 + 111TRP CE3 1658 2.543 4.282 3.372 + 111TRP HE3 1659 2.497 4.342 3.306 + 111TRP CD2 1660 2.645 4.195 3.331 + 111TRP C 1661 2.458 4.094 3.086 + 111TRP O 1662 2.453 3.985 3.145 + 112ARG N 1663 2.368 4.190 3.104 + 112ARG H 1664 2.386 4.280 3.066 + 112ARG CA 1665 2.243 4.169 3.176 + 112ARG HA 1666 2.274 4.159 3.271 + 112ARG CB 1667 2.145 4.285 3.175 + 112ARG HB1 1668 2.082 4.267 3.250 + 112ARG HB2 1669 2.098 4.279 3.088 + 112ARG CG 1670 2.184 4.430 3.190 + 112ARG HG1 1671 2.240 4.457 3.112 + 112ARG HG2 1672 2.236 4.442 3.275 + 112ARG CD 1673 2.062 4.516 3.194 + 112ARG HD1 1674 2.085 4.604 3.235 + 112ARG HD2 1675 1.992 4.471 3.251 + 112ARG NE 1676 2.003 4.541 3.065 + 112ARG HE 1677 1.954 4.464 3.022 + 112ARG CZ 1678 2.003 4.656 2.995 + 112ARG NH1 1679 2.085 4.758 3.019 + 112ARG HH11 1680 2.151 4.753 3.094 + 112ARG HH12 1681 2.079 4.840 2.963 + 112ARG NH2 1682 1.896 4.687 2.921 + 112ARG HH21 1683 1.817 4.625 2.918 + 112ARG HH22 1684 1.895 4.772 2.868 + 112ARG C 1685 2.171 4.045 3.120 + 112ARG O 1686 2.125 3.965 3.203 + 113ASN N 1687 2.155 4.038 2.988 + 113ASN H 1688 2.201 4.105 2.929 + 113ASN CA 1689 2.070 3.932 2.930 + 113ASN HA 1690 1.990 3.933 2.989 + 113ASN CB 1691 2.022 3.964 2.789 + 113ASN HB1 1692 1.974 3.883 2.754 + 113ASN HB2 1693 2.101 3.985 2.732 + 113ASN CG 1694 1.924 4.082 2.783 + 113ASN OD1 1695 1.870 4.120 2.887 + 113ASN ND2 1696 1.908 4.142 2.665 + 113ASN HD21 1697 1.959 4.108 2.585 + 113ASN HD22 1698 1.847 4.219 2.657 + 113ASN C 1699 2.135 3.794 2.940 + 113ASN O 1700 2.069 3.691 2.962 + 114ARG N 1701 2.264 3.790 2.916 + 114ARG H 1702 2.316 3.876 2.921 + 114ARG CA 1703 2.341 3.670 2.885 + 114ARG HA 1704 2.273 3.597 2.902 + 114ARG CB 1705 2.386 3.677 2.739 + 114ARG HB1 1706 2.458 3.609 2.722 + 114ARG HB2 1707 2.422 3.768 2.718 + 114ARG CG 1708 2.264 3.647 2.651 + 114ARG HG1 1709 2.201 3.724 2.656 + 114ARG HG2 1710 2.218 3.565 2.684 + 114ARG CD 1711 2.297 3.626 2.508 + 114ARG HD1 1712 2.217 3.592 2.459 + 114ARG HD2 1713 2.372 3.559 2.500 + 114ARG NE 1714 2.339 3.754 2.451 + 114ARG HE 1715 2.397 3.814 2.507 + 114ARG CZ 1716 2.307 3.794 2.327 + 114ARG NH1 1717 2.263 3.709 2.235 + 114ARG HH11 1718 2.253 3.612 2.258 + 114ARG HH12 1719 2.239 3.741 2.144 + 114ARG NH2 1720 2.297 3.925 2.301 + 114ARG HH21 1721 2.316 3.992 2.374 + 114ARG HH22 1722 2.273 3.956 2.210 + 114ARG C 1723 2.451 3.630 2.980 + 114ARG O 1724 2.476 3.508 2.991 + 115CYS N 1725 2.499 3.723 3.058 + 115CYS H 1726 2.461 3.816 3.055 + 115CYS CA 1727 2.609 3.690 3.152 + 115CYS HA 1728 2.636 3.596 3.133 + 115CYS CB 1729 2.724 3.788 3.124 + 115CYS HB1 1730 2.796 3.761 3.187 + 115CYS HB2 1731 2.688 3.877 3.150 + 115CYS SG 1732 2.780 3.787 2.955 + 115CYS C 1733 2.569 3.679 3.297 + 115CYS O 1734 2.622 3.598 3.375 + 116LYS N 1735 2.496 3.778 3.343 + 116LYS H 1736 2.464 3.846 3.278 + 116LYS CA 1737 2.457 3.795 3.484 + 116LYS HA 1738 2.539 3.805 3.541 + 116LYS CB 1739 2.374 3.922 3.494 + 116LYS HB1 1740 2.299 3.917 3.428 + 116LYS HB2 1741 2.431 4.001 3.472 + 116LYS CG 1742 2.318 3.937 3.636 + 116LYS HG1 1743 2.389 3.972 3.696 + 116LYS HG2 1744 2.287 3.848 3.669 + 116LYS CD 1745 2.198 4.034 3.636 + 116LYS HD1 1746 2.115 3.984 3.618 + 116LYS HD2 1747 2.213 4.104 3.566 + 116LYS CE 1748 2.191 4.101 3.773 + 116LYS HE1 1749 2.272 4.158 3.787 + 116LYS HE2 1750 2.187 4.030 3.844 + 116LYS NZ 1751 2.069 4.187 3.786 + 116LYS HZ1 1752 2.069 4.229 3.877 + 116LYS HZ2 1753 2.072 4.259 3.716 + 116LYS HZ3 1754 1.987 4.132 3.773 + 116LYS C 1755 2.388 3.668 3.533 + 116LYS O 1756 2.306 3.609 3.460 + 117GLY N 1757 2.440 3.618 3.645 + 117GLY H 1758 2.520 3.661 3.686 + 117GLY CA 1759 2.381 3.499 3.708 + 117GLY HA1 1760 2.282 3.505 3.696 + 117GLY HA2 1761 2.402 3.503 3.805 + 117GLY C 1762 2.427 3.364 3.654 + 117GLY O 1763 2.375 3.259 3.697 + 118THR N 1764 2.513 3.366 3.555 + 118THR H 1765 2.542 3.455 3.517 + 118THR CA 1766 2.572 3.244 3.498 + 118THR HA 1767 2.513 3.168 3.529 + 118THR CB 1768 2.569 3.243 3.341 + 118THR HB 1769 2.582 3.152 3.300 + 118THR CG2 1770 2.434 3.296 3.288 + 118THR HG21 1771 2.434 3.295 3.188 + 118THR HG22 1772 2.359 3.239 3.322 + 118THR HG23 1773 2.421 3.390 3.320 + 118THR OG1 1774 2.681 3.326 3.297 + 118THR HG1 1775 2.682 3.329 3.197 + 118THR C 1776 2.711 3.224 3.557 + 118THR O 1777 2.757 3.298 3.646 + 119ASP N 1778 2.763 3.107 3.524 + 119ASP H 1779 2.707 3.042 3.474 + 119ASP CA 1780 2.901 3.069 3.557 + 119ASP HA 1781 2.921 3.099 3.650 + 119ASP CB 1782 2.918 2.917 3.555 + 119ASP HB1 1783 2.898 2.883 3.463 + 119ASP HB2 1784 2.853 2.877 3.620 + 119ASP CG 1785 3.059 2.876 3.593 + 119ASP OD1 1786 3.129 2.949 3.664 + 119ASP OD2 1787 3.096 2.761 3.561 + 119ASP C 1788 2.996 3.140 3.459 + 119ASP O 1789 3.043 3.081 3.359 + 120VAL N 1790 3.023 3.265 3.490 + 120VAL H 1791 2.980 3.304 3.572 + 120VAL CA 1792 3.114 3.350 3.412 + 120VAL HA 1793 3.080 3.332 3.319 + 120VAL CB 1794 3.096 3.499 3.444 + 120VAL HB 1795 3.164 3.551 3.391 + 120VAL CG1 1796 2.961 3.551 3.399 + 120VAL HG11 1797 2.953 3.649 3.422 + 120VAL HG12 1798 2.951 3.539 3.301 + 120VAL HG13 1799 2.888 3.501 3.446 + 120VAL CG2 1800 3.134 3.534 3.586 + 120VAL HG21 1801 3.121 3.632 3.601 + 120VAL HG22 1802 3.075 3.483 3.649 + 120VAL HG23 1803 3.228 3.510 3.603 + 120VAL C 1804 3.259 3.306 3.411 + 120VAL O 1805 3.335 3.346 3.322 + 121GLN N 1806 3.295 3.229 3.512 + 121GLN H 1807 3.230 3.214 3.586 + 121GLN CA 1808 3.427 3.164 3.520 + 121GLN HA 1809 3.496 3.237 3.515 + 121GLN CB 1810 3.434 3.091 3.654 + 121GLN HB1 1811 3.397 2.998 3.644 + 121GLN HB2 1812 3.381 3.141 3.723 + 121GLN CG 1813 3.578 3.082 3.698 + 121GLN HG1 1814 3.626 3.164 3.667 + 121GLN HG2 1815 3.619 3.001 3.657 + 121GLN CD 1816 3.586 3.074 3.848 + 121GLN OE1 1817 3.661 3.149 3.909 + 121GLN NE2 1818 3.513 2.973 3.896 + 121GLN HE21 1819 3.461 2.915 3.833 + 121GLN HE22 1820 3.510 2.956 3.995 + 121GLN C 1821 3.457 3.072 3.402 + 121GLN O 1822 3.572 3.053 3.363 + 122ALA N 1823 3.355 3.013 3.339 + 122ALA H 1824 3.264 3.019 3.382 + 122ALA CA 1825 3.364 2.941 3.212 + 122ALA HA 1826 3.412 2.857 3.237 + 122ALA CB 1827 3.224 2.910 3.159 + 122ALA HB1 1828 3.231 2.861 3.073 + 122ALA HB2 1829 3.175 2.854 3.226 + 122ALA HB3 1830 3.174 2.996 3.145 + 122ALA C 1831 3.444 3.015 3.104 + 122ALA O 1832 3.527 2.957 3.033 + 123TRP N 1833 3.427 3.148 3.105 + 123TRP H 1834 3.365 3.188 3.173 + 123TRP CA 1835 3.494 3.236 3.009 + 123TRP HA 1836 3.483 3.192 2.920 + 123TRP CB 1837 3.428 3.373 3.016 + 123TRP HB1 1838 3.477 3.438 2.958 + 123TRP HB2 1839 3.425 3.406 3.110 + 123TRP CG 1840 3.286 3.359 2.966 + 123TRP CD1 1841 3.172 3.347 3.040 + 123TRP HD1 1842 3.170 3.348 3.140 + 123TRP NE1 1843 3.065 3.332 2.958 + 123TRP HE1 1844 2.970 3.327 2.989 + 123TRP CE2 1845 3.108 3.325 2.829 + 123TRP CZ2 1846 3.036 3.304 2.712 + 123TRP HZ2 1847 2.937 3.294 2.713 + 123TRP CH2 1848 3.108 3.299 2.594 + 123TRP HH2 1849 3.060 3.280 2.508 + 123TRP CZ3 1850 3.247 3.319 2.592 + 123TRP HZ3 1851 3.295 3.323 2.505 + 123TRP CE3 1852 3.319 3.333 2.709 + 123TRP HE3 1853 3.420 3.337 2.708 + 123TRP CD2 1854 3.249 3.341 2.829 + 123TRP C 1855 3.647 3.244 3.020 + 123TRP O 1856 3.716 3.280 2.922 + 124ILE N 1857 3.698 3.213 3.136 + 124ILE H 1858 3.638 3.187 3.211 + 124ILE CA 1859 3.843 3.215 3.161 + 124ILE HA 1860 3.882 3.237 3.071 + 124ILE CB 1861 3.875 3.326 3.267 + 124ILE HB 1862 3.974 3.336 3.280 + 124ILE CG2 1863 3.826 3.466 3.220 + 124ILE HG21 1864 3.849 3.535 3.290 + 124ILE HG22 1865 3.874 3.490 3.134 + 124ILE HG23 1866 3.728 3.464 3.205 + 124ILE CG1 1867 3.820 3.284 3.404 + 124ILE HG11 1868 3.816 3.184 3.406 + 124ILE HG12 1869 3.727 3.321 3.412 + 124ILE CD 1870 3.898 3.330 3.530 + 124ILE HD1 1871 3.852 3.296 3.612 + 124ILE HD2 1872 3.990 3.293 3.527 + 124ILE HD3 1873 3.901 3.430 3.533 + 124ILE C 1874 3.911 3.082 3.183 + 124ILE O 1875 4.035 3.075 3.194 + 125ARG N 1876 3.832 2.976 3.194 + 125ARG H 1877 3.734 2.989 3.189 + 125ARG CA 1878 3.884 2.839 3.213 + 125ARG HA 1879 3.947 2.842 3.291 + 125ARG CB 1880 3.773 2.741 3.246 + 125ARG HB1 1881 3.803 2.649 3.222 + 125ARG HB2 1882 3.691 2.765 3.192 + 125ARG CG 1883 3.737 2.746 3.396 + 125ARG HG1 1884 3.684 2.829 3.416 + 125ARG HG2 1885 3.819 2.744 3.451 + 125ARG CD 1886 3.652 2.625 3.429 + 125ARG HD1 1887 3.710 2.553 3.467 + 125ARG HD2 1888 3.605 2.592 3.347 + 125ARG NE 1889 3.553 2.661 3.528 + 125ARG HE 1890 3.588 2.670 3.621 + 125ARG CZ 1891 3.422 2.685 3.514 + 125ARG NH1 1892 3.358 2.655 3.402 + 125ARG HH11 1893 3.408 2.613 3.325 + 125ARG HH12 1894 3.260 2.674 3.394 + 125ARG NH2 1895 3.364 2.741 3.620 + 125ARG HH21 1896 3.418 2.761 3.702 + 125ARG HH22 1897 3.266 2.762 3.618 + 125ARG C 1898 3.955 2.797 3.085 + 125ARG O 1899 3.908 2.820 2.972 + 126GLY N 1900 4.075 2.743 3.105 + 126GLY H 1901 4.110 2.736 3.198 + 126GLY CA 1902 4.154 2.692 2.991 + 126GLY HA1 1903 4.091 2.673 2.915 + 126GLY HA2 1904 4.199 2.607 3.019 + 126GLY C 1905 4.258 2.793 2.947 + 126GLY O 1906 4.346 2.759 2.866 + 127CYS N 1907 4.259 2.908 3.011 + 127CYS H 1908 4.194 2.921 3.086 + 127CYS CA 1909 4.347 3.019 2.977 + 127CYS HA 1910 4.383 3.003 2.885 + 127CYS CB 1911 4.269 3.149 2.980 + 127CYS HB1 1912 4.339 3.217 2.958 + 127CYS HB2 1913 4.246 3.157 3.077 + 127CYS SG 1914 4.126 3.168 2.875 + 127CYS C 1915 4.466 3.024 3.074 + 127CYS O 1916 4.445 3.013 3.195 + 128ARG N 1917 4.583 3.055 3.020 + 128ARG H 1918 4.590 3.061 2.921 + 128ARG CA 1919 4.701 3.082 3.103 + 128ARG HA 1920 4.690 3.033 3.189 + 128ARG CB 1921 4.830 3.016 3.052 + 128ARG HB1 1922 4.907 3.073 3.079 + 128ARG HB2 1923 4.825 3.011 2.952 + 128ARG CG 1924 4.847 2.875 3.109 + 128ARG HG1 1925 4.909 2.822 3.049 + 128ARG HG2 1926 4.759 2.829 3.115 + 128ARG CD 1927 4.907 2.877 3.246 + 128ARG HD1 1928 4.898 2.787 3.288 + 128ARG HD2 1929 4.859 2.945 3.302 + 128ARG NE 1930 5.049 2.912 3.245 + 128ARG HE 1931 5.108 2.854 3.188 + 128ARG CZ 1932 5.110 3.012 3.309 + 128ARG NH1 1933 5.049 3.093 3.396 + 128ARG HH11 1934 4.951 3.080 3.415 + 128ARG HH12 1935 5.100 3.166 3.442 + 128ARG NH2 1936 5.238 3.041 3.278 + 128ARG HH21 1937 5.286 2.989 3.208 + 128ARG HH22 1938 5.285 3.116 3.326 + 128ARG C 1939 4.707 3.230 3.139 + 128ARG O 1940 4.722 3.315 3.050 + 129LEU N 1941 4.654 3.257 3.258 + 129LEU H 1942 4.626 3.181 3.316 + 129LEU CA 1943 4.634 3.394 3.308 + 129LEU HA 1944 4.653 3.458 3.233 + 129LEU CB 1945 4.489 3.420 3.346 + 129LEU HB1 1946 4.488 3.482 3.423 + 129LEU HB2 1947 4.450 3.332 3.374 + 129LEU CG 1948 4.393 3.478 3.243 + 129LEU HG 1949 4.394 3.577 3.253 + 129LEU CD1 1950 4.436 3.452 3.100 + 129LEU HD11 1951 4.370 3.493 3.038 + 129LEU HD12 1952 4.525 3.492 3.084 + 129LEU HD13 1953 4.440 3.353 3.084 + 129LEU CD2 1954 4.255 3.418 3.270 + 129LEU HD21 1955 4.190 3.455 3.203 + 129LEU HD22 1956 4.260 3.319 3.261 + 129LEU HD23 1957 4.227 3.443 3.362 + 129LEU C 1958 4.736 3.424 3.418 + 129LEU OC1 1959 4.847 3.454 3.372 + 129LEU OC2 1960 4.698 3.414 3.537 + 130SOL OW 1961 0.230 0.628 0.113 + 130SOL HW1 1962 0.137 0.626 0.150 + 130SOL HW2 1963 0.231 0.589 0.021 + 131SOL OW 1964 0.225 0.275 0.996 + 131SOL HW1 1965 0.260 0.258 1.088 + 131SOL HW2 1966 0.137 0.230 0.984 + 132SOL OW 1967 0.019 0.368 0.647 + 132SOL HW1 1968 -0.063 0.411 0.686 + 132SOL HW2 1969 -0.009 0.295 0.584 + 133SOL OW 1970 0.569 1.275 1.165 + 133SOL HW1 1971 0.476 1.268 1.128 + 133SOL HW2 1972 0.580 1.364 1.209 + 134SOL OW 1973 1.555 1.511 0.703 + 134SOL HW1 1974 1.498 1.495 0.784 + 134SOL HW2 1975 1.496 1.521 0.623 + 135SOL OW 1976 1.135 0.703 0.717 + 135SOL HW1 1977 1.192 0.781 0.692 + 135SOL HW2 1978 1.075 0.729 0.793 + 136SOL OW 1979 1.755 0.607 0.231 + 136SOL HW1 1980 1.743 0.594 0.132 + 136SOL HW2 1981 1.725 0.526 0.280 + 137SOL OW 1982 0.768 1.144 1.023 + 137SOL HW1 1983 0.690 1.161 1.083 + 137SOL HW2 1984 0.802 1.231 0.987 + 138SOL OW 1985 0.850 0.798 1.823 + 138SOL HW1 1986 0.846 0.874 1.888 + 138SOL HW2 1987 0.872 0.834 1.732 + 139SOL OW 1988 0.685 1.012 0.665 + 139SOL HW1 1989 0.754 0.996 0.735 + 139SOL HW2 1990 0.612 1.069 0.703 + 140SOL OW 1991 0.686 1.161 1.803 + 140SOL HW1 1992 0.746 1.240 1.817 + 140SOL HW2 1993 0.600 1.192 1.762 + 141SOL OW 1994 0.335 1.435 1.061 + 141SOL HW1 1995 0.257 1.404 1.008 + 141SOL HW2 1996 0.393 1.493 1.004 + 142SOL OW 1997 1.460 1.505 1.339 + 142SOL HW1 1998 1.484 1.599 1.365 + 142SOL HW2 1999 1.444 1.451 1.421 + 143SOL OW 2000 1.603 0.447 0.737 + 143SOL HW1 2001 1.529 0.493 0.687 + 143SOL HW2 2002 1.654 0.515 0.790 + 144SOL OW 2003 0.231 1.713 0.483 + 144SOL HW1 2004 0.265 1.790 0.537 + 144SOL HW2 2005 0.275 1.713 0.393 + 145SOL OW 2006 1.127 1.341 1.690 + 145SOL HW1 2007 1.174 1.341 1.778 + 145SOL HW2 2008 1.079 1.254 1.679 + 146SOL OW 2009 0.230 1.434 0.538 + 146SOL HW1 2010 0.204 1.530 0.538 + 146SOL HW2 2011 0.159 1.380 0.583 + 147SOL OW 2012 0.240 1.091 0.886 + 147SOL HW1 2013 0.254 1.007 0.938 + 147SOL HW2 2014 0.185 1.155 0.941 + 148SOL OW 2015 0.620 1.786 1.439 + 148SOL HW1 2016 0.528 1.769 1.474 + 148SOL HW2 2017 0.648 1.878 1.465 + 149SOL OW 2018 0.606 0.964 0.123 + 149SOL HW1 2019 0.613 1.048 0.069 + 149SOL HW2 2020 0.652 0.977 0.211 + 150SOL OW 2021 1.594 0.114 1.480 + 150SOL HW1 2022 1.576 0.181 1.408 + 150SOL HW2 2023 1.591 0.160 1.569 + 151SOL OW 2024 0.122 0.643 0.563 + 151SOL HW1 2025 0.077 0.555 0.580 + 151SOL HW2 2026 0.121 0.697 0.647 + 152SOL OW 2027 1.842 1.767 0.359 + 152SOL HW1 2028 1.896 1.738 0.439 + 152SOL HW2 2029 1.872 1.857 0.330 + 153SOL OW 2030 0.027 1.596 0.117 + 153SOL HW1 2031 0.008 1.500 0.138 + 153SOL HW2 2032 -0.006 1.654 0.192 + 154SOL OW 2033 1.689 0.922 0.612 + 154SOL HW1 2034 1.784 0.893 0.620 + 154SOL HW2 2035 1.681 0.987 0.537 + 155SOL OW 2036 1.641 1.108 0.432 + 155SOL HW1 2037 1.727 1.110 0.380 + 155SOL HW2 2038 1.655 1.155 0.520 + 156SOL OW 2039 0.113 0.737 1.597 + 156SOL HW1 2040 0.201 0.724 1.642 + 156SOL HW2 2041 0.100 0.834 1.575 + 157SOL OW 2042 0.613 1.365 0.726 + 157SOL HW1 2043 0.564 1.278 0.735 + 157SOL HW2 2044 0.590 1.408 0.639 + 158SOL OW 2045 1.293 1.228 1.423 + 158SOL HW1 2046 1.330 1.155 1.365 + 158SOL HW2 2047 1.345 1.233 1.508 + 159SOL OW 2048 0.809 0.004 0.502 + 159SOL HW1 2049 0.849 0.095 0.493 + 159SOL HW2 2050 0.709 0.012 0.508 + 160SOL OW 2051 0.197 0.976 1.264 + 160SOL HW1 2052 0.286 0.931 1.250 + 160SOL HW2 2053 0.124 0.911 1.245 + 161SOL OW 2054 1.525 0.999 0.190 + 161SOL HW1 2055 1.462 0.923 0.203 + 161SOL HW2 2056 1.573 1.017 0.276 + 162SOL OW 2057 1.187 1.792 1.616 + 162SOL HW1 2058 1.211 1.852 1.540 + 162SOL HW2 2059 1.194 1.697 1.586 + 163SOL OW 2060 1.466 1.417 0.953 + 163SOL HW1 2061 1.407 1.423 1.033 + 163SOL HW2 2062 1.451 1.329 0.907 + 164SOL OW 2063 1.667 1.714 0.572 + 164SOL HW1 2064 1.626 1.691 0.484 + 164SOL HW2 2065 1.649 1.640 0.637 + 165SOL OW 2066 0.598 0.729 0.270 + 165SOL HW1 2067 0.622 0.798 0.202 + 165SOL HW2 2068 0.520 0.762 0.324 + 166SOL OW 2069 1.281 0.345 0.944 + 166SOL HW1 2070 1.195 0.295 0.931 + 166SOL HW2 2071 1.343 0.291 1.000 + 167SOL OW 2072 1.576 1.662 0.307 + 167SOL HW1 2073 1.665 1.708 0.310 + 167SOL HW2 2074 1.555 1.638 0.212 + 168SOL OW 2075 0.807 0.605 1.465 + 168SOL HW1 2076 0.760 0.602 1.554 + 168SOL HW2 2077 0.756 0.550 1.399 + 169SOL OW 2078 1.394 0.469 1.674 + 169SOL HW1 2079 1.374 0.512 1.762 + 169SOL HW2 2080 1.472 0.407 1.683 + 170SOL OW 2081 0.973 0.890 1.572 + 170SOL HW1 2082 1.019 0.806 1.543 + 170SOL HW2 2083 0.917 0.924 1.497 + 171SOL OW 2084 0.991 0.410 1.242 + 171SOL HW1 2085 0.914 0.444 1.296 + 171SOL HW2 2086 0.957 0.359 1.163 + 172SOL OW 2087 1.041 0.701 0.429 + 172SOL HW1 2088 1.067 0.697 0.525 + 172SOL HW2 2089 0.956 0.650 0.415 + 173SOL OW 2090 0.076 0.811 0.789 + 173SOL HW1 2091 0.175 0.799 0.798 + 173SOL HW2 2092 0.052 0.906 0.810 + 174SOL OW 2093 0.130 1.821 1.571 + 174SOL HW1 2094 0.120 1.806 1.670 + 174SOL HW2 2095 0.044 1.857 1.535 + 175SOL OW 2096 0.865 0.348 0.195 + 175SOL HW1 2097 0.924 0.411 0.146 + 175SOL HW2 2098 0.884 0.254 0.166 + 176SOL OW 2099 1.719 0.585 1.831 + 176SOL HW1 2100 1.693 0.674 1.795 + 176SOL HW2 2101 1.717 0.517 1.758 + 177SOL OW 2102 1.362 1.144 0.545 + 177SOL HW1 2103 1.445 1.115 0.497 + 177SOL HW2 2104 1.313 1.211 0.489 + 178SOL OW 2105 0.550 0.196 0.885 + 178SOL HW1 2106 0.545 0.191 0.985 + 178SOL HW2 2107 0.552 0.292 0.856 + 179SOL OW 2108 1.008 1.456 0.477 + 179SOL HW1 2109 0.962 1.528 0.425 + 179SOL HW2 2110 1.004 1.476 0.575 + 180SOL OW 2111 0.351 1.801 0.853 + 180SOL HW1 2112 0.401 1.715 0.859 + 180SOL HW2 2113 0.416 1.878 0.850 + 181SOL OW 2114 1.795 1.066 0.873 + 181SOL HW1 2115 1.733 1.051 0.797 + 181SOL HW2 2116 1.743 1.077 0.958 + 182SOL OW 2117 1.227 1.550 1.506 + 182SOL HW1 2118 1.233 1.473 1.570 + 182SOL HW2 2119 1.175 1.524 1.426 + 183SOL OW 2120 0.321 0.943 0.242 + 183SOL HW1 2121 0.403 0.982 0.200 + 183SOL HW2 2122 0.294 0.861 0.193 + 184SOL OW 2123 1.458 0.735 0.728 + 184SOL HW1 2124 1.453 0.670 0.803 + 184SOL HW2 2125 1.538 0.794 0.741 + 185SOL OW 2126 0.461 1.266 1.727 + 185SOL HW1 2127 0.411 1.267 1.641 + 185SOL HW2 2128 0.398 1.248 1.803 + 186SOL OW 2129 1.111 1.776 0.237 + 186SOL HW1 2130 1.051 1.714 0.287 + 186SOL HW2 2131 1.142 1.732 0.152 + 187SOL OW 2132 0.202 0.285 1.498 + 187SOL HW1 2133 0.122 0.345 1.485 + 187SOL HW2 2134 0.192 0.236 1.584 + 188SOL OW 2135 1.632 1.377 0.081 + 188SOL HW1 2136 1.600 1.471 0.071 + 188SOL HW2 2137 1.556 1.314 0.069 + 189SOL OW 2138 0.464 1.743 0.323 + 189SOL HW1 2139 0.497 1.782 0.409 + 189SOL HW2 2140 0.540 1.736 0.258 + 190SOL OW 2141 1.400 0.107 0.426 + 190SOL HW1 2142 1.376 0.070 0.336 + 190SOL HW2 2143 1.499 0.123 0.430 + 191SOL OW 2144 0.249 1.785 1.241 + 191SOL HW1 2145 0.306 1.720 1.291 + 191SOL HW2 2146 0.233 1.752 1.148 + 192SOL OW 2147 0.940 1.698 0.904 + 192SOL HW1 2148 1.020 1.641 0.925 + 192SOL HW2 2149 0.891 1.658 0.827 + 193SOL OW 2150 0.382 0.700 0.480 + 193SOL HW1 2151 0.427 0.610 0.477 + 193SOL HW2 2152 0.288 0.689 0.513 + 194SOL OW 2153 1.547 0.222 1.729 + 194SOL HW1 2154 1.542 0.259 1.821 + 194SOL HW2 2155 1.475 0.153 1.717 + 195SOL OW 2156 0.614 0.122 0.117 + 195SOL HW1 2157 0.712 0.100 0.124 + 195SOL HW2 2158 0.583 0.105 0.024 + 196SOL OW 2159 0.888 1.514 1.195 + 196SOL HW1 2160 0.865 1.489 1.101 + 196SOL HW2 2161 0.949 1.445 1.234 + 197SOL OW 2162 1.351 0.590 1.433 + 197SOL HW1 2163 1.379 0.547 1.518 + 197SOL HW2 2164 1.376 0.686 1.434 + 198SOL OW 2165 0.803 1.402 0.924 + 198SOL HW1 2166 0.893 1.416 0.882 + 198SOL HW2 2167 0.732 1.404 0.853 + 199SOL OW 2168 0.922 0.503 0.899 + 199SOL HW1 2169 0.897 0.494 0.803 + 199SOL HW2 2170 0.970 0.421 0.930 + 200SOL OW 2171 0.539 0.064 0.512 + 200SOL HW1 2172 0.458 0.065 0.570 + 200SOL HW2 2173 0.542 0.147 0.457 + 201SOL OW 2174 1.434 1.188 0.041 + 201SOL HW1 2175 1.466 1.112 0.098 + 201SOL HW2 2176 1.342 1.215 0.071 + 202SOL OW 2177 0.297 0.035 0.171 + 202SOL HW1 2178 0.346 0.119 0.150 + 202SOL HW2 2179 0.359 -0.030 0.216 + 203SOL OW 2180 0.935 0.236 0.480 + 203SOL HW1 2181 0.887 0.277 0.402 + 203SOL HW2 2182 1.034 0.234 0.461 + 204SOL OW 2183 1.076 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OW 6332 1.135 4.427 2.579 + 1587SOL HW1 6333 1.192 4.505 2.554 + 1587SOL HW2 6334 1.075 4.453 2.655 + 1588SOL OW 6335 1.755 4.331 2.093 + 1588SOL HW1 6336 1.743 4.318 1.994 + 1588SOL HW2 6337 1.725 4.250 2.142 + 1589SOL OW 6338 0.768 4.868 2.885 + 1589SOL HW1 6339 0.690 4.885 2.945 + 1589SOL HW2 6340 0.802 4.955 2.849 + 1590SOL OW 6341 0.850 4.522 3.685 + 1590SOL HW1 6342 0.846 4.598 3.750 + 1590SOL HW2 6343 0.872 4.558 3.594 + 1591SOL OW 6344 0.685 4.736 2.527 + 1591SOL HW1 6345 0.754 4.720 2.597 + 1591SOL HW2 6346 0.612 4.793 2.565 + 1592SOL OW 6347 0.686 4.885 3.665 + 1592SOL HW1 6348 0.746 4.964 3.679 + 1592SOL HW2 6349 0.600 4.916 3.624 + 1593SOL OW 6350 0.335 5.159 2.923 + 1593SOL HW1 6351 0.257 5.128 2.870 + 1593SOL HW2 6352 0.393 5.217 2.866 + 1594SOL OW 6353 1.460 5.229 3.201 + 1594SOL HW1 6354 1.484 5.323 3.227 + 1594SOL HW2 6355 1.444 5.175 3.283 + 1595SOL OW 6356 0.438 4.116 3.361 + 1595SOL HW1 6357 0.520 4.060 3.370 + 1595SOL HW2 6358 0.357 4.058 3.365 + 1596SOL OW 6359 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1759SOL HW1 6849 1.526 5.555 2.752 + 1759SOL HW2 6850 1.559 5.485 2.896 + 1760SOL OW 6851 0.716 4.289 3.570 + 1760SOL HW1 6852 0.735 4.354 3.644 + 1760SOL HW2 6853 0.776 4.209 3.579 + 1761SOL OW 6854 1.450 4.944 3.495 + 1761SOL HW1 6855 1.441 4.934 3.594 + 1761SOL HW2 6856 1.546 4.937 3.469 + 1762SOL OW 6857 0.390 5.465 3.422 + 1762SOL HW1 6858 0.299 5.506 3.420 + 1762SOL HW2 6859 0.383 5.371 3.454 + 1763SOL OW 6860 1.674 4.607 3.116 + 1763SOL HW1 6861 1.647 4.518 3.079 + 1763SOL HW2 6862 1.675 4.675 3.043 + 1764SOL OW 6863 1.225 4.049 2.311 + 1764SOL HW1 6864 1.290 3.975 2.300 + 1764SOL HW2 6865 1.245 4.099 2.395 + 1765SOL OW 6866 0.594 4.469 2.514 + 1765SOL HW1 6867 0.644 4.554 2.495 + 1765SOL HW2 6868 0.506 4.471 2.466 + 1766SOL OW 6869 1.777 4.066 3.504 + 1766SOL HW1 6870 1.760 4.097 3.410 + 1766SOL HW2 6871 1.693 4.029 3.542 + 1767SOL OW 6872 1.730 4.658 3.379 + 1767SOL HW1 6873 1.768 4.749 3.394 + 1767SOL HW2 6874 1.722 4.641 3.280 + 1768SOL OW 6875 0.859 5.098 1.878 + 1768SOL HW1 6876 0.813 5.113 1.966 + 1768SOL HW2 6877 0.903 5.183 1.848 + 1769SOL OW 6878 0.661 5.514 2.815 + 1769SOL HW1 6879 0.615 5.602 2.802 + 1769SOL HW2 6880 0.760 5.526 2.808 + 1770SOL OW 6881 0.859 4.680 2.723 + 1770SOL HW1 6882 0.913 4.611 2.771 + 1770SOL HW2 6883 0.827 4.749 2.789 + 1771SOL OW 6884 1.083 4.708 1.949 + 1771SOL HW1 6885 1.060 4.761 1.867 + 1771SOL HW2 6886 1.164 4.652 1.930 + 1772SOL OW 6887 1.861 5.293 2.713 + 1772SOL HW1 6888 1.790 5.281 2.643 + 1772SOL HW2 6889 1.862 5.214 2.773 + 1773SOL OW 6890 0.221 5.038 3.706 + 1773SOL HW1 6891 0.156 4.965 3.685 + 1773SOL HW2 6892 0.225 5.052 3.804 + 1774SOL OW 6893 0.079 4.964 2.515 + 1774SOL HW1 6894 0.078 4.917 2.603 + 1774SOL HW2 6895 0.161 4.936 2.464 + 1775SOL OW 6896 0.672 5.115 3.486 + 1775SOL HW1 6897 0.594 5.065 3.524 + 1775SOL HW2 6898 0.669 5.210 3.517 + 1776SOL OW 6899 1.824 3.916 3.089 + 1776SOL HW1 6900 1.820 3.826 3.133 + 1776SOL HW2 6901 1.827 3.905 2.990 + 1777SOL OW 6902 0.428 4.148 2.382 + 1777SOL HW1 6903 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HW2 7012 1.872 5.581 4.054 + 1814SOL OW 7013 0.027 5.320 3.841 + 1814SOL HW1 7014 0.008 5.224 3.862 + 1814SOL HW2 7015 -0.006 5.378 3.916 + 1815SOL OW 7016 1.689 4.646 4.336 + 1815SOL HW1 7017 1.784 4.617 4.344 + 1815SOL HW2 7018 1.681 4.711 4.261 + 1816SOL OW 7019 1.641 4.832 4.156 + 1816SOL HW1 7020 1.727 4.834 4.104 + 1816SOL HW2 7021 1.655 4.879 4.244 + 1817SOL OW 7022 0.113 4.461 5.321 + 1817SOL HW1 7023 0.201 4.448 5.366 + 1817SOL HW2 7024 0.100 4.558 5.299 + 1818SOL OW 7025 0.613 5.089 4.450 + 1818SOL HW1 7026 0.564 5.002 4.459 + 1818SOL HW2 7027 0.590 5.132 4.363 + 1819SOL OW 7028 1.293 4.952 5.147 + 1819SOL HW1 7029 1.330 4.879 5.089 + 1819SOL HW2 7030 1.345 4.957 5.232 + 1820SOL OW 7031 0.809 3.728 4.226 + 1820SOL HW1 7032 0.849 3.819 4.217 + 1820SOL HW2 7033 0.709 3.736 4.232 + 1821SOL OW 7034 0.197 4.700 4.988 + 1821SOL HW1 7035 0.286 4.655 4.974 + 1821SOL HW2 7036 0.124 4.635 4.969 + 1822SOL OW 7037 1.525 4.723 3.914 + 1822SOL HW1 7038 1.462 4.647 3.927 + 1822SOL HW2 7039 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7148 1.351 4.314 5.157 + 1859SOL HW1 7149 1.379 4.271 5.242 + 1859SOL HW2 7150 1.376 4.410 5.158 + 1860SOL OW 7151 0.803 5.126 4.648 + 1860SOL HW1 7152 0.893 5.140 4.606 + 1860SOL HW2 7153 0.732 5.128 4.577 + 1861SOL OW 7154 0.922 4.227 4.623 + 1861SOL HW1 7155 0.897 4.218 4.527 + 1861SOL HW2 7156 0.970 4.145 4.654 + 1862SOL OW 7157 0.539 3.788 4.236 + 1862SOL HW1 7158 0.458 3.789 4.294 + 1862SOL HW2 7159 0.542 3.871 4.181 + 1863SOL OW 7160 1.434 4.912 3.765 + 1863SOL HW1 7161 1.466 4.836 3.822 + 1863SOL HW2 7162 1.342 4.939 3.795 + 1864SOL OW 7163 0.297 3.759 3.895 + 1864SOL HW1 7164 0.346 3.843 3.874 + 1864SOL HW2 7165 0.359 3.694 3.940 + 1865SOL OW 7166 0.935 3.960 4.204 + 1865SOL HW1 7167 0.887 4.001 4.126 + 1865SOL HW2 7168 1.034 3.958 4.185 + 1866SOL OW 7169 1.076 4.407 5.188 + 1866SOL HW1 7170 0.996 4.346 5.191 + 1866SOL HW2 7171 1.157 4.354 5.164 + 1867SOL OW 7172 1.227 5.294 4.517 + 1867SOL HW1 7173 1.248 5.368 4.452 + 1867SOL HW2 7174 1.295 5.294 4.590 + 1868SOL OW 7175 0.459 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4.101 + 1877SOL HW1 7203 1.899 4.493 4.165 + 1877SOL HW2 7204 1.819 4.506 4.023 + 1878SOL OW 7205 0.488 5.109 3.898 + 1878SOL HW1 7206 0.401 5.094 3.945 + 1878SOL HW2 7207 0.471 5.135 3.803 + 1879SOL OW 7208 1.664 5.004 4.381 + 1879SOL HW1 7209 1.763 5.012 4.395 + 1879SOL HW2 7210 1.619 5.088 4.412 + 1880SOL OW 7211 1.390 4.299 3.802 + 1880SOL HW1 7212 1.336 4.278 3.883 + 1880SOL HW2 7213 1.481 4.258 3.811 + 1881SOL OW 7214 0.527 3.980 4.052 + 1881SOL HW1 7215 0.554 3.921 3.977 + 1881SOL HW2 7216 0.527 4.075 4.021 + 1882SOL OW 7217 1.754 4.947 5.312 + 1882SOL HW1 7218 1.845 4.908 5.299 + 1882SOL HW2 7219 1.762 5.043 5.336 + 1883SOL OW 7220 1.064 5.071 5.064 + 1883SOL HW1 7221 0.984 5.048 5.119 + 1883SOL HW2 7222 1.147 5.045 5.113 + 1884SOL OW 7223 1.592 5.353 5.349 + 1884SOL HW1 7224 1.619 5.387 5.259 + 1884SOL HW2 7225 1.671 5.315 5.395 + 1885SOL OW 7226 1.111 4.919 4.824 + 1885SOL HW1 7227 1.071 4.963 4.905 + 1885SOL HW2 7228 1.070 4.956 4.741 + 1886SOL OW 7229 1.638 4.823 4.803 + 1886SOL HW1 7230 1.643 4.904 4.862 + 1886SOL HW2 7231 1.552 4.825 4.752 + 1887SOL OW 7232 0.915 3.813 5.126 + 1887SOL HW1 7233 0.940 3.793 5.031 + 1887SOL HW2 7234 0.987 3.869 5.168 + 1888SOL OW 7235 0.980 4.840 5.443 + 1888SOL HW1 7236 0.881 4.846 5.453 + 1888SOL HW2 7237 1.003 4.760 5.387 + 1889SOL OW 7238 0.705 4.774 4.092 + 1889SOL HW1 7239 0.691 4.781 4.191 + 1889SOL HW2 7240 0.789 4.723 4.074 + 1890SOL OW 7241 0.410 4.537 4.975 + 1890SOL HW1 7242 0.496 4.549 5.025 + 1890SOL HW2 7243 0.368 4.450 5.002 + 1891SOL OW 7244 1.274 4.110 4.986 + 1891SOL HW1 7245 1.295 4.184 5.050 + 1891SOL HW2 7246 1.185 4.127 4.943 + 1892SOL OW 7247 0.064 5.288 5.055 + 1892SOL HW1 7248 0.018 5.370 5.021 + 1892SOL HW2 7249 0.162 5.307 5.064 + 1893SOL OW 7250 0.367 4.824 4.225 + 1893SOL HW1 7251 0.360 4.907 4.169 + 1893SOL HW2 7252 0.371 4.744 4.165 + 1894SOL OW 7253 0.566 4.261 4.589 + 1894SOL HW1 7254 0.578 4.327 4.515 + 1894SOL HW2 7255 0.612 4.295 4.672 + 1895SOL OW 7256 1.252 5.072 4.112 + 1895SOL HW1 7257 1.302 5.149 4.152 + 1895SOL HW2 7258 1.157 5.074 4.144 + 1896SOL OW 7259 1.272 5.169 4.866 + 1896SOL HW1 7260 1.319 5.182 4.953 + 1896SOL HW2 7261 1.206 5.095 4.875 + 1897SOL OW 7262 1.582 4.363 4.196 + 1897SOL HW1 7263 1.551 4.424 4.269 + 1897SOL HW2 7264 1.632 4.415 4.127 + 1898SOL OW 7265 0.354 5.234 5.053 + 1898SOL HW1 7266 0.333 5.190 4.966 + 1898SOL HW2 7267 0.451 5.260 5.056 + 1899SOL OW 7268 0.402 4.475 5.322 + 1899SOL HW1 7269 0.470 4.530 5.275 + 1899SOL HW2 7270 0.442 4.387 5.349 + 1900SOL OW 7271 1.587 4.503 5.394 + 1900SOL HW1 7272 1.495 4.541 5.389 + 1900SOL HW2 7273 1.647 4.550 5.329 + 1901SOL OW 7274 1.013 3.829 5.494 + 1901SOL HW1 7275 1.019 3.914 5.442 + 1901SOL HW2 7276 1.045 3.753 5.437 + 1902SOL OW 7277 0.504 3.774 5.464 + 1902SOL HW1 7278 0.462 3.717 5.394 + 1902SOL HW2 7279 0.438 3.843 5.496 + 1903SOL OW 7280 0.573 4.594 4.753 + 1903SOL HW1 7281 0.617 4.683 4.744 + 1903SOL HW2 7282 0.510 4.594 4.830 + 1904SOL OW 7283 1.360 4.586 4.769 + 1904SOL HW1 7284 1.285 4.586 4.703 + 1904SOL HW2 7285 1.397 4.494 4.778 + 1905SOL OW 7286 1.209 4.249 3.999 + 1905SOL HW1 7287 1.222 4.165 4.053 + 1905SOL HW2 7288 1.180 4.323 4.059 + 1906SOL OW 7289 0.307 3.937 4.955 + 1906SOL HW1 7290 0.284 3.974 5.045 + 1906SOL HW2 7291 0.277 3.842 4.949 + 1907SOL OW 7292 0.037 5.034 5.006 + 1907SOL HW1 7293 0.090 4.985 5.074 + 1907SOL HW2 7294 0.059 5.132 5.011 + 1908SOL OW 7295 0.732 4.358 4.788 + 1908SOL HW1 7296 0.791 4.332 4.712 + 1908SOL HW2 7297 0.704 4.454 4.777 + 1909SOL OW 7298 1.728 4.659 5.578 + 1909SOL HW1 7299 1.682 4.652 5.489 + 1909SOL HW2 7300 1.666 4.703 5.644 + 1910SOL OW 7301 0.307 3.787 4.342 + 1910SOL HW1 7302 0.296 3.881 4.375 + 1910SOL HW2 7303 0.302 3.724 4.419 + 1911SOL OW 7304 1.622 4.091 4.098 + 1911SOL HW1 7305 1.624 4.015 4.162 + 1911SOL HW2 7306 1.574 4.168 4.138 + 1912SOL OW 7307 1.023 4.490 4.690 + 1912SOL HW1 7308 1.038 4.511 4.786 + 1912SOL HW2 7309 0.993 4.395 4.681 + 1913SOL OW 7310 0.980 5.297 5.424 + 1913SOL HW1 7311 0.960 5.341 5.336 + 1913SOL HW2 7312 1.019 5.206 5.408 + 1914SOL OW 7313 1.859 5.242 5.329 + 1914SOL HW1 7314 1.873 5.269 5.234 + 1914SOL HW2 7315 1.942 5.264 5.382 + 1915SOL OW 7316 0.350 4.622 5.528 + 1915SOL HW1 7317 0.426 4.666 5.576 + 1915SOL HW2 7318 0.385 4.575 5.446 + 1916SOL OW 7319 1.540 3.998 3.849 + 1916SOL HW1 7320 1.479 3.923 3.872 + 1916SOL HW2 7321 1.562 4.050 3.932 + 1917SOL OW 7322 1.303 4.562 3.766 + 1917SOL HW1 7323 1.337 4.469 3.781 + 1917SOL HW2 7324 1.321 4.589 3.671 + 1918SOL OW 7325 1.068 5.057 4.573 + 1918SOL HW1 7326 1.075 4.973 4.518 + 1918SOL HW2 7327 1.130 5.126 4.537 + 1919SOL OW 7328 0.319 4.534 4.673 + 1919SOL HW1 7329 0.412 4.570 4.678 + 1919SOL HW2 7330 0.313 4.449 4.725 + 1920SOL OW 7331 0.339 4.233 4.730 + 1920SOL HW1 7332 0.287 4.150 4.713 + 1920SOL HW2 7333 0.416 4.238 4.666 + 1921SOL OW 7334 1.138 4.104 5.402 + 1921SOL HW1 7335 1.093 4.167 5.466 + 1921SOL HW2 7336 1.231 4.135 5.385 + 1922SOL OW 7337 1.160 3.931 5.201 + 1922SOL HW1 7338 1.160 3.995 5.278 + 1922SOL HW2 7339 1.188 3.979 5.118 + 1923SOL OW 7340 0.008 5.050 3.924 + 1923SOL HW1 7341 -0.085 5.071 3.893 + 1923SOL HW2 7342 0.018 4.951 3.937 + 1924SOL OW 7343 0.088 5.525 4.651 + 1924SOL HW1 7344 0.046 5.439 4.624 + 1924SOL HW2 7345 0.182 5.528 4.617 + 1925SOL OW 7346 0.504 5.292 4.634 + 1925SOL HW1 7347 0.570 5.366 4.643 + 1925SOL HW2 7348 0.548 5.213 4.592 + 1926SOL OW 7349 1.002 4.520 4.962 + 1926SOL HW1 7350 1.043 4.488 5.048 + 1926SOL HW2 7351 0.906 4.493 4.959 + 1927SOL OW 7352 0.040 4.268 4.838 + 1927SOL HW1 7353 0.125 4.235 4.797 + 1927SOL HW2 7354 0.053 4.283 4.936 + 1928SOL OW 7355 0.189 4.244 5.446 + 1928SOL HW1 7356 0.248 4.204 5.376 + 1928SOL HW2 7357 0.131 4.315 5.405 + 1929SOL OW 7358 1.369 4.674 5.384 + 1929SOL HW1 7359 1.408 4.763 5.404 + 1929SOL HW2 7360 1.379 4.654 5.287 + 1930SOL OW 7361 0.815 4.296 4.049 + 1930SOL HW1 7362 0.822 4.207 4.003 + 1930SOL HW2 7363 0.721 4.330 4.041 + 1931SOL OW 7364 1.657 4.328 4.930 + 1931SOL HW1 7365 1.619 4.259 4.992 + 1931SOL HW2 7366 1.739 4.292 4.886 + 1932SOL OW 7367 0.252 5.288 5.468 + 1932SOL HW1 7368 0.222 5.345 5.544 + 1932SOL HW2 7369 0.245 5.191 5.494 + 1933SOL OW 7370 0.671 4.188 4.993 + 1933SOL HW1 7371 0.637 4.099 4.963 + 1933SOL HW2 7372 0.697 4.242 4.913 + 1934SOL OW 7373 0.930 5.402 5.189 + 1934SOL HW1 7374 0.906 5.384 5.094 + 1934SOL HW2 7375 0.960 5.496 5.199 + 1935SOL OW 7376 0.473 4.224 3.915 + 1935SOL HW1 7377 0.534 4.304 3.919 + 1935SOL HW2 7378 0.378 4.255 3.922 + 1936SOL OW 7379 0.159 4.861 5.190 + 1936SOL HW1 7380 0.181 4.800 5.266 + 1936SOL HW2 7381 0.169 4.812 5.104 + 1937SOL OW 7382 1.347 4.783 4.958 + 1937SOL HW1 7383 1.371 4.720 4.884 + 1937SOL HW2 7384 1.257 4.823 4.940 + 1938SOL OW 7385 1.302 4.579 4.033 + 1938SOL HW1 7386 1.216 4.548 4.075 + 1938SOL HW2 7387 1.298 4.565 3.934 + 1939SOL OW 7388 1.759 5.471 4.878 + 1939SOL HW1 7389 1.820 5.501 4.805 + 1939SOL HW2 7390 1.721 5.382 4.856 + 1940SOL OW 7391 1.252 5.455 4.852 + 1940SOL HW1 7392 1.336 5.460 4.798 + 1940SOL HW2 7393 1.229 5.359 4.870 + 1941SOL OW 7394 0.083 4.982 4.746 + 1941SOL HW1 7395 0.078 4.981 4.846 + 1941SOL HW2 7396 0.000 4.941 4.708 + 1942SOL OW 7397 0.688 5.386 5.440 + 1942SOL HW1 7398 0.632 5.467 5.449 + 1942SOL HW2 7399 0.740 5.390 5.354 + 1943SOL OW 7400 1.726 3.859 4.247 + 1943SOL HW1 7401 1.799 3.842 4.180 + 1943SOL HW2 7402 1.695 3.772 4.285 + 1944SOL OW 7403 1.388 5.297 4.201 + 1944SOL HW1 7404 1.455 5.309 4.127 + 1944SOL HW2 7405 1.348 5.386 4.224 + 1945SOL OW 7406 0.130 5.518 5.575 + 1945SOL HW1 7407 0.089 5.444 5.628 + 1945SOL HW2 7408 0.194 5.569 5.633 + 1946SOL OW 7409 1.280 4.651 4.396 + 1946SOL HW1 7410 1.340 4.570 4.398 + 1946SOL HW2 7411 1.320 4.720 4.336 + 1947SOL OW 7412 0.830 4.997 5.146 + 1947SOL HW1 7413 0.825 5.030 5.241 + 1947SOL HW2 7414 0.744 5.016 5.100 + 1948SOL OW 7415 0.672 5.340 3.878 + 1948SOL HW1 7416 0.681 5.350 3.779 + 1948SOL HW2 7417 0.632 5.251 3.899 + 1949SOL OW 7418 1.650 5.444 5.118 + 1949SOL HW1 7419 1.703 5.454 5.034 + 1949SOL HW2 7420 1.623 5.534 5.152 + 1950SOL OW 7421 1.841 3.899 4.687 + 1950SOL HW1 7422 1.880 3.814 4.651 + 1950SOL HW2 7423 1.743 3.901 4.668 + 1951SOL OW 7424 0.263 4.050 4.444 + 1951SOL HW1 7425 0.184 4.101 4.410 + 1951SOL HW2 7426 0.254 4.035 4.542 + 1952SOL OW 7427 1.194 5.336 3.755 + 1952SOL HW1 7428 1.200 5.243 3.792 + 1952SOL HW2 7429 1.135 5.336 3.675 + 1953SOL OW 7430 0.822 4.726 5.096 + 1953SOL HW1 7431 0.862 4.725 5.004 + 1953SOL HW2 7432 0.832 4.818 5.136 + 1954SOL OW 7433 0.916 4.634 4.015 + 1954SOL HW1 7434 0.979 4.672 3.947 + 1954SOL HW2 7435 0.956 4.551 4.054 + 1955SOL OW 7436 1.504 5.331 3.768 + 1955SOL HW1 7437 1.412 5.368 3.775 + 1955SOL HW2 7438 1.542 5.351 3.678 + 1956SOL OW 7439 0.372 5.012 5.214 + 1956SOL HW1 7440 0.359 5.105 5.180 + 1956SOL HW2 7441 0.288 4.960 5.201 + 1957SOL OW 7442 1.614 5.016 5.013 + 1957SOL HW1 7443 1.674 5.019 5.093 + 1957SOL HW2 7444 1.539 5.080 5.026 + 1958SOL OW 7445 1.039 4.822 4.420 + 1958SOL HW1 7446 0.969 4.775 4.474 + 1958SOL HW2 7447 1.098 4.754 4.377 + 1959SOL OW 7448 1.014 3.960 4.695 + 1959SOL HW1 7449 1.006 3.924 4.602 + 1959SOL HW2 7450 1.012 3.884 4.760 + 1960SOL OW 7451 0.590 5.211 4.215 + 1960SOL HW1 7452 0.632 5.153 4.145 + 1960SOL HW2 7453 0.546 5.290 4.171 + 1961SOL OW 7454 1.709 4.109 5.105 + 1961SOL HW1 7455 1.782 4.178 5.109 + 1961SOL HW2 7456 1.737 4.034 5.046 + 1962SOL OW 7457 0.255 5.072 4.014 + 1962SOL HW1 7458 0.159 5.073 3.987 + 1962SOL HW2 7459 0.267 5.125 4.098 + 1963SOL OW 7460 0.105 4.737 5.450 + 1963SOL HW1 7461 0.028 4.704 5.504 + 1963SOL HW2 7462 0.190 4.707 5.492 + 1964SOL OW 7463 0.672 3.927 5.213 + 1964SOL HW1 7464 0.762 3.911 5.173 + 1964SOL HW2 7465 0.680 3.932 5.312 + 1965SOL OW 7466 0.075 4.069 3.757 + 1965SOL HW1 7467 -0.017 4.041 3.728 + 1965SOL HW2 7468 0.106 4.146 3.701 + 1966SOL OW 7469 1.440 4.580 5.122 + 1966SOL HW1 7470 1.383 4.632 5.059 + 1966SOL HW2 7471 1.536 4.592 5.098 + 1967SOL OW 7472 0.072 3.890 4.042 + 1967SOL HW1 7473 0.055 3.973 3.988 + 1967SOL HW2 7474 0.162 3.853 4.020 + 1968SOL OW 7475 1.183 5.059 3.843 + 1968SOL HW1 7476 1.084 5.048 3.845 + 1968SOL HW2 7477 1.217 5.074 3.936 + 1969SOL OW 7478 0.613 4.566 5.155 + 1969SOL HW1 7479 0.669 4.647 5.138 + 1969SOL HW2 7480 0.672 4.486 5.158 + 1970SOL OW 7481 1.493 5.491 4.683 + 1970SOL HW1 7482 1.526 5.555 4.614 + 1970SOL HW2 7483 1.559 5.485 4.758 + 1971SOL OW 7484 0.716 4.289 5.432 + 1971SOL HW1 7485 0.735 4.354 5.506 + 1971SOL HW2 7486 0.776 4.209 5.441 + 1972SOL OW 7487 1.450 4.944 5.357 + 1972SOL HW1 7488 1.441 4.934 5.456 + 1972SOL HW2 7489 1.546 4.937 5.331 + 1973SOL OW 7490 0.390 5.465 5.284 + 1973SOL HW1 7491 0.299 5.506 5.282 + 1973SOL HW2 7492 0.383 5.371 5.316 + 1974SOL OW 7493 1.674 4.607 4.978 + 1974SOL HW1 7494 1.647 4.518 4.941 + 1974SOL HW2 7495 1.675 4.675 4.905 + 1975SOL OW 7496 1.225 4.049 4.173 + 1975SOL HW1 7497 1.290 3.975 4.162 + 1975SOL HW2 7498 1.245 4.099 4.257 + 1976SOL OW 7499 0.594 4.469 4.376 + 1976SOL HW1 7500 0.644 4.554 4.357 + 1976SOL HW2 7501 0.506 4.471 4.328 + 1977SOL OW 7502 1.777 4.066 5.366 + 1977SOL HW1 7503 1.760 4.097 5.272 + 1977SOL HW2 7504 1.693 4.029 5.404 + 1978SOL OW 7505 1.730 4.658 5.241 + 1978SOL HW1 7506 1.768 4.749 5.256 + 1978SOL HW2 7507 1.722 4.641 5.142 + 1979SOL OW 7508 0.859 5.098 3.740 + 1979SOL HW1 7509 0.813 5.113 3.828 + 1979SOL HW2 7510 0.903 5.183 3.710 + 1980SOL OW 7511 0.661 5.514 4.677 + 1980SOL HW1 7512 0.615 5.602 4.664 + 1980SOL HW2 7513 0.760 5.526 4.670 + 1981SOL OW 7514 0.859 4.680 4.585 + 1981SOL HW1 7515 0.913 4.611 4.633 + 1981SOL HW2 7516 0.827 4.749 4.651 + 1982SOL OW 7517 1.083 4.708 3.811 + 1982SOL HW1 7518 1.060 4.761 3.729 + 1982SOL HW2 7519 1.164 4.652 3.792 + 1983SOL OW 7520 1.861 5.293 4.575 + 1983SOL HW1 7521 1.790 5.281 4.505 + 1983SOL HW2 7522 1.862 5.214 4.635 + 1984SOL OW 7523 0.221 5.038 5.568 + 1984SOL HW1 7524 0.156 4.965 5.547 + 1984SOL HW2 7525 0.225 5.052 5.666 + 1985SOL OW 7526 0.079 4.964 4.377 + 1985SOL HW1 7527 0.078 4.917 4.465 + 1985SOL HW2 7528 0.161 4.936 4.326 + 1986SOL OW 7529 0.672 5.115 5.348 + 1986SOL HW1 7530 0.594 5.065 5.386 + 1986SOL HW2 7531 0.669 5.210 5.379 + 1987SOL OW 7532 1.824 3.916 4.951 + 1987SOL HW1 7533 1.820 3.826 4.995 + 1987SOL HW2 7534 1.827 3.905 4.852 + 1988SOL OW 7535 0.428 4.148 4.244 + 1988SOL HW1 7536 0.458 4.076 4.182 + 1988SOL HW2 7537 0.389 4.108 4.327 + 1989SOL OW 7538 1.705 5.211 4.828 + 1989SOL HW1 7539 1.612 5.186 4.801 + 1989SOL HW2 7540 1.731 5.161 4.910 + 1990SOL OW 7541 0.317 4.271 5.004 + 1990SOL HW1 7542 0.355 4.212 5.076 + 1990SOL HW2 7543 0.357 4.245 4.916 + 1991SOL OW 7544 0.812 5.310 4.411 + 1991SOL HW1 7545 0.844 5.320 4.317 + 1991SOL HW2 7546 0.733 5.248 4.413 + 1992SOL OW 7547 1.424 3.938 4.836 + 1992SOL HW1 7548 1.476 3.873 4.891 + 1992SOL HW2 7549 1.375 4.001 4.897 + 1993SOL OW 7550 1.001 3.758 4.878 + 1993SOL HW1 7551 0.938 3.686 4.847 + 1993SOL HW2 7552 1.094 3.722 4.878 + 1994SOL OW 7553 0.770 5.054 4.025 + 1994SOL HW1 7554 0.724 4.967 4.042 + 1994SOL HW2 7555 0.861 5.051 4.066 + 1995SOL OW 7556 0.618 5.291 5.008 + 1995SOL HW1 7557 0.613 5.373 5.065 + 1995SOL HW2 7558 0.707 5.288 4.963 + 1996SOL OW 7559 1.352 3.776 3.892 + 1996SOL HW1 7560 1.387 3.735 3.808 + 1996SOL HW2 7561 1.262 3.738 3.912 + 1997SOL OW 7562 1.300 4.177 4.415 + 1997SOL HW1 7563 1.241 4.257 4.419 + 1997SOL HW2 7564 1.315 4.142 4.508 + 1998SOL OW 7565 1.593 3.945 4.606 + 1998SOL HW1 7566 1.509 3.944 4.660 + 1998SOL HW2 7567 1.595 4.028 4.550 + 1999SOL OW 7568 0.039 4.801 4.024 + 1999SOL HW1 7569 0.138 4.790 4.015 + 1999SOL HW2 7570 -0.001 4.715 4.056 + 2000SOL OW 7571 0.875 5.370 4.061 + 2000SOL HW1 7572 0.798 5.335 4.007 + 2000SOL HW2 7573 0.843 5.441 4.123 + 2001SOL OW 7574 0.230 6.214 0.113 + 2001SOL HW1 7575 0.137 6.212 0.150 + 2001SOL HW2 7576 0.231 6.175 0.021 + 2002SOL OW 7577 0.225 5.861 0.996 + 2002SOL HW1 7578 0.260 5.844 1.088 + 2002SOL HW2 7579 0.137 5.816 0.984 + 2003SOL OW 7580 0.019 5.954 0.647 + 2003SOL HW1 7581 -0.063 5.997 0.686 + 2003SOL HW2 7582 -0.009 5.881 0.584 + 2004SOL OW 7583 1.135 6.289 0.717 + 2004SOL HW1 7584 1.192 6.367 0.692 + 2004SOL HW2 7585 1.075 6.315 0.793 + 2005SOL OW 7586 1.755 6.193 0.231 + 2005SOL HW1 7587 1.743 6.180 0.132 + 2005SOL HW2 7588 1.725 6.112 0.280 + 2006SOL OW 7589 0.850 6.384 1.823 + 2006SOL HW1 7590 0.846 6.460 1.888 + 2006SOL HW2 7591 0.872 6.420 1.732 + 2007SOL OW 7592 0.438 5.978 1.499 + 2007SOL HW1 7593 0.520 5.922 1.508 + 2007SOL HW2 7594 0.357 5.920 1.503 + 2008SOL OW 7595 1.603 6.033 0.737 + 2008SOL HW1 7596 1.529 6.079 0.687 + 2008SOL HW2 7597 1.654 6.101 0.790 + 2009SOL OW 7598 0.122 6.229 0.563 + 2009SOL HW1 7599 0.077 6.141 0.580 + 2009SOL HW2 7600 0.121 6.283 0.647 + 2010SOL OW 7601 1.689 6.508 0.612 + 2010SOL HW1 7602 1.784 6.479 0.620 + 2010SOL HW2 7603 1.681 6.573 0.537 + 2011SOL OW 7604 0.113 6.323 1.597 + 2011SOL HW1 7605 0.201 6.310 1.642 + 2011SOL HW2 7606 0.100 6.420 1.575 + 2012SOL OW 7607 0.809 5.590 0.502 + 2012SOL HW1 7608 0.849 5.681 0.493 + 2012SOL HW2 7609 0.709 5.598 0.508 + 2013SOL OW 7610 0.317 5.837 1.801 + 2013SOL HW1 7611 0.388 5.908 1.807 + 2013SOL HW2 7612 0.229 5.876 1.829 + 2014SOL OW 7613 0.598 6.315 0.270 + 2014SOL HW1 7614 0.622 6.384 0.202 + 2014SOL HW2 7615 0.520 6.348 0.324 + 2015SOL OW 7616 1.281 5.931 0.944 + 2015SOL HW1 7617 1.195 5.881 0.931 + 2015SOL HW2 7618 1.343 5.877 1.000 + 2016SOL OW 7619 0.807 6.191 1.465 + 2016SOL HW1 7620 0.760 6.188 1.554 + 2016SOL HW2 7621 0.756 6.136 1.399 + 2017SOL OW 7622 1.394 6.055 1.674 + 2017SOL HW1 7623 1.374 6.098 1.762 + 2017SOL HW2 7624 1.472 5.993 1.683 + 2018SOL OW 7625 0.973 6.476 1.572 + 2018SOL HW1 7626 1.019 6.392 1.543 + 2018SOL HW2 7627 0.917 6.510 1.497 + 2019SOL OW 7628 0.991 5.996 1.242 + 2019SOL HW1 7629 0.914 6.030 1.296 + 2019SOL HW2 7630 0.957 5.945 1.163 + 2020SOL OW 7631 1.041 6.287 0.429 + 2020SOL HW1 7632 1.067 6.283 0.525 + 2020SOL HW2 7633 0.956 6.236 0.415 + 2021SOL OW 7634 0.076 6.397 0.789 + 2021SOL HW1 7635 0.175 6.385 0.798 + 2021SOL HW2 7636 0.052 6.492 0.810 + 2022SOL OW 7637 0.865 5.934 0.195 + 2022SOL HW1 7638 0.924 5.997 0.146 + 2022SOL HW2 7639 0.884 5.840 0.166 + 2023SOL OW 7640 1.719 6.171 1.831 + 2023SOL HW1 7641 1.693 6.260 1.795 + 2023SOL HW2 7642 1.717 6.103 1.758 + 2024SOL OW 7643 0.550 5.782 0.885 + 2024SOL HW1 7644 0.545 5.777 0.985 + 2024SOL HW2 7645 0.552 5.878 0.856 + 2025SOL OW 7646 0.321 6.529 0.242 + 2025SOL HW1 7647 0.403 6.568 0.200 + 2025SOL HW2 7648 0.294 6.447 0.193 + 2026SOL OW 7649 1.458 6.321 0.728 + 2026SOL HW1 7650 1.453 6.256 0.803 + 2026SOL HW2 7651 1.538 6.380 0.741 + 2027SOL OW 7652 0.202 5.871 1.498 + 2027SOL HW1 7653 0.122 5.931 1.485 + 2027SOL HW2 7654 0.192 5.822 1.584 + 2028SOL OW 7655 1.400 5.693 0.426 + 2028SOL HW1 7656 1.376 5.656 0.336 + 2028SOL HW2 7657 1.499 5.709 0.430 + 2029SOL OW 7658 0.382 6.286 0.480 + 2029SOL HW1 7659 0.427 6.196 0.477 + 2029SOL HW2 7660 0.288 6.275 0.513 + 2030SOL OW 7661 1.547 5.808 1.729 + 2030SOL HW1 7662 1.542 5.845 1.821 + 2030SOL HW2 7663 1.475 5.739 1.717 + 2031SOL OW 7664 0.614 5.708 0.117 + 2031SOL HW1 7665 0.712 5.686 0.124 + 2031SOL HW2 7666 0.583 5.691 0.024 + 2032SOL OW 7667 0.781 5.850 1.749 + 2032SOL HW1 7668 0.848 5.789 1.792 + 2032SOL HW2 7669 0.708 5.869 1.814 + 2033SOL OW 7670 1.351 6.176 1.433 + 2033SOL HW1 7671 1.379 6.133 1.518 + 2033SOL HW2 7672 1.376 6.272 1.434 + 2034SOL OW 7673 0.922 6.089 0.899 + 2034SOL HW1 7674 0.897 6.080 0.803 + 2034SOL HW2 7675 0.970 6.007 0.930 + 2035SOL OW 7676 0.539 5.650 0.512 + 2035SOL HW1 7677 0.458 5.651 0.570 + 2035SOL HW2 7678 0.542 5.733 0.457 + 2036SOL OW 7679 0.297 5.621 0.171 + 2036SOL HW1 7680 0.346 5.705 0.150 + 2036SOL HW2 7681 0.359 5.556 0.216 + 2037SOL OW 7682 0.935 5.822 0.480 + 2037SOL HW1 7683 0.887 5.863 0.402 + 2037SOL HW2 7684 1.034 5.820 0.461 + 2038SOL OW 7685 1.076 6.269 1.464 + 2038SOL HW1 7686 0.996 6.208 1.467 + 2038SOL HW2 7687 1.157 6.216 1.440 + 2039SOL OW 7688 1.032 6.135 0.016 + 2039SOL HW1 7689 0.991 6.217 -0.023 + 2039SOL HW2 7690 1.096 6.161 0.089 + 2040SOL OW 7691 0.078 6.142 1.386 + 2040SOL HW1 7692 0.170 6.141 1.345 + 2040SOL HW2 7693 0.072 6.216 1.453 + 2041SOL OW 7694 0.561 5.808 1.147 + 2041SOL HW1 7695 0.599 5.724 1.184 + 2041SOL HW2 7696 0.473 5.827 1.191 + 2042SOL OW 7697 0.866 6.040 0.642 + 2042SOL HW1 7698 0.834 6.112 0.580 + 2042SOL HW2 7699 0.890 5.959 0.589 + 2043SOL OW 7700 1.017 5.625 0.753 + 2043SOL HW1 7701 0.945 5.630 0.684 + 2043SOL HW2 7702 0.993 5.556 0.822 + 2044SOL OW 7703 1.466 6.176 0.992 + 2044SOL HW1 7704 1.436 6.081 0.999 + 2044SOL HW2 7705 1.539 6.192 1.058 + 2045SOL OW 7706 1.857 6.419 0.377 + 2045SOL HW1 7707 1.899 6.355 0.441 + 2045SOL HW2 7708 1.819 6.368 0.299 + 2046SOL OW 7709 1.390 6.161 0.078 + 2046SOL HW1 7710 1.336 6.140 0.159 + 2046SOL HW2 7711 1.481 6.120 0.087 + 2047SOL OW 7712 0.527 5.842 0.328 + 2047SOL HW1 7713 0.554 5.783 0.253 + 2047SOL HW2 7714 0.527 5.937 0.297 + 2048SOL OW 7715 0.915 5.675 1.402 + 2048SOL HW1 7716 0.940 5.655 1.307 + 2048SOL HW2 7717 0.987 5.731 1.444 + 2049SOL OW 7718 0.410 6.399 1.251 + 2049SOL HW1 7719 0.496 6.411 1.301 + 2049SOL HW2 7720 0.368 6.312 1.278 + 2050SOL OW 7721 1.274 5.972 1.262 + 2050SOL HW1 7722 1.295 6.046 1.326 + 2050SOL HW2 7723 1.185 5.989 1.219 + 2051SOL OW 7724 0.566 6.123 0.865 + 2051SOL HW1 7725 0.578 6.189 0.791 + 2051SOL HW2 7726 0.612 6.157 0.948 + 2052SOL OW 7727 1.582 6.225 0.472 + 2052SOL HW1 7728 1.551 6.286 0.545 + 2052SOL HW2 7729 1.632 6.277 0.403 + 2053SOL OW 7730 0.402 6.337 1.598 + 2053SOL HW1 7731 0.470 6.392 1.551 + 2053SOL HW2 7732 0.442 6.249 1.625 + 2054SOL OW 7733 1.587 6.365 1.670 + 2054SOL HW1 7734 1.495 6.403 1.665 + 2054SOL HW2 7735 1.647 6.412 1.605 + 2055SOL OW 7736 1.013 5.691 1.770 + 2055SOL HW1 7737 1.019 5.776 1.718 + 2055SOL HW2 7738 1.045 5.615 1.713 + 2056SOL OW 7739 0.504 5.636 1.740 + 2056SOL HW1 7740 0.462 5.579 1.670 + 2056SOL HW2 7741 0.438 5.705 1.772 + 2057SOL OW 7742 0.573 6.456 1.029 + 2057SOL HW1 7743 0.617 6.545 1.020 + 2057SOL HW2 7744 0.510 6.456 1.106 + 2058SOL OW 7745 1.360 6.448 1.045 + 2058SOL HW1 7746 1.285 6.448 0.979 + 2058SOL HW2 7747 1.397 6.356 1.054 + 2059SOL OW 7748 1.209 6.111 0.275 + 2059SOL HW1 7749 1.222 6.027 0.329 + 2059SOL HW2 7750 1.180 6.185 0.335 + 2060SOL OW 7751 0.307 5.799 1.231 + 2060SOL HW1 7752 0.284 5.836 1.321 + 2060SOL HW2 7753 0.277 5.704 1.225 + 2061SOL OW 7754 0.732 6.220 1.064 + 2061SOL HW1 7755 0.791 6.194 0.988 + 2061SOL HW2 7756 0.704 6.316 1.053 + 2062SOL OW 7757 0.307 5.649 0.618 + 2062SOL HW1 7758 0.296 5.743 0.651 + 2062SOL HW2 7759 0.302 5.586 0.695 + 2063SOL OW 7760 1.622 5.953 0.374 + 2063SOL HW1 7761 1.624 5.877 0.438 + 2063SOL HW2 7762 1.574 6.030 0.414 + 2064SOL OW 7763 1.023 6.352 0.966 + 2064SOL HW1 7764 1.038 6.373 1.062 + 2064SOL HW2 7765 0.993 6.257 0.957 + 2065SOL OW 7766 0.350 6.484 1.804 + 2065SOL HW1 7767 0.426 6.528 1.852 + 2065SOL HW2 7768 0.385 6.437 1.722 + 2066SOL OW 7769 1.540 5.860 0.125 + 2066SOL HW1 7770 1.479 5.785 0.148 + 2066SOL HW2 7771 1.562 5.912 0.208 + 2067SOL OW 7772 1.303 6.424 0.042 + 2067SOL HW1 7773 1.337 6.331 0.057 + 2067SOL HW2 7774 1.321 6.451 -0.053 + 2068SOL OW 7775 0.319 6.396 0.949 + 2068SOL HW1 7776 0.412 6.432 0.954 + 2068SOL HW2 7777 0.313 6.311 1.001 + 2069SOL OW 7778 0.339 6.095 1.006 + 2069SOL HW1 7779 0.287 6.012 0.989 + 2069SOL HW2 7780 0.416 6.100 0.942 + 2070SOL OW 7781 1.138 5.966 1.678 + 2070SOL HW1 7782 1.093 6.029 1.742 + 2070SOL HW2 7783 1.231 5.997 1.661 + 2071SOL OW 7784 1.160 5.793 1.477 + 2071SOL HW1 7785 1.160 5.857 1.554 + 2071SOL HW2 7786 1.188 5.841 1.394 + 2072SOL OW 7787 1.002 6.382 1.238 + 2072SOL HW1 7788 1.043 6.350 1.324 + 2072SOL HW2 7789 0.906 6.355 1.235 + 2073SOL OW 7790 0.040 6.130 1.114 + 2073SOL HW1 7791 0.125 6.097 1.073 + 2073SOL HW2 7792 0.053 6.145 1.212 + 2074SOL OW 7793 0.189 6.106 1.722 + 2074SOL HW1 7794 0.248 6.066 1.652 + 2074SOL HW2 7795 0.131 6.177 1.681 + 2075SOL OW 7796 0.815 6.158 0.325 + 2075SOL HW1 7797 0.822 6.069 0.279 + 2075SOL HW2 7798 0.721 6.192 0.317 + 2076SOL OW 7799 1.657 6.190 1.206 + 2076SOL HW1 7800 1.619 6.121 1.268 + 2076SOL HW2 7801 1.739 6.154 1.162 + 2077SOL OW 7802 0.671 6.050 1.269 + 2077SOL HW1 7803 0.637 5.961 1.239 + 2077SOL HW2 7804 0.697 6.104 1.189 + 2078SOL OW 7805 0.473 6.086 0.191 + 2078SOL HW1 7806 0.534 6.166 0.195 + 2078SOL HW2 7807 0.378 6.117 0.198 + 2079SOL OW 7808 1.302 6.441 0.309 + 2079SOL HW1 7809 1.216 6.410 0.351 + 2079SOL HW2 7810 1.298 6.427 0.210 + 2080SOL OW 7811 0.903 5.672 0.133 + 2080SOL HW1 7812 0.954 5.673 0.047 + 2080SOL HW2 7813 0.959 5.630 0.204 + 2081SOL OW 7814 1.726 5.721 0.523 + 2081SOL HW1 7815 1.799 5.704 0.456 + 2081SOL HW2 7816 1.695 5.634 0.561 + 2082SOL OW 7817 1.280 6.513 0.672 + 2082SOL HW1 7818 1.340 6.432 0.674 + 2082SOL HW2 7819 1.320 6.582 0.612 + 2083SOL OW 7820 1.841 5.761 0.963 + 2083SOL HW1 7821 1.880 5.676 0.927 + 2083SOL HW2 7822 1.743 5.763 0.944 + 2084SOL OW 7823 0.263 5.912 0.720 + 2084SOL HW1 7824 0.184 5.963 0.686 + 2084SOL HW2 7825 0.254 5.897 0.818 + 2085SOL OW 7826 0.916 6.496 0.291 + 2085SOL HW1 7827 0.979 6.534 0.223 + 2085SOL HW2 7828 0.956 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2104SOL OW 7883 1.352 5.638 0.168 + 2104SOL HW1 7884 1.387 5.597 0.084 + 2104SOL HW2 7885 1.262 5.600 0.188 + 2105SOL OW 7886 1.300 6.039 0.691 + 2105SOL HW1 7887 1.241 6.119 0.695 + 2105SOL HW2 7888 1.315 6.004 0.784 + 2106SOL OW 7889 1.593 5.807 0.882 + 2106SOL HW1 7890 1.509 5.806 0.936 + 2106SOL HW2 7891 1.595 5.890 0.826 + 2107SOL OW 7892 0.230 6.214 1.975 + 2107SOL HW1 7893 0.137 6.212 2.012 + 2107SOL HW2 7894 0.231 6.175 1.883 + 2108SOL OW 7895 0.225 5.861 2.858 + 2108SOL HW1 7896 0.260 5.844 2.950 + 2108SOL HW2 7897 0.137 5.816 2.846 + 2109SOL OW 7898 0.019 5.954 2.509 + 2109SOL HW1 7899 -0.063 5.997 2.548 + 2109SOL HW2 7900 -0.009 5.881 2.446 + 2110SOL OW 7901 1.135 6.289 2.579 + 2110SOL HW1 7902 1.192 6.367 2.554 + 2110SOL HW2 7903 1.075 6.315 2.655 + 2111SOL OW 7904 1.755 6.193 2.093 + 2111SOL HW1 7905 1.743 6.180 1.994 + 2111SOL HW2 7906 1.725 6.112 2.142 + 2112SOL OW 7907 0.850 6.384 3.685 + 2112SOL HW1 7908 0.846 6.460 3.750 + 2112SOL HW2 7909 0.872 6.420 3.594 + 2113SOL OW 7910 0.438 5.978 3.361 + 2113SOL HW1 7911 0.520 5.922 3.370 + 2113SOL HW2 7912 0.357 5.920 3.365 + 2114SOL OW 7913 1.594 5.700 3.342 + 2114SOL HW1 7914 1.576 5.767 3.270 + 2114SOL HW2 7915 1.591 5.746 3.431 + 2115SOL OW 7916 0.122 6.229 2.425 + 2115SOL HW1 7917 0.077 6.141 2.442 + 2115SOL HW2 7918 0.121 6.283 2.509 + 2116SOL OW 7919 1.689 6.508 2.474 + 2116SOL HW1 7920 1.784 6.479 2.482 + 2116SOL HW2 7921 1.681 6.573 2.399 + 2117SOL OW 7922 0.113 6.323 3.459 + 2117SOL HW1 7923 0.201 6.310 3.504 + 2117SOL HW2 7924 0.100 6.420 3.437 + 2118SOL OW 7925 0.809 5.590 2.364 + 2118SOL HW1 7926 0.849 5.681 2.355 + 2118SOL HW2 7927 0.709 5.598 2.370 + 2119SOL OW 7928 0.317 5.837 3.663 + 2119SOL HW1 7929 0.388 5.908 3.669 + 2119SOL HW2 7930 0.229 5.876 3.691 + 2120SOL OW 7931 0.598 6.315 2.132 + 2120SOL HW1 7932 0.622 6.384 2.064 + 2120SOL HW2 7933 0.520 6.348 2.186 + 2121SOL OW 7934 1.281 5.931 2.806 + 2121SOL HW1 7935 1.195 5.881 2.793 + 2121SOL HW2 7936 1.343 5.877 2.862 + 2122SOL OW 7937 0.807 6.191 3.327 + 2122SOL HW1 7938 0.760 6.188 3.416 + 2122SOL HW2 7939 0.756 6.136 3.261 + 2123SOL OW 7940 1.394 6.055 3.536 + 2123SOL HW1 7941 1.374 6.098 3.624 + 2123SOL HW2 7942 1.472 5.993 3.545 + 2124SOL OW 7943 0.973 6.476 3.434 + 2124SOL HW1 7944 1.019 6.392 3.405 + 2124SOL HW2 7945 0.917 6.510 3.359 + 2125SOL OW 7946 0.991 5.996 3.104 + 2125SOL HW1 7947 0.914 6.030 3.158 + 2125SOL HW2 7948 0.957 5.945 3.025 + 2126SOL OW 7949 1.041 6.287 2.291 + 2126SOL HW1 7950 1.067 6.283 2.387 + 2126SOL HW2 7951 0.956 6.236 2.277 + 2127SOL OW 7952 0.076 6.397 2.651 + 2127SOL HW1 7953 0.175 6.385 2.660 + 2127SOL HW2 7954 0.052 6.492 2.672 + 2128SOL OW 7955 0.865 5.934 2.057 + 2128SOL HW1 7956 0.924 5.997 2.008 + 2128SOL HW2 7957 0.884 5.840 2.028 + 2129SOL OW 7958 1.719 6.171 3.693 + 2129SOL HW1 7959 1.693 6.260 3.657 + 2129SOL HW2 7960 1.717 6.103 3.620 + 2130SOL OW 7961 0.550 5.782 2.747 + 2130SOL HW1 7962 0.545 5.777 2.847 + 2130SOL HW2 7963 0.552 5.878 2.718 + 2131SOL OW 7964 0.321 6.529 2.104 + 2131SOL HW1 7965 0.403 6.568 2.062 + 2131SOL HW2 7966 0.294 6.447 2.055 + 2132SOL OW 7967 1.458 6.321 2.590 + 2132SOL HW1 7968 1.453 6.256 2.665 + 2132SOL HW2 7969 1.538 6.380 2.603 + 2133SOL OW 7970 0.202 5.871 3.360 + 2133SOL HW1 7971 0.122 5.931 3.347 + 2133SOL HW2 7972 0.192 5.822 3.446 + 2134SOL OW 7973 1.400 5.693 2.288 + 2134SOL HW1 7974 1.376 5.656 2.198 + 2134SOL HW2 7975 1.499 5.709 2.292 + 2135SOL OW 7976 0.382 6.286 2.342 + 2135SOL HW1 7977 0.427 6.196 2.339 + 2135SOL HW2 7978 0.288 6.275 2.375 + 2136SOL OW 7979 1.547 5.808 3.591 + 2136SOL HW1 7980 1.542 5.845 3.683 + 2136SOL HW2 7981 1.475 5.739 3.579 + 2137SOL OW 7982 0.614 5.708 1.979 + 2137SOL HW1 7983 0.712 5.686 1.986 + 2137SOL HW2 7984 0.583 5.691 1.886 + 2138SOL OW 7985 0.781 5.850 3.611 + 2138SOL HW1 7986 0.848 5.789 3.654 + 2138SOL HW2 7987 0.708 5.869 3.676 + 2139SOL OW 7988 1.351 6.176 3.295 + 2139SOL HW1 7989 1.379 6.133 3.380 + 2139SOL HW2 7990 1.376 6.272 3.296 + 2140SOL OW 7991 0.922 6.089 2.761 + 2140SOL HW1 7992 0.897 6.080 2.665 + 2140SOL HW2 7993 0.970 6.007 2.792 + 2141SOL OW 7994 0.539 5.650 2.374 + 2141SOL HW1 7995 0.458 5.651 2.432 + 2141SOL HW2 7996 0.542 5.733 2.319 + 2142SOL OW 7997 0.297 5.621 2.033 + 2142SOL HW1 7998 0.346 5.705 2.012 + 2142SOL HW2 7999 0.359 5.556 2.078 + 2143SOL OW 8000 0.935 5.822 2.342 + 2143SOL HW1 8001 0.887 5.863 2.264 + 2143SOL HW2 8002 1.034 5.820 2.323 + 2144SOL OW 8003 1.076 6.269 3.326 + 2144SOL HW1 8004 0.996 6.208 3.329 + 2144SOL HW2 8005 1.157 6.216 3.302 + 2145SOL OW 8006 1.032 6.135 1.878 + 2145SOL HW1 8007 0.991 6.217 1.839 + 2145SOL HW2 8008 1.096 6.161 1.951 + 2146SOL OW 8009 0.078 6.142 3.248 + 2146SOL HW1 8010 0.170 6.141 3.207 + 2146SOL HW2 8011 0.072 6.216 3.315 + 2147SOL OW 8012 0.561 5.808 3.009 + 2147SOL HW1 8013 0.599 5.724 3.046 + 2147SOL HW2 8014 0.473 5.827 3.053 + 2148SOL OW 8015 0.866 6.040 2.504 + 2148SOL HW1 8016 0.834 6.112 2.442 + 2148SOL HW2 8017 0.890 5.959 2.451 + 2149SOL OW 8018 1.017 5.625 2.615 + 2149SOL HW1 8019 0.945 5.630 2.546 + 2149SOL HW2 8020 0.993 5.556 2.684 + 2150SOL OW 8021 1.466 6.176 2.854 + 2150SOL HW1 8022 1.436 6.081 2.861 + 2150SOL HW2 8023 1.539 6.192 2.920 + 2151SOL OW 8024 1.857 6.419 2.239 + 2151SOL HW1 8025 1.899 6.355 2.303 + 2151SOL HW2 8026 1.819 6.368 2.161 + 2152SOL OW 8027 1.390 6.161 1.940 + 2152SOL HW1 8028 1.336 6.140 2.021 + 2152SOL HW2 8029 1.481 6.120 1.949 + 2153SOL OW 8030 0.527 5.842 2.190 + 2153SOL HW1 8031 0.554 5.783 2.115 + 2153SOL HW2 8032 0.527 5.937 2.159 + 2154SOL OW 8033 0.915 5.675 3.264 + 2154SOL HW1 8034 0.940 5.655 3.169 + 2154SOL HW2 8035 0.987 5.731 3.306 + 2155SOL OW 8036 0.410 6.399 3.113 + 2155SOL HW1 8037 0.496 6.411 3.163 + 2155SOL HW2 8038 0.368 6.312 3.140 + 2156SOL OW 8039 1.274 5.972 3.124 + 2156SOL HW1 8040 1.295 6.046 3.188 + 2156SOL HW2 8041 1.185 5.989 3.081 + 2157SOL OW 8042 0.566 6.123 2.727 + 2157SOL HW1 8043 0.578 6.189 2.653 + 2157SOL HW2 8044 0.612 6.157 2.810 + 2158SOL OW 8045 1.582 6.225 2.334 + 2158SOL HW1 8046 1.551 6.286 2.407 + 2158SOL HW2 8047 1.632 6.277 2.265 + 2159SOL OW 8048 0.402 6.337 3.460 + 2159SOL HW1 8049 0.470 6.392 3.413 + 2159SOL HW2 8050 0.442 6.249 3.487 + 2160SOL OW 8051 1.587 6.365 3.532 + 2160SOL HW1 8052 1.495 6.403 3.527 + 2160SOL HW2 8053 1.647 6.412 3.467 + 2161SOL OW 8054 1.013 5.691 3.632 + 2161SOL HW1 8055 1.019 5.776 3.580 + 2161SOL HW2 8056 1.045 5.615 3.575 + 2162SOL OW 8057 0.504 5.636 3.602 + 2162SOL HW1 8058 0.462 5.579 3.532 + 2162SOL HW2 8059 0.438 5.705 3.634 + 2163SOL OW 8060 0.573 6.456 2.891 + 2163SOL HW1 8061 0.617 6.545 2.882 + 2163SOL HW2 8062 0.510 6.456 2.968 + 2164SOL OW 8063 1.360 6.448 2.907 + 2164SOL HW1 8064 1.285 6.448 2.841 + 2164SOL HW2 8065 1.397 6.356 2.916 + 2165SOL OW 8066 1.209 6.111 2.137 + 2165SOL HW1 8067 1.222 6.027 2.191 + 2165SOL HW2 8068 1.180 6.185 2.197 + 2166SOL OW 8069 0.307 5.799 3.093 + 2166SOL HW1 8070 0.284 5.836 3.183 + 2166SOL HW2 8071 0.277 5.704 3.087 + 2167SOL OW 8072 0.732 6.220 2.926 + 2167SOL HW1 8073 0.791 6.194 2.850 + 2167SOL HW2 8074 0.704 6.316 2.915 + 2168SOL OW 8075 0.307 5.649 2.480 + 2168SOL HW1 8076 0.296 5.743 2.513 + 2168SOL HW2 8077 0.302 5.586 2.557 + 2169SOL OW 8078 1.622 5.953 2.236 + 2169SOL HW1 8079 1.624 5.877 2.300 + 2169SOL HW2 8080 1.574 6.030 2.276 + 2170SOL OW 8081 1.023 6.352 2.828 + 2170SOL HW1 8082 1.038 6.373 2.924 + 2170SOL HW2 8083 0.993 6.257 2.819 + 2171SOL OW 8084 0.350 6.484 3.666 + 2171SOL HW1 8085 0.426 6.528 3.714 + 2171SOL HW2 8086 0.385 6.437 3.584 + 2172SOL OW 8087 1.540 5.860 1.987 + 2172SOL HW1 8088 1.479 5.785 2.010 + 2172SOL HW2 8089 1.562 5.912 2.070 + 2173SOL OW 8090 1.303 6.424 1.904 + 2173SOL HW1 8091 1.337 6.331 1.919 + 2173SOL HW2 8092 1.321 6.451 1.809 + 2174SOL OW 8093 0.319 6.396 2.811 + 2174SOL HW1 8094 0.412 6.432 2.816 + 2174SOL HW2 8095 0.313 6.311 2.863 + 2175SOL OW 8096 0.339 6.095 2.868 + 2175SOL HW1 8097 0.287 6.012 2.851 + 2175SOL HW2 8098 0.416 6.100 2.804 + 2176SOL OW 8099 1.138 5.966 3.540 + 2176SOL HW1 8100 1.093 6.029 3.604 + 2176SOL HW2 8101 1.231 5.997 3.523 + 2177SOL OW 8102 1.160 5.793 3.339 + 2177SOL HW1 8103 1.160 5.857 3.416 + 2177SOL HW2 8104 1.188 5.841 3.256 + 2178SOL OW 8105 1.002 6.382 3.100 + 2178SOL HW1 8106 1.043 6.350 3.186 + 2178SOL HW2 8107 0.906 6.355 3.097 + 2179SOL OW 8108 0.040 6.130 2.976 + 2179SOL HW1 8109 0.125 6.097 2.935 + 2179SOL HW2 8110 0.053 6.145 3.074 + 2180SOL OW 8111 0.189 6.106 3.584 + 2180SOL HW1 8112 0.248 6.066 3.514 + 2180SOL HW2 8113 0.131 6.177 3.543 + 2181SOL OW 8114 0.815 6.158 2.187 + 2181SOL HW1 8115 0.822 6.069 2.141 + 2181SOL HW2 8116 0.721 6.192 2.179 + 2182SOL OW 8117 1.657 6.190 3.068 + 2182SOL HW1 8118 1.619 6.121 3.130 + 2182SOL HW2 8119 1.739 6.154 3.024 + 2183SOL OW 8120 0.671 6.050 3.131 + 2183SOL HW1 8121 0.637 5.961 3.101 + 2183SOL HW2 8122 0.697 6.104 3.051 + 2184SOL OW 8123 0.473 6.086 2.053 + 2184SOL HW1 8124 0.534 6.166 2.057 + 2184SOL HW2 8125 0.378 6.117 2.060 + 2185SOL OW 8126 1.302 6.441 2.171 + 2185SOL HW1 8127 1.216 6.410 2.213 + 2185SOL HW2 8128 1.298 6.427 2.072 + 2186SOL OW 8129 1.726 5.721 2.385 + 2186SOL HW1 8130 1.799 5.704 2.318 + 2186SOL HW2 8131 1.695 5.634 2.423 + 2187SOL OW 8132 1.280 6.513 2.534 + 2187SOL HW1 8133 1.340 6.432 2.536 + 2187SOL HW2 8134 1.320 6.582 2.474 + 2188SOL OW 8135 1.841 5.761 2.825 + 2188SOL HW1 8136 1.880 5.676 2.789 + 2188SOL HW2 8137 1.743 5.763 2.806 + 2189SOL OW 8138 0.263 5.912 2.582 + 2189SOL HW1 8139 0.184 5.963 2.548 + 2189SOL HW2 8140 0.254 5.897 2.680 + 2190SOL OW 8141 0.916 6.496 2.153 + 2190SOL HW1 8142 0.979 6.534 2.085 + 2190SOL HW2 8143 0.956 6.413 2.192 + 2191SOL OW 8144 1.014 5.822 2.833 + 2191SOL HW1 8145 1.006 5.786 2.740 + 2191SOL HW2 8146 1.012 5.746 2.898 + 2192SOL OW 8147 1.709 5.971 3.243 + 2192SOL HW1 8148 1.782 6.040 3.247 + 2192SOL HW2 8149 1.737 5.896 3.184 + 2193SOL OW 8150 0.672 5.789 3.351 + 2193SOL HW1 8151 0.762 5.773 3.311 + 2193SOL HW2 8152 0.680 5.794 3.450 + 2194SOL OW 8153 0.075 5.931 1.895 + 2194SOL HW1 8154 -0.017 5.903 1.866 + 2194SOL HW2 8155 0.106 6.008 1.839 + 2195SOL OW 8156 1.440 6.442 3.260 + 2195SOL HW1 8157 1.383 6.494 3.197 + 2195SOL HW2 8158 1.536 6.454 3.236 + 2196SOL OW 8159 0.072 5.752 2.180 + 2196SOL HW1 8160 0.055 5.835 2.126 + 2196SOL HW2 8161 0.162 5.715 2.158 + 2197SOL OW 8162 0.613 6.428 3.293 + 2197SOL HW1 8163 0.669 6.509 3.276 + 2197SOL HW2 8164 0.672 6.348 3.296 + 2198SOL OW 8165 0.716 6.151 3.570 + 2198SOL HW1 8166 0.735 6.216 3.644 + 2198SOL HW2 8167 0.776 6.071 3.579 + 2199SOL OW 8168 1.674 6.469 3.116 + 2199SOL HW1 8169 1.647 6.380 3.079 + 2199SOL HW2 8170 1.675 6.537 3.043 + 2200SOL OW 8171 1.225 5.911 2.311 + 2200SOL HW1 8172 1.290 5.837 2.300 + 2200SOL HW2 8173 1.245 5.961 2.395 + 2201SOL OW 8174 0.594 6.331 2.514 + 2201SOL HW1 8175 0.644 6.416 2.495 + 2201SOL HW2 8176 0.506 6.333 2.466 + 2202SOL OW 8177 1.777 5.928 3.504 + 2202SOL HW1 8178 1.760 5.959 3.410 + 2202SOL HW2 8179 1.693 5.891 3.542 + 2203SOL OW 8180 0.859 6.542 2.723 + 2203SOL HW1 8181 0.913 6.473 2.771 + 2203SOL HW2 8182 0.827 6.611 2.789 + 2204SOL OW 8183 1.824 5.778 3.089 + 2204SOL HW1 8184 1.820 5.688 3.133 + 2204SOL HW2 8185 1.827 5.767 2.990 + 2205SOL OW 8186 0.428 6.010 2.382 + 2205SOL HW1 8187 0.458 5.938 2.320 + 2205SOL HW2 8188 0.389 5.970 2.465 + 2206SOL OW 8189 0.317 6.133 3.142 + 2206SOL HW1 8190 0.355 6.074 3.214 + 2206SOL HW2 8191 0.357 6.107 3.054 + 2207SOL OW 8192 1.424 5.800 2.974 + 2207SOL HW1 8193 1.476 5.735 3.029 + 2207SOL HW2 8194 1.375 5.863 3.035 + 2208SOL OW 8195 1.001 5.620 3.016 + 2208SOL HW1 8196 0.938 5.548 2.985 + 2208SOL HW2 8197 1.094 5.584 3.016 + 2209SOL OW 8198 1.352 5.638 2.030 + 2209SOL HW1 8199 1.387 5.597 1.946 + 2209SOL HW2 8200 1.262 5.600 2.050 + 2210SOL OW 8201 1.300 6.039 2.553 + 2210SOL HW1 8202 1.241 6.119 2.557 + 2210SOL HW2 8203 1.315 6.004 2.646 + 2211SOL OW 8204 1.593 5.807 2.744 + 2211SOL HW1 8205 1.509 5.806 2.798 + 2211SOL HW2 8206 1.595 5.890 2.688 + 2212SOL OW 8207 0.230 6.214 3.837 + 2212SOL HW1 8208 0.137 6.212 3.874 + 2212SOL HW2 8209 0.231 6.175 3.745 + 2213SOL OW 8210 0.225 5.861 4.720 + 2213SOL HW1 8211 0.260 5.844 4.812 + 2213SOL HW2 8212 0.137 5.816 4.708 + 2214SOL OW 8213 0.019 5.954 4.371 + 2214SOL HW1 8214 -0.063 5.997 4.410 + 2214SOL HW2 8215 -0.009 5.881 4.308 + 2215SOL OW 8216 1.135 6.289 4.441 + 2215SOL HW1 8217 1.192 6.367 4.416 + 2215SOL HW2 8218 1.075 6.315 4.517 + 2216SOL OW 8219 1.755 6.193 3.955 + 2216SOL HW1 8220 1.743 6.180 3.856 + 2216SOL HW2 8221 1.725 6.112 4.004 + 2217SOL OW 8222 0.850 6.384 5.547 + 2217SOL HW1 8223 0.846 6.460 5.612 + 2217SOL HW2 8224 0.872 6.420 5.456 + 2218SOL OW 8225 0.438 5.978 5.223 + 2218SOL HW1 8226 0.520 5.922 5.232 + 2218SOL HW2 8227 0.357 5.920 5.227 + 2219SOL OW 8228 1.603 6.033 4.461 + 2219SOL HW1 8229 1.529 6.079 4.411 + 2219SOL HW2 8230 1.654 6.101 4.514 + 2220SOL OW 8231 1.594 5.700 5.204 + 2220SOL HW1 8232 1.576 5.767 5.132 + 2220SOL HW2 8233 1.591 5.746 5.293 + 2221SOL OW 8234 0.122 6.229 4.287 + 2221SOL HW1 8235 0.077 6.141 4.304 + 2221SOL HW2 8236 0.121 6.283 4.371 + 2222SOL OW 8237 1.689 6.508 4.336 + 2222SOL HW1 8238 1.784 6.479 4.344 + 2222SOL HW2 8239 1.681 6.573 4.261 + 2223SOL OW 8240 0.113 6.323 5.321 + 2223SOL HW1 8241 0.201 6.310 5.366 + 2223SOL HW2 8242 0.100 6.420 5.299 + 2224SOL OW 8243 0.809 5.590 4.226 + 2224SOL HW1 8244 0.849 5.681 4.217 + 2224SOL HW2 8245 0.709 5.598 4.232 + 2225SOL OW 8246 0.317 5.837 5.525 + 2225SOL HW1 8247 0.388 5.908 5.531 + 2225SOL HW2 8248 0.229 5.876 5.553 + 2226SOL OW 8249 0.598 6.315 3.994 + 2226SOL HW1 8250 0.622 6.384 3.926 + 2226SOL HW2 8251 0.520 6.348 4.048 + 2227SOL OW 8252 1.281 5.931 4.668 + 2227SOL HW1 8253 1.195 5.881 4.655 + 2227SOL HW2 8254 1.343 5.877 4.724 + 2228SOL OW 8255 0.807 6.191 5.189 + 2228SOL HW1 8256 0.760 6.188 5.278 + 2228SOL HW2 8257 0.756 6.136 5.123 + 2229SOL OW 8258 1.394 6.055 5.398 + 2229SOL HW1 8259 1.374 6.098 5.486 + 2229SOL HW2 8260 1.472 5.993 5.407 + 2230SOL OW 8261 0.973 6.476 5.296 + 2230SOL HW1 8262 1.019 6.392 5.267 + 2230SOL HW2 8263 0.917 6.510 5.221 + 2231SOL OW 8264 0.991 5.996 4.966 + 2231SOL HW1 8265 0.914 6.030 5.020 + 2231SOL HW2 8266 0.957 5.945 4.887 + 2232SOL OW 8267 1.041 6.287 4.153 + 2232SOL HW1 8268 1.067 6.283 4.249 + 2232SOL HW2 8269 0.956 6.236 4.139 + 2233SOL OW 8270 0.076 6.397 4.513 + 2233SOL HW1 8271 0.175 6.385 4.522 + 2233SOL HW2 8272 0.052 6.492 4.534 + 2234SOL OW 8273 0.865 5.934 3.919 + 2234SOL HW1 8274 0.924 5.997 3.870 + 2234SOL HW2 8275 0.884 5.840 3.890 + 2235SOL OW 8276 1.719 6.171 5.555 + 2235SOL HW1 8277 1.693 6.260 5.519 + 2235SOL HW2 8278 1.717 6.103 5.482 + 2236SOL OW 8279 0.550 5.782 4.609 + 2236SOL HW1 8280 0.545 5.777 4.709 + 2236SOL HW2 8281 0.552 5.878 4.580 + 2237SOL OW 8282 0.321 6.529 3.966 + 2237SOL HW1 8283 0.403 6.568 3.924 + 2237SOL HW2 8284 0.294 6.447 3.917 + 2238SOL OW 8285 1.458 6.321 4.452 + 2238SOL HW1 8286 1.453 6.256 4.527 + 2238SOL HW2 8287 1.538 6.380 4.465 + 2239SOL OW 8288 0.202 5.871 5.222 + 2239SOL HW1 8289 0.122 5.931 5.209 + 2239SOL HW2 8290 0.192 5.822 5.308 + 2240SOL OW 8291 1.400 5.693 4.150 + 2240SOL HW1 8292 1.376 5.656 4.060 + 2240SOL HW2 8293 1.499 5.709 4.154 + 2241SOL OW 8294 0.382 6.286 4.204 + 2241SOL HW1 8295 0.427 6.196 4.201 + 2241SOL HW2 8296 0.288 6.275 4.237 + 2242SOL OW 8297 1.547 5.808 5.453 + 2242SOL HW1 8298 1.542 5.845 5.545 + 2242SOL HW2 8299 1.475 5.739 5.441 + 2243SOL OW 8300 0.614 5.708 3.841 + 2243SOL HW1 8301 0.712 5.686 3.848 + 2243SOL HW2 8302 0.583 5.691 3.748 + 2244SOL OW 8303 0.781 5.850 5.473 + 2244SOL HW1 8304 0.848 5.789 5.516 + 2244SOL HW2 8305 0.708 5.869 5.538 + 2245SOL OW 8306 1.351 6.176 5.157 + 2245SOL HW1 8307 1.379 6.133 5.242 + 2245SOL HW2 8308 1.376 6.272 5.158 + 2246SOL OW 8309 0.922 6.089 4.623 + 2246SOL HW1 8310 0.897 6.080 4.527 + 2246SOL HW2 8311 0.970 6.007 4.654 + 2247SOL OW 8312 0.539 5.650 4.236 + 2247SOL HW1 8313 0.458 5.651 4.294 + 2247SOL HW2 8314 0.542 5.733 4.181 + 2248SOL OW 8315 0.297 5.621 3.895 + 2248SOL HW1 8316 0.346 5.705 3.874 + 2248SOL HW2 8317 0.359 5.556 3.940 + 2249SOL OW 8318 0.935 5.822 4.204 + 2249SOL HW1 8319 0.887 5.863 4.126 + 2249SOL HW2 8320 1.034 5.820 4.185 + 2250SOL OW 8321 1.076 6.269 5.188 + 2250SOL HW1 8322 0.996 6.208 5.191 + 2250SOL HW2 8323 1.157 6.216 5.164 + 2251SOL OW 8324 1.032 6.135 3.740 + 2251SOL HW1 8325 0.991 6.217 3.701 + 2251SOL HW2 8326 1.096 6.161 3.813 + 2252SOL OW 8327 0.078 6.142 5.110 + 2252SOL HW1 8328 0.170 6.141 5.069 + 2252SOL HW2 8329 0.072 6.216 5.177 + 2253SOL OW 8330 0.561 5.808 4.871 + 2253SOL HW1 8331 0.599 5.724 4.908 + 2253SOL HW2 8332 0.473 5.827 4.915 + 2254SOL OW 8333 0.866 6.040 4.366 + 2254SOL HW1 8334 0.834 6.112 4.304 + 2254SOL HW2 8335 0.890 5.959 4.313 + 2255SOL OW 8336 1.017 5.625 4.477 + 2255SOL HW1 8337 0.945 5.630 4.408 + 2255SOL HW2 8338 0.993 5.556 4.546 + 2256SOL OW 8339 1.466 6.176 4.716 + 2256SOL HW1 8340 1.436 6.081 4.723 + 2256SOL HW2 8341 1.539 6.192 4.782 + 2257SOL OW 8342 1.857 6.419 4.101 + 2257SOL HW1 8343 1.899 6.355 4.165 + 2257SOL HW2 8344 1.819 6.368 4.023 + 2258SOL OW 8345 1.390 6.161 3.802 + 2258SOL HW1 8346 1.336 6.140 3.883 + 2258SOL HW2 8347 1.481 6.120 3.811 + 2259SOL OW 8348 0.527 5.842 4.052 + 2259SOL HW1 8349 0.554 5.783 3.977 + 2259SOL HW2 8350 0.527 5.937 4.021 + 2260SOL OW 8351 0.915 5.675 5.126 + 2260SOL HW1 8352 0.940 5.655 5.031 + 2260SOL HW2 8353 0.987 5.731 5.168 + 2261SOL OW 8354 0.410 6.399 4.975 + 2261SOL HW1 8355 0.496 6.411 5.025 + 2261SOL HW2 8356 0.368 6.312 5.002 + 2262SOL OW 8357 1.274 5.972 4.986 + 2262SOL HW1 8358 1.295 6.046 5.050 + 2262SOL HW2 8359 1.185 5.989 4.943 + 2263SOL OW 8360 0.566 6.123 4.589 + 2263SOL HW1 8361 0.578 6.189 4.515 + 2263SOL HW2 8362 0.612 6.157 4.672 + 2264SOL OW 8363 1.582 6.225 4.196 + 2264SOL HW1 8364 1.551 6.286 4.269 + 2264SOL HW2 8365 1.632 6.277 4.127 + 2265SOL OW 8366 0.402 6.337 5.322 + 2265SOL HW1 8367 0.470 6.392 5.275 + 2265SOL HW2 8368 0.442 6.249 5.349 + 2266SOL OW 8369 1.587 6.365 5.394 + 2266SOL HW1 8370 1.495 6.403 5.389 + 2266SOL HW2 8371 1.647 6.412 5.329 + 2267SOL OW 8372 1.013 5.691 5.494 + 2267SOL HW1 8373 1.019 5.776 5.442 + 2267SOL HW2 8374 1.045 5.615 5.437 + 2268SOL OW 8375 0.504 5.636 5.464 + 2268SOL HW1 8376 0.462 5.579 5.394 + 2268SOL HW2 8377 0.438 5.705 5.496 + 2269SOL OW 8378 0.573 6.456 4.753 + 2269SOL HW1 8379 0.617 6.545 4.744 + 2269SOL HW2 8380 0.510 6.456 4.830 + 2270SOL OW 8381 1.360 6.448 4.769 + 2270SOL HW1 8382 1.285 6.448 4.703 + 2270SOL HW2 8383 1.397 6.356 4.778 + 2271SOL OW 8384 1.209 6.111 3.999 + 2271SOL HW1 8385 1.222 6.027 4.053 + 2271SOL HW2 8386 1.180 6.185 4.059 + 2272SOL OW 8387 0.307 5.799 4.955 + 2272SOL HW1 8388 0.284 5.836 5.045 + 2272SOL HW2 8389 0.277 5.704 4.949 + 2273SOL OW 8390 0.732 6.220 4.788 + 2273SOL HW1 8391 0.791 6.194 4.712 + 2273SOL HW2 8392 0.704 6.316 4.777 + 2274SOL OW 8393 0.307 5.649 4.342 + 2274SOL HW1 8394 0.296 5.743 4.375 + 2274SOL HW2 8395 0.302 5.586 4.419 + 2275SOL OW 8396 1.622 5.953 4.098 + 2275SOL HW1 8397 1.624 5.877 4.162 + 2275SOL HW2 8398 1.574 6.030 4.138 + 2276SOL OW 8399 1.023 6.352 4.690 + 2276SOL HW1 8400 1.038 6.373 4.786 + 2276SOL HW2 8401 0.993 6.257 4.681 + 2277SOL OW 8402 0.350 6.484 5.528 + 2277SOL HW1 8403 0.426 6.528 5.576 + 2277SOL HW2 8404 0.385 6.437 5.446 + 2278SOL OW 8405 1.540 5.860 3.849 + 2278SOL HW1 8406 1.479 5.785 3.872 + 2278SOL HW2 8407 1.562 5.912 3.932 + 2279SOL OW 8408 1.303 6.424 3.766 + 2279SOL HW1 8409 1.337 6.331 3.781 + 2279SOL HW2 8410 1.321 6.451 3.671 + 2280SOL OW 8411 0.319 6.396 4.673 + 2280SOL HW1 8412 0.412 6.432 4.678 + 2280SOL HW2 8413 0.313 6.311 4.725 + 2281SOL OW 8414 0.339 6.095 4.730 + 2281SOL HW1 8415 0.287 6.012 4.713 + 2281SOL HW2 8416 0.416 6.100 4.666 + 2282SOL OW 8417 1.138 5.966 5.402 + 2282SOL HW1 8418 1.093 6.029 5.466 + 2282SOL HW2 8419 1.231 5.997 5.385 + 2283SOL OW 8420 1.160 5.793 5.201 + 2283SOL HW1 8421 1.160 5.857 5.278 + 2283SOL HW2 8422 1.188 5.841 5.118 + 2284SOL OW 8423 1.002 6.382 4.962 + 2284SOL HW1 8424 1.043 6.350 5.048 + 2284SOL HW2 8425 0.906 6.355 4.959 + 2285SOL OW 8426 0.040 6.130 4.838 + 2285SOL HW1 8427 0.125 6.097 4.797 + 2285SOL HW2 8428 0.053 6.145 4.936 + 2286SOL OW 8429 0.189 6.106 5.446 + 2286SOL HW1 8430 0.248 6.066 5.376 + 2286SOL HW2 8431 0.131 6.177 5.405 + 2287SOL OW 8432 0.815 6.158 4.049 + 2287SOL HW1 8433 0.822 6.069 4.003 + 2287SOL HW2 8434 0.721 6.192 4.041 + 2288SOL OW 8435 1.657 6.190 4.930 + 2288SOL HW1 8436 1.619 6.121 4.992 + 2288SOL HW2 8437 1.739 6.154 4.886 + 2289SOL OW 8438 0.671 6.050 4.993 + 2289SOL HW1 8439 0.637 5.961 4.963 + 2289SOL HW2 8440 0.697 6.104 4.913 + 2290SOL OW 8441 0.473 6.086 3.915 + 2290SOL HW1 8442 0.534 6.166 3.919 + 2290SOL HW2 8443 0.378 6.117 3.922 + 2291SOL OW 8444 1.302 6.441 4.033 + 2291SOL HW1 8445 1.216 6.410 4.075 + 2291SOL HW2 8446 1.298 6.427 3.934 + 2292SOL OW 8447 1.726 5.721 4.247 + 2292SOL HW1 8448 1.799 5.704 4.180 + 2292SOL HW2 8449 1.695 5.634 4.285 + 2293SOL OW 8450 1.280 6.513 4.396 + 2293SOL HW1 8451 1.340 6.432 4.398 + 2293SOL HW2 8452 1.320 6.582 4.336 + 2294SOL OW 8453 1.841 5.761 4.687 + 2294SOL HW1 8454 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6.509 5.138 + 2303SOL HW2 8482 0.672 6.348 5.158 + 2304SOL OW 8483 0.716 6.151 5.432 + 2304SOL HW1 8484 0.735 6.216 5.506 + 2304SOL HW2 8485 0.776 6.071 5.441 + 2305SOL OW 8486 1.674 6.469 4.978 + 2305SOL HW1 8487 1.647 6.380 4.941 + 2305SOL HW2 8488 1.675 6.537 4.905 + 2306SOL OW 8489 1.225 5.911 4.173 + 2306SOL HW1 8490 1.290 5.837 4.162 + 2306SOL HW2 8491 1.245 5.961 4.257 + 2307SOL OW 8492 0.594 6.331 4.376 + 2307SOL HW1 8493 0.644 6.416 4.357 + 2307SOL HW2 8494 0.506 6.333 4.328 + 2308SOL OW 8495 1.777 5.928 5.366 + 2308SOL HW1 8496 1.760 5.959 5.272 + 2308SOL HW2 8497 1.693 5.891 5.404 + 2309SOL OW 8498 0.859 6.542 4.585 + 2309SOL HW1 8499 0.913 6.473 4.633 + 2309SOL HW2 8500 0.827 6.611 4.651 + 2310SOL OW 8501 1.824 5.778 4.951 + 2310SOL HW1 8502 1.820 5.688 4.995 + 2310SOL HW2 8503 1.827 5.767 4.852 + 2311SOL OW 8504 0.428 6.010 4.244 + 2311SOL HW1 8505 0.458 5.938 4.182 + 2311SOL HW2 8506 0.389 5.970 4.327 + 2312SOL OW 8507 0.317 6.133 5.004 + 2312SOL HW1 8508 0.355 6.074 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HW1 8808 1.880 1.646 1.297 + 2412SOL HW2 8809 2.024 1.583 1.340 + 2413SOL OW 8810 2.229 1.100 0.501 + 2413SOL HW1 8811 2.222 1.183 0.445 + 2413SOL HW2 8812 2.233 1.020 0.441 + 2414SOL OW 8813 2.428 0.537 0.865 + 2414SOL HW1 8814 2.440 0.603 0.791 + 2414SOL HW2 8815 2.474 0.571 0.948 + 2415SOL OW 8816 3.114 1.348 0.388 + 2415SOL HW1 8817 3.164 1.425 0.428 + 2415SOL HW2 8818 3.019 1.350 0.420 + 2416SOL OW 8819 3.134 1.445 1.142 + 2416SOL HW1 8820 3.181 1.458 1.229 + 2416SOL HW2 8821 3.068 1.371 1.151 + 2417SOL OW 8822 3.444 0.639 0.472 + 2417SOL HW1 8823 3.413 0.700 0.545 + 2417SOL HW2 8824 3.494 0.691 0.403 + 2418SOL OW 8825 2.216 1.510 1.329 + 2418SOL HW1 8826 2.195 1.466 1.242 + 2418SOL HW2 8827 2.313 1.536 1.332 + 2419SOL OW 8828 2.264 0.751 1.598 + 2419SOL HW1 8829 2.332 0.806 1.551 + 2419SOL HW2 8830 2.304 0.663 1.625 + 2420SOL OW 8831 3.449 0.779 1.670 + 2420SOL HW1 8832 3.357 0.817 1.665 + 2420SOL HW2 8833 3.509 0.826 1.605 + 2421SOL OW 8834 2.875 0.105 1.770 + 2421SOL HW1 8835 2.881 0.190 1.718 + 2421SOL HW2 8836 2.907 0.029 1.713 + 2422SOL OW 8837 2.366 0.050 1.740 + 2422SOL HW1 8838 2.324 -0.007 1.670 + 2422SOL HW2 8839 2.300 0.119 1.772 + 2423SOL OW 8840 2.435 0.870 1.029 + 2423SOL HW1 8841 2.479 0.959 1.020 + 2423SOL HW2 8842 2.372 0.870 1.106 + 2424SOL OW 8843 3.222 0.862 1.045 + 2424SOL HW1 8844 3.147 0.862 0.979 + 2424SOL HW2 8845 3.259 0.770 1.054 + 2425SOL OW 8846 3.071 0.525 0.275 + 2425SOL HW1 8847 3.084 0.441 0.329 + 2425SOL HW2 8848 3.042 0.599 0.335 + 2426SOL OW 8849 2.169 0.213 1.231 + 2426SOL HW1 8850 2.146 0.250 1.321 + 2426SOL HW2 8851 2.139 0.118 1.225 + 2427SOL OW 8852 1.899 1.310 1.282 + 2427SOL HW1 8853 1.952 1.261 1.350 + 2427SOL HW2 8854 1.921 1.408 1.287 + 2428SOL OW 8855 2.594 0.634 1.064 + 2428SOL HW1 8856 2.653 0.608 0.988 + 2428SOL HW2 8857 2.566 0.730 1.053 + 2429SOL OW 8858 3.590 0.935 1.854 + 2429SOL HW1 8859 3.544 0.928 1.765 + 2429SOL HW2 8860 3.528 0.979 1.920 + 2430SOL OW 8861 2.169 0.063 0.618 + 2430SOL HW1 8862 2.158 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HW2 8944 3.091 1.635 1.146 + 2458SOL OW 8945 1.945 1.258 1.022 + 2458SOL HW1 8946 1.940 1.257 1.122 + 2458SOL HW2 8947 1.862 1.217 0.984 + 2459SOL OW 8948 2.550 1.662 1.716 + 2459SOL HW1 8949 2.494 1.743 1.725 + 2459SOL HW2 8950 2.602 1.666 1.630 + 2460SOL OW 8951 3.588 0.135 0.523 + 2460SOL HW1 8952 3.661 0.118 0.456 + 2460SOL HW2 8953 3.557 0.048 0.561 + 2461SOL OW 8954 3.250 1.573 0.477 + 2461SOL HW1 8955 3.317 1.585 0.403 + 2461SOL HW2 8956 3.210 1.662 0.500 + 2462SOL OW 8957 1.992 1.794 1.851 + 2462SOL HW1 8958 1.951 1.720 1.904 + 2462SOL HW2 8959 2.056 1.845 1.909 + 2463SOL OW 8960 3.142 0.927 0.672 + 2463SOL HW1 8961 3.202 0.846 0.674 + 2463SOL HW2 8962 3.182 0.996 0.612 + 2464SOL OW 8963 2.692 1.273 1.422 + 2464SOL HW1 8964 2.687 1.306 1.517 + 2464SOL HW2 8965 2.606 1.292 1.376 + 2465SOL OW 8966 3.512 1.720 1.394 + 2465SOL HW1 8967 3.565 1.730 1.310 + 2465SOL HW2 8968 3.485 1.810 1.428 + 2466SOL OW 8969 3.703 0.175 0.963 + 2466SOL HW1 8970 3.742 0.090 0.927 + 2466SOL HW2 8971 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2494SOL OW 9053 2.083 1.314 1.844 + 2494SOL HW1 9054 2.018 1.241 1.823 + 2494SOL HW2 9055 2.087 1.328 1.942 + 2495SOL OW 9056 1.941 1.240 0.653 + 2495SOL HW1 9057 1.940 1.193 0.741 + 2495SOL HW2 9058 2.023 1.212 0.602 + 2496SOL OW 9059 2.534 1.391 1.624 + 2496SOL HW1 9060 2.456 1.341 1.662 + 2496SOL HW2 9061 2.531 1.486 1.655 + 2497SOL OW 9062 3.686 0.192 1.227 + 2497SOL HW1 9063 3.682 0.102 1.271 + 2497SOL HW2 9064 3.689 0.181 1.128 + 2498SOL OW 9065 2.290 0.424 0.520 + 2498SOL HW1 9066 2.320 0.352 0.458 + 2498SOL HW2 9067 2.251 0.384 0.603 + 2499SOL OW 9068 3.567 1.487 1.104 + 2499SOL HW1 9069 3.474 1.462 1.077 + 2499SOL HW2 9070 3.593 1.437 1.186 + 2500SOL OW 9071 2.179 0.547 1.280 + 2500SOL HW1 9072 2.217 0.488 1.352 + 2500SOL HW2 9073 2.219 0.521 1.192 + 2501SOL OW 9074 2.674 1.586 0.687 + 2501SOL HW1 9075 2.706 1.596 0.593 + 2501SOL HW2 9076 2.595 1.524 0.689 + 2502SOL OW 9077 3.286 0.214 1.112 + 2502SOL HW1 9078 3.338 0.149 1.167 + 2502SOL HW2 9079 3.237 0.277 1.173 + 2503SOL OW 9080 2.863 0.034 1.154 + 2503SOL HW1 9081 2.800 -0.038 1.123 + 2503SOL HW2 9082 2.956 -0.002 1.154 + 2504SOL OW 9083 2.632 1.330 0.301 + 2504SOL HW1 9084 2.586 1.243 0.318 + 2504SOL HW2 9085 2.723 1.327 0.342 + 2505SOL OW 9086 2.480 1.567 1.284 + 2505SOL HW1 9087 2.475 1.649 1.341 + 2505SOL HW2 9088 2.569 1.564 1.239 + 2506SOL OW 9089 3.162 0.453 0.691 + 2506SOL HW1 9090 3.103 0.533 0.695 + 2506SOL HW2 9091 3.177 0.418 0.784 + 2507SOL OW 9092 3.455 0.221 0.882 + 2507SOL HW1 9093 3.371 0.220 0.936 + 2507SOL HW2 9094 3.457 0.304 0.826 + 2508SOL OW 9095 1.901 1.077 0.300 + 2508SOL HW1 9096 2.000 1.066 0.291 + 2508SOL HW2 9097 1.861 0.991 0.332 + 2509SOL OW 9098 2.092 0.628 1.975 + 2509SOL HW1 9099 1.999 0.626 2.012 + 2509SOL HW2 9100 2.093 0.589 1.883 + 2510SOL OW 9101 2.087 0.275 2.858 + 2510SOL HW1 9102 2.122 0.258 2.950 + 2510SOL HW2 9103 1.999 0.230 2.846 + 2511SOL OW 9104 1.881 0.368 2.509 + 2511SOL HW1 9105 1.799 0.411 2.548 + 2511SOL HW2 9106 1.853 0.295 2.446 + 2512SOL OW 9107 2.431 1.275 3.027 + 2512SOL HW1 9108 2.338 1.268 2.990 + 2512SOL HW2 9109 2.442 1.364 3.071 + 2513SOL OW 9110 3.417 1.511 2.565 + 2513SOL HW1 9111 3.360 1.495 2.646 + 2513SOL HW2 9112 3.358 1.521 2.485 + 2514SOL OW 9113 2.997 0.703 2.579 + 2514SOL HW1 9114 3.054 0.781 2.554 + 2514SOL HW2 9115 2.937 0.729 2.655 + 2515SOL OW 9116 3.617 0.607 2.093 + 2515SOL HW1 9117 3.605 0.594 1.994 + 2515SOL HW2 9118 3.587 0.526 2.142 + 2516SOL OW 9119 2.630 1.144 2.885 + 2516SOL HW1 9120 2.552 1.161 2.945 + 2516SOL HW2 9121 2.664 1.231 2.849 + 2517SOL OW 9122 2.712 0.798 3.685 + 2517SOL HW1 9123 2.708 0.874 3.750 + 2517SOL HW2 9124 2.734 0.834 3.594 + 2518SOL OW 9125 2.547 1.012 2.527 + 2518SOL HW1 9126 2.616 0.996 2.597 + 2518SOL HW2 9127 2.474 1.069 2.565 + 2519SOL OW 9128 2.548 1.161 3.665 + 2519SOL HW1 9129 2.608 1.240 3.679 + 2519SOL HW2 9130 2.462 1.192 3.624 + 2520SOL OW 9131 2.197 1.435 2.923 + 2520SOL HW1 9132 2.119 1.404 2.870 + 2520SOL HW2 9133 2.255 1.493 2.866 + 2521SOL OW 9134 3.322 1.505 3.201 + 2521SOL HW1 9135 3.346 1.599 3.227 + 2521SOL HW2 9136 3.306 1.451 3.283 + 2522SOL OW 9137 2.300 0.392 3.361 + 2522SOL HW1 9138 2.382 0.336 3.370 + 2522SOL HW2 9139 2.219 0.334 3.365 + 2523SOL OW 9140 3.465 0.447 2.599 + 2523SOL HW1 9141 3.391 0.493 2.549 + 2523SOL HW2 9142 3.516 0.515 2.652 + 2524SOL OW 9143 2.093 1.713 2.345 + 2524SOL HW1 9144 2.127 1.790 2.399 + 2524SOL HW2 9145 2.137 1.713 2.255 + 2525SOL OW 9146 2.989 1.341 3.552 + 2525SOL HW1 9147 3.036 1.341 3.640 + 2525SOL HW2 9148 2.941 1.254 3.541 + 2526SOL OW 9149 2.092 1.434 2.400 + 2526SOL HW1 9150 2.066 1.530 2.400 + 2526SOL HW2 9151 2.021 1.380 2.445 + 2527SOL OW 9152 2.102 1.091 2.748 + 2527SOL HW1 9153 2.116 1.007 2.800 + 2527SOL HW2 9154 2.047 1.155 2.803 + 2528SOL OW 9155 2.482 1.786 3.301 + 2528SOL HW1 9156 2.390 1.769 3.336 + 2528SOL HW2 9157 2.510 1.878 3.327 + 2529SOL OW 9158 2.468 0.964 1.985 + 2529SOL HW1 9159 2.475 1.048 1.931 + 2529SOL HW2 9160 2.514 0.977 2.073 + 2530SOL OW 9161 3.456 0.114 3.342 + 2530SOL HW1 9162 3.438 0.181 3.270 + 2530SOL HW2 9163 3.453 0.160 3.431 + 2531SOL OW 9164 1.984 0.643 2.425 + 2531SOL HW1 9165 1.939 0.555 2.442 + 2531SOL HW2 9166 1.983 0.697 2.509 + 2532SOL OW 9167 3.704 1.767 2.221 + 2532SOL HW1 9168 3.758 1.738 2.301 + 2532SOL HW2 9169 3.734 1.857 2.192 + 2533SOL OW 9170 1.889 1.596 1.979 + 2533SOL HW1 9171 1.870 1.500 2.000 + 2533SOL HW2 9172 1.856 1.654 2.054 + 2534SOL OW 9173 3.551 0.922 2.474 + 2534SOL HW1 9174 3.646 0.893 2.482 + 2534SOL HW2 9175 3.543 0.987 2.399 + 2535SOL OW 9176 3.503 1.108 2.294 + 2535SOL HW1 9177 3.589 1.110 2.242 + 2535SOL HW2 9178 3.517 1.155 2.382 + 2536SOL OW 9179 1.975 0.737 3.459 + 2536SOL HW1 9180 2.063 0.724 3.504 + 2536SOL HW2 9181 1.962 0.834 3.437 + 2537SOL OW 9182 2.475 1.365 2.588 + 2537SOL HW1 9183 2.426 1.278 2.597 + 2537SOL HW2 9184 2.452 1.408 2.501 + 2538SOL OW 9185 3.155 1.228 3.285 + 2538SOL HW1 9186 3.192 1.155 3.227 + 2538SOL HW2 9187 3.207 1.233 3.370 + 2539SOL OW 9188 2.671 0.004 2.364 + 2539SOL HW1 9189 2.711 0.095 2.355 + 2539SOL HW2 9190 2.571 0.012 2.370 + 2540SOL OW 9191 2.059 0.976 3.126 + 2540SOL HW1 9192 2.148 0.931 3.112 + 2540SOL HW2 9193 1.986 0.911 3.107 + 2541SOL OW 9194 3.387 0.999 2.052 + 2541SOL HW1 9195 3.324 0.923 2.065 + 2541SOL HW2 9196 3.435 1.017 2.138 + 2542SOL OW 9197 3.049 1.792 3.478 + 2542SOL HW1 9198 3.073 1.852 3.402 + 2542SOL HW2 9199 3.056 1.697 3.448 + 2543SOL OW 9200 2.179 0.251 3.663 + 2543SOL HW1 9201 2.250 0.322 3.669 + 2543SOL HW2 9202 2.091 0.290 3.691 + 2544SOL OW 9203 3.328 1.417 2.815 + 2544SOL HW1 9204 3.269 1.423 2.895 + 2544SOL HW2 9205 3.313 1.329 2.769 + 2545SOL OW 9206 3.529 1.714 2.434 + 2545SOL HW1 9207 3.488 1.691 2.346 + 2545SOL HW2 9208 3.511 1.640 2.499 + 2546SOL OW 9209 2.460 0.729 2.132 + 2546SOL HW1 9210 2.484 0.798 2.064 + 2546SOL HW2 9211 2.382 0.762 2.186 + 2547SOL OW 9212 3.143 0.345 2.806 + 2547SOL HW1 9213 3.057 0.295 2.793 + 2547SOL HW2 9214 3.205 0.291 2.862 + 2548SOL OW 9215 3.438 1.662 2.169 + 2548SOL HW1 9216 3.527 1.708 2.172 + 2548SOL HW2 9217 3.417 1.638 2.074 + 2549SOL OW 9218 2.669 0.605 3.327 + 2549SOL HW1 9219 2.622 0.602 3.416 + 2549SOL HW2 9220 2.618 0.550 3.261 + 2550SOL OW 9221 3.256 0.469 3.536 + 2550SOL HW1 9222 3.236 0.512 3.624 + 2550SOL HW2 9223 3.334 0.407 3.545 + 2551SOL OW 9224 2.835 0.890 3.434 + 2551SOL HW1 9225 2.881 0.806 3.405 + 2551SOL HW2 9226 2.779 0.924 3.359 + 2552SOL OW 9227 2.853 0.410 3.104 + 2552SOL HW1 9228 2.776 0.444 3.158 + 2552SOL HW2 9229 2.819 0.359 3.025 + 2553SOL OW 9230 2.903 0.701 2.291 + 2553SOL HW1 9231 2.929 0.697 2.387 + 2553SOL HW2 9232 2.818 0.650 2.277 + 2554SOL OW 9233 1.938 0.811 2.651 + 2554SOL HW1 9234 2.037 0.799 2.660 + 2554SOL HW2 9235 1.914 0.906 2.672 + 2555SOL OW 9236 1.992 1.821 3.433 + 2555SOL HW1 9237 1.982 1.806 3.532 + 2555SOL HW2 9238 1.906 1.857 3.397 + 2556SOL OW 9239 2.727 0.348 2.057 + 2556SOL HW1 9240 2.786 0.411 2.008 + 2556SOL HW2 9241 2.746 0.254 2.028 + 2557SOL OW 9242 3.581 0.585 3.693 + 2557SOL HW1 9243 3.555 0.674 3.657 + 2557SOL HW2 9244 3.579 0.517 3.620 + 2558SOL OW 9245 3.224 1.144 2.407 + 2558SOL HW1 9246 3.307 1.115 2.359 + 2558SOL HW2 9247 3.175 1.211 2.351 + 2559SOL OW 9248 2.412 0.196 2.747 + 2559SOL HW1 9249 2.407 0.191 2.847 + 2559SOL HW2 9250 2.414 0.292 2.718 + 2560SOL OW 9251 2.870 1.456 2.339 + 2560SOL HW1 9252 2.824 1.528 2.287 + 2560SOL HW2 9253 2.866 1.476 2.437 + 2561SOL OW 9254 2.213 1.801 2.715 + 2561SOL HW1 9255 2.263 1.715 2.721 + 2561SOL HW2 9256 2.278 1.878 2.712 + 2562SOL OW 9257 3.657 1.066 2.735 + 2562SOL HW1 9258 3.595 1.051 2.659 + 2562SOL HW2 9259 3.605 1.077 2.820 + 2563SOL OW 9260 3.089 1.550 3.368 + 2563SOL HW1 9261 3.095 1.473 3.432 + 2563SOL HW2 9262 3.037 1.524 3.288 + 2564SOL OW 9263 2.183 0.943 2.104 + 2564SOL HW1 9264 2.265 0.982 2.062 + 2564SOL HW2 9265 2.156 0.861 2.055 + 2565SOL OW 9266 3.320 0.735 2.590 + 2565SOL HW1 9267 3.315 0.670 2.665 + 2565SOL HW2 9268 3.400 0.794 2.603 + 2566SOL OW 9269 2.323 1.266 3.589 + 2566SOL HW1 9270 2.273 1.267 3.503 + 2566SOL HW2 9271 2.260 1.248 3.665 + 2567SOL OW 9272 2.973 1.776 2.099 + 2567SOL HW1 9273 2.913 1.714 2.149 + 2567SOL HW2 9274 3.004 1.732 2.014 + 2568SOL OW 9275 3.494 1.377 1.943 + 2568SOL HW1 9276 3.462 1.471 1.933 + 2568SOL HW2 9277 3.418 1.314 1.931 + 2569SOL OW 9278 2.326 1.743 2.185 + 2569SOL HW1 9279 2.359 1.782 2.271 + 2569SOL HW2 9280 2.402 1.736 2.120 + 2570SOL OW 9281 3.262 0.107 2.288 + 2570SOL HW1 9282 3.238 0.070 2.198 + 2570SOL HW2 9283 3.361 0.123 2.292 + 2571SOL OW 9284 2.111 1.785 3.103 + 2571SOL HW1 9285 2.168 1.720 3.153 + 2571SOL HW2 9286 2.095 1.752 3.010 + 2572SOL OW 9287 2.802 1.698 2.766 + 2572SOL HW1 9288 2.882 1.641 2.787 + 2572SOL HW2 9289 2.753 1.658 2.689 + 2573SOL OW 9290 2.244 0.700 2.342 + 2573SOL HW1 9291 2.289 0.610 2.339 + 2573SOL HW2 9292 2.150 0.689 2.375 + 2574SOL OW 9293 3.409 0.222 3.591 + 2574SOL HW1 9294 3.404 0.259 3.683 + 2574SOL HW2 9295 3.337 0.153 3.579 + 2575SOL OW 9296 2.476 0.122 1.979 + 2575SOL HW1 9297 2.574 0.100 1.986 + 2575SOL HW2 9298 2.445 0.105 1.886 + 2576SOL OW 9299 2.643 0.264 3.611 + 2576SOL HW1 9300 2.710 0.203 3.654 + 2576SOL HW2 9301 2.570 0.283 3.676 + 2577SOL OW 9302 2.750 1.514 3.057 + 2577SOL HW1 9303 2.727 1.489 2.963 + 2577SOL HW2 9304 2.811 1.445 3.096 + 2578SOL OW 9305 3.213 0.590 3.295 + 2578SOL HW1 9306 3.241 0.547 3.380 + 2578SOL HW2 9307 3.238 0.686 3.296 + 2579SOL OW 9308 2.665 1.402 2.786 + 2579SOL HW1 9309 2.755 1.416 2.744 + 2579SOL HW2 9310 2.594 1.404 2.715 + 2580SOL OW 9311 2.784 0.503 2.761 + 2580SOL HW1 9312 2.759 0.494 2.665 + 2580SOL HW2 9313 2.832 0.421 2.792 + 2581SOL OW 9314 2.401 0.064 2.374 + 2581SOL HW1 9315 2.320 0.065 2.432 + 2581SOL HW2 9316 2.404 0.147 2.319 + 2582SOL OW 9317 3.296 1.188 1.903 + 2582SOL HW1 9318 3.328 1.112 1.960 + 2582SOL HW2 9319 3.204 1.215 1.933 + 2583SOL OW 9320 2.159 0.035 2.033 + 2583SOL HW1 9321 2.208 0.119 2.012 + 2583SOL HW2 9322 2.221 -0.030 2.078 + 2584SOL OW 9323 2.797 0.236 2.342 + 2584SOL HW1 9324 2.749 0.277 2.264 + 2584SOL HW2 9325 2.896 0.234 2.323 + 2585SOL OW 9326 2.938 0.683 3.326 + 2585SOL HW1 9327 2.858 0.622 3.329 + 2585SOL HW2 9328 3.019 0.630 3.302 + 2586SOL OW 9329 3.089 1.570 2.655 + 2586SOL HW1 9330 3.110 1.644 2.590 + 2586SOL HW2 9331 3.157 1.570 2.728 + 2587SOL OW 9332 2.321 1.152 2.603 + 2587SOL HW1 9333 2.250 1.125 2.668 + 2587SOL HW2 9334 2.295 1.124 2.510 + 2588SOL OW 9335 3.133 1.797 2.453 + 2588SOL HW1 9336 3.177 1.861 2.389 + 2588SOL HW2 9337 3.083 1.849 2.523 + 2589SOL OW 9338 2.894 0.549 1.878 + 2589SOL HW1 9339 2.853 0.631 1.839 + 2589SOL HW2 9340 2.958 0.575 1.951 + 2590SOL OW 9341 1.940 0.556 3.248 + 2590SOL HW1 9342 2.032 0.555 3.207 + 2590SOL HW2 9343 1.934 0.630 3.315 + 2591SOL OW 9344 2.423 0.222 3.009 + 2591SOL HW1 9345 2.461 0.138 3.046 + 2591SOL HW2 9346 2.335 0.241 3.053 + 2592SOL OW 9347 2.728 0.454 2.504 + 2592SOL HW1 9348 2.696 0.526 2.442 + 2592SOL HW2 9349 2.752 0.373 2.451 + 2593SOL OW 9350 2.879 0.039 2.615 + 2593SOL HW1 9351 2.807 0.044 2.546 + 2593SOL HW2 9352 2.855 -0.030 2.684 + 2594SOL OW 9353 3.291 1.173 2.729 + 2594SOL HW1 9354 3.236 1.089 2.722 + 2594SOL HW2 9355 3.317 1.202 2.637 + 2595SOL OW 9356 3.328 0.590 2.854 + 2595SOL HW1 9357 3.298 0.495 2.861 + 2595SOL HW2 9358 3.401 0.606 2.920 + 2596SOL OW 9359 3.719 0.833 2.239 + 2596SOL HW1 9360 3.761 0.769 2.303 + 2596SOL HW2 9361 3.681 0.782 2.161 + 2597SOL OW 9362 2.350 1.385 2.036 + 2597SOL HW1 9363 2.263 1.370 2.083 + 2597SOL HW2 9364 2.333 1.411 1.941 + 2598SOL OW 9365 3.526 1.280 2.519 + 2598SOL HW1 9366 3.625 1.288 2.533 + 2598SOL HW2 9367 3.481 1.364 2.550 + 2599SOL OW 9368 3.252 0.575 1.940 + 2599SOL HW1 9369 3.198 0.554 2.021 + 2599SOL HW2 9370 3.343 0.534 1.949 + 2600SOL OW 9371 2.389 0.256 2.190 + 2600SOL HW1 9372 2.416 0.197 2.115 + 2600SOL HW2 9373 2.389 0.351 2.159 + 2601SOL OW 9374 3.616 1.223 3.450 + 2601SOL HW1 9375 3.707 1.184 3.437 + 2601SOL HW2 9376 3.624 1.319 3.474 + 2602SOL OW 9377 2.926 1.347 3.202 + 2602SOL HW1 9378 2.846 1.324 3.257 + 2602SOL HW2 9379 3.009 1.321 3.251 + 2603SOL OW 9380 3.454 1.629 3.487 + 2603SOL HW1 9381 3.481 1.663 3.397 + 2603SOL HW2 9382 3.533 1.591 3.533 + 2604SOL OW 9383 2.973 1.195 2.962 + 2604SOL HW1 9384 2.933 1.239 3.043 + 2604SOL HW2 9385 2.932 1.232 2.879 + 2605SOL OW 9386 3.500 1.099 2.941 + 2605SOL HW1 9387 3.505 1.180 3.000 + 2605SOL HW2 9388 3.414 1.101 2.890 + 2606SOL OW 9389 2.777 0.089 3.264 + 2606SOL HW1 9390 2.802 0.069 3.169 + 2606SOL HW2 9391 2.849 0.145 3.306 + 2607SOL OW 9392 2.842 1.116 3.581 + 2607SOL HW1 9393 2.743 1.122 3.591 + 2607SOL HW2 9394 2.865 1.036 3.525 + 2608SOL OW 9395 2.567 1.050 2.230 + 2608SOL HW1 9396 2.553 1.057 2.329 + 2608SOL HW2 9397 2.651 0.999 2.212 + 2609SOL OW 9398 2.272 0.813 3.113 + 2609SOL HW1 9399 2.358 0.825 3.163 + 2609SOL HW2 9400 2.230 0.726 3.140 + 2610SOL OW 9401 3.136 0.386 3.124 + 2610SOL HW1 9402 3.157 0.460 3.188 + 2610SOL HW2 9403 3.047 0.403 3.081 + 2611SOL OW 9404 1.926 1.564 3.193 + 2611SOL HW1 9405 1.880 1.646 3.159 + 2611SOL HW2 9406 2.024 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9488 2.201 0.509 2.868 + 2639SOL HW1 9489 2.149 0.426 2.851 + 2639SOL HW2 9490 2.278 0.514 2.804 + 2640SOL OW 9491 3.000 0.380 3.540 + 2640SOL HW1 9492 2.955 0.443 3.604 + 2640SOL HW2 9493 3.093 0.411 3.523 + 2641SOL OW 9494 3.022 0.207 3.339 + 2641SOL HW1 9495 3.022 0.271 3.416 + 2641SOL HW2 9496 3.050 0.255 3.256 + 2642SOL OW 9497 1.870 1.326 2.062 + 2642SOL HW1 9498 1.777 1.347 2.031 + 2642SOL HW2 9499 1.880 1.227 2.075 + 2643SOL OW 9500 1.950 1.801 2.789 + 2643SOL HW1 9501 1.908 1.715 2.762 + 2643SOL HW2 9502 2.044 1.804 2.755 + 2644SOL OW 9503 2.366 1.568 2.772 + 2644SOL HW1 9504 2.432 1.642 2.781 + 2644SOL HW2 9505 2.410 1.489 2.730 + 2645SOL OW 9506 2.864 0.796 3.100 + 2645SOL HW1 9507 2.905 0.764 3.186 + 2645SOL HW2 9508 2.768 0.769 3.097 + 2646SOL OW 9509 1.902 0.544 2.976 + 2646SOL HW1 9510 1.987 0.511 2.935 + 2646SOL HW2 9511 1.915 0.559 3.074 + 2647SOL OW 9512 2.051 0.520 3.584 + 2647SOL HW1 9513 2.110 0.480 3.514 + 2647SOL HW2 9514 1.993 0.591 3.543 + 2648SOL OW 9515 3.231 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2666SOL HW1 9570 2.687 1.306 3.379 + 2666SOL HW2 9571 2.606 1.292 3.238 + 2667SOL OW 9572 2.534 1.616 2.016 + 2667SOL HW1 9573 2.543 1.626 1.917 + 2667SOL HW2 9574 2.494 1.527 2.037 + 2668SOL OW 9575 3.512 1.720 3.256 + 2668SOL HW1 9576 3.565 1.730 3.172 + 2668SOL HW2 9577 3.485 1.810 3.290 + 2669SOL OW 9578 3.703 0.175 2.825 + 2669SOL HW1 9579 3.742 0.090 2.789 + 2669SOL HW2 9580 3.605 0.177 2.806 + 2670SOL OW 9581 2.125 0.326 2.582 + 2670SOL HW1 9582 2.046 0.377 2.548 + 2670SOL HW2 9583 2.116 0.311 2.680 + 2671SOL OW 9584 3.056 1.612 1.893 + 2671SOL HW1 9585 3.062 1.519 1.930 + 2671SOL HW2 9586 2.997 1.612 1.813 + 2672SOL OW 9587 2.684 1.002 3.234 + 2672SOL HW1 9588 2.724 1.001 3.142 + 2672SOL HW2 9589 2.694 1.094 3.274 + 2673SOL OW 9590 2.778 0.910 2.153 + 2673SOL HW1 9591 2.841 0.948 2.085 + 2673SOL HW2 9592 2.818 0.827 2.192 + 2674SOL OW 9593 3.366 1.607 1.906 + 2674SOL HW1 9594 3.274 1.644 1.913 + 2674SOL HW2 9595 3.404 1.627 1.816 + 2675SOL OW 9596 2.234 1.288 3.352 + 2675SOL HW1 9597 2.221 1.381 3.318 + 2675SOL HW2 9598 2.150 1.236 3.339 + 2676SOL OW 9599 3.476 1.292 3.151 + 2676SOL HW1 9600 3.536 1.295 3.231 + 2676SOL HW2 9601 3.401 1.356 3.164 + 2677SOL OW 9602 2.901 1.098 2.558 + 2677SOL HW1 9603 2.831 1.051 2.612 + 2677SOL HW2 9604 2.960 1.030 2.515 + 2678SOL OW 9605 2.876 0.236 2.833 + 2678SOL HW1 9606 2.868 0.200 2.740 + 2678SOL HW2 9607 2.874 0.160 2.898 + 2679SOL OW 9608 2.452 1.487 2.353 + 2679SOL HW1 9609 2.494 1.429 2.283 + 2679SOL HW2 9610 2.408 1.566 2.309 + 2680SOL OW 9611 3.571 0.385 3.243 + 2680SOL HW1 9612 3.644 0.454 3.247 + 2680SOL HW2 9613 3.599 0.310 3.184 + 2681SOL OW 9614 2.117 1.348 2.152 + 2681SOL HW1 9615 2.021 1.349 2.125 + 2681SOL HW2 9616 2.129 1.401 2.236 + 2682SOL OW 9617 1.967 1.013 3.588 + 2682SOL HW1 9618 1.890 0.980 3.642 + 2682SOL HW2 9619 2.052 0.983 3.630 + 2683SOL OW 9620 2.534 0.203 3.351 + 2683SOL HW1 9621 2.624 0.187 3.311 + 2683SOL HW2 9622 2.542 0.208 3.450 + 2684SOL OW 9623 1.937 0.345 1.895 + 2684SOL HW1 9624 1.845 0.317 1.866 + 2684SOL HW2 9625 1.968 0.422 1.839 + 2685SOL OW 9626 3.302 0.856 3.260 + 2685SOL HW1 9627 3.245 0.908 3.197 + 2685SOL HW2 9628 3.398 0.868 3.236 + 2686SOL OW 9629 1.934 0.166 2.180 + 2686SOL HW1 9630 1.917 0.249 2.126 + 2686SOL HW2 9631 2.024 0.129 2.158 + 2687SOL OW 9632 3.045 1.335 1.981 + 2687SOL HW1 9633 2.946 1.324 1.983 + 2687SOL HW2 9634 3.079 1.350 2.074 + 2688SOL OW 9635 2.475 0.842 3.293 + 2688SOL HW1 9636 2.531 0.923 3.276 + 2688SOL HW2 9637 2.534 0.762 3.296 + 2689SOL OW 9638 3.355 1.767 2.821 + 2689SOL HW1 9639 3.388 1.831 2.752 + 2689SOL HW2 9640 3.421 1.761 2.896 + 2690SOL OW 9641 2.578 0.565 3.570 + 2690SOL HW1 9642 2.597 0.630 3.644 + 2690SOL HW2 9643 2.638 0.485 3.579 + 2691SOL OW 9644 3.312 1.220 3.495 + 2691SOL HW1 9645 3.303 1.210 3.594 + 2691SOL HW2 9646 3.408 1.213 3.469 + 2692SOL OW 9647 2.252 1.741 3.422 + 2692SOL HW1 9648 2.161 1.782 3.420 + 2692SOL HW2 9649 2.245 1.647 3.454 + 2693SOL OW 9650 3.536 0.883 3.116 + 2693SOL HW1 9651 3.509 0.794 3.079 + 2693SOL HW2 9652 3.537 0.951 3.043 + 2694SOL OW 9653 3.087 0.325 2.311 + 2694SOL HW1 9654 3.152 0.251 2.300 + 2694SOL HW2 9655 3.107 0.375 2.395 + 2695SOL OW 9656 2.456 0.745 2.514 + 2695SOL HW1 9657 2.506 0.830 2.495 + 2695SOL HW2 9658 2.368 0.747 2.466 + 2696SOL OW 9659 3.639 0.342 3.504 + 2696SOL HW1 9660 3.622 0.373 3.410 + 2696SOL HW2 9661 3.555 0.305 3.542 + 2697SOL OW 9662 3.592 0.934 3.379 + 2697SOL HW1 9663 3.630 1.025 3.394 + 2697SOL HW2 9664 3.584 0.917 3.280 + 2698SOL OW 9665 2.721 1.374 1.878 + 2698SOL HW1 9666 2.675 1.389 1.966 + 2698SOL HW2 9667 2.765 1.459 1.848 + 2699SOL OW 9668 2.523 1.790 2.815 + 2699SOL HW1 9669 2.477 1.878 2.802 + 2699SOL HW2 9670 2.622 1.802 2.808 + 2700SOL OW 9671 2.721 0.956 2.723 + 2700SOL HW1 9672 2.775 0.887 2.771 + 2700SOL HW2 9673 2.689 1.025 2.789 + 2701SOL OW 9674 2.945 0.984 1.949 + 2701SOL HW1 9675 2.922 1.037 1.867 + 2701SOL HW2 9676 3.026 0.928 1.930 + 2702SOL OW 9677 3.723 1.569 2.713 + 2702SOL HW1 9678 3.652 1.557 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2711SOL HW2 9706 3.237 0.277 3.035 + 2712SOL OW 9707 2.863 0.034 3.016 + 2712SOL HW1 9708 2.800 -0.038 2.985 + 2712SOL HW2 9709 2.956 -0.002 3.016 + 2713SOL OW 9710 2.632 1.330 2.163 + 2713SOL HW1 9711 2.586 1.243 2.180 + 2713SOL HW2 9712 2.723 1.327 2.204 + 2714SOL OW 9713 2.480 1.567 3.146 + 2714SOL HW1 9714 2.475 1.649 3.203 + 2714SOL HW2 9715 2.569 1.564 3.101 + 2715SOL OW 9716 3.214 0.052 2.030 + 2715SOL HW1 9717 3.249 0.011 1.946 + 2715SOL HW2 9718 3.124 0.014 2.050 + 2716SOL OW 9719 3.162 0.453 2.553 + 2716SOL HW1 9720 3.103 0.533 2.557 + 2716SOL HW2 9721 3.177 0.418 2.646 + 2717SOL OW 9722 3.455 0.221 2.744 + 2717SOL HW1 9723 3.371 0.220 2.798 + 2717SOL HW2 9724 3.457 0.304 2.688 + 2718SOL OW 9725 1.901 1.077 2.162 + 2718SOL HW1 9726 2.000 1.066 2.153 + 2718SOL HW2 9727 1.861 0.991 2.194 + 2719SOL OW 9728 2.737 1.646 2.199 + 2719SOL HW1 9729 2.660 1.611 2.145 + 2719SOL HW2 9730 2.705 1.717 2.261 + 2720SOL OW 9731 2.092 0.628 3.837 + 2720SOL HW1 9732 1.999 0.626 3.874 + 2720SOL 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6646SOL HW221511 5.943 5.920 3.365 + 6647SOL OW21512 6.395 5.590 2.364 + 6647SOL HW121513 6.435 5.681 2.355 + 6647SOL HW221514 6.295 5.598 2.370 + 6648SOL OW21515 5.903 5.837 3.663 + 6648SOL HW121516 5.974 5.908 3.669 + 6648SOL HW221517 5.815 5.876 3.691 + 6649SOL OW21518 6.577 5.996 3.104 + 6649SOL HW121519 6.500 6.030 3.158 + 6649SOL HW221520 6.543 5.945 3.025 + 6650SOL OW21521 6.451 5.934 2.057 + 6650SOL HW121522 6.510 5.997 2.008 + 6650SOL HW221523 6.470 5.840 2.028 + 6651SOL OW21524 6.136 5.782 2.747 + 6651SOL HW121525 6.131 5.777 2.847 + 6651SOL HW221526 6.138 5.878 2.718 + 6652SOL OW21527 5.788 5.871 3.360 + 6652SOL HW121528 5.708 5.931 3.347 + 6652SOL HW221529 5.778 5.822 3.446 + 6653SOL OW21530 6.200 5.708 1.979 + 6653SOL HW121531 6.298 5.686 1.986 + 6653SOL HW221532 6.169 5.691 1.886 + 6654SOL OW21533 6.367 5.850 3.611 + 6654SOL HW121534 6.434 5.789 3.654 + 6654SOL HW221535 6.294 5.869 3.676 + 6655SOL OW21536 6.508 6.089 2.761 + 6655SOL HW121537 6.483 6.080 2.665 + 6655SOL HW221538 6.556 6.007 2.792 + 6656SOL OW21539 6.125 5.650 2.374 + 6656SOL HW121540 6.044 5.651 2.432 + 6656SOL HW221541 6.128 5.733 2.319 + 6657SOL OW21542 5.883 5.621 2.033 + 6657SOL HW121543 5.932 5.705 2.012 + 6657SOL HW221544 5.945 5.556 2.078 + 6658SOL OW21545 6.147 5.808 3.009 + 6658SOL HW121546 6.185 5.724 3.046 + 6658SOL HW221547 6.059 5.827 3.053 + 6659SOL OW21548 6.603 5.625 2.615 + 6659SOL HW121549 6.531 5.630 2.546 + 6659SOL HW221550 6.579 5.556 2.684 + 6660SOL OW21551 6.113 5.842 2.190 + 6660SOL HW121552 6.140 5.783 2.115 + 6660SOL HW221553 6.113 5.937 2.159 + 6661SOL OW21554 6.501 5.675 3.264 + 6661SOL HW121555 6.526 5.655 3.169 + 6661SOL HW221556 6.573 5.731 3.306 + 6662SOL OW21557 6.599 5.691 3.632 + 6662SOL HW121558 6.605 5.776 3.580 + 6662SOL HW221559 6.631 5.615 3.575 + 6663SOL OW21560 6.090 5.636 3.602 + 6663SOL HW121561 6.048 5.579 3.532 + 6663SOL HW221562 6.024 5.705 3.634 + 6664SOL OW21563 6.795 6.111 2.137 + 6664SOL HW121564 6.808 6.027 2.191 + 6664SOL HW221565 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5.794 3.450 + 6674SOL OW21593 5.661 5.931 1.895 + 6674SOL HW121594 5.569 5.903 1.866 + 6674SOL HW221595 5.692 6.008 1.839 + 6675SOL OW21596 5.658 5.752 2.180 + 6675SOL HW121597 5.641 5.835 2.126 + 6675SOL HW221598 5.748 5.715 2.158 + 6676SOL OW21599 6.811 5.911 2.311 + 6676SOL HW121600 6.876 5.837 2.300 + 6676SOL HW221601 6.831 5.961 2.395 + 6677SOL OW21602 6.014 6.010 2.382 + 6677SOL HW121603 6.044 5.938 2.320 + 6677SOL HW221604 5.975 5.970 2.465 + 6678SOL OW21605 5.903 6.133 3.142 + 6678SOL HW121606 5.941 6.074 3.214 + 6678SOL HW221607 5.943 6.107 3.054 + 6679SOL OW21608 6.587 5.620 3.016 + 6679SOL HW121609 6.524 5.548 2.985 + 6679SOL HW221610 6.680 5.584 3.016 + 6680SOL OW21611 5.816 6.214 3.837 + 6680SOL HW121612 5.723 6.212 3.874 + 6680SOL HW221613 5.817 6.175 3.745 + 6681SOL OW21614 5.811 5.861 4.720 + 6681SOL HW121615 5.846 5.844 4.812 + 6681SOL HW221616 5.723 5.816 4.708 + 6682SOL OW21617 5.605 5.954 4.371 + 6682SOL HW121618 5.523 5.997 4.410 + 6682SOL HW221619 5.577 5.881 4.308 + 6683SOL OW21620 6.024 5.978 5.223 + 6683SOL HW121621 6.106 5.922 5.232 + 6683SOL HW221622 5.943 5.920 5.227 + 6684SOL OW21623 6.395 5.590 4.226 + 6684SOL HW121624 6.435 5.681 4.217 + 6684SOL HW221625 6.295 5.598 4.232 + 6685SOL OW21626 6.393 6.191 5.189 + 6685SOL HW121627 6.346 6.188 5.278 + 6685SOL HW221628 6.342 6.136 5.123 + 6686SOL OW21629 6.577 5.996 4.966 + 6686SOL HW121630 6.500 6.030 5.020 + 6686SOL HW221631 6.543 5.945 4.887 + 6687SOL OW21632 6.451 5.934 3.919 + 6687SOL HW121633 6.510 5.997 3.870 + 6687SOL HW221634 6.470 5.840 3.890 + 6688SOL OW21635 6.136 5.782 4.609 + 6688SOL HW121636 6.131 5.777 4.709 + 6688SOL HW221637 6.138 5.878 4.580 + 6689SOL OW21638 6.200 5.708 3.841 + 6689SOL HW121639 6.298 5.686 3.848 + 6689SOL HW221640 6.169 5.691 3.748 + 6690SOL OW21641 6.367 5.850 5.473 + 6690SOL HW121642 6.434 5.789 5.516 + 6690SOL HW221643 6.294 5.869 5.538 + 6691SOL OW21644 6.508 6.089 4.623 + 6691SOL HW121645 6.483 6.080 4.527 + 6691SOL HW221646 6.556 6.007 4.654 + 6692SOL OW21647 6.125 5.650 4.236 + 6692SOL HW121648 6.044 5.651 4.294 + 6692SOL HW221649 6.128 5.733 4.181 + 6693SOL OW21650 5.883 5.621 3.895 + 6693SOL HW121651 5.932 5.705 3.874 + 6693SOL HW221652 5.945 5.556 3.940 + 6694SOL OW21653 6.147 5.808 4.871 + 6694SOL HW121654 6.185 5.724 4.908 + 6694SOL HW221655 6.059 5.827 4.915 + 6695SOL OW21656 6.603 5.625 4.477 + 6695SOL HW121657 6.531 5.630 4.408 + 6695SOL HW221658 6.579 5.556 4.546 + 6696SOL OW21659 6.113 5.842 4.052 + 6696SOL HW121660 6.140 5.783 3.977 + 6696SOL HW221661 6.113 5.937 4.021 + 6697SOL OW21662 6.501 5.675 5.126 + 6697SOL HW121663 6.526 5.655 5.031 + 6697SOL HW221664 6.573 5.731 5.168 + 6698SOL OW21665 6.795 6.111 3.999 + 6698SOL HW121666 6.808 6.027 4.053 + 6698SOL HW221667 6.766 6.185 4.059 + 6699SOL OW21668 5.893 5.799 4.955 + 6699SOL HW121669 5.870 5.836 5.045 + 6699SOL HW221670 5.863 5.704 4.949 + 6700SOL OW21671 6.318 6.220 4.788 + 6700SOL HW121672 6.377 6.194 4.712 + 6700SOL HW221673 6.290 6.316 4.777 + 6701SOL OW21674 5.893 5.649 4.342 + 6701SOL HW121675 5.882 5.743 4.375 + 6701SOL HW221676 5.888 5.586 4.419 + 6702SOL OW21677 5.925 6.095 4.730 + 6702SOL HW121678 5.873 6.012 4.713 + 6702SOL HW221679 6.002 6.100 4.666 + 6703SOL OW21680 5.626 6.130 4.838 + 6703SOL HW121681 5.711 6.097 4.797 + 6703SOL HW221682 5.639 6.145 4.936 + 6704SOL OW21683 6.257 6.050 4.993 + 6704SOL HW121684 6.223 5.961 4.963 + 6704SOL HW221685 6.283 6.104 4.913 + 6705SOL OW21686 5.849 5.912 4.444 + 6705SOL HW121687 5.770 5.963 4.410 + 6705SOL HW221688 5.840 5.897 4.542 + 6706SOL OW21689 6.258 5.789 5.213 + 6706SOL HW121690 6.348 5.773 5.173 + 6706SOL HW221691 6.266 5.794 5.312 + 6707SOL OW21692 5.661 5.931 3.757 + 6707SOL HW121693 5.569 5.903 3.728 + 6707SOL HW221694 5.692 6.008 3.701 + 6708SOL OW21695 5.658 5.752 4.042 + 6708SOL HW121696 5.641 5.835 3.988 + 6708SOL HW221697 5.748 5.715 4.020 + 6709SOL OW21698 6.811 5.911 4.173 + 6709SOL HW121699 6.876 5.837 4.162 + 6709SOL HW221700 6.831 5.961 4.257 + 6710SOL OW21701 6.014 6.010 4.244 + 6710SOL HW121702 6.044 5.938 4.182 + 6710SOL HW221703 5.975 5.970 4.327 + 6711SOL OW21704 5.903 6.133 5.004 + 6711SOL HW121705 5.941 6.074 5.076 + 6711SOL HW221706 5.943 6.107 4.916 + 6712SOL OW21707 6.587 5.620 4.878 + 6712SOL HW121708 6.524 5.548 4.847 + 6712SOL HW221709 6.680 5.584 4.878 + 6713NA NA21710 0.078 4.280 3.248 + 6714NA NA21711 2.412 3.920 0.885 + 6715NA NA21712 4.045 0.943 3.966 + 6716NA NA21713 4.228 5.636 5.464 + 6717NA NA21714 6.603 1.901 4.477 + 6718NA NA21715 5.783 4.700 1.264 + 6719NA NA21716 6.014 6.010 0.520 + 6720CL CL21717 0.732 2.496 1.064 + 6721CL CL21718 0.339 2.371 2.868 + 6722CL CL21719 1.540 3.998 0.125 + 6723CL CL21720 1.187 5.516 3.478 + 6724CL CL21721 0.076 4.535 4.513 + 6725CL CL21722 2.064 0.285 3.360 + 6726CL CL21723 3.621 3.609 4.878 + 6727CL CL21724 1.992 3.656 5.575 + 6728CL CL21725 2.181 4.534 4.673 + 6729CL CL21726 5.479 2.469 0.231 + 6730CL CL21727 5.413 2.784 2.474 + 6731CL CL21728 5.443 2.447 3.693 + 6732CL CL21729 5.548 2.054 4.951 + 6733CL CL21730 4.664 5.422 0.904 + 6734CL CL21731 6.199 0.842 5.155 + 6.61010 6.23211 5.39733 0.00000 0.00000 2.20323 0.00000 -2.20323 3.11577 diff --git a/biobb_wf_md_setup/tests/python/reference/step8_genion/genion_top.zip b/biobb_wf_md_setup/tests/python/reference/step8_genion/genion_top.zip new file mode 100644 index 0000000..8b3cba6 Binary files /dev/null and b/biobb_wf_md_setup/tests/python/reference/step8_genion/genion_top.zip differ diff --git a/biobb_wf_md_setup/tests/python/reference/step9_grompp_min/gppmin.tpr b/biobb_wf_md_setup/tests/python/reference/step9_grompp_min/gppmin.tpr new file mode 100644 index 0000000..5950cde Binary files /dev/null and b/biobb_wf_md_setup/tests/python/reference/step9_grompp_min/gppmin.tpr differ diff --git a/biobb_wf_md_setup/tests/python/structure.pdb b/biobb_wf_md_setup/tests/python/structure.pdb new file mode 100644 index 0000000..5228267 --- /dev/null +++ b/biobb_wf_md_setup/tests/python/structure.pdb @@ -0,0 +1,1436 @@ +HEADER HYDROLASE 19-MAY-97 1AKI +TITLE THE STRUCTURE OF THE ORTHORHOMBIC FORM OF HEN EGG-WHITE +TITLE 2 LYSOZYME AT 1.5 ANGSTROMS RESOLUTION +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: LYSOZYME; +COMPND 3 CHAIN: A; +COMPND 4 EC: 3.2.1.17 +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; +SOURCE 3 ORGANISM_COMMON: CHICKEN; +SOURCE 4 ORGANISM_TAXID: 9031; +SOURCE 5 CELL: EGG +KEYWDS HYDROLASE, GLYCOSIDASE +EXPDTA X-RAY DIFFRACTION +AUTHOR D.CARTER,J.HE,J.R.RUBLE,B.WRIGHT +REVDAT 2 24-FEB-09 1AKI 1 VERSN +REVDAT 1 19-NOV-97 1AKI 0 +JRNL AUTH P.J.ARTYMIUK,C.C.F.BLAKE,D.W.RICE,K.S.WILSON +JRNL TITL THE STRUCTURES OF THE MONOCLINIC AND ORTHORHOMBIC +JRNL TITL 2 FORMS OF HEN EGG-WHITE LYSOZYME AT 6 ANGSTROMS +JRNL TITL 3 RESOLUTION +JRNL REF ACTA CRYSTALLOGR.,SECT.B V. 38 778 1982 +JRNL REFN ISSN 0108-7681 +REMARK 1 +REMARK 2 +REMARK 2 RESOLUTION. 1.50 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : GPRLSA, X-PLOR +REMARK 3 AUTHORS : FUREY +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.50 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000 +REMARK 3 COMPLETENESS FOR RANGE (%) : 91.1 +REMARK 3 NUMBER OF REFLECTIONS : 16327 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : NULL +REMARK 3 FREE R VALUE TEST SET SELECTION : NULL +REMARK 3 R VALUE (WORKING + TEST SET) : NULL +REMARK 3 R VALUE (WORKING SET) : 0.212 +REMARK 3 FREE R VALUE : NULL +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : NULL +REMARK 3 +REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. +REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL +REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL +REMARK 3 FREE R VALUE (NO CUTOFF) : NULL +REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL +REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 1001 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 0 +REMARK 3 SOLVENT ATOMS : 78 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM SIGMAA (A) : NULL +REMARK 3 LOW RESOLUTION CUTOFF (A) : 10.00 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA +REMARK 3 BOND LENGTH (A) : 0.009 ; 0.010 +REMARK 3 ANGLE DISTANCE (A) : 0.003 ; 0.025 +REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.024 ; 0.020 +REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL +REMARK 3 +REMARK 3 PLANE RESTRAINT (A) : 0.033 ; 0.030 +REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.212 ; 0.200 +REMARK 3 +REMARK 3 NON-BONDED CONTACT RESTRAINTS. +REMARK 3 SINGLE TORSION (A) : 0.183 ; 0.300 +REMARK 3 MULTIPLE TORSION (A) : 0.159 ; 0.300 +REMARK 3 H-BOND (X...Y) (A) : 0.299 ; 0.300 +REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL +REMARK 3 +REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. +REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL +REMARK 3 PLANAR (DEGREES) : 7.900 ; 5.000 +REMARK 3 STAGGERED (DEGREES) : 17.800; 15.000 +REMARK 3 TRANSVERSE (DEGREES) : 18.900; 15.000 +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : 2.500 ; 3.000 +REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.900 ; 4.000 +REMARK 3 SIDE-CHAIN BOND (A**2) : 3.200 ; 4.000 +REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.600 ; 3.000 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1AKI COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : NOV-95 +REMARK 200 TEMPERATURE (KELVIN) : 298 +REMARK 200 PH : 4.48 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : N +REMARK 200 RADIATION SOURCE : ROTATING ANODE +REMARK 200 BEAMLINE : NULL +REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RUH2R +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 +REMARK 200 MONOCHROMATOR : GRAPHITE(002) +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : IMAGE PLATE +REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IIC +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : RIGAKU +REMARK 200 DATA SCALING SOFTWARE : BIOTEX +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 20571 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.500 +REMARK 200 RESOLUTION RANGE LOW (A) : 15.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 91.1 +REMARK 200 DATA REDUNDANCY : 3.100 +REMARK 200 R MERGE (I) : 0.04400 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 11.7000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL +REMARK 200 COMPLETENESS FOR SHELL (%) : NULL +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: NULL +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: X-PLOR +REMARK 200 STARTING MODEL: PDB ENTRY 2LZH +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 42.84 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.15 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: PH 4.48 +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X+1/2,-Y,Z+1/2 +REMARK 290 3555 -X,Y+1/2,-Z+1/2 +REMARK 290 4555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 29.53100 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 15.25850 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 34.22550 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 15.25850 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 29.53100 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 34.22550 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 NH2 ARG A 45 NH2 ARG A 68 2.16 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC +REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 +REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A +REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 +REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE +REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. +REMARK 500 +REMARK 500 DISTANCE CUTOFF: +REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS +REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE +REMARK 500 OD1 ASN A 19 ND2 ASN A 39 1556 2.09 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 ARG A 14 NE - CZ - NH1 ANGL. DEV. = -4.2 DEGREES +REMARK 500 ASP A 18 CB - CG - OD1 ANGL. DEV. = 6.1 DEGREES +REMARK 500 ARG A 21 CD - NE - CZ ANGL. DEV. = 13.6 DEGREES +REMARK 500 ARG A 21 NE - CZ - NH2 ANGL. DEV. = 5.1 DEGREES +REMARK 500 ARG A 45 NE - CZ - NH1 ANGL. DEV. = 4.6 DEGREES +REMARK 500 ARG A 45 NE - CZ - NH2 ANGL. DEV. = -5.7 DEGREES +REMARK 500 ASP A 66 CB - CG - OD1 ANGL. DEV. = 6.6 DEGREES +REMARK 500 ASP A 66 CB - CG - OD2 ANGL. DEV. = -7.2 DEGREES +REMARK 500 ARG A 68 NE - CZ - NH1 ANGL. DEV. = 8.8 DEGREES +REMARK 500 ARG A 68 NE - CZ - NH2 ANGL. DEV. = -6.5 DEGREES +REMARK 500 ARG A 73 NE - CZ - NH2 ANGL. DEV. = -4.4 DEGREES +REMARK 500 ASP A 87 CB - CG - OD1 ANGL. DEV. = 8.6 DEGREES +REMARK 500 ARG A 112 NE - CZ - NH1 ANGL. DEV. = 4.4 DEGREES +REMARK 500 ARG A 125 NE - CZ - NH2 ANGL. DEV. = -5.0 DEGREES +REMARK 500 ARG A 128 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: PLANAR GROUPS +REMARK 500 +REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL +REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE +REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN +REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS +REMARK 500 AN RMSD GREATER THAN THIS VALUE +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 M RES CSSEQI RMS TYPE +REMARK 500 ARG A 14 0.12 SIDE_CHAIN +REMARK 500 ARG A 21 0.21 SIDE_CHAIN +REMARK 500 ARG A 68 0.15 SIDE_CHAIN +REMARK 500 ARG A 73 0.25 SIDE_CHAIN +REMARK 500 ARG A 112 0.15 SIDE_CHAIN +REMARK 500 ARG A 114 0.13 SIDE_CHAIN +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY +REMARK 500 +REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY +REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER +REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; +REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 500 I=INSERTION CODE). +REMARK 500 +REMARK 500 M RES CSSEQI ANGLE +REMARK 500 ARG A 128 10.17 +REMARK 500 +REMARK 500 REMARK: NULL +DBREF 1AKI A 1 129 UNP P00698 LYSC_CHICK 19 147 +SEQRES 1 A 129 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS +SEQRES 2 A 129 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY +SEQRES 3 A 129 ASN TRP VAL CYS ALA ALA LYS PHE GLU SER ASN PHE ASN +SEQRES 4 A 129 THR GLN ALA THR ASN ARG ASN THR ASP GLY SER THR ASP +SEQRES 5 A 129 TYR GLY ILE LEU GLN ILE ASN SER ARG TRP TRP CYS ASN +SEQRES 6 A 129 ASP GLY ARG THR PRO GLY SER ARG ASN LEU CYS ASN ILE +SEQRES 7 A 129 PRO CYS SER ALA LEU LEU SER SER ASP ILE THR ALA SER +SEQRES 8 A 129 VAL ASN CYS ALA LYS LYS ILE VAL SER ASP GLY ASN GLY +SEQRES 9 A 129 MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS LYS GLY +SEQRES 10 A 129 THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG LEU +FORMUL 2 HOH *78(H2 O) +HELIX 1 1 ARG A 5 ARG A 14 1 10 +HELIX 2 2 TYR A 20 GLY A 22 5 3 +HELIX 3 3 LEU A 25 SER A 36 1 12 +HELIX 4 4 CYS A 80 LEU A 84 5 5 +HELIX 5 5 THR A 89 ASP A 101 1 13 +HELIX 6 6 GLY A 104 ALA A 107 5 4 +HELIX 7 7 VAL A 109 ARG A 114 1 6 +HELIX 8 8 VAL A 120 TRP A 123 5 4 +SHEET 1 A 2 THR A 43 ARG A 45 0 +SHEET 2 A 2 THR A 51 TYR A 53 -1 N ASP A 52 O ASN A 44 +SSBOND 1 CYS A 6 CYS A 127 1555 1555 1.97 +SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.00 +SSBOND 3 CYS A 64 CYS A 80 1555 1555 1.99 +SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.02 +CRYST1 59.062 68.451 30.517 90.00 90.00 90.00 P 21 21 21 4 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.016931 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.014609 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.032769 0.00000 +ATOM 1 N LYS A 1 35.365 22.342 -11.980 1.00 22.28 N +ATOM 2 CA LYS A 1 35.892 21.073 -11.427 1.00 21.12 C +ATOM 3 C LYS A 1 34.741 20.264 -10.844 1.00 16.85 C +ATOM 4 O LYS A 1 33.945 20.813 -10.081 1.00 18.94 O +ATOM 5 CB LYS A 1 36.872 21.435 -10.306 1.00 20.78 C +ATOM 6 CG LYS A 1 37.453 20.248 -9.565 1.00 18.47 C +ATOM 7 CD LYS A 1 38.688 20.649 -8.775 1.00 20.32 C +ATOM 8 CE LYS A 1 39.057 19.508 -7.837 1.00 24.76 C +ATOM 9 NZ LYS A 1 40.423 19.771 -7.299 1.00 28.27 N +ATOM 10 N VAL A 2 34.739 18.961 -11.042 1.00 19.96 N +ATOM 11 CA VAL A 2 33.903 17.998 -10.333 1.00 18.10 C +ATOM 12 C VAL A 2 34.800 17.312 -9.294 1.00 19.39 C +ATOM 13 O VAL A 2 35.759 16.605 -9.665 1.00 22.14 O +ATOM 14 CB VAL A 2 33.140 17.034 -11.232 1.00 16.81 C +ATOM 15 CG1 VAL A 2 32.251 16.084 -10.434 1.00 21.92 C +ATOM 16 CG2 VAL A 2 32.294 17.714 -12.290 1.00 19.46 C +ATOM 17 N PHE A 3 34.491 17.546 -8.038 1.00 19.89 N +ATOM 18 CA PHE A 3 35.185 16.903 -6.918 1.00 17.43 C +ATOM 19 C PHE A 3 34.742 15.441 -6.771 1.00 15.70 C +ATOM 20 O PHE A 3 33.525 15.162 -6.862 1.00 18.52 O +ATOM 21 CB PHE A 3 34.967 17.632 -5.594 1.00 17.94 C +ATOM 22 CG PHE A 3 35.944 18.737 -5.375 1.00 16.78 C +ATOM 23 CD1 PHE A 3 35.666 20.050 -5.798 1.00 15.97 C +ATOM 24 CD2 PHE A 3 37.000 18.557 -4.473 1.00 19.95 C +ATOM 25 CE1 PHE A 3 36.577 21.076 -5.568 1.00 17.32 C +ATOM 26 CE2 PHE A 3 37.869 19.589 -4.157 1.00 17.65 C +ATOM 27 CZ PHE A 3 37.636 20.873 -4.666 1.00 17.91 C +ATOM 28 N GLY A 4 35.724 14.639 -6.331 1.00 16.79 N +ATOM 29 CA GLY A 4 35.366 13.280 -5.870 1.00 16.34 C +ATOM 30 C GLY A 4 34.924 13.420 -4.415 1.00 11.91 C +ATOM 31 O GLY A 4 35.303 14.403 -3.781 1.00 16.23 O +ATOM 32 N ARG A 5 34.053 12.538 -3.973 1.00 14.65 N +ATOM 33 CA ARG A 5 33.565 12.538 -2.588 1.00 15.91 C +ATOM 34 C ARG A 5 34.665 12.734 -1.556 1.00 15.38 C +ATOM 35 O ARG A 5 34.669 13.651 -0.704 1.00 13.15 O +ATOM 36 CB ARG A 5 32.765 11.262 -2.331 1.00 17.38 C +ATOM 37 CG ARG A 5 32.213 11.203 -0.920 1.00 13.79 C +ATOM 38 CD ARG A 5 31.375 10.001 -0.722 1.00 15.84 C +ATOM 39 NE ARG A 5 32.059 8.749 -0.958 1.00 18.74 N +ATOM 40 CZ ARG A 5 32.733 8.011 -0.097 1.00 15.19 C +ATOM 41 NH1 ARG A 5 32.836 8.332 1.187 1.00 17.50 N +ATOM 42 NH2 ARG A 5 33.245 6.836 -0.526 1.00 23.44 N +ATOM 43 N CYS A 6 35.674 11.853 -1.612 1.00 14.07 N +ATOM 44 CA CYS A 6 36.781 11.870 -0.654 1.00 14.62 C +ATOM 45 C CYS A 6 37.747 13.050 -0.777 1.00 10.99 C +ATOM 46 O CYS A 6 38.148 13.609 0.264 1.00 16.34 O +ATOM 47 CB CYS A 6 37.491 10.532 -0.621 1.00 16.90 C +ATOM 48 SG CYS A 6 36.540 9.205 0.140 1.00 18.61 S +ATOM 49 N GLU A 7 37.861 13.481 -2.019 1.00 14.24 N +ATOM 50 CA GLU A 7 38.685 14.686 -2.311 1.00 13.83 C +ATOM 51 C GLU A 7 38.049 15.926 -1.658 1.00 14.86 C +ATOM 52 O GLU A 7 38.744 16.729 -1.011 1.00 15.01 O +ATOM 53 CB GLU A 7 38.784 14.846 -3.818 1.00 14.85 C +ATOM 54 CG GLU A 7 39.540 16.051 -4.379 1.00 18.50 C +ATOM 55 CD GLU A 7 39.576 16.242 -5.870 1.00 20.16 C +ATOM 56 OE1 GLU A 7 38.672 15.644 -6.491 1.00 26.20 O +ATOM 57 OE2 GLU A 7 40.415 16.953 -6.381 1.00 25.49 O +ATOM 58 N LEU A 8 36.743 16.049 -1.819 1.00 15.18 N +ATOM 59 CA LEU A 8 35.964 17.158 -1.255 1.00 12.72 C +ATOM 60 C LEU A 8 36.051 17.132 0.266 1.00 9.45 C +ATOM 61 O LEU A 8 36.159 18.166 0.920 1.00 13.45 O +ATOM 62 CB LEU A 8 34.528 17.172 -1.811 1.00 14.31 C +ATOM 63 CG LEU A 8 33.718 18.354 -1.305 1.00 15.95 C +ATOM 64 CD1 LEU A 8 34.297 19.656 -1.841 1.00 16.56 C +ATOM 65 CD2 LEU A 8 32.246 18.143 -1.596 1.00 15.88 C +ATOM 66 N ALA A 9 35.754 15.980 0.828 1.00 14.24 N +ATOM 67 CA ALA A 9 35.838 15.757 2.284 1.00 13.25 C +ATOM 68 C ALA A 9 37.144 16.314 2.840 1.00 12.89 C +ATOM 69 O ALA A 9 37.151 16.978 3.897 1.00 14.78 O +ATOM 70 CB ALA A 9 35.656 14.287 2.623 1.00 13.89 C +ATOM 71 N ALA A 10 38.272 15.983 2.204 1.00 12.54 N +ATOM 72 CA ALA A 10 39.610 16.431 2.616 1.00 16.58 C +ATOM 73 C ALA A 10 39.736 17.944 2.459 1.00 15.35 C +ATOM 74 O ALA A 10 40.193 18.499 3.469 1.00 17.40 O +ATOM 75 CB ALA A 10 40.708 15.706 1.842 1.00 15.49 C +ATOM 76 N ALA A 11 39.227 18.519 1.385 1.00 13.54 N +ATOM 77 CA ALA A 11 39.264 19.982 1.223 1.00 15.23 C +ATOM 78 C ALA A 11 38.491 20.702 2.321 1.00 15.68 C +ATOM 79 O ALA A 11 38.946 21.658 2.953 1.00 16.87 O +ATOM 80 CB ALA A 11 38.869 20.421 -0.175 1.00 14.12 C +ATOM 81 N MET A 12 37.288 20.214 2.590 1.00 15.47 N +ATOM 82 CA MET A 12 36.398 20.781 3.612 1.00 13.69 C +ATOM 83 C MET A 12 36.990 20.715 5.007 1.00 12.55 C +ATOM 84 O MET A 12 36.906 21.637 5.840 1.00 17.69 O +ATOM 85 CB MET A 12 34.993 20.213 3.515 1.00 11.18 C +ATOM 86 CG MET A 12 34.320 20.724 2.265 1.00 15.06 C +ATOM 87 SD MET A 12 32.634 19.986 2.235 1.00 17.81 S +ATOM 88 CE MET A 12 31.788 21.135 1.138 1.00 18.08 C +ATOM 89 N LYS A 13 37.688 19.628 5.314 1.00 12.42 N +ATOM 90 CA LYS A 13 38.387 19.385 6.579 1.00 14.58 C +ATOM 91 C LYS A 13 39.460 20.467 6.731 1.00 14.55 C +ATOM 92 O LYS A 13 39.507 21.137 7.776 1.00 16.49 O +ATOM 93 CB LYS A 13 38.934 17.952 6.572 1.00 15.36 C +ATOM 94 CG LYS A 13 39.742 17.555 7.798 1.00 20.46 C +ATOM 95 CD LYS A 13 38.973 16.777 8.834 1.00 23.53 C +ATOM 96 CE LYS A 13 39.293 15.305 8.751 1.00 26.37 C +ATOM 97 NZ LYS A 13 38.077 14.461 8.946 1.00 30.88 N +ATOM 98 N ARG A 14 40.267 20.629 5.688 1.00 18.91 N +ATOM 99 CA ARG A 14 41.387 21.577 5.713 1.00 17.66 C +ATOM 100 C ARG A 14 40.927 23.017 5.881 1.00 16.78 C +ATOM 101 O ARG A 14 41.557 23.834 6.584 1.00 20.06 O +ATOM 102 CB ARG A 14 42.388 21.351 4.601 1.00 20.89 C +ATOM 103 CG ARG A 14 42.173 22.079 3.289 1.00 25.07 C +ATOM 104 CD ARG A 14 43.444 22.075 2.490 1.00 23.98 C +ATOM 105 NE ARG A 14 43.687 20.710 2.012 1.00 31.92 N +ATOM 106 CZ ARG A 14 43.098 20.255 0.892 1.00 26.04 C +ATOM 107 NH1 ARG A 14 42.695 21.186 0.018 1.00 33.46 N +ATOM 108 NH2 ARG A 14 42.949 18.957 0.689 1.00 25.91 N +ATOM 109 N HIS A 15 39.681 23.247 5.463 1.00 17.84 N +ATOM 110 CA HIS A 15 39.075 24.591 5.526 1.00 15.99 C +ATOM 111 C HIS A 15 38.310 24.861 6.814 1.00 17.70 C +ATOM 112 O HIS A 15 37.608 25.875 6.952 1.00 22.68 O +ATOM 113 CB HIS A 15 38.223 24.918 4.285 1.00 19.19 C +ATOM 114 CG HIS A 15 39.085 25.388 3.171 1.00 20.14 C +ATOM 115 ND1 HIS A 15 39.457 24.635 2.091 1.00 24.53 N +ATOM 116 CD2 HIS A 15 39.739 26.570 2.993 1.00 24.44 C +ATOM 117 CE1 HIS A 15 40.211 25.312 1.258 1.00 20.68 C +ATOM 118 NE2 HIS A 15 40.524 26.419 1.889 1.00 27.34 N +ATOM 119 N GLY A 16 38.296 23.927 7.720 1.00 17.50 N +ATOM 120 CA GLY A 16 37.765 24.025 9.072 1.00 18.71 C +ATOM 121 C GLY A 16 36.264 23.799 9.210 1.00 18.40 C +ATOM 122 O GLY A 16 35.646 24.400 10.127 1.00 21.57 O +ATOM 123 N LEU A 17 35.665 23.073 8.274 1.00 17.56 N +ATOM 124 CA LEU A 17 34.238 22.795 8.298 1.00 15.38 C +ATOM 125 C LEU A 17 33.845 21.682 9.266 1.00 18.28 C +ATOM 126 O LEU A 17 32.643 21.594 9.552 1.00 18.24 O +ATOM 127 CB LEU A 17 33.648 22.647 6.901 1.00 15.02 C +ATOM 128 CG LEU A 17 33.451 23.889 6.060 1.00 16.08 C +ATOM 129 CD1 LEU A 17 32.933 23.420 4.705 1.00 13.83 C +ATOM 130 CD2 LEU A 17 32.556 24.946 6.679 1.00 18.60 C +ATOM 131 N ASP A 18 34.785 20.814 9.605 1.00 16.36 N +ATOM 132 CA ASP A 18 34.492 19.722 10.526 1.00 16.25 C +ATOM 133 C ASP A 18 34.015 20.222 11.901 1.00 17.32 C +ATOM 134 O ASP A 18 34.826 20.778 12.658 1.00 20.27 O +ATOM 135 CB ASP A 18 35.557 18.633 10.598 1.00 19.37 C +ATOM 136 CG ASP A 18 35.017 17.408 11.311 1.00 20.25 C +ATOM 137 OD1 ASP A 18 33.805 17.154 11.455 1.00 21.00 O +ATOM 138 OD2 ASP A 18 35.925 16.603 11.662 1.00 27.06 O +ATOM 139 N ASN A 19 32.746 19.990 12.205 1.00 18.55 N +ATOM 140 CA ASN A 19 32.123 20.431 13.448 1.00 17.19 C +ATOM 141 C ASN A 19 31.854 21.941 13.497 1.00 16.61 C +ATOM 142 O ASN A 19 31.426 22.398 14.573 1.00 18.56 O +ATOM 143 CB ASN A 19 32.767 20.004 14.770 1.00 18.92 C +ATOM 144 CG ASN A 19 32.162 20.512 16.064 1.00 24.64 C +ATOM 145 OD1 ASN A 19 30.967 20.273 16.355 1.00 32.53 O +ATOM 146 ND2 ASN A 19 32.847 21.361 16.852 1.00 24.14 N +ATOM 147 N TYR A 20 31.969 22.650 12.406 1.00 16.84 N +ATOM 148 CA TYR A 20 31.707 24.099 12.411 1.00 15.54 C +ATOM 149 C TYR A 20 30.231 24.343 12.759 1.00 15.81 C +ATOM 150 O TYR A 20 29.288 23.874 12.118 1.00 16.89 O +ATOM 151 CB TYR A 20 32.070 24.736 11.066 1.00 18.16 C +ATOM 152 CG TYR A 20 32.061 26.250 11.144 1.00 20.28 C +ATOM 153 CD1 TYR A 20 33.141 26.886 11.760 1.00 21.42 C +ATOM 154 CD2 TYR A 20 30.979 27.004 10.691 1.00 20.44 C +ATOM 155 CE1 TYR A 20 33.206 28.277 11.794 1.00 22.24 C +ATOM 156 CE2 TYR A 20 31.018 28.399 10.779 1.00 21.36 C +ATOM 157 CZ TYR A 20 32.102 29.017 11.383 1.00 19.38 C +ATOM 158 OH TYR A 20 32.136 30.371 11.525 1.00 26.77 O +ATOM 159 N ARG A 21 30.088 25.142 13.803 1.00 18.43 N +ATOM 160 CA ARG A 21 28.774 25.553 14.319 1.00 15.68 C +ATOM 161 C ARG A 21 27.964 24.312 14.623 1.00 15.17 C +ATOM 162 O ARG A 21 26.733 24.333 14.606 1.00 18.36 O +ATOM 163 CB ARG A 21 28.014 26.565 13.453 1.00 19.21 C +ATOM 164 CG ARG A 21 28.507 27.995 13.535 1.00 21.50 C +ATOM 165 CD ARG A 21 28.110 28.755 14.765 1.00 25.00 C +ATOM 166 NE ARG A 21 29.319 29.321 15.324 1.00 30.37 N +ATOM 167 CZ ARG A 21 30.215 30.234 14.978 1.00 29.02 C +ATOM 168 NH1 ARG A 21 31.501 29.856 14.846 1.00 29.04 N +ATOM 169 NH2 ARG A 21 29.938 31.437 14.495 1.00 31.89 N +ATOM 170 N GLY A 22 28.689 23.250 14.998 1.00 17.81 N +ATOM 171 CA GLY A 22 28.103 22.021 15.519 1.00 17.72 C +ATOM 172 C GLY A 22 27.748 21.018 14.436 1.00 18.89 C +ATOM 173 O GLY A 22 27.085 20.022 14.784 1.00 23.26 O +ATOM 174 N TYR A 23 28.209 21.230 13.216 1.00 18.20 N +ATOM 175 CA TYR A 23 27.887 20.318 12.111 1.00 15.42 C +ATOM 176 C TYR A 23 29.124 19.533 11.628 1.00 16.30 C +ATOM 177 O TYR A 23 30.045 20.191 11.139 1.00 16.66 O +ATOM 178 CB TYR A 23 27.351 21.107 10.913 1.00 15.82 C +ATOM 179 CG TYR A 23 26.001 21.745 11.127 1.00 15.96 C +ATOM 180 CD1 TYR A 23 24.846 20.962 11.139 1.00 14.81 C +ATOM 181 CD2 TYR A 23 25.897 23.096 11.458 1.00 16.60 C +ATOM 182 CE1 TYR A 23 23.600 21.518 11.422 1.00 17.08 C +ATOM 183 CE2 TYR A 23 24.647 23.673 11.726 1.00 19.34 C +ATOM 184 CZ TYR A 23 23.518 22.881 11.701 1.00 19.21 C +ATOM 185 OH TYR A 23 22.289 23.438 11.912 1.00 25.61 O +ATOM 186 N SER A 24 29.029 18.223 11.810 1.00 15.35 N +ATOM 187 CA SER A 24 30.143 17.347 11.414 1.00 16.89 C +ATOM 188 C SER A 24 30.359 17.379 9.895 1.00 15.61 C +ATOM 189 O SER A 24 29.442 17.687 9.139 1.00 13.88 O +ATOM 190 CB SER A 24 29.922 15.934 11.907 1.00 17.54 C +ATOM 191 OG SER A 24 28.799 15.336 11.308 1.00 19.85 O +ATOM 192 N LEU A 25 31.593 17.028 9.540 1.00 16.08 N +ATOM 193 CA LEU A 25 32.035 17.092 8.138 1.00 13.16 C +ATOM 194 C LEU A 25 31.030 16.437 7.183 1.00 13.39 C +ATOM 195 O LEU A 25 30.874 16.924 6.056 1.00 15.34 O +ATOM 196 CB LEU A 25 33.410 16.409 8.084 1.00 13.47 C +ATOM 197 CG LEU A 25 34.015 16.477 6.689 1.00 12.91 C +ATOM 198 CD1 LEU A 25 34.174 17.929 6.289 1.00 13.04 C +ATOM 199 CD2 LEU A 25 35.398 15.810 6.752 1.00 14.54 C +ATOM 200 N GLY A 26 30.501 15.280 7.576 1.00 13.10 N +ATOM 201 CA GLY A 26 29.539 14.561 6.756 1.00 13.88 C +ATOM 202 C GLY A 26 28.338 15.378 6.277 1.00 12.12 C +ATOM 203 O GLY A 26 27.886 15.250 5.120 1.00 13.13 O +ATOM 204 N ASN A 27 27.905 16.281 7.161 1.00 12.16 N +ATOM 205 CA ASN A 27 26.827 17.227 6.857 1.00 14.74 C +ATOM 206 C ASN A 27 27.164 18.015 5.597 1.00 15.43 C +ATOM 207 O ASN A 27 26.317 18.208 4.720 1.00 15.27 O +ATOM 208 CB ASN A 27 26.484 18.126 8.054 1.00 12.34 C +ATOM 209 CG ASN A 27 25.681 17.267 9.048 1.00 12.22 C +ATOM 210 OD1 ASN A 27 24.511 16.933 8.820 1.00 17.40 O +ATOM 211 ND2 ASN A 27 26.348 17.052 10.169 1.00 18.27 N +ATOM 212 N TRP A 28 28.344 18.591 5.583 1.00 16.78 N +ATOM 213 CA TRP A 28 28.831 19.475 4.513 1.00 16.49 C +ATOM 214 C TRP A 28 28.940 18.741 3.183 1.00 12.99 C +ATOM 215 O TRP A 28 28.742 19.321 2.090 1.00 13.97 O +ATOM 216 CB TRP A 28 30.104 20.145 5.023 1.00 14.55 C +ATOM 217 CG TRP A 28 29.941 20.978 6.251 1.00 11.93 C +ATOM 218 CD1 TRP A 28 30.176 20.624 7.546 1.00 14.42 C +ATOM 219 CD2 TRP A 28 29.319 22.284 6.287 1.00 13.11 C +ATOM 220 NE1 TRP A 28 29.924 21.690 8.365 1.00 16.94 N +ATOM 221 CE2 TRP A 28 29.337 22.679 7.641 1.00 14.07 C +ATOM 222 CE3 TRP A 28 28.894 23.168 5.295 1.00 15.97 C +ATOM 223 CZ2 TRP A 28 28.913 23.943 8.038 1.00 18.07 C +ATOM 224 CZ3 TRP A 28 28.398 24.404 5.682 1.00 18.26 C +ATOM 225 CH2 TRP A 28 28.431 24.766 7.025 1.00 17.18 C +ATOM 226 N VAL A 29 29.572 17.543 3.261 1.00 13.00 N +ATOM 227 CA VAL A 29 29.729 16.711 2.047 1.00 14.15 C +ATOM 228 C VAL A 29 28.379 16.340 1.429 1.00 10.43 C +ATOM 229 O VAL A 29 28.166 16.496 0.228 1.00 13.40 O +ATOM 230 CB VAL A 29 30.649 15.492 2.359 1.00 12.76 C +ATOM 231 CG1 VAL A 29 30.782 14.596 1.136 1.00 15.37 C +ATOM 232 CG2 VAL A 29 32.010 16.050 2.772 1.00 14.18 C +ATOM 233 N CYS A 30 27.501 15.906 2.299 1.00 15.32 N +ATOM 234 CA CYS A 30 26.115 15.567 1.991 1.00 15.59 C +ATOM 235 C CYS A 30 25.388 16.723 1.302 1.00 12.37 C +ATOM 236 O CYS A 30 24.894 16.516 0.172 1.00 14.44 O +ATOM 237 CB CYS A 30 25.343 15.046 3.172 1.00 14.99 C +ATOM 238 SG CYS A 30 23.719 14.376 2.695 1.00 17.71 S +ATOM 239 N ALA A 31 25.533 17.913 1.870 1.00 16.06 N +ATOM 240 CA ALA A 31 24.949 19.130 1.305 1.00 15.82 C +ATOM 241 C ALA A 31 25.487 19.354 -0.115 1.00 15.34 C +ATOM 242 O ALA A 31 24.675 19.686 -0.998 1.00 16.00 O +ATOM 243 CB ALA A 31 25.167 20.335 2.200 1.00 14.90 C +ATOM 244 N ALA A 32 26.807 19.354 -0.286 1.00 11.93 N +ATOM 245 CA ALA A 32 27.461 19.536 -1.579 1.00 13.08 C +ATOM 246 C ALA A 32 26.943 18.538 -2.620 1.00 12.38 C +ATOM 247 O ALA A 32 26.767 18.857 -3.789 1.00 13.89 O +ATOM 248 CB ALA A 32 28.982 19.476 -1.398 1.00 14.17 C +ATOM 249 N LYS A 33 26.731 17.303 -2.193 1.00 15.16 N +ATOM 250 CA LYS A 33 26.261 16.216 -3.037 1.00 16.16 C +ATOM 251 C LYS A 33 24.903 16.555 -3.658 1.00 15.04 C +ATOM 252 O LYS A 33 24.806 16.511 -4.890 1.00 15.00 O +ATOM 253 CB LYS A 33 26.221 14.860 -2.351 1.00 16.71 C +ATOM 254 CG LYS A 33 25.697 13.696 -3.185 1.00 19.51 C +ATOM 255 CD LYS A 33 26.498 13.400 -4.446 1.00 17.12 C +ATOM 256 CE LYS A 33 25.686 12.464 -5.331 1.00 24.06 C +ATOM 257 NZ LYS A 33 26.423 11.979 -6.525 1.00 26.78 N +ATOM 258 N PHE A 34 23.972 16.946 -2.817 1.00 16.81 N +ATOM 259 CA PHE A 34 22.569 17.125 -3.247 1.00 17.51 C +ATOM 260 C PHE A 34 22.346 18.506 -3.836 1.00 18.19 C +ATOM 261 O PHE A 34 21.504 18.692 -4.759 1.00 20.21 O +ATOM 262 CB PHE A 34 21.626 16.673 -2.130 1.00 18.58 C +ATOM 263 CG PHE A 34 21.644 15.172 -1.965 1.00 22.22 C +ATOM 264 CD1 PHE A 34 21.209 14.353 -3.007 1.00 20.24 C +ATOM 265 CD2 PHE A 34 22.272 14.627 -0.851 1.00 20.00 C +ATOM 266 CE1 PHE A 34 21.372 12.961 -2.910 1.00 22.03 C +ATOM 267 CE2 PHE A 34 22.443 13.245 -0.743 1.00 21.96 C +ATOM 268 CZ PHE A 34 21.923 12.406 -1.737 1.00 20.77 C +ATOM 269 N GLU A 35 23.251 19.415 -3.451 1.00 15.27 N +ATOM 270 CA GLU A 35 23.178 20.789 -3.996 1.00 15.45 C +ATOM 271 C GLU A 35 23.661 20.944 -5.423 1.00 17.45 C +ATOM 272 O GLU A 35 23.014 21.514 -6.310 1.00 17.91 O +ATOM 273 CB GLU A 35 23.698 21.892 -3.107 1.00 14.42 C +ATOM 274 CG GLU A 35 22.994 22.212 -1.809 1.00 11.08 C +ATOM 275 CD GLU A 35 21.631 22.846 -1.864 1.00 13.55 C +ATOM 276 OE1 GLU A 35 21.408 23.360 -2.981 1.00 20.77 O +ATOM 277 OE2 GLU A 35 20.947 23.032 -0.874 1.00 22.72 O +ATOM 278 N SER A 36 24.867 20.483 -5.674 1.00 15.66 N +ATOM 279 CA SER A 36 25.626 20.615 -6.903 1.00 17.79 C +ATOM 280 C SER A 36 26.139 19.341 -7.569 1.00 16.97 C +ATOM 281 O SER A 36 26.750 19.464 -8.642 1.00 21.78 O +ATOM 282 CB SER A 36 26.830 21.528 -6.654 1.00 18.12 C +ATOM 283 OG SER A 36 27.747 20.951 -5.748 1.00 15.16 O +ATOM 284 N ASN A 37 25.957 18.222 -6.927 1.00 20.15 N +ATOM 285 CA ASN A 37 26.628 16.968 -7.297 1.00 20.85 C +ATOM 286 C ASN A 37 28.149 17.091 -7.302 1.00 19.72 C +ATOM 287 O ASN A 37 28.813 16.627 -8.254 1.00 20.79 O +ATOM 288 CB ASN A 37 26.028 16.490 -8.617 1.00 20.82 C +ATOM 289 CG ASN A 37 26.156 14.980 -8.782 1.00 23.63 C +ATOM 290 OD1 ASN A 37 26.640 14.266 -7.885 1.00 28.05 O +ATOM 291 ND2 ASN A 37 25.867 14.506 -9.990 1.00 29.61 N +ATOM 292 N PHE A 38 28.691 17.882 -6.383 1.00 16.12 N +ATOM 293 CA PHE A 38 30.129 18.115 -6.279 1.00 14.75 C +ATOM 294 C PHE A 38 30.717 18.903 -7.448 1.00 13.86 C +ATOM 295 O PHE A 38 31.923 18.794 -7.702 1.00 16.66 O +ATOM 296 CB PHE A 38 30.914 16.823 -6.047 1.00 17.09 C +ATOM 297 CG PHE A 38 30.487 16.006 -4.863 1.00 15.96 C +ATOM 298 CD1 PHE A 38 30.100 16.572 -3.655 1.00 15.43 C +ATOM 299 CD2 PHE A 38 30.507 14.603 -4.993 1.00 17.66 C +ATOM 300 CE1 PHE A 38 29.766 15.808 -2.558 1.00 16.83 C +ATOM 301 CE2 PHE A 38 30.136 13.814 -3.891 1.00 15.86 C +ATOM 302 CZ PHE A 38 29.835 14.410 -2.646 1.00 18.90 C +ATOM 303 N ASN A 39 29.936 19.792 -8.033 1.00 17.63 N +ATOM 304 CA ASN A 39 30.341 20.573 -9.199 1.00 16.77 C +ATOM 305 C ASN A 39 30.543 22.034 -8.823 1.00 17.13 C +ATOM 306 O ASN A 39 29.544 22.649 -8.423 1.00 17.24 O +ATOM 307 CB ASN A 39 29.406 20.300 -10.366 1.00 17.40 C +ATOM 308 CG ASN A 39 29.876 20.771 -11.716 1.00 16.96 C +ATOM 309 OD1 ASN A 39 30.579 21.750 -11.956 1.00 23.22 O +ATOM 310 ND2 ASN A 39 29.578 19.864 -12.653 1.00 26.35 N +ATOM 311 N THR A 40 31.766 22.492 -8.928 1.00 14.88 N +ATOM 312 CA THR A 40 32.139 23.869 -8.657 1.00 16.08 C +ATOM 313 C THR A 40 31.504 24.890 -9.589 1.00 16.31 C +ATOM 314 O THR A 40 31.316 26.054 -9.213 1.00 17.50 O +ATOM 315 CB THR A 40 33.684 24.103 -8.422 1.00 17.07 C +ATOM 316 OG1 THR A 40 34.270 24.156 -9.775 1.00 23.76 O +ATOM 317 CG2 THR A 40 34.414 23.119 -7.491 1.00 16.46 C +ATOM 318 N GLN A 41 31.001 24.430 -10.706 1.00 16.39 N +ATOM 319 CA GLN A 41 30.524 25.291 -11.812 1.00 16.67 C +ATOM 320 C GLN A 41 28.993 25.381 -11.874 1.00 15.44 C +ATOM 321 O GLN A 41 28.504 26.019 -12.837 1.00 18.55 O +ATOM 322 CB GLN A 41 31.047 24.817 -13.168 1.00 19.65 C +ATOM 323 CG GLN A 41 32.549 25.004 -13.279 1.00 21.26 C +ATOM 324 CD GLN A 41 32.763 26.236 -14.129 1.00 26.23 C +ATOM 325 OE1 GLN A 41 32.356 26.308 -15.291 1.00 24.68 O +ATOM 326 NE2 GLN A 41 33.276 27.231 -13.420 1.00 25.96 N +ATOM 327 N ALA A 42 28.329 24.640 -11.012 1.00 15.95 N +ATOM 328 CA ALA A 42 26.859 24.579 -11.061 1.00 17.42 C +ATOM 329 C ALA A 42 26.257 25.969 -10.807 1.00 18.93 C +ATOM 330 O ALA A 42 26.645 26.686 -9.884 1.00 17.00 O +ATOM 331 CB ALA A 42 26.355 23.604 -9.998 1.00 22.79 C +ATOM 332 N THR A 43 25.276 26.293 -11.643 1.00 18.30 N +ATOM 333 CA THR A 43 24.441 27.490 -11.476 1.00 17.73 C +ATOM 334 C THR A 43 22.976 27.112 -11.714 1.00 19.61 C +ATOM 335 O THR A 43 22.715 26.271 -12.594 1.00 22.06 O +ATOM 336 CB THR A 43 24.814 28.728 -12.375 1.00 17.58 C +ATOM 337 OG1 THR A 43 24.555 28.321 -13.756 1.00 20.94 O +ATOM 338 CG2 THR A 43 26.247 29.213 -12.184 1.00 18.26 C +ATOM 339 N ASN A 44 22.088 27.742 -10.971 1.00 19.77 N +ATOM 340 CA ASN A 44 20.640 27.497 -11.108 1.00 19.51 C +ATOM 341 C ASN A 44 19.903 28.842 -10.963 1.00 14.85 C +ATOM 342 O ASN A 44 20.169 29.600 -10.033 1.00 19.43 O +ATOM 343 CB ASN A 44 20.155 26.480 -10.080 1.00 19.93 C +ATOM 344 CG ASN A 44 18.646 26.315 -10.115 1.00 22.01 C +ATOM 345 OD1 ASN A 44 18.128 25.720 -11.078 1.00 29.53 O +ATOM 346 ND2 ASN A 44 17.906 26.927 -9.188 1.00 22.94 N +ATOM 347 N ARG A 45 19.058 29.117 -11.924 1.00 16.90 N +ATOM 348 CA ARG A 45 18.303 30.363 -12.015 1.00 18.37 C +ATOM 349 C ARG A 45 16.955 30.163 -11.326 1.00 18.76 C +ATOM 350 O ARG A 45 16.396 29.062 -11.425 1.00 20.87 O +ATOM 351 CB ARG A 45 18.143 30.836 -13.462 1.00 19.30 C +ATOM 352 CG ARG A 45 17.012 31.859 -13.557 1.00 23.98 C +ATOM 353 CD ARG A 45 17.502 33.134 -12.930 1.00 23.36 C +ATOM 354 NE ARG A 45 18.311 33.758 -13.981 1.00 29.56 N +ATOM 355 CZ ARG A 45 17.620 34.271 -15.020 1.00 27.18 C +ATOM 356 NH1 ARG A 45 16.287 34.331 -15.098 1.00 31.99 N +ATOM 357 NH2 ARG A 45 18.374 34.698 -16.030 1.00 32.43 N +ATOM 358 N ASN A 46 16.553 31.171 -10.554 1.00 18.13 N +ATOM 359 CA ASN A 46 15.304 31.071 -9.782 1.00 20.10 C +ATOM 360 C ASN A 46 14.261 32.063 -10.313 1.00 17.35 C +ATOM 361 O ASN A 46 14.617 33.104 -10.880 1.00 19.15 O +ATOM 362 CB ASN A 46 15.576 31.229 -8.295 1.00 20.05 C +ATOM 363 CG ASN A 46 16.543 30.240 -7.679 1.00 20.12 C +ATOM 364 OD1 ASN A 46 17.659 30.661 -7.346 1.00 21.21 O +ATOM 365 ND2 ASN A 46 16.125 28.975 -7.600 1.00 19.44 N +ATOM 366 N THR A 47 13.027 31.834 -9.887 1.00 19.96 N +ATOM 367 CA THR A 47 11.871 32.654 -10.246 1.00 19.12 C +ATOM 368 C THR A 47 12.001 34.107 -9.810 1.00 19.44 C +ATOM 369 O THR A 47 11.600 34.969 -10.606 1.00 23.16 O +ATOM 370 CB THR A 47 10.499 32.017 -9.789 1.00 17.70 C +ATOM 371 OG1 THR A 47 10.507 32.195 -8.342 1.00 23.76 O +ATOM 372 CG2 THR A 47 10.331 30.554 -10.188 1.00 22.66 C +ATOM 373 N ASP A 48 12.625 34.377 -8.683 1.00 19.25 N +ATOM 374 CA ASP A 48 12.885 35.716 -8.168 1.00 17.33 C +ATOM 375 C ASP A 48 14.010 36.505 -8.823 1.00 17.71 C +ATOM 376 O ASP A 48 14.246 37.621 -8.309 1.00 23.04 O +ATOM 377 CB ASP A 48 13.023 35.735 -6.640 1.00 18.02 C +ATOM 378 CG ASP A 48 14.367 35.174 -6.168 1.00 17.88 C +ATOM 379 OD1 ASP A 48 15.104 34.602 -6.991 1.00 18.55 O +ATOM 380 OD2 ASP A 48 14.750 35.442 -5.013 1.00 22.86 O +ATOM 381 N GLY A 49 14.650 36.018 -9.862 1.00 17.62 N +ATOM 382 CA GLY A 49 15.744 36.702 -10.546 1.00 17.27 C +ATOM 383 C GLY A 49 17.147 36.315 -10.096 1.00 16.80 C +ATOM 384 O GLY A 49 18.168 36.688 -10.694 1.00 20.27 O +ATOM 385 N SER A 50 17.173 35.661 -8.930 1.00 19.61 N +ATOM 386 CA SER A 50 18.435 35.225 -8.279 1.00 14.28 C +ATOM 387 C SER A 50 18.977 33.963 -8.941 1.00 18.09 C +ATOM 388 O SER A 50 18.273 33.255 -9.697 1.00 16.76 O +ATOM 389 CB SER A 50 18.272 35.089 -6.781 1.00 17.64 C +ATOM 390 OG SER A 50 17.530 33.930 -6.463 1.00 17.54 O +ATOM 391 N THR A 51 20.271 33.766 -8.734 1.00 16.00 N +ATOM 392 CA THR A 51 20.970 32.557 -9.202 1.00 13.82 C +ATOM 393 C THR A 51 21.718 31.969 -8.000 1.00 14.58 C +ATOM 394 O THR A 51 22.160 32.712 -7.119 1.00 13.28 O +ATOM 395 CB THR A 51 21.904 32.908 -10.419 1.00 12.66 C +ATOM 396 OG1 THR A 51 21.099 33.576 -11.407 1.00 17.65 O +ATOM 397 CG2 THR A 51 22.686 31.699 -10.952 1.00 14.39 C +ATOM 398 N ASP A 52 21.708 30.650 -7.927 1.00 14.66 N +ATOM 399 CA ASP A 52 22.528 29.900 -6.959 1.00 13.43 C +ATOM 400 C ASP A 52 23.843 29.488 -7.635 1.00 12.35 C +ATOM 401 O ASP A 52 23.847 29.066 -8.805 1.00 15.18 O +ATOM 402 CB ASP A 52 21.765 28.649 -6.554 1.00 14.12 C +ATOM 403 CG ASP A 52 20.396 28.991 -6.002 1.00 20.03 C +ATOM 404 OD1 ASP A 52 20.220 29.928 -5.237 1.00 21.30 O +ATOM 405 OD2 ASP A 52 19.517 28.144 -6.222 1.00 20.92 O +ATOM 406 N TYR A 53 24.924 29.734 -6.905 1.00 14.56 N +ATOM 407 CA TYR A 53 26.278 29.604 -7.450 1.00 13.61 C +ATOM 408 C TYR A 53 27.161 28.595 -6.708 1.00 12.70 C +ATOM 409 O TYR A 53 27.289 28.606 -5.486 1.00 13.36 O +ATOM 410 CB TYR A 53 26.993 30.972 -7.489 1.00 12.10 C +ATOM 411 CG TYR A 53 26.437 31.959 -8.487 1.00 11.48 C +ATOM 412 CD1 TYR A 53 26.843 32.003 -9.821 1.00 17.21 C +ATOM 413 CD2 TYR A 53 25.510 32.907 -8.050 1.00 14.42 C +ATOM 414 CE1 TYR A 53 26.291 32.922 -10.717 1.00 17.40 C +ATOM 415 CE2 TYR A 53 24.907 33.803 -8.932 1.00 12.97 C +ATOM 416 CZ TYR A 53 25.357 33.847 -10.252 1.00 15.91 C +ATOM 417 OH TYR A 53 24.864 34.804 -11.094 1.00 19.31 O +ATOM 418 N GLY A 54 27.751 27.721 -7.493 1.00 16.54 N +ATOM 419 CA GLY A 54 28.845 26.832 -7.121 1.00 15.67 C +ATOM 420 C GLY A 54 28.499 25.601 -6.290 1.00 10.78 C +ATOM 421 O GLY A 54 27.339 25.155 -6.255 1.00 13.16 O +ATOM 422 N ILE A 55 29.560 25.088 -5.684 1.00 15.43 N +ATOM 423 CA ILE A 55 29.452 23.795 -4.994 1.00 14.01 C +ATOM 424 C ILE A 55 28.424 23.748 -3.872 1.00 12.26 C +ATOM 425 O ILE A 55 27.770 22.697 -3.693 1.00 16.92 O +ATOM 426 CB ILE A 55 30.891 23.340 -4.563 1.00 16.64 C +ATOM 427 CG1 ILE A 55 30.785 21.812 -4.319 1.00 17.00 C +ATOM 428 CG2 ILE A 55 31.396 24.210 -3.390 1.00 18.87 C +ATOM 429 CD1 ILE A 55 32.101 21.018 -4.339 1.00 20.60 C +ATOM 430 N LEU A 56 28.216 24.881 -3.236 1.00 12.85 N +ATOM 431 CA LEU A 56 27.173 24.998 -2.203 1.00 14.96 C +ATOM 432 C LEU A 56 25.981 25.838 -2.659 1.00 11.08 C +ATOM 433 O LEU A 56 25.161 26.111 -1.774 1.00 16.40 O +ATOM 434 CB LEU A 56 27.816 25.424 -0.877 1.00 14.44 C +ATOM 435 CG LEU A 56 28.692 24.348 -0.204 1.00 14.92 C +ATOM 436 CD1 LEU A 56 29.331 24.997 1.008 1.00 18.78 C +ATOM 437 CD2 LEU A 56 27.808 23.177 0.192 1.00 19.47 C +ATOM 438 N GLN A 57 25.865 26.104 -3.946 1.00 14.17 N +ATOM 439 CA GLN A 57 24.668 26.785 -4.465 1.00 11.55 C +ATOM 440 C GLN A 57 24.277 27.940 -3.558 1.00 15.09 C +ATOM 441 O GLN A 57 23.116 28.031 -3.094 1.00 15.28 O +ATOM 442 CB GLN A 57 23.521 25.765 -4.549 1.00 13.56 C +ATOM 443 CG GLN A 57 23.733 24.790 -5.699 1.00 12.45 C +ATOM 444 CD GLN A 57 23.684 25.440 -7.069 1.00 14.21 C +ATOM 445 OE1 GLN A 57 22.574 25.602 -7.591 1.00 18.18 O +ATOM 446 NE2 GLN A 57 24.813 25.805 -7.651 1.00 14.86 N +ATOM 447 N ILE A 58 25.164 28.910 -3.428 1.00 14.04 N +ATOM 448 CA ILE A 58 24.930 30.118 -2.649 1.00 16.09 C +ATOM 449 C ILE A 58 24.204 31.163 -3.504 1.00 11.19 C +ATOM 450 O ILE A 58 24.555 31.405 -4.667 1.00 14.34 O +ATOM 451 CB ILE A 58 26.301 30.665 -2.134 1.00 14.90 C +ATOM 452 CG1 ILE A 58 26.751 29.724 -0.985 1.00 13.85 C +ATOM 453 CG2 ILE A 58 26.178 32.135 -1.693 1.00 15.47 C +ATOM 454 CD1 ILE A 58 28.246 29.954 -0.641 1.00 16.12 C +ATOM 455 N ASN A 59 23.145 31.671 -2.905 1.00 14.23 N +ATOM 456 CA ASN A 59 22.146 32.510 -3.590 1.00 10.60 C +ATOM 457 C ASN A 59 22.550 33.974 -3.730 1.00 13.03 C +ATOM 458 O ASN A 59 22.917 34.607 -2.740 1.00 18.49 O +ATOM 459 CB ASN A 59 20.805 32.306 -2.884 1.00 15.76 C +ATOM 460 CG ASN A 59 19.650 32.986 -3.588 1.00 15.71 C +ATOM 461 OD1 ASN A 59 19.464 34.171 -3.244 1.00 18.79 O +ATOM 462 ND2 ASN A 59 19.155 32.320 -4.612 1.00 16.44 N +ATOM 463 N SER A 60 22.268 34.485 -4.941 1.00 11.71 N +ATOM 464 CA SER A 60 22.570 35.910 -5.255 1.00 13.81 C +ATOM 465 C SER A 60 21.687 36.993 -4.642 1.00 15.28 C +ATOM 466 O SER A 60 22.054 38.177 -4.774 1.00 17.67 O +ATOM 467 CB SER A 60 22.643 36.139 -6.750 1.00 14.62 C +ATOM 468 OG SER A 60 21.432 36.007 -7.444 1.00 14.30 O +ATOM 469 N ARG A 61 20.526 36.660 -4.138 1.00 15.88 N +ATOM 470 CA ARG A 61 19.691 37.653 -3.434 1.00 18.54 C +ATOM 471 C ARG A 61 20.277 38.108 -2.106 1.00 19.97 C +ATOM 472 O ARG A 61 20.282 39.333 -1.876 1.00 26.30 O +ATOM 473 CB ARG A 61 18.267 37.195 -3.250 1.00 18.00 C +ATOM 474 CG ARG A 61 17.315 38.350 -2.959 1.00 20.10 C +ATOM 475 CD ARG A 61 16.063 37.657 -2.503 1.00 26.00 C +ATOM 476 NE ARG A 61 15.101 38.653 -2.063 1.00 29.28 N +ATOM 477 CZ ARG A 61 13.794 38.351 -2.111 1.00 29.36 C +ATOM 478 NH1 ARG A 61 13.439 37.257 -2.784 1.00 26.50 N +ATOM 479 NH2 ARG A 61 12.925 39.249 -1.646 1.00 32.93 N +ATOM 480 N TRP A 62 20.773 37.202 -1.273 1.00 16.51 N +ATOM 481 CA TRP A 62 21.321 37.563 0.032 1.00 16.06 C +ATOM 482 C TRP A 62 22.848 37.643 0.101 1.00 15.55 C +ATOM 483 O TRP A 62 23.323 38.396 0.968 1.00 18.96 O +ATOM 484 CB TRP A 62 20.833 36.611 1.134 1.00 17.91 C +ATOM 485 CG TRP A 62 19.360 36.361 1.096 1.00 18.99 C +ATOM 486 CD1 TRP A 62 18.719 35.247 0.643 1.00 20.47 C +ATOM 487 CD2 TRP A 62 18.326 37.305 1.427 1.00 20.79 C +ATOM 488 NE1 TRP A 62 17.360 35.457 0.609 1.00 21.70 N +ATOM 489 CE2 TRP A 62 17.090 36.696 1.096 1.00 21.11 C +ATOM 490 CE3 TRP A 62 18.333 38.584 1.965 1.00 19.84 C +ATOM 491 CZ2 TRP A 62 15.875 37.327 1.307 1.00 22.57 C +ATOM 492 CZ3 TRP A 62 17.115 39.208 2.186 1.00 23.93 C +ATOM 493 CH2 TRP A 62 15.906 38.611 1.814 1.00 19.55 C +ATOM 494 N TRP A 63 23.537 36.731 -0.584 1.00 16.01 N +ATOM 495 CA TRP A 63 24.906 36.398 -0.276 1.00 15.21 C +ATOM 496 C TRP A 63 26.089 36.924 -1.052 1.00 15.84 C +ATOM 497 O TRP A 63 27.142 37.177 -0.432 1.00 19.13 O +ATOM 498 CB TRP A 63 25.068 34.919 0.112 1.00 15.47 C +ATOM 499 CG TRP A 63 24.036 34.428 1.068 1.00 12.46 C +ATOM 500 CD1 TRP A 63 22.959 33.620 0.777 1.00 16.95 C +ATOM 501 CD2 TRP A 63 23.919 34.728 2.450 1.00 13.27 C +ATOM 502 NE1 TRP A 63 22.243 33.344 1.899 1.00 17.64 N +ATOM 503 CE2 TRP A 63 22.761 34.067 2.931 1.00 17.28 C +ATOM 504 CE3 TRP A 63 24.694 35.480 3.323 1.00 15.25 C +ATOM 505 CZ2 TRP A 63 22.393 34.133 4.278 1.00 18.56 C +ATOM 506 CZ3 TRP A 63 24.302 35.586 4.648 1.00 18.76 C +ATOM 507 CH2 TRP A 63 23.179 34.910 5.117 1.00 19.36 C +ATOM 508 N CYS A 64 25.962 36.914 -2.353 1.00 17.00 N +ATOM 509 CA CYS A 64 26.985 37.433 -3.271 1.00 15.76 C +ATOM 510 C CYS A 64 26.324 38.355 -4.286 1.00 15.97 C +ATOM 511 O CYS A 64 25.102 38.314 -4.475 1.00 13.75 O +ATOM 512 CB CYS A 64 27.638 36.265 -3.988 1.00 16.64 C +ATOM 513 SG CYS A 64 26.562 35.233 -5.007 1.00 17.83 S +ATOM 514 N ASN A 65 27.157 39.165 -4.908 1.00 17.73 N +ATOM 515 CA ASN A 65 26.700 40.134 -5.920 1.00 16.46 C +ATOM 516 C ASN A 65 26.985 39.646 -7.342 1.00 13.16 C +ATOM 517 O ASN A 65 28.130 39.316 -7.647 1.00 15.95 O +ATOM 518 CB ASN A 65 27.381 41.492 -5.712 1.00 19.19 C +ATOM 519 CG ASN A 65 26.910 42.423 -6.824 1.00 19.59 C +ATOM 520 OD1 ASN A 65 25.736 42.559 -7.141 1.00 23.26 O +ATOM 521 ND2 ASN A 65 27.914 42.938 -7.527 1.00 25.56 N +ATOM 522 N ASP A 66 25.920 39.484 -8.116 1.00 15.60 N +ATOM 523 CA ASP A 66 26.102 39.180 -9.545 1.00 15.28 C +ATOM 524 C ASP A 66 25.664 40.317 -10.460 1.00 15.23 C +ATOM 525 O ASP A 66 25.719 40.143 -11.673 1.00 17.91 O +ATOM 526 CB ASP A 66 25.462 37.858 -9.894 1.00 14.84 C +ATOM 527 CG ASP A 66 23.951 37.903 -9.833 1.00 12.12 C +ATOM 528 OD1 ASP A 66 23.288 38.898 -9.542 1.00 16.56 O +ATOM 529 OD2 ASP A 66 23.455 36.769 -10.048 1.00 16.91 O +ATOM 530 N GLY A 67 25.234 41.408 -9.860 1.00 18.13 N +ATOM 531 CA GLY A 67 24.817 42.607 -10.577 1.00 19.40 C +ATOM 532 C GLY A 67 23.544 42.553 -11.401 1.00 20.37 C +ATOM 533 O GLY A 67 23.191 43.542 -12.055 1.00 18.23 O +ATOM 534 N ARG A 68 22.822 41.441 -11.348 1.00 18.79 N +ATOM 535 CA ARG A 68 21.560 41.308 -12.092 1.00 19.77 C +ATOM 536 C ARG A 68 20.424 40.765 -11.243 1.00 18.48 C +ATOM 537 O ARG A 68 19.385 40.383 -11.795 1.00 21.54 O +ATOM 538 CB ARG A 68 21.746 40.454 -13.339 1.00 18.97 C +ATOM 539 CG ARG A 68 22.197 39.048 -12.946 1.00 18.77 C +ATOM 540 CD ARG A 68 22.477 38.187 -14.122 1.00 23.25 C +ATOM 541 NE ARG A 68 21.439 37.201 -14.281 1.00 29.75 N +ATOM 542 CZ ARG A 68 20.242 37.255 -14.855 1.00 28.71 C +ATOM 543 NH1 ARG A 68 19.503 38.311 -15.145 1.00 32.34 N +ATOM 544 NH2 ARG A 68 19.897 36.127 -15.497 1.00 33.10 N +ATOM 545 N THR A 69 20.590 40.896 -9.952 1.00 18.68 N +ATOM 546 CA THR A 69 19.607 40.408 -8.973 1.00 20.02 C +ATOM 547 C THR A 69 18.994 41.597 -8.224 1.00 16.46 C +ATOM 548 O THR A 69 19.683 42.241 -7.425 1.00 23.13 O +ATOM 549 CB THR A 69 20.208 39.384 -7.910 1.00 19.66 C +ATOM 550 OG1 THR A 69 20.851 38.334 -8.715 1.00 19.19 O +ATOM 551 CG2 THR A 69 19.123 38.863 -6.955 1.00 18.58 C +ATOM 552 N PRO A 70 17.687 41.741 -8.418 1.00 20.50 N +ATOM 553 CA PRO A 70 16.953 42.824 -7.733 1.00 21.73 C +ATOM 554 C PRO A 70 16.955 42.520 -6.242 1.00 22.11 C +ATOM 555 O PRO A 70 16.739 41.356 -5.886 1.00 27.13 O +ATOM 556 CB PRO A 70 15.557 42.749 -8.333 1.00 23.50 C +ATOM 557 CG PRO A 70 15.759 42.092 -9.671 1.00 24.66 C +ATOM 558 CD PRO A 70 16.887 41.095 -9.463 1.00 21.80 C +ATOM 559 N GLY A 71 17.163 43.493 -5.401 1.00 21.67 N +ATOM 560 CA GLY A 71 17.135 43.383 -3.947 1.00 24.03 C +ATOM 561 C GLY A 71 18.328 42.710 -3.287 1.00 26.98 C +ATOM 562 O GLY A 71 18.257 42.257 -2.126 1.00 32.77 O +ATOM 563 N SER A 72 19.418 42.627 -4.018 1.00 26.40 N +ATOM 564 CA SER A 72 20.665 41.976 -3.588 1.00 26.94 C +ATOM 565 C SER A 72 21.139 42.582 -2.276 1.00 24.66 C +ATOM 566 O SER A 72 21.055 43.819 -2.125 1.00 29.91 O +ATOM 567 CB SER A 72 21.659 42.002 -4.737 1.00 25.16 C +ATOM 568 OG SER A 72 23.015 41.835 -4.343 1.00 32.21 O +ATOM 569 N ARG A 73 21.646 41.775 -1.369 1.00 22.51 N +ATOM 570 CA ARG A 73 22.254 42.196 -0.113 1.00 22.60 C +ATOM 571 C ARG A 73 23.774 42.058 0.029 1.00 22.33 C +ATOM 572 O ARG A 73 24.425 42.749 0.849 1.00 27.92 O +ATOM 573 CB ARG A 73 21.615 41.555 1.127 1.00 20.14 C +ATOM 574 CG ARG A 73 20.187 41.983 1.439 1.00 22.29 C +ATOM 575 CD ARG A 73 20.209 43.299 2.123 1.00 26.95 C +ATOM 576 NE ARG A 73 18.928 43.771 2.617 1.00 33.74 N +ATOM 577 CZ ARG A 73 17.980 44.302 1.823 1.00 33.76 C +ATOM 578 NH1 ARG A 73 17.841 43.934 0.544 1.00 35.78 N +ATOM 579 NH2 ARG A 73 17.571 45.545 2.146 1.00 33.83 N +ATOM 580 N ASN A 74 24.346 41.143 -0.705 1.00 17.74 N +ATOM 581 CA ASN A 74 25.780 40.833 -0.695 1.00 18.87 C +ATOM 582 C ASN A 74 26.315 40.718 0.731 1.00 16.22 C +ATOM 583 O ASN A 74 27.255 41.471 1.060 1.00 20.87 O +ATOM 584 CB ASN A 74 26.565 41.786 -1.589 1.00 19.51 C +ATOM 585 CG ASN A 74 27.982 41.328 -1.909 1.00 16.31 C +ATOM 586 OD1 ASN A 74 28.318 40.169 -1.652 1.00 18.61 O +ATOM 587 ND2 ASN A 74 28.838 42.192 -2.436 1.00 19.22 N +ATOM 588 N LEU A 75 25.723 39.860 1.544 1.00 15.25 N +ATOM 589 CA LEU A 75 26.153 39.690 2.930 1.00 14.82 C +ATOM 590 C LEU A 75 27.518 39.011 3.085 1.00 16.78 C +ATOM 591 O LEU A 75 28.167 39.197 4.141 1.00 22.00 O +ATOM 592 CB LEU A 75 25.009 39.055 3.733 1.00 16.64 C +ATOM 593 CG LEU A 75 23.815 39.998 3.979 1.00 17.08 C +ATOM 594 CD1 LEU A 75 22.574 39.193 4.336 1.00 25.82 C +ATOM 595 CD2 LEU A 75 24.156 40.969 5.110 1.00 20.95 C +ATOM 596 N CYS A 76 27.973 38.312 2.061 1.00 17.66 N +ATOM 597 CA CYS A 76 29.299 37.680 2.111 1.00 16.46 C +ATOM 598 C CYS A 76 30.390 38.598 1.589 1.00 15.66 C +ATOM 599 O CYS A 76 31.573 38.229 1.568 1.00 17.59 O +ATOM 600 CB CYS A 76 29.396 36.303 1.477 1.00 17.61 C +ATOM 601 SG CYS A 76 28.595 34.961 2.361 1.00 18.07 S +ATOM 602 N ASN A 77 29.964 39.681 0.971 1.00 18.55 N +ATOM 603 CA ASN A 77 30.827 40.725 0.395 1.00 19.18 C +ATOM 604 C ASN A 77 31.711 40.163 -0.702 1.00 16.58 C +ATOM 605 O ASN A 77 32.947 40.331 -0.689 1.00 21.61 O +ATOM 606 CB ASN A 77 31.589 41.488 1.483 1.00 17.72 C +ATOM 607 CG ASN A 77 32.126 42.812 0.957 1.00 20.20 C +ATOM 608 OD1 ASN A 77 31.351 43.589 0.396 1.00 28.77 O +ATOM 609 ND2 ASN A 77 33.430 43.012 1.047 1.00 27.05 N +ATOM 610 N ILE A 78 31.149 39.408 -1.616 1.00 18.88 N +ATOM 611 CA ILE A 78 31.904 38.780 -2.713 1.00 20.14 C +ATOM 612 C ILE A 78 31.099 38.850 -4.013 1.00 17.08 C +ATOM 613 O ILE A 78 29.864 38.688 -3.972 1.00 16.28 O +ATOM 614 CB ILE A 78 32.183 37.255 -2.384 1.00 19.93 C +ATOM 615 CG1 ILE A 78 30.882 36.639 -1.851 1.00 21.17 C +ATOM 616 CG2 ILE A 78 33.437 37.003 -1.524 1.00 24.25 C +ATOM 617 CD1 ILE A 78 30.936 35.120 -1.546 1.00 25.54 C +ATOM 618 N PRO A 79 31.828 38.795 -5.108 1.00 16.64 N +ATOM 619 CA PRO A 79 31.195 38.634 -6.421 1.00 19.12 C +ATOM 620 C PRO A 79 30.792 37.146 -6.446 1.00 14.71 C +ATOM 621 O PRO A 79 31.576 36.273 -6.005 1.00 17.48 O +ATOM 622 CB PRO A 79 32.261 38.967 -7.445 1.00 18.74 C +ATOM 623 CG PRO A 79 33.555 39.029 -6.710 1.00 18.97 C +ATOM 624 CD PRO A 79 33.276 39.023 -5.215 1.00 16.79 C +ATOM 625 N CYS A 80 29.629 36.908 -7.033 1.00 13.55 N +ATOM 626 CA CYS A 80 29.167 35.522 -7.236 1.00 14.33 C +ATOM 627 C CYS A 80 30.150 34.716 -8.073 1.00 13.92 C +ATOM 628 O CYS A 80 30.214 33.484 -7.880 1.00 16.74 O +ATOM 629 CB CYS A 80 27.749 35.338 -7.747 1.00 16.10 C +ATOM 630 SG CYS A 80 26.471 36.160 -6.762 1.00 16.97 S +ATOM 631 N SER A 81 30.769 35.294 -9.083 1.00 15.04 N +ATOM 632 CA SER A 81 31.775 34.671 -9.933 1.00 15.64 C +ATOM 633 C SER A 81 32.907 34.027 -9.109 1.00 14.90 C +ATOM 634 O SER A 81 33.338 32.939 -9.561 1.00 21.08 O +ATOM 635 CB SER A 81 32.381 35.643 -10.953 1.00 18.65 C +ATOM 636 OG SER A 81 33.035 36.681 -10.235 1.00 20.86 O +ATOM 637 N ALA A 82 33.226 34.572 -7.950 1.00 15.59 N +ATOM 638 CA ALA A 82 34.272 33.963 -7.107 1.00 18.01 C +ATOM 639 C ALA A 82 33.869 32.604 -6.540 1.00 18.75 C +ATOM 640 O ALA A 82 34.703 31.798 -6.081 1.00 19.60 O +ATOM 641 CB ALA A 82 34.722 34.930 -6.020 1.00 20.54 C +ATOM 642 N LEU A 83 32.571 32.338 -6.519 1.00 15.36 N +ATOM 643 CA LEU A 83 31.973 31.093 -6.042 1.00 18.66 C +ATOM 644 C LEU A 83 32.060 29.962 -7.049 1.00 17.84 C +ATOM 645 O LEU A 83 31.671 28.815 -6.739 1.00 21.50 O +ATOM 646 CB LEU A 83 30.618 31.424 -5.431 1.00 17.11 C +ATOM 647 CG LEU A 83 30.511 32.364 -4.244 1.00 16.65 C +ATOM 648 CD1 LEU A 83 29.040 32.573 -3.857 1.00 18.78 C +ATOM 649 CD2 LEU A 83 31.277 31.872 -3.020 1.00 20.62 C +ATOM 650 N LEU A 84 32.473 30.271 -8.267 1.00 17.31 N +ATOM 651 CA LEU A 84 32.610 29.295 -9.347 1.00 16.38 C +ATOM 652 C LEU A 84 34.047 28.841 -9.570 1.00 19.37 C +ATOM 653 O LEU A 84 34.334 28.243 -10.622 1.00 23.48 O +ATOM 654 CB LEU A 84 31.914 29.793 -10.614 1.00 20.87 C +ATOM 655 CG LEU A 84 30.446 30.183 -10.573 1.00 14.26 C +ATOM 656 CD1 LEU A 84 30.014 30.771 -11.916 1.00 21.15 C +ATOM 657 CD2 LEU A 84 29.597 28.942 -10.329 1.00 18.96 C +ATOM 658 N SER A 85 34.942 29.197 -8.676 1.00 21.00 N +ATOM 659 CA SER A 85 36.340 28.754 -8.727 1.00 20.86 C +ATOM 660 C SER A 85 36.474 27.245 -8.497 1.00 19.65 C +ATOM 661 O SER A 85 35.765 26.640 -7.681 1.00 20.62 O +ATOM 662 CB SER A 85 37.109 29.482 -7.633 1.00 20.91 C +ATOM 663 OG SER A 85 38.484 29.212 -7.834 1.00 26.88 O +ATOM 664 N SER A 86 37.619 26.742 -8.943 1.00 22.57 N +ATOM 665 CA SER A 86 38.008 25.343 -8.700 1.00 20.44 C +ATOM 666 C SER A 86 38.388 25.153 -7.233 1.00 19.98 C +ATOM 667 O SER A 86 38.314 24.055 -6.671 1.00 23.62 O +ATOM 668 CB SER A 86 39.107 24.868 -9.650 1.00 23.76 C +ATOM 669 OG SER A 86 38.401 24.215 -10.691 1.00 30.29 O +ATOM 670 N ASP A 87 38.846 26.244 -6.668 1.00 19.74 N +ATOM 671 CA ASP A 87 39.282 26.393 -5.271 1.00 18.72 C +ATOM 672 C ASP A 87 37.999 26.657 -4.471 1.00 17.93 C +ATOM 673 O ASP A 87 37.490 27.762 -4.712 1.00 20.06 O +ATOM 674 CB ASP A 87 40.221 27.607 -5.212 1.00 21.65 C +ATOM 675 CG ASP A 87 40.762 28.041 -3.869 1.00 23.98 C +ATOM 676 OD1 ASP A 87 40.335 27.702 -2.742 1.00 26.26 O +ATOM 677 OD2 ASP A 87 41.785 28.802 -3.933 1.00 32.04 O +ATOM 678 N ILE A 88 37.732 25.850 -3.461 1.00 15.96 N +ATOM 679 CA ILE A 88 36.515 26.089 -2.658 1.00 16.22 C +ATOM 680 C ILE A 88 36.582 27.142 -1.563 1.00 14.43 C +ATOM 681 O ILE A 88 35.600 27.315 -0.801 1.00 16.28 O +ATOM 682 CB ILE A 88 35.993 24.736 -2.046 1.00 16.45 C +ATOM 683 CG1 ILE A 88 36.920 24.200 -0.934 1.00 15.71 C +ATOM 684 CG2 ILE A 88 35.587 23.743 -3.163 1.00 19.87 C +ATOM 685 CD1 ILE A 88 36.363 23.226 0.137 1.00 17.47 C +ATOM 686 N THR A 89 37.742 27.786 -1.369 1.00 14.21 N +ATOM 687 CA THR A 89 37.913 28.772 -0.306 1.00 16.87 C +ATOM 688 C THR A 89 36.736 29.761 -0.161 1.00 11.06 C +ATOM 689 O THR A 89 36.341 29.983 1.000 1.00 13.83 O +ATOM 690 CB THR A 89 39.267 29.591 -0.423 1.00 18.61 C +ATOM 691 OG1 THR A 89 40.339 28.592 -0.514 1.00 20.24 O +ATOM 692 CG2 THR A 89 39.419 30.553 0.766 1.00 17.79 C +ATOM 693 N ALA A 90 36.507 30.482 -1.242 1.00 17.37 N +ATOM 694 CA ALA A 90 35.479 31.555 -1.244 1.00 16.63 C +ATOM 695 C ALA A 90 34.125 31.066 -0.735 1.00 14.09 C +ATOM 696 O ALA A 90 33.366 31.671 0.065 1.00 15.68 O +ATOM 697 CB ALA A 90 35.366 32.212 -2.617 1.00 17.13 C +ATOM 698 N SER A 91 33.746 29.919 -1.296 1.00 13.62 N +ATOM 699 CA SER A 91 32.494 29.220 -1.024 1.00 11.35 C +ATOM 700 C SER A 91 32.429 28.817 0.467 1.00 11.70 C +ATOM 701 O SER A 91 31.407 29.057 1.110 1.00 14.31 O +ATOM 702 CB SER A 91 32.282 28.035 -1.917 1.00 13.48 C +ATOM 703 OG SER A 91 32.020 28.335 -3.260 1.00 14.66 O +ATOM 704 N VAL A 92 33.502 28.211 0.953 1.00 13.17 N +ATOM 705 CA VAL A 92 33.595 27.846 2.381 1.00 13.44 C +ATOM 706 C VAL A 92 33.477 29.105 3.261 1.00 12.00 C +ATOM 707 O VAL A 92 32.716 29.020 4.244 1.00 13.83 O +ATOM 708 CB VAL A 92 34.890 27.038 2.650 1.00 11.69 C +ATOM 709 CG1 VAL A 92 35.125 26.987 4.151 1.00 16.05 C +ATOM 710 CG2 VAL A 92 34.776 25.672 2.013 1.00 15.64 C +ATOM 711 N ASN A 93 34.199 30.163 2.912 1.00 15.12 N +ATOM 712 CA ASN A 93 34.160 31.413 3.685 1.00 15.10 C +ATOM 713 C ASN A 93 32.747 32.034 3.803 1.00 9.80 C +ATOM 714 O ASN A 93 32.361 32.393 4.908 1.00 16.51 O +ATOM 715 CB ASN A 93 35.168 32.472 3.247 1.00 16.33 C +ATOM 716 CG ASN A 93 36.582 32.083 3.642 1.00 19.02 C +ATOM 717 OD1 ASN A 93 37.546 32.671 3.120 1.00 29.57 O +ATOM 718 ND2 ASN A 93 36.710 31.188 4.631 1.00 24.29 N +ATOM 719 N CYS A 94 32.096 31.996 2.670 1.00 15.72 N +ATOM 720 CA CYS A 94 30.695 32.449 2.633 1.00 13.58 C +ATOM 721 C CYS A 94 29.778 31.527 3.424 1.00 13.05 C +ATOM 722 O CYS A 94 28.973 32.025 4.236 1.00 16.42 O +ATOM 723 CB CYS A 94 30.291 32.704 1.185 1.00 12.05 C +ATOM 724 SG CYS A 94 28.644 33.431 1.046 1.00 15.81 S +ATOM 725 N ALA A 95 29.945 30.225 3.263 1.00 13.56 N +ATOM 726 CA ALA A 95 29.134 29.227 3.969 1.00 15.63 C +ATOM 727 C ALA A 95 29.236 29.330 5.491 1.00 10.80 C +ATOM 728 O ALA A 95 28.222 29.180 6.179 1.00 12.93 O +ATOM 729 CB ALA A 95 29.495 27.794 3.612 1.00 14.09 C +ATOM 730 N LYS A 96 30.424 29.628 5.987 1.00 11.19 N +ATOM 731 CA LYS A 96 30.627 29.912 7.419 1.00 13.27 C +ATOM 732 C LYS A 96 29.802 31.115 7.906 1.00 13.38 C +ATOM 733 O LYS A 96 29.296 31.011 9.027 1.00 15.75 O +ATOM 734 CB LYS A 96 32.100 30.112 7.775 1.00 12.67 C +ATOM 735 CG LYS A 96 32.874 28.792 7.697 1.00 11.93 C +ATOM 736 CD LYS A 96 34.358 29.071 7.879 1.00 15.55 C +ATOM 737 CE LYS A 96 35.205 27.816 7.938 1.00 18.03 C +ATOM 738 NZ LYS A 96 36.610 28.242 8.169 1.00 20.72 N +ATOM 739 N LYS A 97 29.660 32.101 7.049 1.00 12.90 N +ATOM 740 CA LYS A 97 28.811 33.263 7.379 1.00 16.43 C +ATOM 741 C LYS A 97 27.333 32.905 7.386 1.00 18.88 C +ATOM 742 O LYS A 97 26.570 33.318 8.272 1.00 19.20 O +ATOM 743 CB LYS A 97 29.087 34.456 6.470 1.00 18.97 C +ATOM 744 CG LYS A 97 30.537 34.927 6.563 1.00 19.81 C +ATOM 745 CD LYS A 97 30.841 36.073 5.610 1.00 22.00 C +ATOM 746 CE LYS A 97 32.340 36.293 5.510 1.00 23.71 C +ATOM 747 NZ LYS A 97 32.569 37.524 4.708 1.00 29.75 N +ATOM 748 N ILE A 98 26.897 32.127 6.416 1.00 15.72 N +ATOM 749 CA ILE A 98 25.520 31.693 6.266 1.00 16.36 C +ATOM 750 C ILE A 98 25.030 30.871 7.453 1.00 16.70 C +ATOM 751 O ILE A 98 24.059 31.254 8.126 1.00 18.80 O +ATOM 752 CB ILE A 98 25.307 30.997 4.896 1.00 15.14 C +ATOM 753 CG1 ILE A 98 25.643 31.910 3.702 1.00 13.63 C +ATOM 754 CG2 ILE A 98 23.887 30.386 4.817 1.00 15.62 C +ATOM 755 CD1 ILE A 98 25.620 31.204 2.321 1.00 17.82 C +ATOM 756 N VAL A 99 25.875 29.966 7.915 1.00 16.73 N +ATOM 757 CA VAL A 99 25.488 29.009 8.955 1.00 18.71 C +ATOM 758 C VAL A 99 25.431 29.697 10.316 1.00 20.36 C +ATOM 759 O VAL A 99 24.737 29.212 11.233 1.00 25.30 O +ATOM 760 CB VAL A 99 26.398 27.774 8.859 1.00 16.94 C +ATOM 761 CG1 VAL A 99 27.811 28.138 9.279 1.00 19.19 C +ATOM 762 CG2 VAL A 99 25.834 26.594 9.632 1.00 18.97 C +ATOM 763 N SER A 100 26.205 30.752 10.409 1.00 17.04 N +ATOM 764 CA SER A 100 26.297 31.529 11.650 1.00 23.81 C +ATOM 765 C SER A 100 25.124 32.495 11.765 1.00 24.03 C +ATOM 766 O SER A 100 24.995 33.131 12.820 1.00 28.66 O +ATOM 767 CB SER A 100 27.647 32.194 11.723 1.00 19.71 C +ATOM 768 OG SER A 100 28.714 31.264 11.818 1.00 25.04 O +ATOM 769 N ASP A 101 24.307 32.599 10.750 1.00 25.78 N +ATOM 770 CA ASP A 101 23.162 33.495 10.650 1.00 26.98 C +ATOM 771 C ASP A 101 21.924 33.183 11.481 1.00 28.34 C +ATOM 772 O ASP A 101 21.132 34.143 11.678 1.00 31.88 O +ATOM 773 CB ASP A 101 22.806 33.854 9.207 1.00 27.75 C +ATOM 774 CG ASP A 101 22.426 35.320 9.009 1.00 30.86 C +ATOM 775 OD1 ASP A 101 23.248 36.223 9.266 1.00 34.67 O +ATOM 776 OD2 ASP A 101 21.276 35.519 8.551 1.00 32.70 O +ATOM 777 N GLY A 102 21.723 31.942 11.887 1.00 28.87 N +ATOM 778 CA GLY A 102 20.622 31.656 12.823 1.00 30.67 C +ATOM 779 C GLY A 102 19.812 30.413 12.505 1.00 27.92 C +ATOM 780 O GLY A 102 19.195 29.898 13.458 1.00 30.42 O +ATOM 781 N ASN A 103 19.805 30.005 11.244 1.00 29.26 N +ATOM 782 CA ASN A 103 19.076 28.799 10.848 1.00 25.22 C +ATOM 783 C ASN A 103 19.990 27.600 10.597 1.00 22.06 C +ATOM 784 O ASN A 103 19.472 26.579 10.117 1.00 24.23 O +ATOM 785 CB ASN A 103 17.976 29.046 9.824 1.00 24.87 C +ATOM 786 CG ASN A 103 16.708 28.245 10.063 1.00 27.08 C +ATOM 787 OD1 ASN A 103 16.513 27.577 11.098 1.00 30.30 O +ATOM 788 ND2 ASN A 103 15.672 28.428 9.240 1.00 30.15 N +ATOM 789 N GLY A 104 21.240 27.711 10.997 1.00 23.20 N +ATOM 790 CA GLY A 104 22.177 26.567 10.860 1.00 19.51 C +ATOM 791 C GLY A 104 22.173 26.142 9.388 1.00 15.58 C +ATOM 792 O GLY A 104 22.151 27.040 8.541 1.00 22.50 O +ATOM 793 N MET A 105 22.185 24.847 9.115 1.00 17.51 N +ATOM 794 CA MET A 105 22.278 24.370 7.724 1.00 16.07 C +ATOM 795 C MET A 105 20.915 24.309 7.063 1.00 13.35 C +ATOM 796 O MET A 105 20.902 23.921 5.871 1.00 15.50 O +ATOM 797 CB MET A 105 23.036 23.048 7.632 1.00 19.32 C +ATOM 798 CG MET A 105 24.519 23.221 7.871 1.00 17.10 C +ATOM 799 SD MET A 105 25.379 21.660 7.491 1.00 20.27 S +ATOM 800 CE MET A 105 25.369 21.706 5.703 1.00 20.03 C +ATOM 801 N ASN A 106 19.896 24.839 7.735 1.00 14.64 N +ATOM 802 CA ASN A 106 18.557 24.898 7.103 1.00 18.58 C +ATOM 803 C ASN A 106 18.566 25.831 5.892 1.00 18.20 C +ATOM 804 O ASN A 106 17.678 25.748 5.021 1.00 22.14 O +ATOM 805 CB ASN A 106 17.420 25.150 8.084 1.00 19.18 C +ATOM 806 CG ASN A 106 17.207 23.938 8.967 1.00 19.21 C +ATOM 807 OD1 ASN A 106 16.836 22.867 8.443 1.00 24.65 O +ATOM 808 ND2 ASN A 106 17.542 24.047 10.255 1.00 25.28 N +ATOM 809 N ALA A 107 19.617 26.647 5.800 1.00 18.54 N +ATOM 810 CA ALA A 107 19.824 27.514 4.634 1.00 18.74 C +ATOM 811 C ALA A 107 20.007 26.744 3.329 1.00 16.80 C +ATOM 812 O ALA A 107 19.734 27.292 2.260 1.00 20.63 O +ATOM 813 CB ALA A 107 21.060 28.374 4.877 1.00 19.47 C +ATOM 814 N TRP A 108 20.371 25.465 3.434 1.00 16.46 N +ATOM 815 CA TRP A 108 20.532 24.624 2.241 1.00 14.68 C +ATOM 816 C TRP A 108 19.317 23.688 2.110 1.00 17.55 C +ATOM 817 O TRP A 108 19.240 22.816 2.993 1.00 20.05 O +ATOM 818 CB TRP A 108 21.840 23.826 2.338 1.00 16.18 C +ATOM 819 CG TRP A 108 23.000 24.736 2.026 1.00 15.50 C +ATOM 820 CD1 TRP A 108 23.360 25.234 0.803 1.00 15.45 C +ATOM 821 CD2 TRP A 108 23.798 25.437 2.991 1.00 15.57 C +ATOM 822 NE1 TRP A 108 24.414 26.102 0.952 1.00 17.40 N +ATOM 823 CE2 TRP A 108 24.711 26.237 2.272 1.00 15.78 C +ATOM 824 CE3 TRP A 108 23.833 25.426 4.379 1.00 12.79 C +ATOM 825 CZ2 TRP A 108 25.682 26.985 2.917 1.00 15.77 C +ATOM 826 CZ3 TRP A 108 24.773 26.200 5.033 1.00 16.28 C +ATOM 827 CH2 TRP A 108 25.691 26.960 4.298 1.00 16.65 C +ATOM 828 N VAL A 109 18.487 23.925 1.101 1.00 15.35 N +ATOM 829 CA VAL A 109 17.265 23.096 1.025 1.00 19.96 C +ATOM 830 C VAL A 109 17.573 21.611 0.884 1.00 17.16 C +ATOM 831 O VAL A 109 16.923 20.811 1.587 1.00 20.77 O +ATOM 832 CB VAL A 109 16.146 23.660 0.145 1.00 21.94 C +ATOM 833 CG1 VAL A 109 16.607 23.905 -1.285 1.00 27.84 C +ATOM 834 CG2 VAL A 109 14.901 22.783 0.136 1.00 21.22 C +ATOM 835 N ALA A 110 18.562 21.308 0.075 1.00 20.97 N +ATOM 836 CA ALA A 110 18.972 19.935 -0.237 1.00 18.78 C +ATOM 837 C ALA A 110 19.502 19.244 1.006 1.00 18.30 C +ATOM 838 O ALA A 110 19.197 18.046 1.174 1.00 18.47 O +ATOM 839 CB ALA A 110 19.857 19.777 -1.455 1.00 20.83 C +ATOM 840 N TRP A 111 20.121 19.983 1.892 1.00 16.62 N +ATOM 841 CA TRP A 111 20.551 19.500 3.202 1.00 15.74 C +ATOM 842 C TRP A 111 19.343 19.085 4.046 1.00 19.12 C +ATOM 843 O TRP A 111 19.284 17.986 4.643 1.00 16.20 O +ATOM 844 CB TRP A 111 21.486 20.451 3.925 1.00 14.63 C +ATOM 845 CG TRP A 111 21.858 19.904 5.252 1.00 14.87 C +ATOM 846 CD1 TRP A 111 22.856 18.975 5.486 1.00 18.11 C +ATOM 847 CD2 TRP A 111 21.199 20.093 6.504 1.00 16.63 C +ATOM 848 NE1 TRP A 111 22.848 18.592 6.808 1.00 17.16 N +ATOM 849 CE2 TRP A 111 21.798 19.221 7.435 1.00 16.77 C +ATOM 850 CE3 TRP A 111 20.182 20.959 6.908 1.00 15.16 C +ATOM 851 CZ2 TRP A 111 21.492 19.284 8.784 1.00 17.69 C +ATOM 852 CZ3 TRP A 111 19.818 20.954 8.240 1.00 16.88 C +ATOM 853 CH2 TRP A 111 20.443 20.110 9.162 1.00 19.73 C +ATOM 854 N ARG A 112 18.438 20.038 4.228 1.00 17.47 N +ATOM 855 CA ARG A 112 17.185 19.830 4.955 1.00 19.60 C +ATOM 856 C ARG A 112 16.472 18.593 4.391 1.00 17.68 C +ATOM 857 O ARG A 112 16.000 17.792 5.220 1.00 22.77 O +ATOM 858 CB ARG A 112 16.214 20.990 4.944 1.00 17.57 C +ATOM 859 CG ARG A 112 16.592 22.438 5.091 1.00 25.27 C +ATOM 860 CD ARG A 112 15.368 23.296 5.135 1.00 21.23 C +ATOM 861 NE ARG A 112 14.776 23.555 3.836 1.00 28.06 N +ATOM 862 CZ ARG A 112 14.785 24.695 3.143 1.00 27.89 C +ATOM 863 NH1 ARG A 112 15.596 25.721 3.383 1.00 30.12 N +ATOM 864 NH2 ARG A 112 13.717 25.008 2.398 1.00 30.39 N +ATOM 865 N ASN A 113 16.307 18.521 3.074 1.00 19.43 N +ATOM 866 CA ASN A 113 15.464 17.463 2.491 1.00 20.16 C +ATOM 867 C ASN A 113 16.111 16.083 2.586 1.00 21.26 C +ATOM 868 O ASN A 113 15.454 15.054 2.808 1.00 24.90 O +ATOM 869 CB ASN A 113 14.966 17.779 1.085 1.00 20.43 C +ATOM 870 CG ASN A 113 14.003 18.961 1.018 1.00 16.63 C +ATOM 871 OD1 ASN A 113 13.454 19.344 2.059 1.00 25.68 O +ATOM 872 ND2 ASN A 113 13.840 19.555 -0.159 1.00 22.00 N +ATOM 873 N ARG A 114 17.401 16.041 2.355 1.00 19.72 N +ATOM 874 CA ARG A 114 18.156 14.836 2.042 1.00 21.43 C +ATOM 875 C ARG A 114 19.258 14.440 2.991 1.00 22.71 C +ATOM 876 O ARG A 114 19.505 13.217 3.097 1.00 24.85 O +ATOM 877 CB ARG A 114 18.622 14.910 0.576 1.00 21.05 C +ATOM 878 CG ARG A 114 17.395 14.614 -0.300 1.00 26.59 C +ATOM 879 CD ARG A 114 17.729 14.399 -1.731 1.00 26.92 C +ATOM 880 NE ARG A 114 18.153 15.677 -2.301 1.00 33.46 N +ATOM 881 CZ ARG A 114 17.826 16.080 -3.535 1.00 32.00 C +ATOM 882 NH1 ARG A 114 17.378 15.225 -4.456 1.00 36.02 N +ATOM 883 NH2 ARG A 114 17.735 17.388 -3.796 1.00 36.05 N +ATOM 884 N CYS A 115 19.743 15.372 3.773 1.00 17.56 N +ATOM 885 CA CYS A 115 20.843 15.041 4.708 1.00 15.08 C +ATOM 886 C CYS A 115 20.448 14.933 6.159 1.00 16.64 C +ATOM 887 O CYS A 115 20.972 14.116 6.940 1.00 21.71 O +ATOM 888 CB CYS A 115 21.991 16.018 4.426 1.00 15.21 C +ATOM 889 SG CYS A 115 22.563 16.009 2.739 1.00 19.35 S +ATOM 890 N LYS A 116 19.714 15.918 6.619 1.00 18.76 N +ATOM 891 CA LYS A 116 19.332 16.085 8.025 1.00 19.14 C +ATOM 892 C LYS A 116 18.634 14.821 8.518 1.00 21.91 C +ATOM 893 O LYS A 116 17.819 14.234 7.785 1.00 24.78 O +ATOM 894 CB LYS A 116 18.492 17.363 8.126 1.00 21.01 C +ATOM 895 CG LYS A 116 17.930 17.512 9.547 1.00 21.28 C +ATOM 896 CD LYS A 116 16.745 18.481 9.554 1.00 25.86 C +ATOM 897 CE LYS A 116 16.658 19.147 10.918 1.00 25.58 C +ATOM 898 NZ LYS A 116 15.454 20.010 11.047 1.00 34.69 N +ATOM 899 N GLY A 117 19.152 14.318 9.635 1.00 26.39 N +ATOM 900 CA GLY A 117 18.558 13.126 10.267 1.00 29.06 C +ATOM 901 C GLY A 117 19.018 11.781 9.733 1.00 28.29 C +ATOM 902 O GLY A 117 18.499 10.733 10.164 1.00 31.90 O +ATOM 903 N THR A 118 19.892 11.802 8.740 1.00 26.88 N +ATOM 904 CA THR A 118 20.473 10.578 8.171 1.00 22.31 C +ATOM 905 C THR A 118 21.868 10.375 8.761 1.00 21.43 C +ATOM 906 O THR A 118 22.321 11.119 9.650 1.00 22.31 O +ATOM 907 CB THR A 118 20.440 10.571 6.598 1.00 18.59 C +ATOM 908 OG1 THR A 118 21.560 11.404 6.161 1.00 22.71 O +ATOM 909 CG2 THR A 118 19.095 11.104 6.074 1.00 21.13 C +ATOM 910 N ASP A 119 22.392 9.213 8.431 1.00 21.20 N +ATOM 911 CA ASP A 119 23.768 8.830 8.756 1.00 22.61 C +ATOM 912 C ASP A 119 24.713 9.543 7.779 1.00 20.13 C +ATOM 913 O ASP A 119 25.178 8.950 6.780 1.00 20.57 O +ATOM 914 CB ASP A 119 23.934 7.313 8.738 1.00 21.00 C +ATOM 915 CG ASP A 119 25.347 6.900 9.121 1.00 25.32 C +ATOM 916 OD1 ASP A 119 26.051 7.633 9.830 1.00 27.93 O +ATOM 917 OD2 ASP A 119 25.715 5.746 8.804 1.00 27.31 O +ATOM 918 N VAL A 120 24.988 10.793 8.094 1.00 23.41 N +ATOM 919 CA VAL A 120 25.886 11.637 7.306 1.00 20.10 C +ATOM 920 C VAL A 120 27.342 11.199 7.304 1.00 18.51 C +ATOM 921 O VAL A 120 28.099 11.604 6.406 1.00 19.95 O +ATOM 922 CB VAL A 120 25.721 13.134 7.630 1.00 19.91 C +ATOM 923 CG1 VAL A 120 24.356 13.655 7.183 1.00 23.59 C +ATOM 924 CG2 VAL A 120 26.088 13.478 9.055 1.00 20.79 C +ATOM 925 N GLN A 121 27.701 10.430 8.306 1.00 21.83 N +ATOM 926 CA GLN A 121 29.021 9.783 8.389 1.00 21.12 C +ATOM 927 C GLN A 121 29.317 8.861 7.207 1.00 20.78 C +ATOM 928 O GLN A 121 30.480 8.669 6.820 1.00 19.66 O +ATOM 929 CB GLN A 121 29.088 9.048 9.728 1.00 24.21 C +ATOM 930 CG GLN A 121 30.530 8.965 10.167 1.00 26.13 C +ATOM 931 CD GLN A 121 30.615 8.877 11.674 1.00 26.94 C +ATOM 932 OE1 GLN A 121 31.368 9.632 12.283 1.00 31.43 O +ATOM 933 NE2 GLN A 121 29.884 7.871 12.151 1.00 28.26 N +ATOM 934 N ALA A 122 28.300 8.271 6.576 1.00 17.62 N +ATOM 935 CA ALA A 122 28.390 7.548 5.311 1.00 19.46 C +ATOM 936 C ALA A 122 29.186 8.290 4.227 1.00 17.98 C +ATOM 937 O ALA A 122 30.031 7.710 3.523 1.00 21.35 O +ATOM 938 CB ALA A 122 26.999 7.244 4.783 1.00 18.29 C +ATOM 939 N TRP A 123 29.021 9.616 4.240 1.00 18.07 N +ATOM 940 CA TRP A 123 29.703 10.502 3.283 1.00 16.76 C +ATOM 941 C TRP A 123 31.218 10.581 3.392 1.00 16.76 C +ATOM 942 O TRP A 123 31.905 10.942 2.412 1.00 20.08 O +ATOM 943 CB TRP A 123 29.027 11.872 3.347 1.00 19.49 C +ATOM 944 CG TRP A 123 27.621 11.735 2.850 1.00 17.43 C +ATOM 945 CD1 TRP A 123 26.485 11.608 3.588 1.00 19.42 C +ATOM 946 CD2 TRP A 123 27.241 11.547 1.481 1.00 17.47 C +ATOM 947 NE1 TRP A 123 25.405 11.458 2.774 1.00 18.86 N +ATOM 948 CE2 TRP A 123 25.827 11.391 1.479 1.00 17.28 C +ATOM 949 CE3 TRP A 123 27.947 11.468 0.283 1.00 20.03 C +ATOM 950 CZ2 TRP A 123 25.111 11.184 0.311 1.00 18.33 C +ATOM 951 CZ3 TRP A 123 27.222 11.329 -0.886 1.00 20.85 C +ATOM 952 CH2 TRP A 123 25.835 11.127 -0.869 1.00 20.45 C +ATOM 953 N ILE A 124 31.741 10.269 4.554 1.00 14.19 N +ATOM 954 CA ILE A 124 33.186 10.292 4.801 1.00 16.82 C +ATOM 955 C ILE A 124 33.863 8.955 5.024 1.00 18.45 C +ATOM 956 O ILE A 124 35.100 8.892 5.134 1.00 21.02 O +ATOM 957 CB ILE A 124 33.504 11.403 5.863 1.00 17.69 C +ATOM 958 CG1 ILE A 124 32.956 10.984 7.234 1.00 18.86 C +ATOM 959 CG2 ILE A 124 33.024 12.804 5.387 1.00 21.01 C +ATOM 960 CD1 ILE A 124 33.729 11.437 8.488 1.00 22.81 C +ATOM 961 N ARG A 125 33.080 7.898 5.131 1.00 21.05 N +ATOM 962 CA ARG A 125 33.594 6.534 5.320 1.00 19.12 C +ATOM 963 C ARG A 125 34.311 6.113 4.036 1.00 17.52 C +ATOM 964 O ARG A 125 33.843 6.337 2.906 1.00 23.44 O +ATOM 965 CB ARG A 125 32.476 5.551 5.650 1.00 19.54 C +ATOM 966 CG ARG A 125 32.117 5.596 7.145 1.00 22.40 C +ATOM 967 CD ARG A 125 31.277 4.392 7.482 1.00 24.05 C +ATOM 968 NE ARG A 125 30.282 4.754 8.466 1.00 28.08 N +ATOM 969 CZ ARG A 125 28.984 4.993 8.331 1.00 23.40 C +ATOM 970 NH1 ARG A 125 28.334 4.690 7.207 1.00 23.69 N +ATOM 971 NH2 ARG A 125 28.392 5.549 9.392 1.00 23.77 N +ATOM 972 N GLY A 126 35.497 5.568 4.243 1.00 18.80 N +ATOM 973 CA GLY A 126 36.291 5.058 3.102 1.00 21.28 C +ATOM 974 C GLY A 126 37.334 6.066 2.658 1.00 22.50 C +ATOM 975 O GLY A 126 38.220 5.729 1.855 1.00 23.59 O +ATOM 976 N CYS A 127 37.335 7.221 3.297 1.00 19.05 N +ATOM 977 CA CYS A 127 38.234 8.333 2.961 1.00 19.13 C +ATOM 978 C CYS A 127 39.422 8.382 3.925 1.00 22.50 C +ATOM 979 O CYS A 127 39.206 8.267 5.138 1.00 21.64 O +ATOM 980 CB CYS A 127 37.453 9.628 2.990 1.00 18.75 C +ATOM 981 SG CYS A 127 36.010 9.816 1.936 1.00 19.93 S +ATOM 982 N ARG A 128 40.586 8.695 3.393 1.00 23.60 N +ATOM 983 CA ARG A 128 41.774 8.960 4.217 1.00 28.29 C +ATOM 984 C ARG A 128 41.820 10.438 4.578 1.00 25.64 C +ATOM 985 O ARG A 128 41.976 11.291 3.694 1.00 30.98 O +ATOM 986 CB ARG A 128 43.047 8.304 3.707 1.00 30.82 C +ATOM 987 CG ARG A 128 43.231 6.886 4.280 1.00 34.25 C +ATOM 988 CD ARG A 128 43.833 6.911 5.651 1.00 33.59 C +ATOM 989 NE ARG A 128 45.246 7.263 5.636 1.00 37.63 N +ATOM 990 CZ ARG A 128 45.862 8.258 6.281 1.00 38.37 C +ATOM 991 NH1 ARG A 128 45.241 9.069 7.151 1.00 38.97 N +ATOM 992 NH2 ARG A 128 47.134 8.554 5.973 1.00 40.22 N +ATOM 993 N LEU A 129 41.289 10.715 5.771 1.00 26.05 N +ATOM 994 CA LEU A 129 41.094 12.084 6.273 1.00 26.89 C +ATOM 995 C LEU A 129 42.119 12.382 7.370 1.00 29.58 C +ATOM 996 O LEU A 129 41.730 12.276 8.559 1.00 33.54 O +ATOM 997 CB LEU A 129 39.635 12.335 6.646 1.00 26.31 C +ATOM 998 CG LEU A 129 38.689 12.917 5.620 1.00 23.49 C +ATOM 999 CD1 LEU A 129 39.112 12.657 4.191 1.00 26.43 C +ATOM 1000 CD2 LEU A 129 37.310 12.325 5.886 1.00 25.15 C +ATOM 1001 OXT LEU A 129 43.232 12.675 6.905 1.00 34.20 O +TER 1002 LEU A 129 +HETATM 1003 O HOH A 130 23.434 40.063 -6.661 1.00 19.48 O +HETATM 1004 O HOH A 131 31.994 26.416 -6.047 0.90 22.43 O +HETATM 1005 O HOH A 132 30.250 13.337 9.787 0.98 20.93 O +HETATM 1006 O HOH A 133 22.384 42.331 -8.165 0.90 21.85 O +HETATM 1007 O HOH A 134 29.239 27.621 -3.670 1.00 17.47 O +HETATM 1008 O HOH A 135 29.464 37.761 -10.492 0.98 20.05 O +HETATM 1009 O HOH A 136 20.807 36.305 -11.082 1.00 18.47 O +HETATM 1010 O HOH A 137 41.318 17.849 -1.378 0.98 20.99 O +HETATM 1011 O HOH A 138 34.697 29.056 -4.039 0.89 22.31 O +HETATM 1012 O HOH A 139 26.871 17.298 13.496 1.00 20.31 O +HETATM 1013 O HOH A 140 32.131 11.050 -5.817 0.97 21.39 O +HETATM 1014 O HOH A 141 23.468 40.040 -2.372 0.91 23.40 O +HETATM 1015 O HOH A 142 21.390 45.524 -11.035 0.96 20.63 O +HETATM 1016 O HOH A 143 34.490 26.578 -5.741 0.75 22.11 O +HETATM 1017 O HOH A 144 16.422 34.139 -3.527 0.91 20.71 O +HETATM 1018 O HOH A 145 21.374 29.926 8.946 0.83 24.21 O +HETATM 1019 O HOH A 146 41.048 12.539 -0.011 0.70 22.71 O +HETATM 1020 O HOH A 147 32.794 35.686 2.558 0.78 20.71 O +HETATM 1021 O HOH A 148 49.648 8.964 6.343 0.83 21.93 O +HETATM 1022 O HOH A 149 14.452 34.901 -13.339 0.69 23.89 O +HETATM 1023 O HOH A 150 22.930 10.839 4.044 0.92 22.02 O +HETATM 1024 O HOH A 151 16.012 18.490 -2.200 0.85 24.37 O +HETATM 1025 O HOH A 152 12.130 21.587 3.044 0.78 24.35 O +HETATM 1026 O HOH A 153 15.684 38.922 -5.813 0.76 24.50 O +HETATM 1027 O HOH A 154 10.652 24.228 3.428 0.80 21.12 O +HETATM 1028 O HOH A 155 44.070 17.975 2.852 0.80 21.64 O +HETATM 1029 O HOH A 156 32.029 13.080 -8.110 0.85 20.63 O +HETATM 1030 O HOH A 157 36.425 19.613 15.174 0.56 23.44 O +HETATM 1031 O HOH A 158 37.941 30.505 -3.686 0.79 21.54 O +HETATM 1032 O HOH A 159 30.710 42.741 -6.289 0.72 22.79 O +HETATM 1033 O HOH A 160 23.922 44.367 -7.653 0.62 22.78 O +HETATM 1034 O HOH A 161 33.829 34.252 0.626 0.73 20.81 O +HETATM 1035 O HOH A 162 29.613 40.730 -9.602 0.78 22.12 O +HETATM 1036 O HOH A 163 23.563 7.995 4.406 0.58 22.93 O +HETATM 1037 O HOH A 164 31.511 42.362 -4.183 0.73 22.01 O +HETATM 1038 O HOH A 165 21.882 29.536 -15.013 0.81 22.04 O +HETATM 1039 O HOH A 166 37.763 20.913 9.782 0.86 21.57 O +HETATM 1040 O HOH A 167 42.338 17.481 5.165 0.65 22.17 O +HETATM 1041 O HOH A 168 23.344 39.739 -4.358 0.72 21.56 O +HETATM 1042 O HOH A 169 22.984 29.224 13.124 0.75 22.56 O +HETATM 1043 O HOH A 170 30.778 7.794 -3.514 0.65 21.58 O +HETATM 1044 O HOH A 171 42.965 14.657 4.991 0.63 23.91 O +HETATM 1045 O HOH A 172 36.927 17.948 -13.093 0.62 23.36 O +HETATM 1046 O HOH A 173 35.412 25.852 -11.575 0.58 23.42 O +HETATM 1047 O HOH A 174 37.428 32.540 -5.787 0.62 21.98 O +HETATM 1048 O HOH A 175 37.317 8.592 7.456 0.64 22.92 O +HETATM 1049 O HOH A 176 9.314 36.705 -11.546 0.69 23.77 O +HETATM 1050 O HOH A 177 39.972 23.760 -2.655 0.86 18.96 O +HETATM 1051 O HOH A 178 22.128 30.274 -0.543 0.76 18.78 O +HETATM 1052 O HOH A 179 22.244 15.813 10.000 0.68 19.66 O +HETATM 1053 O HOH A 180 40.729 9.223 0.292 0.64 20.15 O +HETATM 1054 O HOH A 181 12.500 15.267 4.097 0.56 20.12 O +HETATM 1055 O HOH A 182 20.372 28.618 -2.353 0.64 20.17 O +HETATM 1056 O HOH A 183 22.793 15.462 -6.673 0.63 20.60 O +HETATM 1057 O HOH A 184 23.138 31.809 15.121 0.55 20.90 O +HETATM 1058 O HOH A 185 22.671 38.691 8.245 0.48 21.16 O +HETATM 1059 O HOH A 186 33.966 33.112 6.837 0.59 19.45 O +HETATM 1060 O HOH A 187 19.572 25.423 -1.420 0.53 19.94 O +HETATM 1061 O HOH A 188 14.790 15.672 7.259 0.52 21.22 O +HETATM 1062 O HOH A 189 19.112 28.022 -14.647 0.49 19.83 O +HETATM 1063 O HOH A 190 17.302 39.059 -12.453 0.52 20.14 O +HETATM 1064 O HOH A 191 16.198 14.502 5.577 0.46 20.78 O +HETATM 1065 O HOH A 192 17.345 46.346 -7.080 0.50 18.13 O +HETATM 1066 O HOH A 193 14.992 31.300 -4.242 0.46 17.90 O +HETATM 1067 O HOH A 194 28.196 44.775 -3.148 0.44 18.15 O +HETATM 1068 O HOH A 195 29.479 13.863 -9.107 0.44 18.30 O +HETATM 1069 O HOH A 196 23.613 44.811 2.608 0.45 17.66 O +HETATM 1070 O HOH A 197 40.572 22.184 -6.358 0.42 18.06 O +HETATM 1071 O HOH A 198 12.475 31.860 -6.226 0.47 17.85 O +HETATM 1072 O HOH A 199 16.684 13.594 -5.832 0.31 18.51 O +HETATM 1073 O HOH A 200 27.534 38.059 -12.862 0.48 18.19 O +HETATM 1074 O HOH A 201 25.892 35.973 11.563 0.46 18.15 O +HETATM 1075 O HOH A 202 24.790 25.182 16.063 0.46 17.64 O +HETATM 1076 O HOH A 203 12.580 21.214 5.006 0.51 17.97 O +HETATM 1077 O HOH A 204 19.687 23.750 -4.851 0.37 18.08 O +HETATM 1078 O HOH A 205 27.098 35.956 -12.358 0.39 18.71 O +HETATM 1079 O HOH A 206 37.255 9.634 10.002 0.46 18.39 O +HETATM 1080 O HOH A 207 43.755 23.843 8.038 0.38 17.96 O +CONECT 48 981 +CONECT 238 889 +CONECT 513 630 +CONECT 601 724 +CONECT 630 513 +CONECT 724 601 +CONECT 889 238 +CONECT 981 48 +MASTER 290 0 0 8 2 0 0 6 1079 1 8 10 +END