diff --git a/.github/workflows/lint.yml b/.github/workflows/lint.yml deleted file mode 100644 index 50de1f8..0000000 --- a/.github/workflows/lint.yml +++ /dev/null @@ -1,19 +0,0 @@ -name: linting - -on: push - -permissions: read-all - -jobs: - linting: - runs-on: ubuntu-latest - - steps: - - name: Checkout - uses: actions/checkout@v3 - - - name: Install dependencies - run: go mod download - - - name: Golangci-lint - uses: golangci/golangci-lint-action@v6.1.1 diff --git a/dataset/dataset.go b/dataset/dataset.go index ea32f9b..beb7301 100644 --- a/dataset/dataset.go +++ b/dataset/dataset.go @@ -30,6 +30,7 @@ type Target struct { Restraints []string Toppar []string MiscPDB []string + Shape []string } // Validate validates the Target checking if @@ -37,7 +38,6 @@ type Target struct { // - Files exist // - Files are PDB files func (t *Target) Validate() error { - if t.ID == "" { return errors.New("Target ID not defined") } @@ -67,14 +67,12 @@ func (t *Target) Validate() error { } return nil - } // SetupHaddock24Scenario method prepares the scenario // - Creates the scenario directory // - Creates the run.params file func (t *Target) SetupHaddock24Scenario(wd string, hdir string, s input.Scenario) (runner.Job, error) { - sPath := filepath.Join(wd, t.ID, "scenario-"+s.Name) glog.Info("Preparing : " + s.Name) _ = os.MkdirAll(sPath, 0755) @@ -125,12 +123,10 @@ func (t *Target) SetupHaddock24Scenario(wd string, hdir string, s input.Scenario } return j, nil - } // WriteRunParamStub writes the run.param file func (t *Target) WriteRunParamStub(projectDir string, haddockDir string) (string, error) { - var runParamString string nMol := 1 @@ -181,14 +177,12 @@ func (t *Target) WriteRunParamStub(projectDir string, haddockDir string) (string } return runParamF, nil - } // SetupHaddock3Scenario method prepares the scenario for HADDOCK3 // - Creates the scenario directory // - Creates the `run.toml` file func (t *Target) SetupHaddock3Scenario(wd string, s input.Scenario) (runner.Job, error) { - glog.Info("Preparing : " + s.Name) sPath := filepath.Join(wd, t.ID, "scenario-"+s.Name) dataPath := filepath.Join(wd, t.ID, "data") @@ -218,12 +212,10 @@ func (t *Target) SetupHaddock3Scenario(wd string, s input.Scenario) (runner.Job, } return j, nil - } // WriteRunToml writes the run.toml file func (t *Target) WriteRunToml(projectDir string, general map[string]interface{}, mod input.ModuleParams) (string, error) { - runTomlString := "" for k, v := range general { switch v := v.(type) { @@ -242,7 +234,6 @@ func (t *Target) WriteRunToml(projectDir string, general map[string]interface{}, case []float64: runTomlString += k + " = [" + strings.Join(utils.FloatSliceToStringSlice(v), ",") + "]\n" } - } runTomlString += "run_dir = \"run1\"\n" @@ -253,6 +244,9 @@ func (t *Target) WriteRunToml(projectDir string, general map[string]interface{}, for _, l := range t.Ligand { runTomlString += " \"../data/" + filepath.Base(l) + "\",\n" } + for _, l := range t.Shape { + runTomlString += " \"../data/" + filepath.Base(l) + "\",\n" + } runTomlString += "]\n\n" fnameArray := [][]string{ @@ -291,7 +285,6 @@ func (t *Target) WriteRunToml(projectDir string, general map[string]interface{}, } runTomlString += "[" + m + "]\n" for k, v := range field.Interface().(map[string]interface{}) { - // Find the file to be used as fname if strings.Contains(k, "_fname") { pattern := regexp.MustCompile(v.(string)) @@ -340,21 +333,16 @@ func (t *Target) WriteRunToml(projectDir string, general map[string]interface{}, } return runTomlF, nil - } // LoadDataset loads a dataset from a list file -func LoadDataset(projectDir string, pdbList string, rsuf string, lsuf string) ([]Target, error) { - +func LoadDataset(projectDir string, pdbList string, rsuf string, lsuf string, ssuf string) ([]Target, error) { var rootRegex *regexp.Regexp - if lsuf == "" { - rootRegex = regexp.MustCompile(`(.*)(?:` + rsuf + `)`) - } else { - rootRegex = regexp.MustCompile(`(.*)(?:` + rsuf + `|` + lsuf + `)`) - } + rootRegex = utils.CreateRootRegex(rsuf, lsuf, ssuf) recRegex := regexp.MustCompile(`(.*)` + rsuf) ligRegex := regexp.MustCompile(`(.*)` + lsuf) + shapeRegex := regexp.MustCompile(`(.*)` + ssuf) _ = os.MkdirAll(projectDir, 0755) file, err := os.Open(pdbList) @@ -374,12 +362,13 @@ func LoadDataset(projectDir string, pdbList string, rsuf string, lsuf string) ([ continue } - var receptor, ligand, root string + var receptor, ligand, root, shape string fullPath := line basePath := filepath.Base(fullPath) // Find root and receptor/ligand names match := rootRegex.FindStringSubmatch(basePath) if len(match) == 0 { + glog.Info(fullPath) // Neither receptor nor ligand, add to a list of PDBs pdbArr = append(pdbArr, fullPath) continue @@ -398,6 +387,11 @@ func LoadDataset(projectDir string, pdbList string, rsuf string, lsuf string) ([ ligand = fullPath } + ShapeMatch := shapeRegex.MatchString(basePath) + if ShapeMatch { + shape = fullPath + } + if entry, ok := m[root]; !ok { // create new target @@ -422,6 +416,9 @@ func LoadDataset(projectDir string, pdbList string, rsuf string, lsuf string) ([ if ligand != "" { entry.Ligand = append(entry.Ligand, ligand) } + if shape != "" { + entry.Shape = append(entry.Shape, shape) + } m[root] = entry } } @@ -485,12 +482,10 @@ func LoadDataset(projectDir string, pdbList string, rsuf string, lsuf string) ([ } return arr, nil - } // CreateDatasetDir creates the dataset folder func CreateDatasetDir(p string) error { - if _, err := os.Stat(p); os.IsNotExist(err) { _ = os.Mkdir(p, 0755) } else { @@ -498,7 +493,6 @@ func CreateDatasetDir(p string) error { } return nil - } // OrganizeDataset creates the folder structure @@ -507,7 +501,6 @@ func CreateDatasetDir(p string) error { // - Update the paths in the Target struct // - Copy the restraints and toppars to the data folder func OrganizeDataset(bmPath string, bm []Target) ([]Target, error) { - var tArr []Target for _, t := range bm { @@ -543,9 +536,14 @@ func OrganizeDataset(bmPath string, bm []Target) ([]Target, error) { newT.Toppar = append(newT.Toppar, tdest) } + for _, shape := range t.Shape { + sdest := filepath.Join(bmPath, t.ID, "data", filepath.Base(shape)) + newT.Shape = append(newT.Shape, sdest) + } + // Copy to the data folder dataDir := filepath.Join(bmPath, t.ID, "data") - objArr := [][]string{t.Receptor, t.Ligand, t.MiscPDB, t.Restraints, t.Toppar} + objArr := [][]string{t.Receptor, t.Ligand, t.MiscPDB, t.Restraints, t.Toppar, t.Shape} for _, obj := range objArr { err := utils.CopyFileArrTo(obj, dataDir) @@ -580,5 +578,4 @@ func OrganizeDataset(bmPath string, bm []Target) ([]Target, error) { } return tArr, nil - } diff --git a/dataset/dataset_test.go b/dataset/dataset_test.go index f118296..a35b3d3 100644 --- a/dataset/dataset_test.go +++ b/dataset/dataset_test.go @@ -10,7 +10,6 @@ import ( ) func TestWriteRunParamStub(t *testing.T) { - _ = os.Mkdir("1abc", 0755) defer os.RemoveAll("1abc") @@ -113,11 +112,9 @@ func TestWriteRunParamStub(t *testing.T) { if err == nil { t.Error("Expected error, got nil") } - } func TestLoadDataset(t *testing.T) { - var err error fileArr := []string{"structure1_r_u.pdb", "structure1_l_u.pdb"} @@ -166,7 +163,7 @@ func TestLoadDataset(t *testing.T) { // Pass by loading a valid dataset - tArr, errData := LoadDataset(projectDir, "pdb.list", "_r_u", "_l_u") + tArr, errData := LoadDataset(projectDir, "pdb.list", "_r_u", "_l_u", "") if errData != nil { t.Errorf("Failed to load dataset: %s", err.Error()) } @@ -200,7 +197,7 @@ func TestLoadDataset(t *testing.T) { } // Fail by loading a dataset with a wrong file - _, errData = LoadDataset(projectDir, "wrong_file.pdb", "_r_u", "_l_u") + _, errData = LoadDataset(projectDir, "wrong_file.pdb", "_r_u", "_l_u", "") if errData == nil { t.Errorf("Failed to detect wrong dataset file") } @@ -215,11 +212,10 @@ func TestLoadDataset(t *testing.T) { } defer os.Remove("pdb2.list") - _, errData = LoadDataset(projectDir, "pdb2.list", "_r_u", "") + _, errData = LoadDataset(projectDir, "pdb2.list", "_r_u", "", "") if errData != nil { t.Errorf("Failed to detect wrong dataset file") } - } func TestValidateTarget(t *testing.T) { @@ -342,17 +338,14 @@ func TestValidateTarget(t *testing.T) { if err == nil { t.Errorf("Failed to detect wrong target") } - } func TestCreateDatasetDir(t *testing.T) { - // Create a temporary directory // testDir, err := ioutil.TempDir("", "test") defer os.RemoveAll("test") err := CreateDatasetDir("test") - if err != nil { t.Errorf("Failed to create directory: %s", err) } @@ -362,7 +355,6 @@ func TestCreateDatasetDir(t *testing.T) { if err == nil { t.Errorf("Failed to detect existing directory") } - } func TestOrganizeDataset(t *testing.T) { @@ -381,7 +373,9 @@ func TestOrganizeDataset(t *testing.T) { "receptor_list.txt", "ligand_list.txt", "custom.top", - "custom.param"} + "custom.param", + "shape.pdb", + } for _, file := range fileArr { err := os.WriteFile(file, []byte(""), 0644) @@ -407,6 +401,7 @@ func TestOrganizeDataset(t *testing.T) { Restraints: []string{"ambig.tbl", "unambig.tbl"}, Toppar: []string{"custom.top", "custom.param"}, MiscPDB: []string{"ref.pdb"}, + Shape: []string{"shape.pdb"}, } // Pass by organizing data in a valid directory @@ -421,7 +416,9 @@ func TestOrganizeDataset(t *testing.T) { "receptor1.pdb", "receptor2.pdb", "ligand1.pdb", "ligand2.pdb", "ambig.tbl", "unambig.tbl", "custom.top", - "custom.param"} + "custom.param", + "shape.pdb", + } for _, v := range expectedFiles { f := path + "/" + v @@ -510,11 +507,9 @@ func TestOrganizeDataset(t *testing.T) { if err == nil { t.Errorf("Failed to detect wrong directory") } - } func TestSetupHaddock3Scenario(t *testing.T) { - inp := input.Input{} inp.Scenarios = []input.Scenario{ { @@ -591,7 +586,6 @@ func TestSetupHaddock3Scenario(t *testing.T) { if err == nil { t.Errorf("Failed to detect wrong scenario") } - } func TestTarget_SetupHaddock24Scenario(t *testing.T) { @@ -712,6 +706,7 @@ func TestTarget_WriteRunToml(t *testing.T) { Restraints []string Toppar []string MiscPDB []string + Shape []string } type args struct { projectDir string @@ -780,6 +775,48 @@ func TestTarget_WriteRunToml(t *testing.T) { want: "_some-workdir/run.toml", wantErr: false, }, + { + name: "pass-shape", + fields: fields{ + ID: "1abc", + Receptor: []string{"receptor.pdb"}, + Ligand: []string{"ligand.pdb"}, + Restraints: []string{"ambig_ti.tbl", "ambig5_ti.tbl", "other_unambig.tbl", "something.tbl"}, + Toppar: []string{"custom1.top", "custom2.param"}, + MiscPDB: []string{"ref.pdb"}, + Shape: []string{"shape.pdb"}, + }, + args: args{ + projectDir: "_some-workdir", + general: map[string]interface{}{ + "receptor": "receptor.pdb", + "ligand": "ligand.pdb", + "shape": "shape.pdb", + "int": 10, + "float": 3.5, + "bool": true, + "array-string": []string{"a", "b", "c"}, + "array-int": []int{1, 2, 3}, + "array-float": []float64{1.1, 2.2, 3.3}, + }, + mod: input.ModuleParams{ + Order: []string{"topoaa", "rigidbody"}, + Topoaa: map[string]interface{}{ + "some-param": "some-value", + }, + Rigidbody: map[string]interface{}{ + "some-other-param": 10, + "some_fname": "ambig_ti", + "another_fname": "unambig", + "other_fname": "custom1", + "someother_fname": "custom2", + "thereference_fname": "ref", + }, + }, + }, + want: "_some-workdir/run.toml", + wantErr: false, + }, { name: "fail-by-not-being-able-to-create-file", fields: fields{ @@ -810,6 +847,7 @@ func TestTarget_WriteRunToml(t *testing.T) { Restraints: tt.fields.Restraints, Toppar: tt.fields.Toppar, MiscPDB: tt.fields.MiscPDB, + Shape: tt.fields.Shape, } got, err := tr.WriteRunToml(tt.args.projectDir, tt.args.general, tt.args.mod) if (err != nil) != tt.wantErr { diff --git a/docs/src/writing-a-benchmark.yaml-file.md b/docs/src/writing-a-benchmark.yaml-file.md index 6dc3d2f..017d64b 100644 --- a/docs/src/writing-a-benchmark.yaml-file.md +++ b/docs/src/writing-a-benchmark.yaml-file.md @@ -15,6 +15,7 @@ Here you must define the following parameters: - `haddock_dir`: Path to the HADDOCK installation, this is used to validate the parameters of the [`scenarios`](#scenario-section) section - `receptor_suffix`: This pattern will identify what is the receptor file in the the suffix used to identify the receptor files - `ligand_suffix`: This will be used to identify the ligand files +- `shape_suffix`: This will be used to identify the shape files - `input_list`: The path to the input list (see [here](./writing-a-input.list-file.md) for more details) - `work_dir`: The path where the results will be stored diff --git a/example/1A2K/1A2K_hb.tbl b/example/docking/1A2K/1A2K_hb.tbl similarity index 100% rename from example/1A2K/1A2K_hb.tbl rename to example/docking/1A2K/1A2K_hb.tbl diff --git a/example/1A2K/1A2K_l_u.pdb b/example/docking/1A2K/1A2K_l_u.pdb similarity index 100% rename from example/1A2K/1A2K_l_u.pdb rename to example/docking/1A2K/1A2K_l_u.pdb diff --git a/example/1A2K/1A2K_ligand.param b/example/docking/1A2K/1A2K_ligand.param similarity index 100% rename from example/1A2K/1A2K_ligand.param rename to example/docking/1A2K/1A2K_ligand.param diff --git a/example/1A2K/1A2K_ligand.top b/example/docking/1A2K/1A2K_ligand.top similarity index 100% rename from example/1A2K/1A2K_ligand.top rename to example/docking/1A2K/1A2K_ligand.top diff --git a/example/1A2K/1A2K_r_u.pdb b/example/docking/1A2K/1A2K_r_u.pdb similarity index 100% rename from example/1A2K/1A2K_r_u.pdb rename to example/docking/1A2K/1A2K_r_u.pdb diff --git a/example/1A2K/1A2K_ref.pdb b/example/docking/1A2K/1A2K_ref.pdb similarity index 100% rename from example/1A2K/1A2K_ref.pdb rename to example/docking/1A2K/1A2K_ref.pdb diff --git a/example/1A2K/1A2K_ti.tbl b/example/docking/1A2K/1A2K_ti.tbl similarity index 100% rename from example/1A2K/1A2K_ti.tbl rename to example/docking/1A2K/1A2K_ti.tbl diff --git a/example/1A2K/1A2K_unambig.tbl b/example/docking/1A2K/1A2K_unambig.tbl similarity index 100% rename from example/1A2K/1A2K_unambig.tbl rename to example/docking/1A2K/1A2K_unambig.tbl diff --git a/example/1GGR/1GGR_l_u_1.pdb b/example/docking/1GGR/1GGR_l_u_1.pdb similarity index 100% rename from example/1GGR/1GGR_l_u_1.pdb rename to example/docking/1GGR/1GGR_l_u_1.pdb diff --git a/example/1GGR/1GGR_l_u_2.pdb b/example/docking/1GGR/1GGR_l_u_2.pdb similarity index 100% rename from example/1GGR/1GGR_l_u_2.pdb rename to example/docking/1GGR/1GGR_l_u_2.pdb diff --git a/example/1GGR/1GGR_l_u_3.pdb b/example/docking/1GGR/1GGR_l_u_3.pdb similarity index 100% rename from example/1GGR/1GGR_l_u_3.pdb rename to example/docking/1GGR/1GGR_l_u_3.pdb diff --git a/example/1GGR/1GGR_r_u.pdb b/example/docking/1GGR/1GGR_r_u.pdb similarity index 100% rename from example/1GGR/1GGR_r_u.pdb rename to example/docking/1GGR/1GGR_r_u.pdb diff --git a/example/1GGR/1GGR_ti.tbl b/example/docking/1GGR/1GGR_ti.tbl similarity index 100% rename from example/1GGR/1GGR_ti.tbl rename to example/docking/1GGR/1GGR_ti.tbl diff --git a/example/1PPE/1PPE_hb.tbl b/example/docking/1PPE/1PPE_hb.tbl similarity index 100% rename from example/1PPE/1PPE_hb.tbl rename to example/docking/1PPE/1PPE_hb.tbl diff --git a/example/1PPE/1PPE_l_u.pdb b/example/docking/1PPE/1PPE_l_u.pdb similarity index 100% rename from example/1PPE/1PPE_l_u.pdb rename to example/docking/1PPE/1PPE_l_u.pdb diff --git a/example/1PPE/1PPE_r_u.pdb b/example/docking/1PPE/1PPE_r_u.pdb similarity index 100% rename from example/1PPE/1PPE_r_u.pdb rename to example/docking/1PPE/1PPE_r_u.pdb diff --git a/example/1PPE/1PPE_ti.tbl b/example/docking/1PPE/1PPE_ti.tbl similarity index 100% rename from example/1PPE/1PPE_ti.tbl rename to example/docking/1PPE/1PPE_ti.tbl diff --git a/example/1PPE/1PPE_unambig.tbl b/example/docking/1PPE/1PPE_unambig.tbl similarity index 100% rename from example/1PPE/1PPE_unambig.tbl rename to example/docking/1PPE/1PPE_unambig.tbl diff --git a/example/2OOB/2OOB_hb.tbl b/example/docking/2OOB/2OOB_hb.tbl similarity index 100% rename from example/2OOB/2OOB_hb.tbl rename to example/docking/2OOB/2OOB_hb.tbl diff --git a/example/2OOB/2OOB_l_u.pdb b/example/docking/2OOB/2OOB_l_u.pdb similarity index 100% rename from example/2OOB/2OOB_l_u.pdb rename to example/docking/2OOB/2OOB_l_u.pdb diff --git a/example/2OOB/2OOB_r_u.pdb b/example/docking/2OOB/2OOB_r_u.pdb similarity index 100% rename from example/2OOB/2OOB_r_u.pdb rename to example/docking/2OOB/2OOB_r_u.pdb diff --git a/example/2OOB/2OOB_ref.pdb b/example/docking/2OOB/2OOB_ref.pdb similarity index 100% rename from example/2OOB/2OOB_ref.pdb rename to example/docking/2OOB/2OOB_ref.pdb diff --git a/example/2OOB/2OOB_ti.tbl b/example/docking/2OOB/2OOB_ti.tbl similarity index 100% rename from example/2OOB/2OOB_ti.tbl rename to example/docking/2OOB/2OOB_ti.tbl diff --git a/example/docking/input_list.txt b/example/docking/input_list.txt new file mode 100644 index 0000000..071aa03 --- /dev/null +++ b/example/docking/input_list.txt @@ -0,0 +1,31 @@ +# Lines starting with # are comments +# ------------------------------------------------------------ # +# Input list +# ------------------------------------------------------------ # +# 1A2K +example/docking/1A2K/1A2K_r_u.pdb +example/docking/1A2K/1A2K_l_u.pdb +example/docking/1A2K/1A2K_ligand.top +example/docking/1A2K/1A2K_ligand.param +example/docking/1A2K/1A2K_ti.tbl +example/docking/1A2K/1A2K_unambig.tbl +example/docking/1A2K/1A2K_ref.pdb +# 1GGR +example/docking/1GGR/1GGR_r_u.pdb +example/docking/1GGR/1GGR_l_u_1.pdb +example/docking/1GGR/1GGR_l_u_2.pdb +example/docking/1GGR/1GGR_l_u_3.pdb +example/docking/1GGR/1GGR_ti.tbl +# 1PPE +example/docking/1PPE/1PPE_l_u.pdb +example/docking/1PPE/1PPE_r_u.pdb +example/docking/1PPE/1PPE_ti.tbl +example/docking/1PPE/1PPE_hb.tbl +example/docking/1PPE/1PPE_unambig.tbl +# 2OOB +example/docking/2OOB/2OOB_ref.pdb +example/docking/2OOB/2OOB_l_u.pdb +example/docking/2OOB/2OOB_r_u.pdb +example/docking/2OOB/2OOB_ti.tbl +example/docking/2OOB/2OOB_hb.tbl +# ------------------------------------------------------------ # diff --git a/example/example_haddock24.yml b/example/example_haddock24.yml index 39d2569..164f83c 100644 --- a/example/example_haddock24.yml +++ b/example/example_haddock24.yml @@ -4,7 +4,7 @@ general: haddock_dir: /trinity/login/rodrigo/repos/haddock3 receptor_suffix: _r_u ligand_suffix: _l_u - input_list: /trinity/login/rodrigo/repos/haddock-runner/example/input_list.txt + input_list: /trinity/login/rodrigo/repos/haddock-runner/example/docking/input_list.txt work_dir: /trinity/login/rodrigo/repos/haddock-runner/bm-goes-here scenarios: diff --git a/example/example_haddock30.yml b/example/example_haddock30.yml index d0bcfaf..ffce0fc 100644 --- a/example/example_haddock30.yml +++ b/example/example_haddock30.yml @@ -1,11 +1,11 @@ general: - executable: /workspaces/haddock-runner/example/haddock3.sh + executable: /home/rodrigo/repos/haddock-runner/example/haddock3.sh max_concurrent: 4 haddock_dir: /opt/haddock3 receptor_suffix: _r_u ligand_suffix: _l_u - input_list: /workspaces/haddock-runner/example/input_list.txt - work_dir: /workspaces/haddock-runner/bm-goes-here + input_list: /home/rodrigo/repos/haddock-runner/example/docking/input_list.txt + work_dir: /home/rodrigo/repos/haddock-runner/bm-goes-here slurm: # partition: mypartition diff --git a/example/haddock3.sh b/example/haddock3.sh index 2384d88..4069444 100755 --- a/example/haddock3.sh +++ b/example/haddock3.sh @@ -1,9 +1,6 @@ #!/bin/bash #=============================================================================== -# shellcheck source=/dev/null -source /opt/conda/etc/profile.d/conda.sh -conda activate env +"$HOME"/repos/haddock-runner/.venv/bin/haddock3 "$@" -haddock3 "$@" #=============================================================================== diff --git a/example/input_list.txt b/example/input_list.txt deleted file mode 100644 index de4d581..0000000 --- a/example/input_list.txt +++ /dev/null @@ -1,31 +0,0 @@ -# Lines starting with # are comments -# ------------------------------------------------------------ # -# Input list -# ------------------------------------------------------------ # -# 1A2K -example/1A2K/1A2K_r_u.pdb -example/1A2K/1A2K_l_u.pdb -example/1A2K/1A2K_ligand.top -example/1A2K/1A2K_ligand.param -example/1A2K/1A2K_ti.tbl -example/1A2K/1A2K_unambig.tbl -example/1A2K/1A2K_ref.pdb -# 1GGR -example/1GGR/1GGR_r_u.pdb -example/1GGR/1GGR_l_u_1.pdb -example/1GGR/1GGR_l_u_2.pdb -example/1GGR/1GGR_l_u_3.pdb -example/1GGR/1GGR_ti.tbl -# 1PPE -example/1PPE/1PPE_l_u.pdb -example/1PPE/1PPE_r_u.pdb -example/1PPE/1PPE_ti.tbl -example/1PPE/1PPE_hb.tbl -example/1PPE/1PPE_unambig.tbl -# 2OOB -example/2OOB/2OOB_ref.pdb -example/2OOB/2OOB_l_u.pdb -example/2OOB/2OOB_r_u.pdb -example/2OOB/2OOB_ti.tbl -example/2OOB/2OOB_hb.tbl -# ------------------------------------------------------------ # diff --git a/example/shape.yml b/example/shape.yml new file mode 100644 index 0000000..f8f3fa0 --- /dev/null +++ b/example/shape.yml @@ -0,0 +1,29 @@ +general: + executable: /home/rodrigo/repos/haddock-runner/example/haddock3.sh + max_concurrent: 4 + haddock_dir: /home/rodrigo/repos/haddock3 + receptor_suffix: _r_u + ligand_suffix: _l_u + shape_suffix: _shape + input_list: /home/rodrigo/repos/haddock-runner/example/shape/input.txt + work_dir: /home/rodrigo/repos/haddock-runner/bm-goes-here + +scenarios: + - name: shape-docking + parameters: + general: + mode: local + ncores: 1 + + modules: + order: [topoaa, rigidbody] + topoaa: + ligand_param_fname: _ligand.param + ligand_top_fname: _ligand.top + rigidbody: + sampling: 1 + ambig_fname: _ambig.tbl + ligand_param_fname: _ligand.param + ligand_top_fname: _ligand.top + mol_shape_3: true + #----------------------------------------------- diff --git a/example/shape/data/sha_ambig.tbl b/example/shape/data/sha_ambig.tbl new file mode 100644 index 0000000..92c904b --- /dev/null +++ b/example/shape/data/sha_ambig.tbl @@ -0,0 +1,31 @@ +assi (segid S and resid 1) (segid B and not name H*) 1 1 0 +assi (segid S and resid 2) (segid B and not name H*) 1 1 0 +assi (segid S and resid 3) (segid B and not name H*) 1 1 0 +assi (segid S and resid 4) (segid B and not name H*) 1 1 0 +assi (segid S and resid 5) (segid B and not name H*) 1 1 0 +assi (segid S and resid 6) (segid B and not name H*) 1 1 0 +assi (segid S and resid 7) (segid B and not name H*) 1 1 0 +assi (segid S and resid 8) (segid B and not name H*) 1 1 0 +assi (segid S and resid 9) (segid B and not name H*) 1 1 0 +assi (segid S and resid 10) (segid B and not name H*) 1 1 0 +assi (segid S and resid 11) (segid B and not name H*) 1 1 0 +assi (segid S and resid 12) (segid B and not name H*) 1 1 0 +assi (segid S and resid 13) (segid B and not name H*) 1 1 0 +assi (segid S and resid 14) (segid B and not name H*) 1 1 0 +assi (segid S and resid 15) (segid B and not name H*) 1 1 0 +assi (segid S and resid 16) (segid B and not name H*) 1 1 0 +assi (segid S and resid 17) (segid B and not name H*) 1 1 0 +assi (segid S and resid 18) (segid B and not name H*) 1 1 0 +assi (segid S and resid 19) (segid B and not name H*) 1 1 0 +assi (segid S and resid 20) (segid B and not name H*) 1 1 0 +assi (segid S and resid 21) (segid B and not name H*) 1 1 0 +assi (segid S and resid 22) (segid B and not name H*) 1 1 0 +assi (segid S and resid 23) (segid B and not name H*) 1 1 0 +assi (segid S and resid 24) (segid B and not name H*) 1 1 0 +assi (segid S and resid 25) (segid B and not name H*) 1 1 0 +assi (segid S and resid 26) (segid B and not name H*) 1 1 0 +assi (segid S and resid 27) (segid B and not name H*) 1 1 0 +assi (segid S and resid 28) (segid B and not name H*) 1 1 0 +assi (segid S and resid 29) (segid B and not name H*) 1 1 0 +assi (segid S and resid 30) (segid B and not name H*) 1 1 0 +assi (segid S and resid 31) (segid B and not name H*) 1 1 0 diff --git a/example/shape/data/sha_l_u.pdb b/example/shape/data/sha_l_u.pdb new file mode 100644 index 0000000..312de7d --- /dev/null +++ b/example/shape/data/sha_l_u.pdb @@ -0,0 +1,39 @@ +ATOM 1 C1 UNK B 1 -0.543 0.036 1.244 1.00 20.00 B C +ATOM 2 C2 UNK B 1 -1.135 2.221 2.099 1.00 20.00 B C +ATOM 3 C3 UNK B 1 -0.076 0.612 3.561 1.00 20.00 B C +ATOM 4 C4 UNK B 1 -1.093 1.308 1.034 1.00 20.00 B C +ATOM 5 C5 UNK B 1 -0.015 -0.292 2.499 1.00 20.00 B C +ATOM 6 C6 UNK B 1 -0.638 1.869 3.356 1.00 20.00 B C +ATOM 7 C7 UNK B 1 -1.559 1.773 -0.305 1.00 20.00 B C +ATOM 8 C8 UNK B 1 0.564 -1.623 2.753 1.00 20.00 B C +ATOM 9 C9 UNK B 1 -6.113 3.336 -3.226 1.00 20.00 B C +ATOM 10 C10 UNK B 1 2.876 -0.339 -1.114 1.00 20.00 B C +ATOM 11 C11 UNK B 1 2.234 -0.438 -2.509 1.00 20.00 B C +ATOM 12 C12 UNK B 1 2.429 -1.453 -0.160 1.00 20.00 B C +ATOM 13 C13 UNK B 1 0.719 -0.207 -2.441 1.00 20.00 B C +ATOM 14 C14 UNK B 1 -1.553 0.030 -3.597 1.00 20.00 B C +ATOM 15 C15 UNK B 1 2.596 -1.061 1.311 1.00 20.00 B C +ATOM 16 C16 UNK B 1 -0.008 0.039 -3.773 1.00 20.00 B C +ATOM 17 C17 UNK B 1 -2.132 1.100 -2.645 1.00 20.00 B C +ATOM 18 C18 UNK B 1 0.376 -0.999 -4.833 1.00 20.00 B C +ATOM 19 C19 UNK B 1 -7.513 3.547 -8.765 1.00 20.00 B C +ATOM 20 C20 UNK B 1 3.224 -3.258 3.672 1.00 20.00 B C +ATOM 21 C21 UNK B 1 -1.554 3.232 6.564 1.00 20.00 B C +ATOM 22 C22 UNK B 1 -6.435 3.003 -0.788 1.00 20.00 B C +ATOM 23 C23 UNK B 1 -7.978 4.113 -7.433 1.00 20.00 B C +ATOM 24 C24 UNK B 1 -7.460 3.278 -6.259 1.00 20.00 B C +ATOM 25 C25 UNK B 1 -4.303 2.197 -1.849 1.00 20.00 B C +ATOM 26 C26 UNK B 1 2.376 -3.264 2.446 1.00 20.00 B C +ATOM 27 C27 UNK B 1 -7.861 3.856 -4.906 1.00 20.00 B C +ATOM 28 C28 UNK B 1 -0.812 2.235 5.699 1.00 20.00 B C +ATOM 29 C29 UNK B 1 -5.812 2.405 -2.052 1.00 20.00 B C +ATOM 30 C30 UNK B 1 -3.644 1.224 -2.834 1.00 20.00 B C +ATOM 31 N31 UNK B 1 -1.853 0.791 -1.241 1.00 20.00 B N +ATOM 32 N32 UNK B 1 1.809 -1.944 2.191 1.00 20.00 B N +ATOM 33 N33 UNK B 1 -7.348 3.080 -3.802 1.00 20.00 B N +ATOM 34 O34 UNK B 1 -1.633 2.980 -0.524 1.00 20.00 B O +ATOM 35 O35 UNK B 1 -0.099 -2.363 3.481 1.00 20.00 B O +ATOM 36 O36 UNK B 1 -5.345 4.227 -3.585 1.00 20.00 B O +ATOM 37 O37 UNK B 1 -4.230 -0.061 -2.620 1.00 20.00 B O +ATOM 38 O38 UNK B 1 -0.690 2.765 4.380 1.00 20.00 B O +END diff --git a/example/shape/data/sha_ligand.param b/example/shape/data/sha_ligand.param new file mode 100644 index 0000000..7450ce4 --- /dev/null +++ b/example/shape/data/sha_ligand.param @@ -0,0 +1,214 @@ +! Put in this file your ligand parameters if needed +! +! +! This file was generated by PRODRG version 070118.0614 +! PRODRG written/copyrighted by Daan van Aalten +! and Alexander Schuettelkopf +! +! Questions/comments to dava@davapc1.bioch.dundee.ac.uk +! +! When using this software in a publication, cite: +! A. W. Schuettelkopf and D. M. F. van Aalten (2004). +! PRODRG - a tool for high-throughput crystallography +! of protein-ligand complexes. +! Acta Crystallogr. D60, 1355--1363. +! +! +! *** NOTE *** IF YOU USE MORE THAN ONE PRODRG-GENERATED TOPOLOGY IN CNS, +! PLEASE CAREFULLY READ THE FAQ AS THIS MAY CAUSE PROBLEMS +! +! +set echo=off message=on end + +evaluate ($pd_x = 1.0) + +eval ($pd_v=$pd_x* 16000.0) BOND CA19 CA23 $pd_v 1.530 +eval ($pd_v=$pd_x* 16000.0) BOND CA23 CA24 $pd_v 1.530 +eval ($pd_v=$pd_x* 16000.0) BOND CA24 CA27 $pd_v 1.530 +eval ($pd_v=$pd_x* 18000.0) BOND CA27 NA33 $pd_v 1.470 +eval ($pd_v=$pd_x* 17900.0) BOND NA33 HAAC $pd_v 1.000 +eval ($pd_v=$pd_x* 20000.0) BOND NA33 CA9 $pd_v 1.330 +eval ($pd_v=$pd_x* 24000.0) BOND CA9 OA36 $pd_v 1.230 +eval ($pd_v=$pd_x* 16000.0) BOND CA9 CA29 $pd_v 1.530 +eval ($pd_v=$pd_x* 16000.0) BOND CA29 CA22 $pd_v 1.530 +eval ($pd_v=$pd_x* 16000.0) BOND CA29 CA25 $pd_v 1.530 +eval ($pd_v=$pd_x* 16000.0) BOND CA25 CA30 $pd_v 1.530 +eval ($pd_v=$pd_x* 16000.0) BOND CA30 OA37 $pd_v 1.430 +eval ($pd_v=$pd_x* 16000.0) BOND CA30 CA17 $pd_v 1.530 +eval ($pd_v=$pd_x* 15000.0) BOND OA37 HAAA $pd_v 1.000 +eval ($pd_v=$pd_x* 16000.0) BOND CA17 CA14 $pd_v 1.530 +eval ($pd_v=$pd_x* 18000.0) BOND CA17 NA31 $pd_v 1.470 +eval ($pd_v=$pd_x* 16000.0) BOND CA14 CA16 $pd_v 1.530 +eval ($pd_v=$pd_x* 16000.0) BOND CA16 CA18 $pd_v 1.530 +eval ($pd_v=$pd_x* 16000.0) BOND CA16 CA13 $pd_v 1.530 +eval ($pd_v=$pd_x* 16000.0) BOND CA13 CA11 $pd_v 1.530 +eval ($pd_v=$pd_x* 16000.0) BOND CA11 CA10 $pd_v 1.530 +eval ($pd_v=$pd_x* 16000.0) BOND CA10 CA12 $pd_v 1.530 +eval ($pd_v=$pd_x* 16000.0) BOND CA12 CA15 $pd_v 1.530 +eval ($pd_v=$pd_x* 18000.0) BOND CA15 NA32 $pd_v 1.470 +eval ($pd_v=$pd_x* 18000.0) BOND NA32 CA26 $pd_v 1.470 +eval ($pd_v=$pd_x* 20000.0) BOND NA32 CA8 $pd_v 1.330 +eval ($pd_v=$pd_x* 16000.0) BOND CA26 CA20 $pd_v 1.530 +eval ($pd_v=$pd_x* 24000.0) BOND CA8 OA35 $pd_v 1.230 +eval ($pd_v=$pd_x* 16000.0) BOND CA8 CA5 $pd_v 1.530 +eval ($pd_v=$pd_x* 20000.0) BOND CA5 CA1 $pd_v 1.390 +eval ($pd_v=$pd_x* 20000.0) BOND CA5 CA3 $pd_v 1.390 +eval ($pd_v=$pd_x* 20000.0) BOND CA1 CA4 $pd_v 1.390 +eval ($pd_v=$pd_x* 20000.0) BOND CA3 CA6 $pd_v 1.390 +eval ($pd_v=$pd_x* 18000.0) BOND CA6 OA38 $pd_v 1.360 +eval ($pd_v=$pd_x* 20000.0) BOND CA6 CA2 $pd_v 1.390 +eval ($pd_v=$pd_x* 12000.0) BOND OA38 CA28 $pd_v 1.435 +eval ($pd_v=$pd_x* 16000.0) BOND CA28 CA21 $pd_v 1.530 +eval ($pd_v=$pd_x* 20000.0) BOND CA2 CA4 $pd_v 1.390 +eval ($pd_v=$pd_x* 16000.0) BOND CA4 CA7 $pd_v 1.530 +eval ($pd_v=$pd_x* 24000.0) BOND CA7 OA34 $pd_v 1.230 +eval ($pd_v=$pd_x* 20000.0) BOND CA7 NA31 $pd_v 1.330 +eval ($pd_v=$pd_x* 17900.0) BOND NA31 HAAB $pd_v 1.000 + +eval ($pd_v=$pd_x* 880.0) ANGLE CA19 CA23 CA24 $pd_v 111.000 +eval ($pd_v=$pd_x* 880.0) ANGLE CA23 CA24 CA27 $pd_v 111.000 +eval ($pd_v=$pd_x* 880.0) ANGLE CA24 CA27 NA33 $pd_v 109.500 +eval ($pd_v=$pd_x* 720.0) ANGLE CA27 NA33 HAAC $pd_v 115.000 +eval ($pd_v=$pd_x* 960.0) ANGLE CA27 NA33 CA9 $pd_v 122.000 +eval ($pd_v=$pd_x* 560.0) ANGLE HAAC NA33 CA9 $pd_v 123.000 +eval ($pd_v=$pd_x* 960.0) ANGLE NA33 CA9 OA36 $pd_v 124.000 +eval ($pd_v=$pd_x* 960.0) ANGLE NA33 CA9 CA29 $pd_v 115.000 +eval ($pd_v=$pd_x* 960.0) ANGLE OA36 CA9 CA29 $pd_v 121.000 +eval ($pd_v=$pd_x* 880.0) ANGLE CA9 CA29 CA22 $pd_v 109.500 +eval ($pd_v=$pd_x* 880.0) ANGLE CA9 CA29 CA25 $pd_v 109.500 +eval ($pd_v=$pd_x* 880.0) ANGLE CA22 CA29 CA25 $pd_v 111.000 +eval ($pd_v=$pd_x* 880.0) ANGLE CA29 CA25 CA30 $pd_v 109.500 +eval ($pd_v=$pd_x* 880.0) ANGLE CA25 CA30 OA37 $pd_v 109.500 +eval ($pd_v=$pd_x* 880.0) ANGLE CA25 CA30 CA17 $pd_v 111.000 +eval ($pd_v=$pd_x* 880.0) ANGLE OA37 CA30 CA17 $pd_v 109.500 +eval ($pd_v=$pd_x* 760.0) ANGLE CA30 OA37 HAAA $pd_v 109.500 +eval ($pd_v=$pd_x* 880.0) ANGLE CA30 CA17 CA14 $pd_v 111.000 +eval ($pd_v=$pd_x* 880.0) ANGLE CA30 CA17 NA31 $pd_v 109.500 +eval ($pd_v=$pd_x* 880.0) ANGLE CA14 CA17 NA31 $pd_v 109.500 +eval ($pd_v=$pd_x* 880.0) ANGLE CA17 CA14 CA16 $pd_v 109.500 +eval ($pd_v=$pd_x* 880.0) ANGLE CA14 CA16 CA18 $pd_v 111.000 +eval ($pd_v=$pd_x* 880.0) ANGLE CA14 CA16 CA13 $pd_v 109.500 +eval ($pd_v=$pd_x* 880.0) ANGLE CA18 CA16 CA13 $pd_v 111.000 +eval ($pd_v=$pd_x* 880.0) ANGLE CA16 CA13 CA11 $pd_v 111.000 +eval ($pd_v=$pd_x* 880.0) ANGLE CA13 CA11 CA10 $pd_v 111.000 +eval ($pd_v=$pd_x* 880.0) ANGLE CA11 CA10 CA12 $pd_v 111.000 +eval ($pd_v=$pd_x* 880.0) ANGLE CA10 CA12 CA15 $pd_v 111.000 +eval ($pd_v=$pd_x* 880.0) ANGLE CA12 CA15 NA32 $pd_v 109.500 +eval ($pd_v=$pd_x* 800.0) ANGLE CA15 NA32 CA26 $pd_v 120.000 +eval ($pd_v=$pd_x* 960.0) ANGLE CA15 NA32 CA8 $pd_v 122.000 +eval ($pd_v=$pd_x* 960.0) ANGLE CA26 NA32 CA8 $pd_v 122.000 +eval ($pd_v=$pd_x* 880.0) ANGLE NA32 CA26 CA20 $pd_v 109.500 +eval ($pd_v=$pd_x* 960.0) ANGLE NA32 CA8 OA35 $pd_v 124.000 +eval ($pd_v=$pd_x* 960.0) ANGLE NA32 CA8 CA5 $pd_v 115.000 +eval ($pd_v=$pd_x* 960.0) ANGLE OA35 CA8 CA5 $pd_v 121.000 +eval ($pd_v=$pd_x* 800.0) ANGLE CA8 CA5 CA1 $pd_v 120.000 +eval ($pd_v=$pd_x* 800.0) ANGLE CA8 CA5 CA3 $pd_v 120.000 +eval ($pd_v=$pd_x* 800.0) ANGLE CA1 CA5 CA3 $pd_v 120.000 +eval ($pd_v=$pd_x* 800.0) ANGLE CA5 CA1 CA4 $pd_v 120.000 +eval ($pd_v=$pd_x* 800.0) ANGLE CA5 CA3 CA6 $pd_v 120.000 +eval ($pd_v=$pd_x* 800.0) ANGLE CA3 CA6 OA38 $pd_v 120.000 +eval ($pd_v=$pd_x* 800.0) ANGLE CA3 CA6 CA2 $pd_v 120.000 +eval ($pd_v=$pd_x* 800.0) ANGLE OA38 CA6 CA2 $pd_v 120.000 +eval ($pd_v=$pd_x* 640.0) ANGLE CA6 OA38 CA28 $pd_v 109.500 +eval ($pd_v=$pd_x* 544.0) ANGLE OA38 CA28 CA21 $pd_v 109.500 +eval ($pd_v=$pd_x* 800.0) ANGLE CA6 CA2 CA4 $pd_v 120.000 +eval ($pd_v=$pd_x* 800.0) ANGLE CA1 CA4 CA2 $pd_v 120.000 +eval ($pd_v=$pd_x* 800.0) ANGLE CA1 CA4 CA7 $pd_v 120.000 +eval ($pd_v=$pd_x* 800.0) ANGLE CA2 CA4 CA7 $pd_v 120.000 +eval ($pd_v=$pd_x* 960.0) ANGLE CA4 CA7 OA34 $pd_v 121.000 +eval ($pd_v=$pd_x* 960.0) ANGLE CA4 CA7 NA31 $pd_v 115.000 +eval ($pd_v=$pd_x* 960.0) ANGLE OA34 CA7 NA31 $pd_v 124.000 +eval ($pd_v=$pd_x* 960.0) ANGLE CA17 NA31 CA7 $pd_v 122.000 +eval ($pd_v=$pd_x* 720.0) ANGLE CA17 NA31 HAAB $pd_v 115.000 +eval ($pd_v=$pd_x* 560.0) ANGLE CA7 NA31 HAAB $pd_v 123.000 + +eval ($pd_v=$pd_x* 800.0) IMPR NA33 CA27 HAAC CA9 $pd_v 0 0.000 +eval ($pd_v=$pd_x* 800.0) IMPR CA9 NA33 CA29 OA36 $pd_v 0 0.000 +eval ($pd_v=$pd_x* 800.0) IMPR NA32 CA15 CA26 CA8 $pd_v 0 0.000 +eval ($pd_v=$pd_x* 800.0) IMPR CA8 NA32 CA5 OA35 $pd_v 0 0.000 +eval ($pd_v=$pd_x* 800.0) IMPR CA5 CA3 CA1 CA8 $pd_v 0 0.000 +eval ($pd_v=$pd_x* 800.0) IMPR CA6 CA2 OA38 CA3 $pd_v 0 0.000 +eval ($pd_v=$pd_x* 800.0) IMPR CA4 CA1 CA2 CA7 $pd_v 0 0.000 +eval ($pd_v=$pd_x* 800.0) IMPR CA7 CA4 NA31 OA34 $pd_v 0 0.000 +eval ($pd_v=$pd_x* 800.0) IMPR NA31 CA17 CA7 HAAB $pd_v 0 0.000 +eval ($pd_v=$pd_x* 400.0) IMPR CA29 CA9 CA22 CA25 $pd_v 0 35.264 +eval ($pd_v=$pd_x* 400.0) IMPR CA30 CA25 OA37 CA17 $pd_v 0 35.264 +eval ($pd_v=$pd_x* 400.0) IMPR CA17 CA30 CA14 NA31 $pd_v 0 35.264 +eval ($pd_v=$pd_x* 400.0) IMPR CA16 CA14 CA18 CA13 $pd_v 0 35.264 +eval ($pd_v=$pd_x* 800.0) IMPR CA5 CA1 CA4 CA2 $pd_v 0 0.000 +eval ($pd_v=$pd_x* 800.0) IMPR CA1 CA4 CA2 CA6 $pd_v 0 0.000 +eval ($pd_v=$pd_x* 800.0) IMPR CA4 CA2 CA6 CA3 $pd_v 0 0.000 +eval ($pd_v=$pd_x* 800.0) IMPR CA2 CA6 CA3 CA5 $pd_v 0 0.000 +eval ($pd_v=$pd_x* 800.0) IMPR CA6 CA3 CA5 CA1 $pd_v 0 0.000 +eval ($pd_v=$pd_x* 800.0) IMPR CA3 CA5 CA1 CA4 $pd_v 0 0.000 + +eval ($pd_v=$pd_x* 19.6) DIHE CA27 CA24 CA23 CA19 $pd_v 3 0.000 +eval ($pd_v=$pd_x* 19.6) DIHE NA33 CA27 CA24 CA23 $pd_v 3 0.000 +eval ($pd_v=$pd_x* 0.1) DIHE CA24 CA27 NA33 CA9 $pd_v 6 180.000 +eval ($pd_v=$pd_x* 640.0) DIHE CA29 CA9 NA33 CA27 $pd_v 2 180.000 +eval ($pd_v=$pd_x* 0.1) DIHE CA25 CA29 CA9 NA33 $pd_v 6 0.000 +eval ($pd_v=$pd_x* 19.6) DIHE CA30 CA25 CA29 CA9 $pd_v 3 0.000 +eval ($pd_v=$pd_x* 19.6) DIHE CA29 CA25 CA30 CA17 $pd_v 3 0.000 +eval ($pd_v=$pd_x* 0.9) DIHE CA25 CA30 OA37 HAAA $pd_v 3 0.000 +eval ($pd_v=$pd_x* 19.6) DIHE NA31 CA17 CA30 CA25 $pd_v 3 0.000 +eval ($pd_v=$pd_x* 19.6) DIHE CA16 CA14 CA17 CA30 $pd_v 3 0.000 +eval ($pd_v=$pd_x* 0.1) DIHE CA30 CA17 NA31 HAAB $pd_v 6 180.000 +eval ($pd_v=$pd_x* 19.6) DIHE CA17 CA14 CA16 CA13 $pd_v 3 0.000 +eval ($pd_v=$pd_x* 19.6) DIHE CA11 CA13 CA16 CA14 $pd_v 3 0.000 +eval ($pd_v=$pd_x* 19.6) DIHE CA10 CA11 CA13 CA16 $pd_v 3 0.000 +eval ($pd_v=$pd_x* 19.6) DIHE CA12 CA10 CA11 CA13 $pd_v 3 0.000 +eval ($pd_v=$pd_x* 19.6) DIHE CA15 CA12 CA10 CA11 $pd_v 3 0.000 +eval ($pd_v=$pd_x* 19.6) DIHE NA32 CA15 CA12 CA10 $pd_v 3 0.000 +eval ($pd_v=$pd_x* 0.1) DIHE CA12 CA15 NA32 CA8 $pd_v 6 180.000 +eval ($pd_v=$pd_x* 0.1) DIHE CA20 CA26 NA32 CA15 $pd_v 6 180.000 +eval ($pd_v=$pd_x* 640.0) DIHE CA5 CA8 NA32 CA15 $pd_v 2 180.000 +eval ($pd_v=$pd_x* 19.6) DIHE CA3 CA5 CA8 NA32 $pd_v 2 180.000 +eval ($pd_v=$pd_x* 8.1) DIHE CA3 CA6 OA38 CA28 $pd_v 6 0.000 +eval ($pd_v=$pd_x* 8.1) DIHE CA21 CA28 OA38 CA6 $pd_v 3 0.000 +eval ($pd_v=$pd_x* 19.6) DIHE CA1 CA4 CA7 NA31 $pd_v 2 180.000 +eval ($pd_v=$pd_x* 640.0) DIHE CA4 CA7 NA31 HAAB $pd_v 2 180.000 + + +NONBONDED CA19 0.10000 3.29633 0.10000 3.02906 +NONBONDED CA23 0.10000 3.29633 0.10000 3.02906 +NONBONDED CA24 0.10000 3.29633 0.10000 3.02906 +NONBONDED CA27 0.10000 3.29633 0.10000 3.02906 +NONBONDED NA33 0.10000 2.67270 0.10000 2.40543 +NONBONDED HAAC 0.10000 1.42544 0.10000 1.15817 +NONBONDED CA9 0.10000 3.29633 0.10000 3.02906 +NONBONDED OA36 0.10000 2.58361 0.10000 2.31634 +NONBONDED CA29 0.10000 3.29633 0.10000 3.02906 +NONBONDED CA22 0.10000 3.29633 0.10000 3.02906 +NONBONDED CA25 0.10000 3.29633 0.10000 3.02906 +NONBONDED CA30 0.10000 3.29633 0.10000 3.02906 +NONBONDED OA37 0.10000 2.58361 0.10000 2.31634 +NONBONDED HAAA 0.10000 1.42544 0.10000 1.15817 +NONBONDED CA17 0.10000 3.29633 0.10000 3.02906 +NONBONDED CA14 0.10000 3.29633 0.10000 3.02906 +NONBONDED CA16 0.10000 3.29633 0.10000 3.02906 +NONBONDED CA18 0.10000 3.29633 0.10000 3.02906 +NONBONDED CA13 0.10000 3.29633 0.10000 3.02906 +NONBONDED CA11 0.10000 3.29633 0.10000 3.02906 +NONBONDED CA10 0.10000 3.29633 0.10000 3.02906 +NONBONDED CA12 0.10000 3.29633 0.10000 3.02906 +NONBONDED CA15 0.10000 3.29633 0.10000 3.02906 +NONBONDED NA32 0.10000 2.67270 0.10000 2.40543 +NONBONDED CA26 0.10000 3.29633 0.10000 3.02906 +NONBONDED CA20 0.10000 3.29633 0.10000 3.02906 +NONBONDED CA8 0.10000 3.29633 0.10000 3.02906 +NONBONDED OA35 0.10000 2.58361 0.10000 2.31634 +NONBONDED CA5 0.10000 3.29633 0.10000 3.02906 +NONBONDED CA1 0.10000 3.29633 0.10000 3.02906 +NONBONDED CA3 0.10000 3.29633 0.10000 3.02906 +NONBONDED CA6 0.10000 3.29633 0.10000 3.02906 +NONBONDED OA38 0.10000 2.58361 0.10000 2.31634 +NONBONDED CA28 0.10000 3.29633 0.10000 3.02906 +NONBONDED CA21 0.10000 3.29633 0.10000 3.02906 +NONBONDED CA2 0.10000 3.29633 0.10000 3.02906 +NONBONDED CA4 0.10000 3.29633 0.10000 3.02906 +NONBONDED CA7 0.10000 3.29633 0.10000 3.02906 +NONBONDED OA34 0.10000 2.58361 0.10000 2.31634 +NONBONDED NA31 0.10000 2.67270 0.10000 2.40543 +NONBONDED HAAB 0.10000 1.42544 0.10000 1.15817 + +set echo=on message=on end diff --git a/example/shape/data/sha_ligand.top b/example/shape/data/sha_ligand.top new file mode 100644 index 0000000..432ccc8 --- /dev/null +++ b/example/shape/data/sha_ligand.top @@ -0,0 +1,255 @@ +! Put in this file your ligand topology if needed +! +! +! This file was generated by PRODRG version 070118.0614 +! PRODRG written/copyrighted by Daan van Aalten +! and Alexander Schuettelkopf +! +! Questions/comments to dava@davapc1.bioch.dundee.ac.uk +! +! When using this software in a publication, cite: +! A. W. Schuettelkopf and D. M. F. van Aalten (2004). +! PRODRG - a tool for high-throughput crystallography +! of protein-ligand complexes. +! Acta Crystallogr. D60, 1355--1363. +! +! +! *** NOTE *** IF YOU USE MORE THAN ONE PRODRG-GENERATED TOPOLOGY IN CNS, +! PLEASE CAREFULLY READ THE FAQ AS THIS MAY CAUSE PROBLEMS +! +! +set echo=false end +AUTOGENERATE ANGLES=FALSE END +MASS CA19 15.0350 ! equivalent to CH3 +MASS CA23 14.0270 ! equivalent to CH2 +MASS CA24 14.0270 ! equivalent to CH2 +MASS CA27 14.0270 ! equivalent to CH2 +MASS NA33 14.0067 ! equivalent to N +MASS HAAC 1.0080 ! equivalent to H +MASS CA9 12.0110 ! equivalent to C +MASS OA36 15.9994 ! equivalent to O +MASS CA29 13.0190 ! equivalent to CH1 +MASS CA22 15.0350 ! equivalent to CH3 +MASS CA25 14.0270 ! equivalent to CH2 +MASS CA30 13.0190 ! equivalent to CH1 +MASS OA37 15.9994 ! equivalent to OA +MASS HAAA 1.0080 ! equivalent to HO +MASS CA17 13.0190 ! equivalent to CH1 +MASS CA14 14.0270 ! equivalent to CH2 +MASS CA16 13.0190 ! equivalent to CH1 +MASS CA18 15.0350 ! equivalent to CH3 +MASS CA13 14.0270 ! equivalent to CH2 +MASS CA11 14.0270 ! equivalent to CH2 +MASS CA10 14.0270 ! equivalent to CH2 +MASS CA12 14.0270 ! equivalent to CH2 +MASS CA15 14.0270 ! equivalent to CH2 +MASS NA32 14.0067 ! equivalent to N +MASS CA26 14.0270 ! equivalent to CH2 +MASS CA20 15.0350 ! equivalent to CH3 +MASS CA8 12.0110 ! equivalent to C +MASS OA35 15.9994 ! equivalent to O +MASS CA5 12.0110 ! equivalent to CB +MASS CA1 13.0190 ! equivalent to CR61 +MASS CA3 13.0190 ! equivalent to CR61 +MASS CA6 12.0110 ! equivalent to CB +MASS OA38 15.9994 ! equivalent to OS +MASS CA28 14.0270 ! equivalent to CS2 +MASS CA21 15.0350 ! equivalent to CH3 +MASS CA2 13.0190 ! equivalent to CR61 +MASS CA4 12.0110 ! equivalent to CB +MASS CA7 12.0110 ! equivalent to C +MASS OA34 15.9994 ! equivalent to O +MASS NA31 14.0067 ! equivalent to N +MASS HAAB 1.0080 ! equivalent to H + +Residue UNK +GROUP + ATOM C19 TYPE= CA19 CHARGE= 0.012 END + ATOM C23 TYPE= CA23 CHARGE= 0.049 END + ATOM C24 TYPE= CA24 CHARGE= 0.048 END + ATOM C27 TYPE= CA27 CHARGE= 0.049 END + ATOM N33 TYPE= NA33 CHARGE= 0.120 END + ATOM H86 TYPE= HAAC CHARGE=-0.012 END + ATOM C9 TYPE= CA9 CHARGE= 0.349 END + ATOM O36 TYPE= OA36 CHARGE=-0.717 END + ATOM C29 TYPE= CA29 CHARGE= 0.112 END + ATOM C22 TYPE= CA22 CHARGE= 0.012 END + ATOM C25 TYPE= CA25 CHARGE= 0.049 END + ATOM C30 TYPE= CA30 CHARGE= 0.112 END + ATOM O37 TYPE= OA37 CHARGE=-0.204 END + ATOM HAA TYPE= HAAA CHARGE= 0.034 END + ATOM C17 TYPE= CA17 CHARGE= 0.112 END + ATOM C14 TYPE= CA14 CHARGE= 0.049 END + ATOM C16 TYPE= CA16 CHARGE= 0.112 END + ATOM C18 TYPE= CA18 CHARGE= 0.012 END + ATOM C13 TYPE= CA13 CHARGE= 0.049 END + ATOM C11 TYPE= CA11 CHARGE= 0.049 END + ATOM C10 TYPE= CA10 CHARGE= 0.049 END + ATOM C12 TYPE= CA12 CHARGE= 0.049 END + ATOM C15 TYPE= CA15 CHARGE= 0.048 END + ATOM N32 TYPE= NA32 CHARGE= 0.120 END + ATOM C26 TYPE= CA26 CHARGE= 0.049 END + ATOM C20 TYPE= CA20 CHARGE= 0.012 END + ATOM C8 TYPE= CA8 CHARGE= 0.349 END + ATOM O35 TYPE= OA35 CHARGE=-0.717 END + ATOM C5 TYPE= CA5 CHARGE=-0.035 END + ATOM C1 TYPE= CA1 CHARGE=-0.055 END + ATOM C3 TYPE= CA3 CHARGE=-0.055 END + ATOM C6 TYPE= CA6 CHARGE= 0.119 END + ATOM O38 TYPE= OA38 CHARGE=-0.195 END + ATOM C28 TYPE= CA28 CHARGE= 0.203 END + ATOM C21 TYPE= CA21 CHARGE= 0.012 END + ATOM C2 TYPE= CA2 CHARGE=-0.055 END + ATOM C4 TYPE= CA4 CHARGE=-0.034 END + ATOM C7 TYPE= CA7 CHARGE= 0.349 END + ATOM O34 TYPE= OA34 CHARGE=-0.717 END + ATOM N31 TYPE= NA31 CHARGE= 0.120 END + ATOM H85 TYPE= HAAB CHARGE=-0.012 END + + BOND C19 C23 + BOND C23 C24 + BOND C24 C27 + BOND C27 N33 + BOND N33 H86 + BOND N33 C9 + BOND C9 O36 + BOND C9 C29 + BOND C29 C22 + BOND C29 C25 + BOND C25 C30 + BOND C30 O37 + BOND C30 C17 + BOND O37 HAA + BOND C17 C14 + BOND C17 N31 + BOND C14 C16 + BOND C16 C18 + BOND C16 C13 + BOND C13 C11 + BOND C11 C10 + BOND C10 C12 + BOND C12 C15 + BOND C15 N32 + BOND N32 C26 + BOND N32 C8 + BOND C26 C20 + BOND C8 O35 + BOND C8 C5 + BOND C5 C1 + BOND C5 C3 + BOND C1 C4 + BOND C3 C6 + BOND C6 O38 + BOND C6 C2 + BOND O38 C28 + BOND C28 C21 + BOND C2 C4 + BOND C4 C7 + BOND C7 O34 + BOND C7 N31 + BOND N31 H85 + + ANGLE C19 C23 C24 + ANGLE C23 C24 C27 + ANGLE C24 C27 N33 + ANGLE C27 N33 H86 + ANGLE C27 N33 C9 + ANGLE H86 N33 C9 + ANGLE N33 C9 O36 + ANGLE N33 C9 C29 + ANGLE O36 C9 C29 + ANGLE C9 C29 C22 + ANGLE C9 C29 C25 + ANGLE C22 C29 C25 + ANGLE C29 C25 C30 + ANGLE C25 C30 O37 + ANGLE C25 C30 C17 + ANGLE O37 C30 C17 + ANGLE C30 O37 HAA + ANGLE C30 C17 C14 + ANGLE C30 C17 N31 + ANGLE C14 C17 N31 + ANGLE C17 C14 C16 + ANGLE C14 C16 C18 + ANGLE C14 C16 C13 + ANGLE C18 C16 C13 + ANGLE C16 C13 C11 + ANGLE C13 C11 C10 + ANGLE C11 C10 C12 + ANGLE C10 C12 C15 + ANGLE C12 C15 N32 + ANGLE C15 N32 C26 + ANGLE C15 N32 C8 + ANGLE C26 N32 C8 + ANGLE N32 C26 C20 + ANGLE N32 C8 O35 + ANGLE N32 C8 C5 + ANGLE O35 C8 C5 + ANGLE C8 C5 C1 + ANGLE C8 C5 C3 + ANGLE C1 C5 C3 + ANGLE C5 C1 C4 + ANGLE C5 C3 C6 + ANGLE C3 C6 O38 + ANGLE C3 C6 C2 + ANGLE O38 C6 C2 + ANGLE C6 O38 C28 + ANGLE O38 C28 C21 + ANGLE C6 C2 C4 + ANGLE C1 C4 C2 + ANGLE C1 C4 C7 + ANGLE C2 C4 C7 + ANGLE C4 C7 O34 + ANGLE C4 C7 N31 + ANGLE O34 C7 N31 + ANGLE C17 N31 C7 + ANGLE C17 N31 H85 + ANGLE C7 N31 H85 + + IMPROPER N33 C27 H86 C9 + IMPROPER C9 N33 C29 O36 + IMPROPER N32 C15 C26 C8 + IMPROPER C8 N32 C5 O35 + IMPROPER C5 C3 C1 C8 + IMPROPER C6 C2 O38 C3 + IMPROPER C4 C1 C2 C7 + IMPROPER C7 C4 N31 O34 + IMPROPER N31 C17 C7 H85 + IMPROPER C29 C9 C22 C25 + IMPROPER C30 C25 O37 C17 + IMPROPER C17 C30 C14 N31 + IMPROPER C16 C14 C18 C13 + IMPROPER C5 C1 C4 C2 + IMPROPER C1 C4 C2 C6 + IMPROPER C4 C2 C6 C3 + IMPROPER C2 C6 C3 C5 + IMPROPER C6 C3 C5 C1 + IMPROPER C3 C5 C1 C4 + + DIHEDRAL C27 C24 C23 C19 + DIHEDRAL N33 C27 C24 C23 + DIHEDRAL C24 C27 N33 C9 + DIHEDRAL C29 C9 N33 C27 + DIHEDRAL C25 C29 C9 N33 + DIHEDRAL C30 C25 C29 C9 + DIHEDRAL C29 C25 C30 C17 + DIHEDRAL C25 C30 O37 HAA + DIHEDRAL N31 C17 C30 C25 + DIHEDRAL C16 C14 C17 C30 + DIHEDRAL C30 C17 N31 H85 + DIHEDRAL C17 C14 C16 C13 + DIHEDRAL C11 C13 C16 C14 + DIHEDRAL C10 C11 C13 C16 + DIHEDRAL C12 C10 C11 C13 + DIHEDRAL C15 C12 C10 C11 + DIHEDRAL N32 C15 C12 C10 + DIHEDRAL C12 C15 N32 C8 + DIHEDRAL C20 C26 N32 C15 + DIHEDRAL C5 C8 N32 C15 + DIHEDRAL C3 C5 C8 N32 + DIHEDRAL C3 C6 O38 C28 + DIHEDRAL C21 C28 O38 C6 + DIHEDRAL C1 C4 C7 N31 + DIHEDRAL C4 C7 N31 H85 +END +set echo=true end diff --git a/example/shape/data/sha_r_u.pdb b/example/shape/data/sha_r_u.pdb new file mode 100644 index 0000000..cc09ec3 --- /dev/null +++ b/example/shape/data/sha_r_u.pdb @@ -0,0 +1,2943 @@ +ATOM 1 N GLU A 1 44.142 41.034 26.875 1.00 35.32 A +ATOM 2 CA GLU A 1 45.119 41.183 25.802 1.00 40.60 A +ATOM 3 C GLU A 1 44.472 41.188 24.416 1.00 41.48 A +ATOM 4 O GLU A 1 45.092 41.604 23.437 1.00 44.23 A +ATOM 5 CB GLU A 1 46.162 40.067 25.887 1.00 45.20 A +ATOM 6 CG GLU A 1 47.096 40.200 27.081 1.00 55.82 A +ATOM 7 CD GLU A 1 48.028 39.015 27.234 1.00 62.06 A +ATOM 8 OE1 GLU A 1 48.769 38.706 26.278 1.00 67.75 A +ATOM 9 OE2 GLU A 1 48.019 38.393 28.317 1.00 66.31 A +ATOM 10 N MET A 2 43.224 40.738 24.332 1.00 39.42 A +ATOM 11 CA MET A 2 42.524 40.705 23.049 1.00 37.79 A +ATOM 12 C MET A 2 41.558 41.865 22.886 1.00 37.65 A +ATOM 13 O MET A 2 41.074 42.135 21.782 1.00 36.68 A +ATOM 14 CB MET A 2 41.783 39.375 22.887 1.00 38.89 A +ATOM 15 CG MET A 2 42.724 38.187 22.803 1.00 40.34 A +ATOM 16 SD MET A 2 41.882 36.615 22.585 1.00 39.83 A +ATOM 17 CE MET A 2 41.668 36.085 24.266 1.00 42.84 A +ATOM 18 N VAL A 3 41.273 42.560 23.980 1.00 33.95 A +ATOM 19 CA VAL A 3 40.374 43.696 23.898 1.00 31.72 A +ATOM 20 C VAL A 3 41.024 44.718 22.969 1.00 35.04 A +ATOM 21 O VAL A 3 42.238 44.918 23.014 1.00 33.69 A +ATOM 22 CB VAL A 3 40.145 44.335 25.281 1.00 32.73 A +ATOM 23 CG1 VAL A 3 39.269 45.566 25.139 1.00 30.59 A +ATOM 24 CG2 VAL A 3 39.502 43.322 26.222 1.00 32.14 A +ATOM 25 N ASP A 4 40.214 45.337 22.116 1.00 35.97 A +ATOM 26 CA ASP A 4 40.682 46.340 21.163 1.00 38.73 A +ATOM 27 C ASP A 4 41.630 45.794 20.091 1.00 38.39 A +ATOM 28 O ASP A 4 42.445 46.541 19.560 1.00 37.16 A +ATOM 29 CB ASP A 4 41.376 47.498 21.900 1.00 43.32 A +ATOM 30 CG ASP A 4 40.406 48.348 22.712 1.00 51.78 A +ATOM 31 OD1 ASP A 4 40.875 49.199 23.504 1.00 50.88 A +ATOM 32 OD2 ASP A 4 39.176 48.174 22.560 1.00 55.66 A +ATOM 33 N ASN A 5 41.534 44.507 19.765 1.00 36.92 A +ATOM 34 CA ASN A 5 42.422 43.946 18.743 1.00 31.52 A +ATOM 35 C ASN A 5 41.908 44.062 17.311 1.00 33.62 A +ATOM 36 O ASN A 5 42.511 43.513 16.387 1.00 36.25 A +ATOM 37 CB ASN A 5 42.760 42.481 19.049 1.00 27.23 A +ATOM 38 CG ASN A 5 41.548 41.563 19.007 1.00 27.39 A +ATOM 39 OD1 ASN A 5 40.417 41.999 18.792 1.00 30.24 A +ATOM 40 ND2 ASN A 5 41.787 40.282 19.223 1.00 26.62 A +ATOM 41 N LEU A 6 40.806 44.780 17.122 1.00 32.47 A +ATOM 42 CA LEU A 6 40.245 44.959 15.788 1.00 34.65 A +ATOM 43 C LEU A 6 40.295 46.424 15.391 1.00 35.69 A +ATOM 44 O LEU A 6 40.119 47.312 16.227 1.00 30.80 A +ATOM 45 CB LEU A 6 38.790 44.472 15.733 1.00 31.47 A +ATOM 46 CG LEU A 6 38.514 43.005 16.072 1.00 30.26 A +ATOM 47 CD1 LEU A 6 37.021 42.706 15.891 1.00 28.73 A +ATOM 48 CD2 LEU A 6 39.328 42.108 15.168 1.00 30.99 A +ATOM 49 N ARG A 7 40.535 46.660 14.105 1.00 35.78 A +ATOM 50 CA ARG A 7 40.604 48.001 13.537 1.00 41.30 A +ATOM 51 C ARG A 7 39.918 47.955 12.181 1.00 42.13 A +ATOM 52 O ARG A 7 39.571 46.879 11.691 1.00 43.62 A +ATOM 53 CB ARG A 7 42.061 48.423 13.324 1.00 45.56 A +ATOM 54 CG ARG A 7 42.905 48.487 14.581 1.00 53.18 A +ATOM 55 CD ARG A 7 44.368 48.595 14.194 1.00 61.57 A +ATOM 56 NE ARG A 7 44.590 49.691 13.255 1.00 67.36 A +ATOM 57 CZ ARG A 7 45.701 49.854 12.541 1.00 70.54 A +ATOM 58 NH1 ARG A 7 46.701 48.989 12.655 1.00 71.77 A +ATOM 59 NH2 ARG A 7 45.811 50.884 11.713 1.00 72.47 A +ATOM 60 N GLY A 8 39.736 49.117 11.567 1.00 43.13 A +ATOM 61 CA GLY A 8 39.108 49.147 10.263 1.00 43.40 A +ATOM 62 C GLY A 8 38.610 50.513 9.851 1.00 48.18 A +ATOM 63 O GLY A 8 38.678 51.473 10.617 1.00 47.62 A +ATOM 64 N LYS A 9 38.114 50.589 8.621 1.00 49.63 A +ATOM 65 CA LYS A 9 37.567 51.818 8.069 1.00 49.48 A +ATOM 66 C LYS A 9 36.078 51.573 7.902 1.00 49.25 A +ATOM 67 O LYS A 9 35.667 50.492 7.474 1.00 48.23 A +ATOM 68 CB LYS A 9 38.192 52.117 6.704 1.00 55.09 A +ATOM 69 CG LYS A 9 39.660 52.526 6.737 1.00 60.57 A +ATOM 70 CD LYS A 9 39.820 53.971 7.186 1.00 65.60 A +ATOM 71 CE LYS A 9 41.253 54.452 7.004 1.00 66.79 A +ATOM 72 NZ LYS A 9 41.404 55.893 7.347 1.00 69.32 A +ATOM 73 N SER A 10 35.272 52.570 8.244 1.00 47.26 A +ATOM 74 CA SER A 10 33.828 52.443 8.128 1.00 48.86 A +ATOM 75 C SER A 10 33.428 51.932 6.748 1.00 48.48 A +ATOM 76 O SER A 10 33.802 52.516 5.728 1.00 47.44 A +ATOM 77 CB SER A 10 33.158 53.794 8.385 1.00 48.64 A +ATOM 78 OG SER A 10 31.751 53.694 8.246 1.00 55.23 A +ATOM 79 N GLY A 11 32.678 50.832 6.726 1.00 48.18 A +ATOM 80 CA GLY A 11 32.219 50.261 5.472 1.00 41.30 A +ATOM 81 C GLY A 11 33.251 49.422 4.743 1.00 42.75 A +ATOM 82 O GLY A 11 32.991 48.933 3.644 1.00 39.39 A +ATOM 83 N GLN A 12 34.420 49.236 5.349 1.00 38.85 A +ATOM 84 CA GLN A 12 35.462 48.455 4.701 1.00 39.69 A +ATOM 85 C GLN A 12 35.876 47.208 5.475 1.00 38.52 A +ATOM 86 O GLN A 12 36.897 46.602 5.170 1.00 39.65 A +ATOM 87 CB GLN A 12 36.684 49.340 4.425 1.00 39.31 A +ATOM 88 CG GLN A 12 36.334 50.639 3.696 1.00 43.76 A +ATOM 89 CD GLN A 12 37.533 51.287 3.025 1.00 46.41 A +ATOM 90 OE1 GLN A 12 38.609 51.380 3.609 1.00 49.90 A +ATOM 91 NE2 GLN A 12 37.346 51.749 1.794 1.00 47.80 A +ATOM 92 N GLY A 13 35.083 46.827 6.470 1.00 36.61 A +ATOM 93 CA GLY A 13 35.385 45.631 7.241 1.00 36.92 A +ATOM 94 C GLY A 13 36.322 45.789 8.428 1.00 39.58 A +ATOM 95 O GLY A 13 37.106 46.738 8.501 1.00 40.27 A +ATOM 96 N TYR A 14 36.232 44.850 9.367 1.00 35.76 A +ATOM 97 CA TYR A 14 37.084 44.853 10.551 1.00 35.45 A +ATOM 98 C TYR A 14 38.178 43.822 10.361 1.00 34.65 A +ATOM 99 O TYR A 14 37.915 42.704 9.905 1.00 33.05 A +ATOM 100 CB TYR A 14 36.298 44.487 11.813 1.00 35.50 A +ATOM 101 CG TYR A 14 35.290 45.514 12.245 1.00 34.33 A +ATOM 102 CD1 TYR A 14 34.067 45.628 11.600 1.00 34.09 A +ATOM 103 CD2 TYR A 14 35.565 46.379 13.307 1.00 31.52 A +ATOM 104 CE1 TYR A 14 33.140 46.573 11.995 1.00 37.89 A +ATOM 105 CE2 TYR A 14 34.647 47.326 13.711 1.00 35.14 A +ATOM 106 CZ TYR A 14 33.435 47.420 13.052 1.00 39.04 A +ATOM 107 OH TYR A 14 32.515 48.365 13.443 1.00 37.66 A +ATOM 108 N TYR A 15 39.404 44.185 10.727 1.00 32.74 A +ATOM 109 CA TYR A 15 40.520 43.265 10.579 1.00 34.64 A +ATOM 110 C TYR A 15 41.310 43.091 11.864 1.00 34.71 A +ATOM 111 O TYR A 15 41.344 43.974 12.723 1.00 33.42 A +ATOM 112 CB TYR A 15 41.445 43.732 9.447 1.00 35.34 A +ATOM 113 CG TYR A 15 42.068 45.098 9.659 1.00 37.96 A +ATOM 114 CD1 TYR A 15 43.192 45.255 10.464 1.00 37.90 A +ATOM 115 CD2 TYR A 15 41.537 46.225 9.049 1.00 34.99 A +ATOM 116 CE1 TYR A 15 43.773 46.501 10.650 1.00 36.42 A +ATOM 117 CE2 TYR A 15 42.109 47.474 9.228 1.00 38.37 A +ATOM 118 CZ TYR A 15 43.230 47.602 10.030 1.00 37.23 A +ATOM 119 OH TYR A 15 43.807 48.840 10.212 1.00 42.04 A +ATOM 120 N VAL A 16 41.928 41.925 11.990 1.00 33.73 A +ATOM 121 CA VAL A 16 42.731 41.591 13.151 1.00 36.85 A +ATOM 122 C VAL A 16 44.134 41.306 12.612 1.00 40.31 A +ATOM 123 O VAL A 16 44.281 40.864 11.472 1.00 37.28 A +ATOM 124 CB VAL A 16 42.179 40.328 13.857 1.00 34.76 A +ATOM 125 CG1 VAL A 16 42.313 39.116 12.940 1.00 39.27 A +ATOM 126 CG2 VAL A 16 42.918 40.089 15.168 1.00 33.69 A +ATOM 127 N GLU A 17 45.163 41.571 13.411 1.00 39.42 A +ATOM 128 CA GLU A 17 46.526 41.313 12.955 1.00 40.90 A +ATOM 129 C GLU A 17 46.872 39.840 13.145 1.00 39.01 A +ATOM 130 O GLU A 17 46.505 39.233 14.149 1.00 40.44 A +ATOM 131 CB GLU A 17 47.531 42.180 13.723 1.00 39.88 A +ATOM 132 CG GLU A 17 48.970 42.018 13.246 1.00 44.22 A +ATOM 133 CD GLU A 17 49.967 42.817 14.078 1.00 51.17 A +ATOM 134 OE1 GLU A 17 49.912 44.063 14.053 1.00 50.98 A +ATOM 135 OE2 GLU A 17 50.808 42.197 14.758 1.00 51.71 A +ATOM 136 N MET A 18 47.568 39.263 12.174 1.00 36.52 A +ATOM 137 CA MET A 18 47.968 37.863 12.257 1.00 38.34 A +ATOM 138 C MET A 18 49.345 37.710 11.623 1.00 39.12 A +ATOM 139 O MET A 18 49.805 38.588 10.897 1.00 40.80 A +ATOM 140 CB MET A 18 46.985 36.960 11.492 1.00 37.72 A +ATOM 141 CG MET A 18 45.535 37.028 11.950 1.00 39.31 A +ATOM 142 SD MET A 18 44.431 35.967 10.957 1.00 42.67 A +ATOM 143 CE MET A 18 44.724 34.407 11.675 1.00 30.79 A +ATOM 144 N THR A 19 49.998 36.589 11.892 1.00 42.89 A +ATOM 145 CA THR A 19 51.297 36.326 11.292 1.00 45.53 A +ATOM 146 C THR A 19 51.250 34.942 10.671 1.00 46.22 A +ATOM 147 O THR A 19 50.723 34.001 11.270 1.00 44.18 A +ATOM 148 CB THR A 19 52.441 36.352 12.323 1.00 46.26 A +ATOM 149 OG1 THR A 19 52.323 35.223 13.198 1.00 49.78 A +ATOM 150 CG2 THR A 19 52.399 37.633 13.133 1.00 43.90 A +ATOM 151 N VAL A 20 51.785 34.832 9.460 1.00 46.19 A +ATOM 152 CA VAL A 20 51.831 33.566 8.748 1.00 48.52 A +ATOM 153 C VAL A 20 53.263 33.253 8.309 1.00 51.22 A +ATOM 154 O VAL A 20 54.017 34.154 7.931 1.00 52.57 A +ATOM 155 CB VAL A 20 50.956 33.596 7.482 1.00 48.01 A +ATOM 156 CG1 VAL A 20 51.058 32.265 6.774 1.00 48.05 A +ATOM 157 CG2 VAL A 20 49.504 33.910 7.837 1.00 46.16 A +ATOM 158 N GLY A 21 53.635 31.980 8.369 1.00 52.82 A +ATOM 159 CA GLY A 21 54.963 31.581 7.937 1.00 55.94 A +ATOM 160 C GLY A 21 56.095 31.739 8.934 1.00 57.72 A +ATOM 161 O GLY A 21 55.926 32.309 10.012 1.00 56.71 A +ATOM 162 N SER A 22 57.261 31.219 8.556 1.00 58.58 A +ATOM 163 CA SER A 22 58.459 31.280 9.387 1.00 59.17 A +ATOM 164 C SER A 22 59.631 31.708 8.508 1.00 60.02 A +ATOM 165 O SER A 22 59.986 31.011 7.556 1.00 58.03 A +ATOM 166 CB SER A 22 58.752 29.905 9.987 1.00 59.95 A +ATOM 167 OG SER A 22 57.581 29.318 10.530 1.00 61.65 A +ATOM 168 N PRO A 23 60.241 32.867 8.810 1.00 59.99 A +ATOM 169 CA PRO A 23 59.877 33.758 9.915 1.00 59.54 A +ATOM 170 C PRO A 23 58.503 34.395 9.714 1.00 58.83 A +ATOM 171 O PRO A 23 58.068 34.616 8.584 1.00 58.08 A +ATOM 172 CB PRO A 23 61.000 34.790 9.900 1.00 57.98 A +ATOM 173 CG PRO A 23 61.295 34.908 8.447 1.00 59.85 A +ATOM 174 CD PRO A 23 61.323 33.460 8.005 1.00 58.51 A +ATOM 175 N PRO A 24 57.813 34.706 10.822 1.00 58.97 A +ATOM 176 CA PRO A 24 56.480 35.317 10.861 1.00 56.65 A +ATOM 177 C PRO A 24 56.278 36.489 9.909 1.00 54.94 A +ATOM 178 O PRO A 24 57.047 37.448 9.919 1.00 54.56 A +ATOM 179 CB PRO A 24 56.347 35.746 12.320 1.00 57.70 A +ATOM 180 CG PRO A 24 57.108 34.684 13.040 1.00 59.69 A +ATOM 181 CD PRO A 24 58.346 34.534 12.185 1.00 58.57 A +ATOM 182 N GLN A 25 55.241 36.407 9.082 1.00 52.77 A +ATOM 183 CA GLN A 25 54.929 37.490 8.159 1.00 51.21 A +ATOM 184 C GLN A 25 53.646 38.159 8.648 1.00 51.15 A +ATOM 185 O GLN A 25 52.594 37.524 8.732 1.00 49.45 A +ATOM 186 CB GLN A 25 54.744 36.959 6.736 1.00 53.55 A +ATOM 187 CG GLN A 25 56.035 36.500 6.076 1.00 52.43 A +ATOM 188 CD GLN A 25 55.825 36.019 4.656 1.00 54.62 A +ATOM 189 OE1 GLN A 25 55.259 36.730 3.825 1.00 53.58 A +ATOM 190 NE2 GLN A 25 56.286 34.808 4.365 1.00 54.54 A +ATOM 191 N THR A 26 53.746 39.443 8.970 1.00 47.65 A +ATOM 192 CA THR A 26 52.615 40.205 9.477 1.00 47.37 A +ATOM 193 C THR A 26 51.626 40.653 8.411 1.00 45.58 A +ATOM 194 O THR A 26 52.009 41.213 7.385 1.00 44.58 A +ATOM 195 CB THR A 26 53.099 41.447 10.235 1.00 48.64 A +ATOM 196 OG1 THR A 26 53.946 41.035 11.312 1.00 51.38 A +ATOM 197 CG2 THR A 26 51.918 42.231 10.792 1.00 51.57 A +ATOM 198 N LEU A 27 50.344 40.406 8.673 1.00 42.18 A +ATOM 199 CA LEU A 27 49.273 40.784 7.758 1.00 39.83 A +ATOM 200 C LEU A 27 47.985 41.108 8.517 1.00 37.21 A +ATOM 201 O LEU A 27 47.727 40.549 9.582 1.00 41.47 A +ATOM 202 CB LEU A 27 48.992 39.641 6.778 1.00 41.82 A +ATOM 203 CG LEU A 27 50.089 39.287 5.775 1.00 39.57 A +ATOM 204 CD1 LEU A 27 49.752 37.980 5.084 1.00 45.16 A +ATOM 205 CD2 LEU A 27 50.230 40.420 4.768 1.00 41.39 A +ATOM 206 N ASN A 28 47.184 42.014 7.965 1.00 37.26 A +ATOM 207 CA ASN A 28 45.907 42.371 8.570 1.00 35.45 A +ATOM 208 C ASN A 28 44.837 41.552 7.860 1.00 39.00 A +ATOM 209 O ASN A 28 44.671 41.642 6.640 1.00 38.76 A +ATOM 210 CB ASN A 28 45.625 43.861 8.426 1.00 32.25 A +ATOM 211 CG ASN A 28 46.485 44.703 9.349 1.00 36.90 A +ATOM 212 OD1 ASN A 28 46.888 44.244 10.415 1.00 34.50 A +ATOM 213 ND2 ASN A 28 46.756 45.943 8.953 1.00 35.33 A +ATOM 214 N ILE A 29 44.121 40.751 8.640 1.00 39.21 A +ATOM 215 CA ILE A 29 43.099 39.862 8.115 1.00 36.51 A +ATOM 216 C ILE A 29 41.674 40.241 8.521 1.00 37.80 A +ATOM 217 O ILE A 29 41.362 40.359 9.709 1.00 35.89 A +ATOM 218 CB ILE A 29 43.389 38.439 8.585 1.00 33.01 A +ATOM 219 CG1 ILE A 29 44.848 38.087 8.271 1.00 35.24 A +ATOM 220 CG2 ILE A 29 42.438 37.457 7.918 1.00 36.15 A +ATOM 221 CD1 ILE A 29 45.178 38.111 6.786 1.00 34.19 A +ATOM 222 N LEU A 30 40.813 40.429 7.525 1.00 36.17 A +ATOM 223 CA LEU A 30 39.421 40.777 7.781 1.00 36.46 A +ATOM 224 C LEU A 30 38.699 39.623 8.468 1.00 36.16 A +ATOM 225 O LEU A 30 38.874 38.462 8.095 1.00 36.15 A +ATOM 226 CB LEU A 30 38.714 41.124 6.473 1.00 36.48 A +ATOM 227 CG LEU A 30 37.223 41.405 6.648 1.00 40.72 A +ATOM 228 CD1 LEU A 30 36.842 42.670 5.916 1.00 38.67 A +ATOM 229 CD2 LEU A 30 36.422 40.207 6.163 1.00 36.55 A +ATOM 230 N VAL A 31 37.900 39.935 9.483 1.00 34.60 A +ATOM 231 CA VAL A 31 37.173 38.893 10.195 1.00 37.47 A +ATOM 232 C VAL A 31 35.814 38.706 9.530 1.00 39.53 A +ATOM 233 O VAL A 31 34.975 39.604 9.554 1.00 39.99 A +ATOM 234 CB VAL A 31 37.016 39.248 11.687 1.00 42.63 A +ATOM 235 CG1 VAL A 31 38.382 39.281 12.338 1.00 43.56 A +ATOM 236 CG2 VAL A 31 36.344 40.591 11.850 1.00 44.61 A +ATOM 237 N ASP A 32 35.618 37.530 8.930 1.00 41.49 A +ATOM 238 CA ASP A 32 34.391 37.205 8.192 1.00 34.88 A +ATOM 239 C ASP A 32 33.614 35.991 8.718 1.00 34.53 A +ATOM 240 O ASP A 32 33.960 34.847 8.407 1.00 32.45 A +ATOM 241 CB ASP A 32 34.762 36.961 6.721 1.00 35.72 A +ATOM 242 CG ASP A 32 33.568 37.033 5.786 1.00 37.54 A +ATOM 243 OD1 ASP A 32 32.873 38.063 5.801 1.00 39.27 A +ATOM 244 OD2 ASP A 32 33.336 36.071 5.023 1.00 38.11 A +ATOM 245 N THR A 33 32.559 36.221 9.499 1.00 32.20 A +ATOM 246 CA THR A 33 31.769 35.093 9.994 1.00 31.66 A +ATOM 247 C THR A 33 30.828 34.582 8.889 1.00 30.58 A +ATOM 248 O THR A 33 30.098 33.616 9.082 1.00 32.67 A +ATOM 249 CB THR A 33 30.914 35.464 11.241 1.00 29.98 A +ATOM 250 OG1 THR A 33 30.060 36.565 10.930 1.00 32.68 A +ATOM 251 CG2 THR A 33 31.812 35.828 12.432 1.00 32.66 A +ATOM 252 N GLY A 34 30.853 35.238 7.731 1.00 30.59 A +ATOM 253 CA GLY A 34 30.010 34.822 6.623 1.00 31.27 A +ATOM 254 C GLY A 34 30.667 33.807 5.686 1.00 33.74 A +ATOM 255 O GLY A 34 30.059 33.377 4.702 1.00 33.51 A +ATOM 256 N SER A 35 31.906 33.420 5.976 1.00 33.64 A +ATOM 257 CA SER A 35 32.606 32.440 5.137 1.00 33.07 A +ATOM 258 C SER A 35 33.485 31.513 5.969 1.00 33.08 A +ATOM 259 O SER A 35 33.609 31.686 7.189 1.00 29.20 A +ATOM 260 CB SER A 35 33.451 33.141 4.069 1.00 32.76 A +ATOM 261 OG SER A 35 34.507 33.884 4.648 1.00 36.23 A +ATOM 262 N SER A 36 34.107 30.541 5.304 1.00 30.17 A +ATOM 263 CA SER A 36 34.930 29.567 5.998 1.00 29.72 A +ATOM 264 C SER A 36 36.329 29.327 5.436 1.00 31.32 A +ATOM 265 O SER A 36 36.996 28.372 5.832 1.00 30.79 A +ATOM 266 CB SER A 36 34.162 28.247 6.076 1.00 33.69 A +ATOM 267 OG SER A 36 32.872 28.477 6.623 1.00 36.31 A +ATOM 268 N ASN A 37 36.779 30.190 4.530 1.00 30.41 A +ATOM 269 CA ASN A 37 38.118 30.059 3.967 1.00 31.55 A +ATOM 270 C ASN A 37 39.074 31.124 4.499 1.00 34.08 A +ATOM 271 O ASN A 37 38.718 32.298 4.613 1.00 34.39 A +ATOM 272 CB ASN A 37 38.092 30.163 2.434 1.00 32.20 A +ATOM 273 CG ASN A 37 37.654 28.876 1.767 1.00 37.35 A +ATOM 274 OD1 ASN A 37 36.466 28.578 1.693 1.00 33.08 A +ATOM 275 ND2 ASN A 37 38.622 28.100 1.285 1.00 35.82 A +ATOM 276 N PHE A 38 40.289 30.703 4.828 1.00 33.69 A +ATOM 277 CA PHE A 38 41.311 31.632 5.292 1.00 36.66 A +ATOM 278 C PHE A 38 42.136 31.891 4.037 1.00 37.52 A +ATOM 279 O PHE A 38 42.690 30.957 3.457 1.00 38.18 A +ATOM 280 CB PHE A 38 42.180 30.978 6.368 1.00 35.70 A +ATOM 281 CG PHE A 38 43.303 31.851 6.863 1.00 38.61 A +ATOM 282 CD1 PHE A 38 44.485 31.286 7.310 1.00 41.44 A +ATOM 283 CD2 PHE A 38 43.169 33.228 6.908 1.00 39.71 A +ATOM 284 CE1 PHE A 38 45.514 32.080 7.793 1.00 44.16 A +ATOM 285 CE2 PHE A 38 44.192 34.025 7.391 1.00 43.24 A +ATOM 286 CZ PHE A 38 45.368 33.449 7.834 1.00 40.47 A +ATOM 287 N ALA A 39 42.212 33.142 3.597 1.00 37.01 A +ATOM 288 CA ALA A 39 42.971 33.440 2.391 1.00 38.33 A +ATOM 289 C ALA A 39 43.697 34.770 2.475 1.00 39.67 A +ATOM 290 O ALA A 39 43.218 35.715 3.096 1.00 40.88 A +ATOM 291 CB ALA A 39 42.046 33.429 1.181 1.00 36.86 A +ATOM 292 N VAL A 40 44.855 34.843 1.830 1.00 39.56 A +ATOM 293 CA VAL A 40 45.641 36.067 1.849 1.00 41.64 A +ATOM 294 C VAL A 40 46.201 36.420 0.481 1.00 41.31 A +ATOM 295 O VAL A 40 46.533 35.540 -0.312 1.00 44.01 A +ATOM 296 CB VAL A 40 46.832 35.944 2.825 1.00 39.18 A +ATOM 297 CG1 VAL A 40 46.333 35.639 4.227 1.00 39.52 A +ATOM 298 CG2 VAL A 40 47.772 34.843 2.353 1.00 40.31 A +ATOM 299 N GLY A 41 46.297 37.716 0.206 1.00 41.10 A +ATOM 300 CA GLY A 41 46.871 38.142 -1.053 1.00 44.66 A +ATOM 301 C GLY A 41 48.273 37.566 -1.059 1.00 47.16 A +ATOM 302 O GLY A 41 49.002 37.702 -0.077 1.00 40.92 A +ATOM 303 N ALA A 42 48.647 36.899 -2.146 1.00 49.74 A +ATOM 304 CA ALA A 42 49.969 36.289 -2.239 1.00 52.56 A +ATOM 305 C ALA A 42 50.678 36.748 -3.502 1.00 54.60 A +ATOM 306 O ALA A 42 51.735 36.235 -3.860 1.00 54.54 A +ATOM 307 CB ALA A 42 49.839 34.777 -2.238 1.00 49.87 A +ATOM 308 N ALA A 43 50.079 37.725 -4.168 1.00 57.77 A +ATOM 309 CA ALA A 43 50.628 38.266 -5.394 1.00 60.04 A +ATOM 310 C ALA A 43 50.371 39.760 -5.423 1.00 61.74 A +ATOM 311 O ALA A 43 49.389 40.245 -4.859 1.00 63.57 A +ATOM 312 CB ALA A 43 49.974 37.596 -6.595 1.00 59.02 A +ATOM 313 N PRO A 44 51.256 40.514 -6.083 1.00 62.01 A +ATOM 314 CA PRO A 44 51.128 41.967 -6.188 1.00 61.43 A +ATOM 315 C PRO A 44 49.711 42.385 -6.555 1.00 60.27 A +ATOM 316 O PRO A 44 49.002 41.670 -7.265 1.00 61.52 A +ATOM 317 CB PRO A 44 52.134 42.314 -7.278 1.00 62.91 A +ATOM 318 CG PRO A 44 53.216 41.306 -7.046 1.00 61.84 A +ATOM 319 CD PRO A 44 52.433 40.035 -6.829 1.00 61.32 A +ATOM 320 N HIS A 45 49.302 43.542 -6.057 1.00 57.35 A +ATOM 321 CA HIS A 45 47.977 44.073 -6.342 1.00 54.96 A +ATOM 322 C HIS A 45 48.019 45.546 -5.985 1.00 53.41 A +ATOM 323 O HIS A 45 48.561 45.929 -4.950 1.00 56.07 A +ATOM 324 CB HIS A 45 46.911 43.342 -5.516 1.00 53.18 A +ATOM 325 CG HIS A 45 45.506 43.651 -5.934 1.00 47.98 A +ATOM 326 ND1 HIS A 45 44.894 44.855 -5.662 1.00 50.21 A +ATOM 327 CD2 HIS A 45 44.609 42.925 -6.642 1.00 49.10 A +ATOM 328 CE1 HIS A 45 43.682 44.859 -6.188 1.00 49.64 A +ATOM 329 NE2 HIS A 45 43.484 43.700 -6.789 1.00 46.54 A +ATOM 330 N PRO A 46 47.456 46.397 -6.846 1.00 53.60 A +ATOM 331 CA PRO A 46 47.440 47.842 -6.613 1.00 55.49 A +ATOM 332 C PRO A 46 46.831 48.282 -5.282 1.00 56.83 A +ATOM 333 O PRO A 46 47.140 49.365 -4.786 1.00 57.23 A +ATOM 334 CB PRO A 46 46.667 48.377 -7.820 1.00 54.83 A +ATOM 335 CG PRO A 46 45.761 47.232 -8.175 1.00 56.60 A +ATOM 336 CD PRO A 46 46.684 46.049 -8.049 1.00 52.94 A +ATOM 337 N PHE A 47 45.978 47.444 -4.699 1.00 57.18 A +ATOM 338 CA PHE A 47 45.335 47.788 -3.432 1.00 57.70 A +ATOM 339 C PHE A 47 46.009 47.161 -2.218 1.00 57.07 A +ATOM 340 O PHE A 47 45.619 47.421 -1.080 1.00 56.15 A +ATOM 341 CB PHE A 47 43.859 47.382 -3.468 1.00 57.72 A +ATOM 342 CG PHE A 47 43.035 48.185 -4.433 1.00 59.20 A +ATOM 343 CD1 PHE A 47 41.723 47.833 -4.706 1.00 59.26 A +ATOM 344 CD2 PHE A 47 43.570 49.299 -5.062 1.00 58.79 A +ATOM 345 CE1 PHE A 47 40.961 48.577 -5.591 1.00 61.35 A +ATOM 346 CE2 PHE A 47 42.815 50.047 -5.946 1.00 57.65 A +ATOM 347 CZ PHE A 47 41.508 49.686 -6.211 1.00 60.65 A +ATOM 348 N LEU A 48 47.022 46.338 -2.458 1.00 58.40 A +ATOM 349 CA LEU A 48 47.733 45.684 -1.369 1.00 60.61 A +ATOM 350 C LEU A 48 49.071 46.357 -1.071 1.00 63.90 A +ATOM 351 O LEU A 48 49.859 46.634 -1.981 1.00 64.87 A +ATOM 352 CB LEU A 48 47.961 44.207 -1.698 1.00 58.70 A +ATOM 353 CG LEU A 48 46.709 43.330 -1.798 1.00 56.88 A +ATOM 354 CD1 LEU A 48 47.091 41.927 -2.240 1.00 53.06 A +ATOM 355 CD2 LEU A 48 46.010 43.292 -0.452 1.00 55.34 A +ATOM 356 N HIS A 49 49.314 46.622 0.210 1.00 64.07 A +ATOM 357 CA HIS A 49 50.554 47.248 0.652 1.00 65.13 A +ATOM 358 C HIS A 49 51.601 46.176 0.916 1.00 62.93 A +ATOM 359 O HIS A 49 52.800 46.443 0.904 1.00 63.74 A +ATOM 360 CB HIS A 49 50.307 48.065 1.922 1.00 70.33 A +ATOM 361 CG HIS A 49 49.623 49.372 1.674 1.00 75.90 A +ATOM 362 ND1 HIS A 49 49.104 50.146 2.689 1.00 79.40 A +ATOM 363 CD2 HIS A 49 49.398 50.056 0.527 1.00 78.07 A +ATOM 364 CE1 HIS A 49 48.587 51.250 2.178 1.00 80.65 A +ATOM 365 NE2 HIS A 49 48.753 51.219 0.868 1.00 80.57 A +ATOM 366 N ARG A 50 51.132 44.958 1.159 1.00 59.28 A +ATOM 367 CA ARG A 50 52.008 43.825 1.416 1.00 56.38 A +ATOM 368 C ARG A 50 51.235 42.549 1.127 1.00 53.91 A +ATOM 369 O ARG A 50 50.023 42.587 0.932 1.00 51.78 A +ATOM 370 CB ARG A 50 52.476 43.832 2.873 1.00 56.78 A +ATOM 371 CG ARG A 50 51.346 43.845 3.884 1.00 57.31 A +ATOM 372 CD ARG A 50 51.876 44.024 5.300 1.00 59.07 A +ATOM 373 NE ARG A 50 50.797 44.166 6.272 1.00 58.56 A +ATOM 374 CZ ARG A 50 50.978 44.299 7.583 1.00 60.53 A +ATOM 375 NH1 ARG A 50 52.203 44.312 8.092 1.00 56.37 A +ATOM 376 NH2 ARG A 50 49.929 44.417 8.389 1.00 58.44 A +ATOM 377 N TYR A 51 51.932 41.420 1.085 1.00 52.54 A +ATOM 378 CA TYR A 51 51.264 40.157 0.827 1.00 53.74 A +ATOM 379 C TYR A 51 52.093 38.969 1.260 1.00 51.69 A +ATOM 380 O TYR A 51 53.280 39.093 1.552 1.00 53.02 A +ATOM 381 CB TYR A 51 50.881 40.032 -0.657 1.00 58.36 A +ATOM 382 CG TYR A 51 52.033 40.113 -1.636 1.00 63.98 A +ATOM 383 CD1 TYR A 51 52.935 39.065 -1.771 1.00 65.09 A +ATOM 384 CD2 TYR A 51 52.215 41.240 -2.429 1.00 66.62 A +ATOM 385 CE1 TYR A 51 53.989 39.138 -2.669 1.00 68.77 A +ATOM 386 CE2 TYR A 51 53.264 41.323 -3.328 1.00 69.28 A +ATOM 387 CZ TYR A 51 54.148 40.270 -3.444 1.00 69.41 A +ATOM 388 OH TYR A 51 55.195 40.352 -4.334 1.00 71.03 A +ATOM 389 N TYR A 52 51.439 37.816 1.308 1.00 47.20 A +ATOM 390 CA TYR A 52 52.054 36.565 1.710 1.00 44.82 A +ATOM 391 C TYR A 52 53.077 36.094 0.681 1.00 49.41 A +ATOM 392 O TYR A 52 52.766 35.969 -0.505 1.00 50.91 A +ATOM 393 CB TYR A 52 50.952 35.524 1.880 1.00 39.88 A +ATOM 394 CG TYR A 52 51.395 34.155 2.325 1.00 38.39 A +ATOM 395 CD1 TYR A 52 52.356 33.991 3.316 1.00 38.61 A +ATOM 396 CD2 TYR A 52 50.785 33.019 1.811 1.00 34.58 A +ATOM 397 CE1 TYR A 52 52.688 32.732 3.784 1.00 37.75 A +ATOM 398 CE2 TYR A 52 51.109 31.766 2.272 1.00 38.25 A +ATOM 399 CZ TYR A 52 52.056 31.625 3.258 1.00 38.24 A +ATOM 400 OH TYR A 52 52.343 30.366 3.730 1.00 44.79 A +ATOM 401 N GLN A 53 54.298 35.840 1.142 1.00 49.95 A +ATOM 402 CA GLN A 53 55.369 35.373 0.268 1.00 52.20 A +ATOM 403 C GLN A 53 55.780 33.965 0.680 1.00 51.05 A +ATOM 404 O GLN A 53 56.621 33.774 1.559 1.00 50.25 A +ATOM 405 CB GLN A 53 56.564 36.329 0.338 1.00 52.97 A +ATOM 406 CG GLN A 53 56.295 37.675 -0.316 1.00 56.58 A +ATOM 407 CD GLN A 53 57.419 38.667 -0.106 1.00 63.05 A +ATOM 408 OE1 GLN A 53 57.726 39.041 1.026 1.00 65.54 A +ATOM 409 NE2 GLN A 53 58.041 39.101 -1.198 1.00 62.32 A +ATOM 410 N ARG A 54 55.161 32.985 0.034 1.00 50.62 A +ATOM 411 CA ARG A 54 55.415 31.577 0.307 1.00 52.73 A +ATOM 412 C ARG A 54 56.889 31.183 0.219 1.00 54.68 A +ATOM 413 O ARG A 54 57.378 30.410 1.044 1.00 53.94 A +ATOM 414 CB ARG A 54 54.587 30.714 -0.653 1.00 51.25 A +ATOM 415 CG ARG A 54 53.090 30.715 -0.345 1.00 52.28 A +ATOM 416 CD ARG A 54 52.265 30.192 -1.514 1.00 48.45 A +ATOM 417 NE ARG A 54 52.190 31.169 -2.600 1.00 48.99 A +ATOM 418 CZ ARG A 54 51.587 30.950 -3.762 1.00 50.30 A +ATOM 419 NH1 ARG A 54 51.003 29.784 -3.995 1.00 55.44 A +ATOM 420 NH2 ARG A 54 51.561 31.900 -4.690 1.00 50.32 A +ATOM 421 N GLN A 55 57.598 31.720 -0.770 1.00 57.14 A +ATOM 422 CA GLN A 55 59.009 31.389 -0.949 1.00 61.74 A +ATOM 423 C GLN A 55 59.881 31.829 0.225 1.00 61.52 A +ATOM 424 O GLN A 55 60.986 31.323 0.406 1.00 63.19 A +ATOM 425 CB GLN A 55 59.543 32.006 -2.251 1.00 63.27 A +ATOM 426 CG GLN A 55 59.621 33.528 -2.260 1.00 67.67 A +ATOM 427 CD GLN A 55 58.262 34.201 -2.374 1.00 68.71 A +ATOM 428 OE1 GLN A 55 58.163 35.425 -2.318 1.00 70.81 A +ATOM 429 NE2 GLN A 55 57.212 33.405 -2.543 1.00 67.35 A +ATOM 430 N LEU A 56 59.381 32.764 1.028 1.00 60.83 A +ATOM 431 CA LEU A 56 60.135 33.260 2.174 1.00 57.00 A +ATOM 432 C LEU A 56 59.832 32.513 3.472 1.00 56.64 A +ATOM 433 O LEU A 56 60.470 32.761 4.494 1.00 55.56 A +ATOM 434 CB LEU A 56 59.870 34.753 2.375 1.00 54.72 A +ATOM 435 CG LEU A 56 60.260 35.665 1.211 1.00 57.15 A +ATOM 436 CD1 LEU A 56 60.070 37.123 1.605 1.00 54.65 A +ATOM 437 CD2 LEU A 56 61.714 35.406 0.831 1.00 58.41 A +ATOM 438 N SER A 57 58.867 31.599 3.436 1.00 56.84 A +ATOM 439 CA SER A 57 58.504 30.842 4.632 1.00 56.90 A +ATOM 440 C SER A 57 59.004 29.408 4.570 1.00 56.64 A +ATOM 441 O SER A 57 58.661 28.663 3.650 1.00 57.64 A +ATOM 442 CB SER A 57 56.987 30.839 4.828 1.00 55.44 A +ATOM 443 OG SER A 57 56.635 30.033 5.940 1.00 51.37 A +ATOM 444 N SER A 58 59.795 29.021 5.568 1.00 56.71 A +ATOM 445 CA SER A 58 60.366 27.679 5.630 1.00 56.89 A +ATOM 446 C SER A 58 59.380 26.609 6.082 1.00 57.03 A +ATOM 447 O SER A 58 59.658 25.417 5.964 1.00 56.69 A +ATOM 448 CB SER A 58 61.577 27.665 6.565 1.00 56.84 A +ATOM 449 OG SER A 58 61.180 27.841 7.912 1.00 58.05 A +ATOM 450 N THR A 59 58.233 27.027 6.602 1.00 57.05 A +ATOM 451 CA THR A 59 57.231 26.076 7.070 1.00 55.57 A +ATOM 452 C THR A 59 56.089 25.898 6.074 1.00 55.49 A +ATOM 453 O THR A 59 55.205 25.061 6.272 1.00 54.21 A +ATOM 454 CB THR A 59 56.652 26.512 8.425 1.00 56.45 A +ATOM 455 OG1 THR A 59 56.346 27.911 8.381 1.00 54.90 A +ATOM 456 CG2 THR A 59 57.652 26.246 9.540 1.00 56.85 A +ATOM 457 N TYR A 60 56.115 26.683 5.002 1.00 55.36 A +ATOM 458 CA TYR A 60 55.086 26.599 3.975 1.00 57.44 A +ATOM 459 C TYR A 60 55.071 25.244 3.280 1.00 57.78 A +ATOM 460 O TYR A 60 56.112 24.737 2.867 1.00 57.46 A +ATOM 461 CB TYR A 60 55.293 27.681 2.916 1.00 58.63 A +ATOM 462 CG TYR A 60 54.454 27.451 1.677 1.00 60.41 A +ATOM 463 CD1 TYR A 60 53.072 27.583 1.715 1.00 60.24 A +ATOM 464 CD2 TYR A 60 55.041 27.068 0.479 1.00 60.44 A +ATOM 465 CE1 TYR A 60 52.298 27.338 0.596 1.00 60.08 A +ATOM 466 CE2 TYR A 60 54.276 26.817 -0.644 1.00 60.65 A +ATOM 467 CZ TYR A 60 52.907 26.954 -0.580 1.00 61.43 A +ATOM 468 OH TYR A 60 52.143 26.700 -1.693 1.00 61.70 A +ATOM 469 N ARG A 61 53.883 24.664 3.155 1.00 56.92 A +ATOM 470 CA ARG A 61 53.720 23.382 2.482 1.00 59.76 A +ATOM 471 C ARG A 61 52.682 23.560 1.379 1.00 62.22 A +ATOM 472 O ARG A 61 51.622 24.145 1.604 1.00 61.88 A +ATOM 473 CB ARG A 61 53.243 22.304 3.458 1.00 59.22 A +ATOM 474 CG ARG A 61 54.201 21.996 4.595 1.00 57.80 A +ATOM 475 CD ARG A 61 53.647 20.872 5.453 1.00 60.00 A +ATOM 476 NE ARG A 61 54.397 20.681 6.691 1.00 59.25 A +ATOM 477 CZ ARG A 61 53.996 19.891 7.681 1.00 62.10 A +ATOM 478 NH1 ARG A 61 52.855 19.223 7.571 1.00 60.07 A +ATOM 479 NH2 ARG A 61 54.727 19.774 8.784 1.00 62.79 A +ATOM 480 N ASP A 62 52.990 23.059 0.188 1.00 62.48 A +ATOM 481 CA ASP A 62 52.078 23.171 -0.943 1.00 62.92 A +ATOM 482 C ASP A 62 51.102 21.998 -0.922 1.00 61.78 A +ATOM 483 O ASP A 62 51.490 20.868 -0.638 1.00 62.85 A +ATOM 484 CB ASP A 62 52.867 23.157 -2.254 1.00 65.45 A +ATOM 485 CG ASP A 62 52.069 23.694 -3.424 1.00 68.08 A +ATOM 486 OD1 ASP A 62 50.876 23.346 -3.551 1.00 68.13 A +ATOM 487 OD2 ASP A 62 52.640 24.460 -4.228 1.00 68.51 A +ATOM 488 N LEU A 63 49.834 22.270 -1.209 1.00 61.15 A +ATOM 489 CA LEU A 63 48.821 21.222 -1.230 1.00 60.63 A +ATOM 490 C LEU A 63 48.521 20.804 -2.668 1.00 61.20 A +ATOM 491 O LEU A 63 47.772 19.858 -2.912 1.00 62.25 A +ATOM 492 CB LEU A 63 47.538 21.705 -0.546 1.00 58.87 A +ATOM 493 CG LEU A 63 47.612 21.859 0.976 1.00 57.09 A +ATOM 494 CD1 LEU A 63 46.280 22.362 1.512 1.00 56.71 A +ATOM 495 CD2 LEU A 63 47.963 20.520 1.600 1.00 55.70 A +ATOM 496 N ARG A 64 49.113 21.522 -3.615 1.00 61.25 A +ATOM 497 CA ARG A 64 48.936 21.233 -5.031 1.00 62.63 A +ATOM 498 C ARG A 64 47.467 21.107 -5.408 1.00 62.05 A +ATOM 499 O ARG A 64 47.047 20.111 -5.999 1.00 60.30 A +ATOM 500 CB ARG A 64 49.692 19.955 -5.394 1.00 64.36 A +ATOM 501 CG ARG A 64 51.201 20.088 -5.241 1.00 71.46 A +ATOM 502 CD ARG A 64 51.915 18.768 -5.491 1.00 79.35 A +ATOM 503 NE ARG A 64 51.687 17.798 -4.421 1.00 84.42 A +ATOM 504 CZ ARG A 64 52.136 17.936 -3.176 1.00 86.60 A +ATOM 505 NH1 ARG A 64 52.840 19.007 -2.837 1.00 87.12 A +ATOM 506 NH2 ARG A 64 51.884 17.000 -2.270 1.00 87.14 A +ATOM 507 N LYS A 65 46.695 22.130 -5.059 1.00 59.80 A +ATOM 508 CA LYS A 65 45.271 22.162 -5.361 1.00 57.99 A +ATOM 509 C LYS A 65 44.806 23.609 -5.511 1.00 56.08 A +ATOM 510 O LYS A 65 45.215 24.491 -4.748 1.00 54.21 A +ATOM 511 CB LYS A 65 44.479 21.468 -4.249 1.00 60.34 A +ATOM 512 CG LYS A 65 42.988 21.368 -4.530 1.00 65.61 A +ATOM 513 CD LYS A 65 42.249 20.600 -3.441 1.00 68.38 A +ATOM 514 CE LYS A 65 42.572 19.113 -3.466 1.00 69.95 A +ATOM 515 NZ LYS A 65 44.005 18.830 -3.178 1.00 73.44 A +ATOM 516 N GLY A 66 43.956 23.848 -6.505 1.00 49.35 A +ATOM 517 CA GLY A 66 43.455 25.187 -6.742 1.00 44.89 A +ATOM 518 C GLY A 66 42.220 25.460 -5.908 1.00 41.82 A +ATOM 519 O GLY A 66 41.654 24.547 -5.309 1.00 42.71 A +ATOM 520 N VAL A 67 41.803 26.718 -5.860 1.00 40.74 A +ATOM 521 CA VAL A 67 40.622 27.084 -5.090 1.00 39.85 A +ATOM 522 C VAL A 67 40.083 28.418 -5.552 1.00 40.78 A +ATOM 523 O VAL A 67 40.833 29.313 -5.944 1.00 43.71 A +ATOM 524 CB VAL A 67 40.925 27.169 -3.568 1.00 40.68 A +ATOM 525 CG1 VAL A 67 41.986 28.221 -3.297 1.00 38.29 A +ATOM 526 CG2 VAL A 67 39.648 27.505 -2.801 1.00 41.01 A +ATOM 527 N TYR A 68 38.765 28.537 -5.506 1.00 40.29 A +ATOM 528 CA TYR A 68 38.080 29.750 -5.909 1.00 41.28 A +ATOM 529 C TYR A 68 36.964 29.979 -4.891 1.00 41.26 A +ATOM 530 O TYR A 68 36.362 29.026 -4.417 1.00 37.10 A +ATOM 531 CB TYR A 68 37.490 29.553 -7.312 1.00 42.99 A +ATOM 532 CG TYR A 68 36.339 30.472 -7.633 1.00 44.56 A +ATOM 533 CD1 TYR A 68 36.556 31.798 -7.963 1.00 49.98 A +ATOM 534 CD2 TYR A 68 35.030 30.015 -7.578 1.00 47.18 A +ATOM 535 CE1 TYR A 68 35.503 32.646 -8.230 1.00 51.92 A +ATOM 536 CE2 TYR A 68 33.967 30.854 -7.841 1.00 46.45 A +ATOM 537 CZ TYR A 68 34.209 32.170 -8.168 1.00 51.95 A +ATOM 538 OH TYR A 68 33.158 33.016 -8.444 1.00 57.79 A +ATOM 539 N VAL A 69 36.703 31.234 -4.543 1.00 44.20 A +ATOM 540 CA VAL A 69 35.636 31.543 -3.591 1.00 39.66 A +ATOM 541 C VAL A 69 34.864 32.781 -4.011 1.00 39.58 A +ATOM 542 O VAL A 69 35.427 33.873 -4.110 1.00 38.22 A +ATOM 543 CB VAL A 69 36.176 31.786 -2.155 1.00 40.39 A +ATOM 544 CG1 VAL A 69 35.044 32.253 -1.252 1.00 37.59 A +ATOM 545 CG2 VAL A 69 36.780 30.515 -1.596 1.00 32.29 A +ATOM 546 N PRO A 70 33.561 32.620 -4.292 1.00 39.18 A +ATOM 547 CA PRO A 70 32.696 33.728 -4.699 1.00 38.93 A +ATOM 548 C PRO A 70 31.898 34.230 -3.489 1.00 39.89 A +ATOM 549 O PRO A 70 31.351 33.431 -2.729 1.00 41.83 A +ATOM 550 CB PRO A 70 31.800 33.083 -5.740 1.00 38.12 A +ATOM 551 CG PRO A 70 31.541 31.736 -5.115 1.00 36.23 A +ATOM 552 CD PRO A 70 32.909 31.324 -4.562 1.00 38.12 A +ATOM 553 N TYR A 71 31.840 35.548 -3.318 1.00 37.74 A +ATOM 554 CA TYR A 71 31.097 36.159 -2.217 1.00 40.06 A +ATOM 555 C TYR A 71 29.944 36.965 -2.806 1.00 41.77 A +ATOM 556 O TYR A 71 29.842 37.109 -4.025 1.00 40.36 A +ATOM 557 CB TYR A 71 32.008 37.101 -1.415 1.00 37.92 A +ATOM 558 CG TYR A 71 33.228 36.437 -0.815 1.00 37.49 A +ATOM 559 CD1 TYR A 71 33.138 35.682 0.347 1.00 36.39 A +ATOM 560 CD2 TYR A 71 34.475 36.586 -1.403 1.00 33.79 A +ATOM 561 CE1 TYR A 71 34.268 35.102 0.914 1.00 35.88 A +ATOM 562 CE2 TYR A 71 35.597 36.012 -0.853 1.00 37.49 A +ATOM 563 CZ TYR A 71 35.494 35.275 0.303 1.00 38.42 A +ATOM 564 OH TYR A 71 36.629 34.720 0.846 1.00 39.49 A +ATOM 565 N THR A 72 29.074 37.490 -1.948 1.00 39.56 A +ATOM 566 CA THR A 72 27.954 38.297 -2.418 1.00 38.43 A +ATOM 567 C THR A 72 28.514 39.345 -3.373 1.00 39.85 A +ATOM 568 O THR A 72 27.939 39.633 -4.423 1.00 37.59 A +ATOM 569 CB THR A 72 27.258 39.009 -1.247 1.00 39.28 A +ATOM 570 OG1 THR A 72 26.727 38.029 -0.350 1.00 41.47 A +ATOM 571 CG2 THR A 72 26.130 39.901 -1.755 1.00 39.07 A +ATOM 572 N GLN A 73 29.647 39.914 -2.990 1.00 37.92 A +ATOM 573 CA GLN A 73 30.328 40.913 -3.796 1.00 40.57 A +ATOM 574 C GLN A 73 31.821 40.645 -3.664 1.00 43.69 A +ATOM 575 O GLN A 73 32.386 40.715 -2.566 1.00 43.14 A +ATOM 576 CB GLN A 73 29.986 42.323 -3.311 1.00 45.66 A +ATOM 577 CG GLN A 73 28.596 42.785 -3.728 1.00 53.97 A +ATOM 578 CD GLN A 73 28.149 44.053 -3.016 1.00 60.06 A +ATOM 579 OE1 GLN A 73 28.907 45.019 -2.899 1.00 63.06 A +ATOM 580 NE2 GLN A 73 26.905 44.057 -2.546 1.00 61.88 A +ATOM 581 N GLY A 74 32.449 40.317 -4.787 1.00 41.01 A +ATOM 582 CA GLY A 74 33.868 40.024 -4.783 1.00 38.51 A +ATOM 583 C GLY A 74 34.130 38.535 -4.891 1.00 39.90 A +ATOM 584 O GLY A 74 33.295 37.707 -4.515 1.00 38.54 A +ATOM 585 N LYS A 75 35.302 38.192 -5.408 1.00 38.75 A +ATOM 586 CA LYS A 75 35.682 36.802 -5.565 1.00 38.89 A +ATOM 587 C LYS A 75 37.179 36.739 -5.777 1.00 36.67 A +ATOM 588 O LYS A 75 37.795 37.720 -6.178 1.00 39.29 A +ATOM 589 CB LYS A 75 34.979 36.195 -6.781 1.00 44.69 A +ATOM 590 CG LYS A 75 35.362 36.878 -8.082 1.00 51.87 A +ATOM 591 CD LYS A 75 34.789 36.165 -9.296 1.00 57.38 A +ATOM 592 CE LYS A 75 33.286 36.312 -9.379 1.00 59.61 A +ATOM 593 NZ LYS A 75 32.765 35.675 -10.617 1.00 59.82 A +ATOM 594 N TRP A 76 37.765 35.585 -5.494 1.00 34.84 A +ATOM 595 CA TRP A 76 39.191 35.403 -5.698 1.00 38.05 A +ATOM 596 C TRP A 76 39.462 33.929 -5.940 1.00 38.34 A +ATOM 597 O TRP A 76 38.641 33.072 -5.628 1.00 40.10 A +ATOM 598 CB TRP A 76 39.993 35.889 -4.480 1.00 35.27 A +ATOM 599 CG TRP A 76 39.600 35.253 -3.180 1.00 34.00 A +ATOM 600 CD1 TRP A 76 38.826 35.803 -2.195 1.00 31.55 A +ATOM 601 CD2 TRP A 76 39.941 33.934 -2.730 1.00 34.79 A +ATOM 602 NE1 TRP A 76 38.665 34.908 -1.160 1.00 31.85 A +ATOM 603 CE2 TRP A 76 39.337 33.752 -1.467 1.00 32.78 A +ATOM 604 CE3 TRP A 76 40.698 32.888 -3.272 1.00 38.18 A +ATOM 605 CZ2 TRP A 76 39.462 32.568 -0.744 1.00 34.82 A +ATOM 606 CZ3 TRP A 76 40.820 31.713 -2.549 1.00 39.83 A +ATOM 607 CH2 TRP A 76 40.204 31.563 -1.299 1.00 39.27 A +ATOM 608 N GLU A 77 40.615 33.638 -6.518 1.00 38.75 A +ATOM 609 CA GLU A 77 40.999 32.261 -6.772 1.00 40.81 A +ATOM 610 C GLU A 77 42.469 32.188 -6.391 1.00 38.04 A +ATOM 611 O GLU A 77 43.164 33.203 -6.407 1.00 38.29 A +ATOM 612 CB GLU A 77 40.790 31.906 -8.250 1.00 39.94 A +ATOM 613 CG GLU A 77 41.648 32.699 -9.221 1.00 44.60 A +ATOM 614 CD GLU A 77 41.354 32.345 -10.676 1.00 49.13 A +ATOM 615 OE1 GLU A 77 42.169 32.702 -11.553 1.00 49.79 A +ATOM 616 OE2 GLU A 77 40.303 31.722 -10.940 1.00 42.19 A +ATOM 617 N GLY A 78 42.942 31.008 -6.023 1.00 39.04 A +ATOM 618 CA GLY A 78 44.333 30.896 -5.645 1.00 43.11 A +ATOM 619 C GLY A 78 44.818 29.478 -5.479 1.00 46.40 A +ATOM 620 O GLY A 78 44.202 28.532 -5.976 1.00 48.61 A +ATOM 621 N GLU A 79 45.925 29.340 -4.756 1.00 48.34 A +ATOM 622 CA GLU A 79 46.551 28.048 -4.520 1.00 51.36 A +ATOM 623 C GLU A 79 46.511 27.661 -3.049 1.00 52.33 A +ATOM 624 O GLU A 79 46.952 28.419 -2.187 1.00 53.98 A +ATOM 625 CB GLU A 79 48.010 28.094 -4.994 1.00 55.58 A +ATOM 626 CG GLU A 79 48.180 28.555 -6.437 1.00 61.75 A +ATOM 627 CD GLU A 79 49.638 28.759 -6.823 1.00 66.98 A +ATOM 628 OE1 GLU A 79 50.433 27.805 -6.686 1.00 69.79 A +ATOM 629 OE2 GLU A 79 49.989 29.873 -7.268 1.00 66.42 A +ATOM 630 N LEU A 80 45.990 26.473 -2.769 1.00 49.19 A +ATOM 631 CA LEU A 80 45.899 25.977 -1.405 1.00 49.21 A +ATOM 632 C LEU A 80 47.236 25.475 -0.872 1.00 51.09 A +ATOM 633 O LEU A 80 48.065 24.950 -1.617 1.00 51.17 A +ATOM 634 CB LEU A 80 44.873 24.849 -1.327 1.00 46.43 A +ATOM 635 CG LEU A 80 43.411 25.275 -1.453 1.00 47.89 A +ATOM 636 CD1 LEU A 80 42.520 24.055 -1.567 1.00 44.08 A +ATOM 637 CD2 LEU A 80 43.034 26.114 -0.236 1.00 49.51 A +ATOM 638 N GLY A 81 47.428 25.637 0.430 1.00 49.96 A +ATOM 639 CA GLY A 81 48.648 25.193 1.077 1.00 48.74 A +ATOM 640 C GLY A 81 48.458 25.292 2.576 1.00 48.50 A +ATOM 641 O GLY A 81 47.349 25.546 3.043 1.00 49.76 A +ATOM 642 N THR A 82 49.523 25.079 3.336 1.00 49.26 A +ATOM 643 CA THR A 82 49.442 25.181 4.787 1.00 49.18 A +ATOM 644 C THR A 82 50.685 25.895 5.277 1.00 50.70 A +ATOM 645 O THR A 82 51.700 25.943 4.580 1.00 50.32 A +ATOM 646 CB THR A 82 49.387 23.806 5.477 1.00 47.71 A +ATOM 647 OG1 THR A 82 50.660 23.166 5.359 1.00 50.77 A +ATOM 648 CG2 THR A 82 48.311 22.930 4.848 1.00 45.34 A +ATOM 649 N ASP A 83 50.601 26.452 6.478 1.00 48.73 A +ATOM 650 CA ASP A 83 51.724 27.156 7.068 1.00 47.67 A +ATOM 651 C ASP A 83 51.372 27.458 8.519 1.00 48.36 A +ATOM 652 O ASP A 83 50.224 27.304 8.930 1.00 45.03 A +ATOM 653 CB ASP A 83 51.994 28.458 6.309 1.00 49.49 A +ATOM 654 CG ASP A 83 53.443 28.908 6.418 1.00 51.41 A +ATOM 655 OD1 ASP A 83 54.099 28.569 7.426 1.00 49.39 A +ATOM 656 OD2 ASP A 83 53.922 29.610 5.502 1.00 49.69 A +ATOM 657 N LEU A 84 52.360 27.886 9.296 1.00 50.34 A +ATOM 658 CA LEU A 84 52.128 28.201 10.697 1.00 48.47 A +ATOM 659 C LEU A 84 51.498 29.581 10.816 1.00 48.63 A +ATOM 660 O LEU A 84 51.901 30.523 10.132 1.00 48.16 A +ATOM 661 CB LEU A 84 53.446 28.139 11.475 1.00 48.81 A +ATOM 662 CG LEU A 84 54.094 26.750 11.495 1.00 50.04 A +ATOM 663 CD1 LEU A 84 55.361 26.772 12.340 1.00 49.37 A +ATOM 664 CD2 LEU A 84 53.102 25.740 12.060 1.00 48.19 A +ATOM 665 N VAL A 85 50.497 29.693 11.683 1.00 48.35 A +ATOM 666 CA VAL A 85 49.798 30.955 11.877 1.00 48.93 A +ATOM 667 C VAL A 85 49.576 31.268 13.352 1.00 47.47 A +ATOM 668 O VAL A 85 49.390 30.368 14.169 1.00 49.88 A +ATOM 669 CB VAL A 85 48.423 30.934 11.172 1.00 49.91 A +ATOM 670 CG1 VAL A 85 47.692 32.243 11.412 1.00 49.92 A +ATOM 671 CG2 VAL A 85 48.608 30.692 9.683 1.00 49.77 A +ATOM 672 N SER A 86 49.594 32.552 13.687 1.00 48.06 A +ATOM 673 CA SER A 86 49.373 32.974 15.059 1.00 48.94 A +ATOM 674 C SER A 86 48.681 34.326 15.056 1.00 46.65 A +ATOM 675 O SER A 86 48.613 34.998 14.027 1.00 47.06 A +ATOM 676 CB SER A 86 50.699 33.082 15.812 1.00 50.98 A +ATOM 677 OG SER A 86 51.454 34.184 15.341 1.00 58.66 A +ATOM 678 N ILE A 87 48.169 34.717 16.217 1.00 44.49 A +ATOM 679 CA ILE A 87 47.477 35.990 16.370 1.00 45.48 A +ATOM 680 C ILE A 87 48.136 36.749 17.519 1.00 46.04 A +ATOM 681 O ILE A 87 47.869 36.475 18.687 1.00 46.06 A +ATOM 682 CB ILE A 87 45.989 35.761 16.695 1.00 44.13 A +ATOM 683 CG1 ILE A 87 45.360 34.878 15.614 1.00 46.34 A +ATOM 684 CG2 ILE A 87 45.263 37.094 16.790 1.00 42.30 A +ATOM 685 CD1 ILE A 87 43.913 34.531 15.871 1.00 45.41 A +ATOM 686 N PRO A 88 49.006 37.717 17.194 1.00 45.38 A +ATOM 687 CA PRO A 88 49.721 38.525 18.185 1.00 47.18 A +ATOM 688 C PRO A 88 48.843 38.934 19.363 1.00 45.72 A +ATOM 689 O PRO A 88 49.185 38.682 20.515 1.00 46.70 A +ATOM 690 CB PRO A 88 50.205 39.717 17.367 1.00 46.18 A +ATOM 691 CG PRO A 88 50.478 39.097 16.036 1.00 48.15 A +ATOM 692 CD PRO A 88 49.250 38.227 15.834 1.00 45.93 A +ATOM 693 N HIS A 89 47.712 39.565 19.068 1.00 43.91 A +ATOM 694 CA HIS A 89 46.794 39.994 20.114 1.00 44.23 A +ATOM 695 C HIS A 89 45.662 38.984 20.248 1.00 43.85 A +ATOM 696 O HIS A 89 44.484 39.316 20.125 1.00 42.98 A +ATOM 697 CB HIS A 89 46.249 41.380 19.787 1.00 45.33 A +ATOM 698 CG HIS A 89 47.321 42.402 19.577 1.00 52.12 A +ATOM 699 ND1 HIS A 89 48.250 42.713 20.548 1.00 53.13 A +ATOM 700 CD2 HIS A 89 47.639 43.155 18.498 1.00 54.41 A +ATOM 701 CE1 HIS A 89 49.094 43.611 20.074 1.00 55.60 A +ATOM 702 NE2 HIS A 89 48.746 43.897 18.833 1.00 57.62 A +ATOM 703 N GLY A 90 46.047 37.740 20.495 1.00 43.71 A +ATOM 704 CA GLY A 90 45.086 36.670 20.655 1.00 43.89 A +ATOM 705 C GLY A 90 45.731 35.647 21.559 1.00 45.95 A +ATOM 706 O GLY A 90 46.683 35.976 22.260 1.00 45.32 A +ATOM 707 N PRO A 91 45.255 34.398 21.560 1.00 47.03 A +ATOM 708 CA PRO A 91 45.856 33.377 22.424 1.00 48.10 A +ATOM 709 C PRO A 91 47.327 33.146 22.072 1.00 48.91 A +ATOM 710 O PRO A 91 47.718 33.258 20.911 1.00 47.78 A +ATOM 711 CB PRO A 91 44.990 32.153 22.155 1.00 48.97 A +ATOM 712 CG PRO A 91 44.613 32.333 20.708 1.00 48.93 A +ATOM 713 CD PRO A 91 44.269 33.804 20.640 1.00 46.68 A +ATOM 714 N ASN A 92 48.137 32.828 23.075 1.00 51.15 A +ATOM 715 CA ASN A 92 49.559 32.593 22.856 1.00 53.86 A +ATOM 716 C ASN A 92 49.796 31.196 22.310 1.00 53.20 A +ATOM 717 O ASN A 92 50.242 30.298 23.026 1.00 52.15 A +ATOM 718 CB ASN A 92 50.332 32.777 24.161 1.00 58.08 A +ATOM 719 CG ASN A 92 50.132 34.153 24.760 1.00 64.53 A +ATOM 720 OD1 ASN A 92 50.298 35.167 24.082 1.00 67.49 A +ATOM 721 ND2 ASN A 92 49.773 34.196 26.039 1.00 67.65 A +ATOM 722 N VAL A 93 49.498 31.011 21.033 1.00 52.92 A +ATOM 723 CA VAL A 93 49.679 29.707 20.429 1.00 54.02 A +ATOM 724 C VAL A 93 49.896 29.810 18.927 1.00 53.35 A +ATOM 725 O VAL A 93 49.613 30.837 18.312 1.00 52.72 A +ATOM 726 CB VAL A 93 48.460 28.807 20.703 1.00 53.85 A +ATOM 727 CG1 VAL A 93 47.281 29.253 19.848 1.00 54.83 A +ATOM 728 CG2 VAL A 93 48.818 27.356 20.444 1.00 58.26 A +ATOM 729 N THR A 94 50.412 28.736 18.346 1.00 52.79 A +ATOM 730 CA THR A 94 50.665 28.683 16.921 1.00 53.25 A +ATOM 731 C THR A 94 50.033 27.415 16.385 1.00 52.30 A +ATOM 732 O THR A 94 50.075 26.373 17.034 1.00 54.77 A +ATOM 733 CB THR A 94 52.168 28.653 16.624 1.00 54.38 A +ATOM 734 OG1 THR A 94 52.784 29.820 17.179 1.00 55.37 A +ATOM 735 CG2 THR A 94 52.411 28.624 15.121 1.00 54.90 A +ATOM 736 N VAL A 95 49.433 27.505 15.206 1.00 51.60 A +ATOM 737 CA VAL A 95 48.798 26.344 14.609 1.00 50.48 A +ATOM 738 C VAL A 95 49.067 26.279 13.118 1.00 48.66 A +ATOM 739 O VAL A 95 49.285 27.303 12.469 1.00 48.40 A +ATOM 740 CB VAL A 95 47.273 26.369 14.830 1.00 52.17 A +ATOM 741 CG1 VAL A 95 46.970 26.417 16.314 1.00 55.81 A +ATOM 742 CG2 VAL A 95 46.664 27.568 14.127 1.00 51.83 A +ATOM 743 N ARG A 96 49.072 25.067 12.579 1.00 47.61 A +ATOM 744 CA ARG A 96 49.280 24.896 11.154 1.00 46.68 A +ATOM 745 C ARG A 96 47.879 24.871 10.580 1.00 46.30 A +ATOM 746 O ARG A 96 47.051 24.050 10.976 1.00 45.59 A +ATOM 747 CB ARG A 96 50.007 23.585 10.853 1.00 50.46 A +ATOM 748 CG ARG A 96 50.137 23.287 9.364 1.00 51.97 A +ATOM 749 CD ARG A 96 51.104 22.142 9.108 1.00 56.18 A +ATOM 750 NE ARG A 96 52.495 22.565 9.237 1.00 54.55 A +ATOM 751 CZ ARG A 96 53.118 23.345 8.360 1.00 56.00 A +ATOM 752 NH1 ARG A 96 52.475 23.787 7.287 1.00 52.92 A +ATOM 753 NH2 ARG A 96 54.385 23.683 8.553 1.00 56.66 A +ATOM 754 N ALA A 97 47.602 25.785 9.664 1.00 44.26 A +ATOM 755 CA ALA A 97 46.274 25.851 9.088 1.00 46.13 A +ATOM 756 C ALA A 97 46.290 25.966 7.579 1.00 44.44 A +ATOM 757 O ALA A 97 47.320 26.265 6.966 1.00 42.77 A +ATOM 758 CB ALA A 97 45.515 27.029 9.685 1.00 44.47 A +ATOM 759 N ASN A 98 45.129 25.723 6.990 1.00 41.91 A +ATOM 760 CA ASN A 98 44.968 25.823 5.553 1.00 43.49 A +ATOM 761 C ASN A 98 44.995 27.293 5.180 1.00 44.02 A +ATOM 762 O ASN A 98 44.402 28.128 5.862 1.00 44.38 A +ATOM 763 CB ASN A 98 43.637 25.195 5.140 1.00 42.99 A +ATOM 764 CG ASN A 98 43.664 23.680 5.226 1.00 47.56 A +ATOM 765 OD1 ASN A 98 42.680 23.043 5.599 1.00 48.98 A +ATOM 766 ND2 ASN A 98 44.798 23.095 4.871 1.00 43.11 A +ATOM 767 N ILE A 99 45.709 27.616 4.112 1.00 42.65 A +ATOM 768 CA ILE A 99 45.784 28.994 3.655 1.00 44.10 A +ATOM 769 C ILE A 99 45.671 29.044 2.143 1.00 46.54 A +ATOM 770 O ILE A 99 46.390 28.339 1.433 1.00 46.79 A +ATOM 771 CB ILE A 99 47.111 29.653 4.036 1.00 45.76 A +ATOM 772 CG1 ILE A 99 47.349 29.537 5.538 1.00 46.94 A +ATOM 773 CG2 ILE A 99 47.085 31.116 3.636 1.00 47.26 A +ATOM 774 CD1 ILE A 99 48.662 30.140 5.972 1.00 49.48 A +ATOM 775 N ALA A 100 44.764 29.875 1.649 1.00 44.54 A +ATOM 776 CA ALA A 100 44.597 30.020 0.216 1.00 44.40 A +ATOM 777 C ALA A 100 45.388 31.246 -0.217 1.00 45.02 A +ATOM 778 O ALA A 100 45.098 32.360 0.205 1.00 43.74 A +ATOM 779 CB ALA A 100 43.120 30.185 -0.134 1.00 41.15 A +ATOM 780 N ALA A 101 46.408 31.029 -1.040 1.00 46.83 A +ATOM 781 CA ALA A 101 47.226 32.127 -1.538 1.00 47.41 A +ATOM 782 C ALA A 101 46.519 32.752 -2.736 1.00 46.67 A +ATOM 783 O ALA A 101 46.465 32.157 -3.813 1.00 45.57 A +ATOM 784 CB ALA A 101 48.601 31.611 -1.947 1.00 49.43 A +ATOM 785 N ILE A 102 45.983 33.954 -2.548 1.00 44.71 A +ATOM 786 CA ILE A 102 45.266 34.639 -3.619 1.00 45.34 A +ATOM 787 C ILE A 102 46.194 35.125 -4.733 1.00 46.58 A +ATOM 788 O ILE A 102 47.102 35.926 -4.501 1.00 45.22 A +ATOM 789 CB ILE A 102 44.462 35.832 -3.066 1.00 42.48 A +ATOM 790 CG1 ILE A 102 43.488 35.342 -1.994 1.00 44.26 A +ATOM 791 CG2 ILE A 102 43.694 36.515 -4.188 1.00 40.84 A +ATOM 792 CD1 ILE A 102 42.644 36.445 -1.382 1.00 44.29 A +ATOM 793 N THR A 103 45.951 34.638 -5.946 1.00 46.21 A +ATOM 794 CA THR A 103 46.765 35.004 -7.104 1.00 47.15 A +ATOM 795 C THR A 103 45.987 35.883 -8.074 1.00 48.20 A +ATOM 796 O THR A 103 46.568 36.633 -8.860 1.00 45.92 A +ATOM 797 CB THR A 103 47.240 33.751 -7.845 1.00 48.50 A +ATOM 798 OG1 THR A 103 46.104 32.958 -8.209 1.00 51.54 A +ATOM 799 CG2 THR A 103 48.159 32.929 -6.954 1.00 46.73 A +ATOM 800 N GLU A 104 44.665 35.778 -8.017 1.00 47.14 A +ATOM 801 CA GLU A 104 43.791 36.571 -8.869 1.00 47.53 A +ATOM 802 C GLU A 104 42.536 36.913 -8.088 1.00 43.21 A +ATOM 803 O GLU A 104 42.035 36.086 -7.332 1.00 44.41 A +ATOM 804 CB GLU A 104 43.394 35.787 -10.117 1.00 54.01 A +ATOM 805 CG GLU A 104 44.441 35.694 -11.203 1.00 60.24 A +ATOM 806 CD GLU A 104 43.858 35.127 -12.486 1.00 67.07 A +ATOM 807 OE1 GLU A 104 42.952 35.769 -13.061 1.00 62.47 A +ATOM 808 OE2 GLU A 104 44.297 34.039 -12.914 1.00 70.26 A +ATOM 809 N SER A 105 42.019 38.121 -8.281 1.00 42.84 A +ATOM 810 CA SER A 105 40.817 38.530 -7.571 1.00 42.25 A +ATOM 811 C SER A 105 40.041 39.558 -8.369 1.00 43.39 A +ATOM 812 O SER A 105 40.574 40.165 -9.296 1.00 43.23 A +ATOM 813 CB SER A 105 41.185 39.100 -6.196 1.00 41.97 A +ATOM 814 OG SER A 105 42.010 40.247 -6.320 1.00 41.97 A +ATOM 815 N ASP A 106 38.781 39.755 -7.992 1.00 41.78 A +ATOM 816 CA ASP A 106 37.908 40.700 -8.674 1.00 43.20 A +ATOM 817 C ASP A 106 36.949 41.364 -7.679 1.00 43.45 A +ATOM 818 O ASP A 106 36.059 40.709 -7.138 1.00 43.54 A +ATOM 819 CB ASP A 106 37.102 39.960 -9.746 1.00 44.97 A +ATOM 820 CG ASP A 106 36.227 40.887 -10.566 1.00 49.29 A +ATOM 821 OD1 ASP A 106 35.049 40.537 -10.794 1.00 53.21 A +ATOM 822 OD2 ASP A 106 36.714 41.955 -10.992 1.00 49.45 A +ATOM 823 N LYS A 107 37.131 42.660 -7.447 1.00 42.44 A +ATOM 824 CA LYS A 107 36.282 43.405 -6.524 1.00 44.37 A +ATOM 825 C LYS A 107 36.302 42.832 -5.102 1.00 41.62 A +ATOM 826 O LYS A 107 35.324 42.946 -4.367 1.00 41.81 A +ATOM 827 CB LYS A 107 34.842 43.433 -7.053 1.00 50.13 A +ATOM 828 CG LYS A 107 34.718 43.944 -8.484 1.00 54.10 A +ATOM 829 CD LYS A 107 33.262 44.104 -8.899 1.00 60.93 A +ATOM 830 CE LYS A 107 32.453 42.834 -8.650 1.00 67.45 A +ATOM 831 NZ LYS A 107 32.958 41.648 -9.402 1.00 70.75 A +ATOM 832 N PHE A 108 37.418 42.216 -4.723 1.00 38.07 A +ATOM 833 CA PHE A 108 37.567 41.635 -3.394 1.00 37.14 A +ATOM 834 C PHE A 108 38.327 42.619 -2.502 1.00 40.70 A +ATOM 835 O PHE A 108 37.773 43.152 -1.538 1.00 37.22 A +ATOM 836 CB PHE A 108 38.320 40.309 -3.486 1.00 33.99 A +ATOM 837 CG PHE A 108 38.626 39.688 -2.154 1.00 34.85 A +ATOM 838 CD1 PHE A 108 37.610 39.224 -1.339 1.00 33.99 A +ATOM 839 CD2 PHE A 108 39.933 39.581 -1.709 1.00 35.14 A +ATOM 840 CE1 PHE A 108 37.890 38.670 -0.107 1.00 36.62 A +ATOM 841 CE2 PHE A 108 40.218 39.028 -0.475 1.00 39.25 A +ATOM 842 CZ PHE A 108 39.191 38.571 0.328 1.00 34.50 A +ATOM 843 N PHE A 109 39.591 42.868 -2.828 1.00 39.44 A +ATOM 844 CA PHE A 109 40.397 43.803 -2.050 1.00 40.35 A +ATOM 845 C PHE A 109 39.846 45.207 -2.191 1.00 41.22 A +ATOM 846 O PHE A 109 39.399 45.605 -3.267 1.00 39.61 A +ATOM 847 CB PHE A 109 41.859 43.763 -2.504 1.00 40.44 A +ATOM 848 CG PHE A 109 42.517 42.430 -2.287 1.00 42.10 A +ATOM 849 CD1 PHE A 109 42.941 41.668 -3.360 1.00 40.78 A +ATOM 850 CD2 PHE A 109 42.670 41.924 -1.006 1.00 41.93 A +ATOM 851 CE1 PHE A 109 43.503 40.423 -3.160 1.00 40.41 A +ATOM 852 CE2 PHE A 109 43.230 40.680 -0.799 1.00 41.44 A +ATOM 853 CZ PHE A 109 43.647 39.926 -1.883 1.00 41.24 A +ATOM 854 N ILE A 110 39.873 45.956 -1.094 1.00 43.29 A +ATOM 855 CA ILE A 110 39.361 47.322 -1.087 1.00 41.53 A +ATOM 856 C ILE A 110 40.500 48.323 -0.932 1.00 43.70 A +ATOM 857 O ILE A 110 41.324 48.206 -0.029 1.00 45.17 A +ATOM 858 CB ILE A 110 38.359 47.526 0.069 1.00 42.74 A +ATOM 859 CG1 ILE A 110 37.232 46.501 -0.044 1.00 42.29 A +ATOM 860 CG2 ILE A 110 37.804 48.947 0.045 1.00 40.15 A +ATOM 861 CD1 ILE A 110 36.146 46.684 0.985 1.00 44.23 A +ATOM 862 N ASN A 111 40.532 49.312 -1.813 1.00 45.67 A +ATOM 863 CA ASN A 111 41.576 50.323 -1.789 1.00 48.70 A +ATOM 864 C ASN A 111 41.570 51.149 -0.502 1.00 48.96 A +ATOM 865 O ASN A 111 40.593 51.829 -0.197 1.00 47.85 A +ATOM 866 CB ASN A 111 41.427 51.240 -3.007 1.00 50.61 A +ATOM 867 CG ASN A 111 42.510 52.298 -3.078 1.00 54.12 A +ATOM 868 OD1 ASN A 111 43.670 52.038 -2.764 1.00 54.86 A +ATOM 869 ND2 ASN A 111 42.137 53.495 -3.506 1.00 55.55 A +ATOM 870 N GLY A 112 42.662 51.064 0.255 1.00 51.47 A +ATOM 871 CA GLY A 112 42.782 51.815 1.493 1.00 52.84 A +ATOM 872 C GLY A 112 42.116 51.201 2.714 1.00 53.55 A +ATOM 873 O GLY A 112 41.961 51.867 3.736 1.00 53.64 A +ATOM 874 N SER A 113 41.731 49.933 2.615 1.00 51.55 A +ATOM 875 CA SER A 113 41.069 49.238 3.718 1.00 50.29 A +ATOM 876 C SER A 113 42.069 48.854 4.802 1.00 49.33 A +ATOM 877 O SER A 113 41.719 48.771 5.979 1.00 50.15 A +ATOM 878 CB SER A 113 40.405 47.967 3.207 1.00 48.78 A +ATOM 879 OG SER A 113 41.404 47.023 2.869 1.00 43.76 A +ATOM 880 N ASN A 114 43.302 48.594 4.375 1.00 44.82 A +ATOM 881 CA ASN A 114 44.411 48.209 5.247 1.00 42.61 A +ATOM 882 C ASN A 114 44.483 46.720 5.574 1.00 42.76 A +ATOM 883 O ASN A 114 45.229 46.321 6.476 1.00 40.11 A +ATOM 884 CB ASN A 114 44.394 49.004 6.561 1.00 46.32 A +ATOM 885 CG ASN A 114 45.764 49.060 7.222 1.00 47.80 A +ATOM 886 OD1 ASN A 114 45.881 49.159 8.445 1.00 48.96 A +ATOM 887 ND2 ASN A 114 46.810 49.010 6.406 1.00 42.54 A +ATOM 888 N TRP A 115 43.698 45.894 4.877 1.00 37.59 A +ATOM 889 CA TRP A 115 43.766 44.454 5.105 1.00 36.95 A +ATOM 890 C TRP A 115 44.191 43.757 3.824 1.00 36.25 A +ATOM 891 O TRP A 115 43.924 44.241 2.726 1.00 35.97 A +ATOM 892 CB TRP A 115 42.444 43.869 5.641 1.00 38.43 A +ATOM 893 CG TRP A 115 41.193 44.220 4.901 1.00 37.95 A +ATOM 894 CD1 TRP A 115 40.325 45.231 5.194 1.00 39.52 A +ATOM 895 CD2 TRP A 115 40.635 43.526 3.775 1.00 37.91 A +ATOM 896 NE1 TRP A 115 39.259 45.209 4.325 1.00 39.45 A +ATOM 897 CE2 TRP A 115 39.426 44.173 3.444 1.00 40.79 A +ATOM 898 CE3 TRP A 115 41.041 42.424 3.018 1.00 41.08 A +ATOM 899 CZ2 TRP A 115 38.619 43.752 2.386 1.00 38.32 A +ATOM 900 CZ3 TRP A 115 40.236 42.007 1.965 1.00 40.90 A +ATOM 901 CH2 TRP A 115 39.040 42.672 1.662 1.00 38.34 A +ATOM 902 N GLU A 116 44.872 42.626 3.976 1.00 36.65 A +ATOM 903 CA GLU A 116 45.386 41.880 2.836 1.00 40.02 A +ATOM 904 C GLU A 116 44.962 40.416 2.815 1.00 39.02 A +ATOM 905 O GLU A 116 45.486 39.629 2.031 1.00 37.05 A +ATOM 906 CB GLU A 116 46.915 41.951 2.832 1.00 39.29 A +ATOM 907 CG GLU A 116 47.457 43.365 2.880 1.00 42.58 A +ATOM 908 CD GLU A 116 47.580 43.902 4.294 1.00 42.25 A +ATOM 909 OE1 GLU A 116 47.358 45.115 4.477 1.00 46.72 A +ATOM 910 OE2 GLU A 116 47.916 43.123 5.215 1.00 40.36 A +ATOM 911 N GLY A 117 44.022 40.056 3.679 1.00 34.18 A +ATOM 912 CA GLY A 117 43.573 38.680 3.736 1.00 34.10 A +ATOM 913 C GLY A 117 42.213 38.566 4.393 1.00 34.37 A +ATOM 914 O GLY A 117 41.646 39.563 4.848 1.00 33.45 A +ATOM 915 N ILE A 118 41.679 37.353 4.450 1.00 34.68 A +ATOM 916 CA ILE A 118 40.373 37.156 5.048 1.00 32.95 A +ATOM 917 C ILE A 118 40.339 35.889 5.878 1.00 33.85 A +ATOM 918 O ILE A 118 40.918 34.869 5.504 1.00 35.00 A +ATOM 919 CB ILE A 118 39.273 37.103 3.964 1.00 35.79 A +ATOM 920 CG1 ILE A 118 37.896 36.943 4.619 1.00 35.12 A +ATOM 921 CG2 ILE A 118 39.550 35.959 2.996 1.00 34.56 A +ATOM 922 CD1 ILE A 118 36.741 37.237 3.678 1.00 36.38 A +ATOM 923 N LEU A 119 39.668 35.974 7.022 1.00 31.22 A +ATOM 924 CA LEU A 119 39.547 34.845 7.933 1.00 34.84 A +ATOM 925 C LEU A 119 38.090 34.410 8.001 1.00 36.40 A +ATOM 926 O LEU A 119 37.270 35.059 8.656 1.00 34.70 A +ATOM 927 CB LEU A 119 40.028 35.237 9.336 1.00 34.23 A +ATOM 928 CG LEU A 119 39.941 34.161 10.422 1.00 39.59 A +ATOM 929 CD1 LEU A 119 40.782 32.973 10.023 1.00 41.12 A +ATOM 930 CD2 LEU A 119 40.409 34.723 11.761 1.00 40.58 A +ATOM 931 N GLY A 120 37.774 33.319 7.310 1.00 36.68 A +ATOM 932 CA GLY A 120 36.418 32.802 7.318 1.00 33.78 A +ATOM 933 C GLY A 120 36.215 32.050 8.614 1.00 33.05 A +ATOM 934 O GLY A 120 36.866 31.037 8.860 1.00 36.40 A +ATOM 935 N LEU A 121 35.303 32.536 9.448 1.00 33.65 A +ATOM 936 CA LEU A 121 35.066 31.912 10.736 1.00 32.53 A +ATOM 937 C LEU A 121 33.874 30.964 10.796 1.00 33.12 A +ATOM 938 O LEU A 121 33.580 30.428 11.860 1.00 32.67 A +ATOM 939 CB LEU A 121 34.919 33.003 11.808 1.00 32.09 A +ATOM 940 CG LEU A 121 36.185 33.824 12.089 1.00 33.46 A +ATOM 941 CD1 LEU A 121 35.833 35.135 12.786 1.00 30.43 A +ATOM 942 CD2 LEU A 121 37.143 32.996 12.927 1.00 29.61 A +ATOM 943 N ALA A 122 33.192 30.750 9.670 1.00 34.03 A +ATOM 944 CA ALA A 122 32.037 29.851 9.657 1.00 34.65 A +ATOM 945 C ALA A 122 32.475 28.391 9.558 1.00 37.15 A +ATOM 946 O ALA A 122 33.660 28.092 9.673 1.00 37.77 A +ATOM 947 CB ALA A 122 31.097 30.209 8.512 1.00 34.65 A +ATOM 948 N TYR A 123 31.530 27.483 9.320 1.00 33.92 A +ATOM 949 CA TYR A 123 31.857 26.058 9.275 1.00 32.59 A +ATOM 950 C TYR A 123 32.317 25.456 7.947 1.00 33.08 A +ATOM 951 O TYR A 123 32.101 26.015 6.873 1.00 31.48 A +ATOM 952 CB TYR A 123 30.681 25.248 9.824 1.00 31.12 A +ATOM 953 CG TYR A 123 30.214 25.713 11.189 1.00 32.30 A +ATOM 954 CD1 TYR A 123 29.239 26.694 11.317 1.00 32.11 A +ATOM 955 CD2 TYR A 123 30.726 25.146 12.350 1.00 31.83 A +ATOM 956 CE1 TYR A 123 28.777 27.090 12.570 1.00 31.54 A +ATOM 957 CE2 TYR A 123 30.274 25.535 13.599 1.00 33.79 A +ATOM 958 CZ TYR A 123 29.300 26.501 13.707 1.00 33.53 A +ATOM 959 OH TYR A 123 28.836 26.867 14.956 1.00 33.31 A +ATOM 960 N ALA A 124 32.942 24.286 8.046 1.00 37.69 A +ATOM 961 CA ALA A 124 33.486 23.577 6.892 1.00 39.75 A +ATOM 962 C ALA A 124 32.493 23.304 5.768 1.00 42.01 A +ATOM 963 O ALA A 124 32.881 23.225 4.600 1.00 40.93 A +ATOM 964 CB ALA A 124 34.121 22.268 7.350 1.00 40.74 A +ATOM 965 N GLU A 125 31.216 23.169 6.113 1.00 40.12 A +ATOM 966 CA GLU A 125 30.194 22.892 5.112 1.00 41.39 A +ATOM 967 C GLU A 125 30.200 23.878 3.948 1.00 42.04 A +ATOM 968 O GLU A 125 29.904 23.494 2.820 1.00 40.73 A +ATOM 969 CB GLU A 125 28.807 22.851 5.762 1.00 46.15 A +ATOM 970 CG GLU A 125 27.680 22.539 4.788 1.00 54.27 A +ATOM 971 CD GLU A 125 26.382 22.146 5.486 1.00 61.37 A +ATOM 972 OE1 GLU A 125 25.335 22.097 4.804 1.00 64.53 A +ATOM 973 OE2 GLU A 125 26.408 21.876 6.709 1.00 62.75 A +ATOM 974 N ILE A 126 30.533 25.145 4.198 1.00 35.86 A +ATOM 975 CA ILE A 126 30.571 26.104 3.100 1.00 33.95 A +ATOM 976 C ILE A 126 31.990 26.469 2.656 1.00 34.82 A +ATOM 977 O ILE A 126 32.188 27.433 1.917 1.00 32.24 A +ATOM 978 CB ILE A 126 29.806 27.405 3.438 1.00 38.26 A +ATOM 979 CG1 ILE A 126 30.410 28.065 4.678 1.00 35.12 A +ATOM 980 CG2 ILE A 126 28.318 27.096 3.617 1.00 35.39 A +ATOM 981 CD1 ILE A 126 29.711 29.342 5.086 1.00 31.83 A +ATOM 982 N ALA A 127 32.978 25.708 3.111 1.00 32.19 A +ATOM 983 CA ALA A 127 34.358 25.962 2.711 1.00 38.45 A +ATOM 984 C ALA A 127 34.554 25.485 1.273 1.00 43.34 A +ATOM 985 O ALA A 127 33.912 24.523 0.845 1.00 42.10 A +ATOM 986 CB ALA A 127 35.314 25.219 3.629 1.00 35.66 A +ATOM 987 N ARG A 128 35.423 26.161 0.527 1.00 42.13 A +ATOM 988 CA ARG A 128 35.711 25.759 -0.848 1.00 44.83 A +ATOM 989 C ARG A 128 37.116 25.159 -0.861 1.00 47.00 A +ATOM 990 O ARG A 128 37.964 25.523 -0.042 1.00 47.02 A +ATOM 991 CB ARG A 128 35.653 26.957 -1.803 1.00 42.68 A +ATOM 992 CG ARG A 128 34.286 27.617 -1.939 1.00 44.46 A +ATOM 993 CD ARG A 128 33.202 26.601 -2.266 1.00 47.39 A +ATOM 994 NE ARG A 128 31.915 27.228 -2.569 1.00 45.74 A +ATOM 995 CZ ARG A 128 31.585 27.744 -3.751 1.00 48.53 A +ATOM 996 NH1 ARG A 128 32.445 27.712 -4.762 1.00 49.24 A +ATOM 997 NH2 ARG A 128 30.389 28.284 -3.926 1.00 44.02 A +ATOM 998 N PRO A 129 37.383 24.222 -1.783 1.00 46.98 A +ATOM 999 CA PRO A 129 36.468 23.699 -2.800 1.00 47.82 A +ATOM 1000 C PRO A 129 35.360 22.827 -2.220 1.00 47.16 A +ATOM 1001 O PRO A 129 34.329 22.622 -2.855 1.00 50.60 A +ATOM 1002 CB PRO A 129 37.400 22.913 -3.718 1.00 51.19 A +ATOM 1003 CG PRO A 129 38.403 22.363 -2.757 1.00 50.57 A +ATOM 1004 CD PRO A 129 38.704 23.575 -1.892 1.00 49.09 A +ATOM 1005 N ASP A 130 35.578 22.308 -1.018 1.00 47.18 A +ATOM 1006 CA ASP A 130 34.585 21.466 -0.361 1.00 48.69 A +ATOM 1007 C ASP A 130 34.846 21.405 1.141 1.00 46.59 A +ATOM 1008 O ASP A 130 35.851 21.927 1.622 1.00 45.94 A +ATOM 1009 CB ASP A 130 34.604 20.059 -0.968 1.00 51.73 A +ATOM 1010 CG ASP A 130 35.953 19.387 -0.841 1.00 55.03 A +ATOM 1011 OD1 ASP A 130 36.344 19.055 0.295 1.00 55.46 A +ATOM 1012 OD2 ASP A 130 36.624 19.193 -1.879 1.00 58.38 A +ATOM 1013 N ASP A 131 33.948 20.755 1.875 1.00 45.32 A +ATOM 1014 CA ASP A 131 34.067 20.671 3.323 1.00 45.49 A +ATOM 1015 C ASP A 131 35.218 19.850 3.882 1.00 46.38 A +ATOM 1016 O ASP A 131 35.245 19.570 5.080 1.00 46.34 A +ATOM 1017 CB ASP A 131 32.754 20.176 3.946 1.00 46.89 A +ATOM 1018 CG ASP A 131 32.453 18.724 3.619 1.00 50.91 A +ATOM 1019 OD1 ASP A 131 33.384 17.893 3.638 1.00 53.57 A +ATOM 1020 OD2 ASP A 131 31.275 18.410 3.363 1.00 52.52 A +ATOM 1021 N SER A 132 36.168 19.457 3.041 1.00 46.01 A +ATOM 1022 CA SER A 132 37.301 18.685 3.539 1.00 44.96 A +ATOM 1023 C SER A 132 38.417 19.642 3.942 1.00 43.79 A +ATOM 1024 O SER A 132 39.339 19.267 4.664 1.00 45.79 A +ATOM 1025 CB SER A 132 37.810 17.704 2.475 1.00 47.79 A +ATOM 1026 OG SER A 132 38.353 18.390 1.364 1.00 51.60 A +ATOM 1027 N LEU A 133 38.327 20.880 3.465 1.00 43.49 A +ATOM 1028 CA LEU A 133 39.318 21.901 3.791 1.00 42.87 A +ATOM 1029 C LEU A 133 38.956 22.496 5.151 1.00 41.80 A +ATOM 1030 O LEU A 133 38.134 23.409 5.249 1.00 40.69 A +ATOM 1031 CB LEU A 133 39.320 23.008 2.733 1.00 42.44 A +ATOM 1032 CG LEU A 133 40.516 23.971 2.740 1.00 45.27 A +ATOM 1033 CD1 LEU A 133 41.778 23.226 2.289 1.00 44.88 A +ATOM 1034 CD2 LEU A 133 40.243 25.134 1.806 1.00 45.40 A +ATOM 1035 N GLU A 134 39.573 21.959 6.197 1.00 41.18 A +ATOM 1036 CA GLU A 134 39.333 22.408 7.561 1.00 41.55 A +ATOM 1037 C GLU A 134 39.561 23.914 7.738 1.00 40.31 A +ATOM 1038 O GLU A 134 40.629 24.436 7.417 1.00 38.55 A +ATOM 1039 CB GLU A 134 40.238 21.615 8.505 1.00 43.64 A +ATOM 1040 CG GLU A 134 40.268 22.107 9.936 1.00 46.27 A +ATOM 1041 CD GLU A 134 41.104 21.210 10.829 1.00 49.29 A +ATOM 1042 OE1 GLU A 134 40.629 20.112 11.186 1.00 53.38 A +ATOM 1043 OE2 GLU A 134 42.244 21.595 11.164 1.00 51.60 A +ATOM 1044 N PRO A 135 38.545 24.632 8.246 1.00 39.36 A +ATOM 1045 CA PRO A 135 38.632 26.083 8.469 1.00 34.86 A +ATOM 1046 C PRO A 135 39.628 26.414 9.595 1.00 37.28 A +ATOM 1047 O PRO A 135 39.937 25.567 10.438 1.00 33.31 A +ATOM 1048 CB PRO A 135 37.195 26.466 8.840 1.00 36.85 A +ATOM 1049 CG PRO A 135 36.354 25.352 8.226 1.00 37.75 A +ATOM 1050 CD PRO A 135 37.184 24.137 8.523 1.00 33.15 A +ATOM 1051 N PHE A 136 40.123 27.649 9.611 1.00 35.76 A +ATOM 1052 CA PHE A 136 41.086 28.069 10.626 1.00 36.73 A +ATOM 1053 C PHE A 136 40.675 27.822 12.083 1.00 38.21 A +ATOM 1054 O PHE A 136 41.447 27.261 12.861 1.00 35.94 A +ATOM 1055 CB PHE A 136 41.417 29.555 10.471 1.00 37.73 A +ATOM 1056 CG PHE A 136 42.342 30.077 11.537 1.00 36.65 A +ATOM 1057 CD1 PHE A 136 43.705 29.826 11.476 1.00 40.90 A +ATOM 1058 CD2 PHE A 136 41.843 30.775 12.624 1.00 38.54 A +ATOM 1059 CE1 PHE A 136 44.557 30.261 12.484 1.00 42.80 A +ATOM 1060 CE2 PHE A 136 42.686 31.213 13.637 1.00 42.89 A +ATOM 1061 CZ PHE A 136 44.045 30.953 13.567 1.00 43.57 A +ATOM 1062 N PHE A 137 39.471 28.244 12.463 1.00 37.60 A +ATOM 1063 CA PHE A 137 39.053 28.063 13.848 1.00 36.48 A +ATOM 1064 C PHE A 137 38.966 26.598 14.260 1.00 39.17 A +ATOM 1065 O PHE A 137 39.280 26.249 15.399 1.00 39.17 A +ATOM 1066 CB PHE A 137 37.719 28.761 14.118 1.00 34.48 A +ATOM 1067 CG PHE A 137 37.518 29.120 15.562 1.00 34.08 A +ATOM 1068 CD1 PHE A 137 38.074 30.275 16.086 1.00 36.89 A +ATOM 1069 CD2 PHE A 137 36.810 28.278 16.406 1.00 32.53 A +ATOM 1070 CE1 PHE A 137 37.929 30.585 17.431 1.00 35.09 A +ATOM 1071 CE2 PHE A 137 36.661 28.579 17.747 1.00 33.80 A +ATOM 1072 CZ PHE A 137 37.220 29.732 18.261 1.00 31.79 A +ATOM 1073 N ASP A 138 38.541 25.735 13.343 1.00 38.54 A +ATOM 1074 CA ASP A 138 38.464 24.309 13.643 1.00 39.78 A +ATOM 1075 C ASP A 138 39.874 23.800 13.931 1.00 39.13 A +ATOM 1076 O ASP A 138 40.095 23.040 14.874 1.00 38.94 A +ATOM 1077 CB ASP A 138 37.865 23.558 12.455 1.00 41.54 A +ATOM 1078 CG ASP A 138 36.376 23.772 12.333 1.00 45.68 A +ATOM 1079 OD1 ASP A 138 35.613 22.966 12.906 1.00 47.27 A +ATOM 1080 OD2 ASP A 138 35.969 24.758 11.684 1.00 48.93 A +ATOM 1081 N SER A 139 40.829 24.232 13.117 1.00 37.91 A +ATOM 1082 CA SER A 139 42.219 23.829 13.309 1.00 41.27 A +ATOM 1083 C SER A 139 42.695 24.354 14.666 1.00 42.68 A +ATOM 1084 O SER A 139 43.337 23.631 15.429 1.00 41.55 A +ATOM 1085 CB SER A 139 43.103 24.409 12.201 1.00 36.00 A +ATOM 1086 OG SER A 139 42.680 23.980 10.921 1.00 44.79 A +ATOM 1087 N LEU A 140 42.376 25.613 14.959 1.00 41.47 A +ATOM 1088 CA LEU A 140 42.774 26.222 16.225 1.00 41.29 A +ATOM 1089 C LEU A 140 42.286 25.386 17.406 1.00 41.28 A +ATOM 1090 O LEU A 140 43.057 25.030 18.296 1.00 43.64 A +ATOM 1091 CB LEU A 140 42.205 27.640 16.339 1.00 39.75 A +ATOM 1092 CG LEU A 140 42.487 28.351 17.667 1.00 42.11 A +ATOM 1093 CD1 LEU A 140 43.990 28.505 17.849 1.00 39.94 A +ATOM 1094 CD2 LEU A 140 41.806 29.711 17.686 1.00 42.96 A +ATOM 1095 N VAL A 141 40.999 25.071 17.400 1.00 42.74 A +ATOM 1096 CA VAL A 141 40.393 24.286 18.465 1.00 43.83 A +ATOM 1097 C VAL A 141 40.944 22.863 18.564 1.00 46.08 A +ATOM 1098 O VAL A 141 41.066 22.311 19.658 1.00 47.14 A +ATOM 1099 CB VAL A 141 38.864 24.207 18.277 1.00 41.89 A +ATOM 1100 CG1 VAL A 141 38.264 23.220 19.268 1.00 39.39 A +ATOM 1101 CG2 VAL A 141 38.252 25.587 18.461 1.00 39.07 A +ATOM 1102 N LYS A 142 41.278 22.269 17.426 1.00 46.92 A +ATOM 1103 CA LYS A 142 41.793 20.907 17.429 1.00 49.43 A +ATOM 1104 C LYS A 142 43.252 20.817 17.878 1.00 47.67 A +ATOM 1105 O LYS A 142 43.626 19.896 18.600 1.00 46.80 A +ATOM 1106 CB LYS A 142 41.632 20.282 16.037 1.00 50.43 A +ATOM 1107 CG LYS A 142 41.840 18.774 16.016 1.00 60.34 A +ATOM 1108 CD LYS A 142 41.452 18.154 14.677 1.00 65.08 A +ATOM 1109 CE LYS A 142 41.571 16.632 14.728 1.00 69.20 A +ATOM 1110 NZ LYS A 142 41.124 15.971 13.466 1.00 69.75 A +ATOM 1111 N GLN A 143 44.070 21.783 17.471 1.00 47.18 A +ATOM 1112 CA GLN A 143 45.485 21.769 17.823 1.00 47.99 A +ATOM 1113 C GLN A 143 45.860 22.401 19.161 1.00 50.99 A +ATOM 1114 O GLN A 143 46.934 22.121 19.698 1.00 50.43 A +ATOM 1115 CB GLN A 143 46.293 22.438 16.714 1.00 45.08 A +ATOM 1116 CG GLN A 143 46.356 21.639 15.434 1.00 44.38 A +ATOM 1117 CD GLN A 143 46.888 22.456 14.280 1.00 43.16 A +ATOM 1118 OE1 GLN A 143 47.926 23.104 14.391 1.00 48.52 A +ATOM 1119 NE2 GLN A 143 46.175 22.431 13.158 1.00 47.46 A +ATOM 1120 N THR A 144 44.992 23.248 19.706 1.00 50.65 A +ATOM 1121 CA THR A 144 45.297 23.908 20.973 1.00 50.17 A +ATOM 1122 C THR A 144 44.208 23.702 22.017 1.00 48.68 A +ATOM 1123 O THR A 144 43.234 22.990 21.786 1.00 47.62 A +ATOM 1124 CB THR A 144 45.478 25.422 20.775 1.00 49.39 A +ATOM 1125 OG1 THR A 144 44.194 26.046 20.670 1.00 50.46 A +ATOM 1126 CG2 THR A 144 46.252 25.695 19.502 1.00 49.42 A +ATOM 1127 N HIS A 145 44.381 24.339 23.170 1.00 50.14 A +ATOM 1128 CA HIS A 145 43.411 24.235 24.252 1.00 53.26 A +ATOM 1129 C HIS A 145 42.418 25.399 24.254 1.00 49.84 A +ATOM 1130 O HIS A 145 41.706 25.615 25.234 1.00 51.94 A +ATOM 1131 CB HIS A 145 44.137 24.168 25.600 1.00 60.93 A +ATOM 1132 CG HIS A 145 44.869 22.881 25.826 1.00 67.82 A +ATOM 1133 ND1 HIS A 145 45.699 22.677 26.907 1.00 71.61 A +ATOM 1134 CD2 HIS A 145 44.888 21.729 25.114 1.00 70.30 A +ATOM 1135 CE1 HIS A 145 46.198 21.455 26.852 1.00 73.40 A +ATOM 1136 NE2 HIS A 145 45.722 20.859 25.773 1.00 72.37 A +ATOM 1137 N VAL A 146 42.371 26.148 23.160 1.00 45.11 A +ATOM 1138 CA VAL A 146 41.447 27.273 23.062 1.00 42.80 A +ATOM 1139 C VAL A 146 40.024 26.736 22.984 1.00 40.04 A +ATOM 1140 O VAL A 146 39.711 25.929 22.110 1.00 35.81 A +ATOM 1141 CB VAL A 146 41.721 28.121 21.799 1.00 42.12 A +ATOM 1142 CG1 VAL A 146 40.677 29.224 21.673 1.00 42.65 A +ATOM 1143 CG2 VAL A 146 43.112 28.722 21.870 1.00 43.28 A +ATOM 1144 N PRO A 147 39.148 27.165 23.910 1.00 39.46 A +ATOM 1145 CA PRO A 147 37.751 26.715 23.927 1.00 39.02 A +ATOM 1146 C PRO A 147 37.085 26.973 22.581 1.00 40.21 A +ATOM 1147 O PRO A 147 37.484 27.882 21.849 1.00 37.68 A +ATOM 1148 CB PRO A 147 37.138 27.537 25.054 1.00 40.65 A +ATOM 1149 CG PRO A 147 38.297 27.692 26.006 1.00 41.94 A +ATOM 1150 CD PRO A 147 39.427 28.042 25.060 1.00 40.21 A +ATOM 1151 N ASN A 148 36.065 26.180 22.268 1.00 38.53 A +ATOM 1152 CA ASN A 148 35.365 26.284 20.992 1.00 35.48 A +ATOM 1153 C ASN A 148 34.305 27.379 20.946 1.00 35.58 A +ATOM 1154 O ASN A 148 33.108 27.111 20.880 1.00 33.38 A +ATOM 1155 CB ASN A 148 34.751 24.919 20.638 1.00 34.41 A +ATOM 1156 CG ASN A 148 34.187 24.869 19.221 1.00 37.15 A +ATOM 1157 OD1 ASN A 148 34.633 25.591 18.330 1.00 36.36 A +ATOM 1158 ND2 ASN A 148 33.210 23.995 19.009 1.00 38.59 A +ATOM 1159 N LEU A 149 34.761 28.624 20.997 1.00 34.63 A +ATOM 1160 CA LEU A 149 33.871 29.768 20.911 1.00 32.12 A +ATOM 1161 C LEU A 149 34.675 31.048 20.832 1.00 30.49 A +ATOM 1162 O LEU A 149 35.831 31.096 21.239 1.00 32.98 A +ATOM 1163 CB LEU A 149 32.922 29.842 22.107 1.00 38.20 A +ATOM 1164 CG LEU A 149 33.445 30.431 23.411 1.00 42.40 A +ATOM 1165 CD1 LEU A 149 32.273 30.832 24.291 1.00 38.93 A +ATOM 1166 CD2 LEU A 149 34.341 29.422 24.100 1.00 41.94 A +ATOM 1167 N PHE A 150 34.065 32.077 20.268 1.00 28.16 A +ATOM 1168 CA PHE A 150 34.708 33.371 20.164 1.00 26.82 A +ATOM 1169 C PHE A 150 33.593 34.385 20.203 1.00 29.57 A +ATOM 1170 O PHE A 150 32.431 34.043 19.987 1.00 29.58 A +ATOM 1171 CB PHE A 150 35.526 33.508 18.865 1.00 27.88 A +ATOM 1172 CG PHE A 150 34.705 33.452 17.598 1.00 30.17 A +ATOM 1173 CD1 PHE A 150 34.466 32.248 16.961 1.00 30.67 A +ATOM 1174 CD2 PHE A 150 34.197 34.613 17.033 1.00 31.65 A +ATOM 1175 CE1 PHE A 150 33.737 32.201 15.783 1.00 30.32 A +ATOM 1176 CE2 PHE A 150 33.469 34.575 15.860 1.00 29.86 A +ATOM 1177 CZ PHE A 150 33.240 33.363 15.233 1.00 31.55 A +ATOM 1178 N SER A 151 33.936 35.625 20.518 1.00 28.22 A +ATOM 1179 CA SER A 151 32.946 36.679 20.561 1.00 29.13 A +ATOM 1180 C SER A 151 33.484 37.897 19.824 1.00 30.48 A +ATOM 1181 O SER A 151 34.696 38.107 19.726 1.00 31.20 A +ATOM 1182 CB SER A 151 32.571 37.016 22.017 1.00 34.40 A +ATOM 1183 OG SER A 151 33.696 37.023 22.871 1.00 38.99 A +ATOM 1184 N LEU A 152 32.570 38.679 19.276 1.00 29.70 A +ATOM 1185 CA LEU A 152 32.937 39.859 18.527 1.00 32.04 A +ATOM 1186 C LEU A 152 32.219 41.079 19.068 1.00 32.90 A +ATOM 1187 O LEU A 152 31.012 41.053 19.305 1.00 28.82 A +ATOM 1188 CB LEU A 152 32.585 39.674 17.042 1.00 32.23 A +ATOM 1189 CG LEU A 152 33.456 38.718 16.219 1.00 37.59 A +ATOM 1190 CD1 LEU A 152 32.854 38.509 14.822 1.00 32.22 A +ATOM 1191 CD2 LEU A 152 34.863 39.296 16.104 1.00 34.76 A +ATOM 1192 N GLN A 153 32.984 42.139 19.293 1.00 31.31 A +ATOM 1193 CA GLN A 153 32.427 43.396 19.757 1.00 33.87 A +ATOM 1194 C GLN A 153 32.869 44.397 18.708 1.00 34.16 A +ATOM 1195 O GLN A 153 34.006 44.866 18.727 1.00 37.52 A +ATOM 1196 CB GLN A 153 32.998 43.800 21.119 1.00 32.65 A +ATOM 1197 CG GLN A 153 32.513 45.174 21.577 1.00 42.48 A +ATOM 1198 CD GLN A 153 33.368 45.766 22.689 1.00 46.93 A +ATOM 1199 OE1 GLN A 153 34.586 45.918 22.541 1.00 47.34 A +ATOM 1200 NE2 GLN A 153 32.733 46.110 23.801 1.00 49.66 A +ATOM 1201 N LEU A 154 31.972 44.700 17.783 1.00 34.59 A +ATOM 1202 CA LEU A 154 32.273 45.633 16.710 1.00 38.23 A +ATOM 1203 C LEU A 154 31.789 47.019 17.093 1.00 41.33 A +ATOM 1204 O LEU A 154 30.599 47.231 17.327 1.00 41.12 A +ATOM 1205 CB LEU A 154 31.593 45.185 15.414 1.00 34.75 A +ATOM 1206 CG LEU A 154 31.854 43.739 14.973 1.00 32.75 A +ATOM 1207 CD1 LEU A 154 31.250 43.530 13.581 1.00 33.54 A +ATOM 1208 CD2 LEU A 154 33.348 43.449 14.958 1.00 32.18 A +ATOM 1209 N CYS A 155 32.718 47.963 17.164 1.00 43.79 A +ATOM 1210 CA CYS A 155 32.362 49.329 17.518 1.00 47.64 A +ATOM 1211 C CYS A 155 32.427 50.207 16.277 1.00 50.74 A +ATOM 1212 O CYS A 155 33.476 50.323 15.645 1.00 53.50 A +ATOM 1213 CB CYS A 155 33.312 49.856 18.594 1.00 44.00 A +ATOM 1214 SG CYS A 155 33.418 48.779 20.057 1.00 43.93 A +ATOM 1215 N GLY A 156 31.300 50.814 15.924 1.00 53.87 A +ATOM 1216 CA GLY A 156 31.267 51.670 14.751 1.00 60.18 A +ATOM 1217 C GLY A 156 32.030 52.970 14.944 1.00 62.69 A +ATOM 1218 O GLY A 156 33.158 52.974 15.442 1.00 62.95 A +ATOM 1219 N ALA A 157 31.413 54.077 14.546 1.00 66.67 A +ATOM 1220 CA ALA A 157 32.032 55.393 14.670 1.00 69.30 A +ATOM 1221 C ALA A 157 32.082 55.849 16.127 1.00 70.37 A +ATOM 1222 O ALA A 157 32.481 55.092 17.015 1.00 72.66 A +ATOM 1223 CB ALA A 157 31.262 56.406 13.836 1.00 68.28 A +ATOM 1224 N SER A 169 38.910 54.199 11.240 1.00 60.03 A +ATOM 1225 CA SER A 169 37.899 54.996 11.924 1.00 59.53 A +ATOM 1226 C SER A 169 36.972 54.135 12.780 1.00 58.71 A +ATOM 1227 O SER A 169 36.064 54.650 13.428 1.00 61.07 A +ATOM 1228 CB SER A 169 37.075 55.797 10.909 1.00 58.14 A +ATOM 1229 OG SER A 169 36.422 54.945 9.979 1.00 61.60 A +ATOM 1230 N VAL A 170 37.192 52.824 12.772 1.00 57.05 A +ATOM 1231 CA VAL A 170 36.376 51.918 13.579 1.00 52.91 A +ATOM 1232 C VAL A 170 37.281 50.997 14.388 1.00 49.83 A +ATOM 1233 O VAL A 170 38.435 50.775 14.029 1.00 46.15 A +ATOM 1234 CB VAL A 170 35.440 51.040 12.717 1.00 54.16 A +ATOM 1235 CG1 VAL A 170 34.586 51.914 11.818 1.00 55.41 A +ATOM 1236 CG2 VAL A 170 36.257 50.040 11.906 1.00 52.53 A +ATOM 1237 N GLY A 171 36.752 50.470 15.485 1.00 46.25 A +ATOM 1238 CA GLY A 171 37.531 49.579 16.324 1.00 43.05 A +ATOM 1239 C GLY A 171 36.641 48.490 16.886 1.00 39.04 A +ATOM 1240 O GLY A 171 35.440 48.464 16.623 1.00 40.20 A +ATOM 1241 N GLY A 172 37.225 47.582 17.654 1.00 38.06 A +ATOM 1242 CA GLY A 172 36.435 46.514 18.232 1.00 34.68 A +ATOM 1243 C GLY A 172 37.303 45.437 18.831 1.00 36.13 A +ATOM 1244 O GLY A 172 38.524 45.582 18.910 1.00 38.62 A +ATOM 1245 N SER A 173 36.675 44.341 19.242 1.00 32.05 A +ATOM 1246 CA SER A 173 37.408 43.253 19.857 1.00 31.34 A +ATOM 1247 C SER A 173 36.925 41.880 19.415 1.00 34.14 A +ATOM 1248 O SER A 173 35.725 41.643 19.287 1.00 34.73 A +ATOM 1249 CB SER A 173 37.268 43.322 21.387 1.00 34.39 A +ATOM 1250 OG SER A 173 37.569 44.607 21.900 1.00 34.90 A +ATOM 1251 N MET A 174 37.872 40.983 19.173 1.00 32.75 A +ATOM 1252 CA MET A 174 37.539 39.610 18.848 1.00 32.66 A +ATOM 1253 C MET A 174 38.162 38.812 19.978 1.00 31.95 A +ATOM 1254 O MET A 174 39.383 38.635 20.035 1.00 32.91 A +ATOM 1255 CB MET A 174 38.125 39.147 17.512 1.00 33.21 A +ATOM 1256 CG MET A 174 37.970 37.637 17.332 1.00 34.88 A +ATOM 1257 SD MET A 174 38.305 37.015 15.677 1.00 40.66 A +ATOM 1258 CE MET A 174 40.071 37.049 15.627 1.00 43.18 A +ATOM 1259 N ILE A 175 37.317 38.356 20.896 1.00 31.76 A +ATOM 1260 CA ILE A 175 37.777 37.585 22.034 1.00 30.18 A +ATOM 1261 C ILE A 175 37.780 36.125 21.628 1.00 35.27 A +ATOM 1262 O ILE A 175 36.729 35.491 21.531 1.00 34.57 A +ATOM 1263 CB ILE A 175 36.853 37.792 23.239 1.00 33.23 A +ATOM 1264 CG1 ILE A 175 36.701 39.294 23.514 1.00 30.15 A +ATOM 1265 CG2 ILE A 175 37.417 37.063 24.456 1.00 32.79 A +ATOM 1266 CD1 ILE A 175 37.999 39.990 23.856 1.00 36.65 A +ATOM 1267 N ILE A 176 38.972 35.597 21.387 1.00 36.74 A +ATOM 1268 CA ILE A 176 39.120 34.221 20.962 1.00 39.19 A +ATOM 1269 C ILE A 176 39.165 33.231 22.109 1.00 40.02 A +ATOM 1270 O ILE A 176 40.040 33.296 22.967 1.00 40.95 A +ATOM 1271 CB ILE A 176 40.385 34.062 20.108 1.00 40.03 A +ATOM 1272 CG1 ILE A 176 40.260 34.933 18.862 1.00 40.00 A +ATOM 1273 CG2 ILE A 176 40.582 32.600 19.721 1.00 37.94 A +ATOM 1274 CD1 ILE A 176 41.493 34.948 18.006 1.00 45.38 A +ATOM 1275 N GLY A 177 38.202 32.318 22.121 1.00 38.74 A +ATOM 1276 CA GLY A 177 38.163 31.297 23.150 1.00 35.81 A +ATOM 1277 C GLY A 177 37.350 31.621 24.381 1.00 36.25 A +ATOM 1278 O GLY A 177 37.377 30.865 25.348 1.00 39.53 A +ATOM 1279 N GLY A 178 36.622 32.731 24.365 1.00 33.88 A +ATOM 1280 CA GLY A 178 35.835 33.059 25.533 1.00 34.48 A +ATOM 1281 C GLY A 178 34.962 34.289 25.446 1.00 35.62 A +ATOM 1282 O GLY A 178 34.773 34.878 24.384 1.00 33.74 A +ATOM 1283 N ILE A 179 34.422 34.661 26.602 1.00 35.53 A +ATOM 1284 CA ILE A 179 33.545 35.807 26.746 1.00 34.66 A +ATOM 1285 C ILE A 179 34.181 36.781 27.739 1.00 35.83 A +ATOM 1286 O ILE A 179 34.561 36.380 28.836 1.00 33.01 A +ATOM 1287 CB ILE A 179 32.175 35.359 27.304 1.00 37.79 A +ATOM 1288 CG1 ILE A 179 31.466 34.453 26.286 1.00 37.55 A +ATOM 1289 CG2 ILE A 179 31.331 36.573 27.659 1.00 35.08 A +ATOM 1290 CD1 ILE A 179 30.180 33.836 26.803 1.00 40.96 A +ATOM 1291 N ASP A 180 34.308 38.048 27.354 1.00 35.92 A +ATOM 1292 CA ASP A 180 34.882 39.053 28.250 1.00 38.06 A +ATOM 1293 C ASP A 180 33.736 39.901 28.783 1.00 35.64 A +ATOM 1294 O ASP A 180 33.203 40.770 28.091 1.00 33.07 A +ATOM 1295 CB ASP A 180 35.898 39.927 27.508 1.00 39.04 A +ATOM 1296 CG ASP A 180 36.662 40.848 28.443 1.00 43.98 A +ATOM 1297 OD1 ASP A 180 37.882 41.024 28.235 1.00 42.30 A +ATOM 1298 OD2 ASP A 180 36.042 41.397 29.381 1.00 43.45 A +ATOM 1299 N HIS A 181 33.365 39.632 30.026 1.00 36.25 A +ATOM 1300 CA HIS A 181 32.250 40.305 30.676 1.00 42.07 A +ATOM 1301 C HIS A 181 32.350 41.814 30.840 1.00 44.29 A +ATOM 1302 O HIS A 181 31.342 42.483 31.068 1.00 47.08 A +ATOM 1303 CB HIS A 181 31.997 39.637 32.027 1.00 45.17 A +ATOM 1304 CG HIS A 181 31.673 38.180 31.910 1.00 52.63 A +ATOM 1305 ND1 HIS A 181 30.441 37.725 31.494 1.00 53.16 A +ATOM 1306 CD2 HIS A 181 32.447 37.080 32.067 1.00 54.85 A +ATOM 1307 CE1 HIS A 181 30.470 36.408 31.397 1.00 54.92 A +ATOM 1308 NE2 HIS A 181 31.676 35.991 31.739 1.00 54.23 A +ATOM 1309 N SER A 182 33.548 42.368 30.709 1.00 45.52 A +ATOM 1310 CA SER A 182 33.680 43.809 30.857 1.00 43.38 A +ATOM 1311 C SER A 182 33.246 44.539 29.592 1.00 41.65 A +ATOM 1312 O SER A 182 33.154 45.764 29.587 1.00 42.13 A +ATOM 1313 CB SER A 182 35.127 44.184 31.203 1.00 47.02 A +ATOM 1314 OG SER A 182 35.991 44.017 30.095 1.00 47.38 A +ATOM 1315 N LEU A 183 32.957 43.789 28.529 1.00 37.10 A +ATOM 1316 CA LEU A 183 32.569 44.396 27.253 1.00 35.19 A +ATOM 1317 C LEU A 183 31.075 44.552 26.973 1.00 36.46 A +ATOM 1318 O LEU A 183 30.698 45.020 25.905 1.00 38.08 A +ATOM 1319 CB LEU A 183 33.198 43.621 26.093 1.00 36.81 A +ATOM 1320 CG LEU A 183 34.709 43.397 26.164 1.00 41.72 A +ATOM 1321 CD1 LEU A 183 35.177 42.673 24.901 1.00 40.66 A +ATOM 1322 CD2 LEU A 183 35.413 44.735 26.311 1.00 40.90 A +ATOM 1323 N TYR A 184 30.213 44.165 27.903 1.00 35.27 A +ATOM 1324 CA TYR A 184 28.786 44.328 27.647 1.00 33.05 A +ATOM 1325 C TYR A 184 28.015 44.571 28.930 1.00 31.64 A +ATOM 1326 O TYR A 184 28.518 44.309 30.013 1.00 34.93 A +ATOM 1327 CB TYR A 184 28.216 43.086 26.940 1.00 31.59 A +ATOM 1328 CG TYR A 184 28.187 41.825 27.779 1.00 32.52 A +ATOM 1329 CD1 TYR A 184 29.275 40.967 27.819 1.00 31.74 A +ATOM 1330 CD2 TYR A 184 27.065 41.490 28.528 1.00 32.51 A +ATOM 1331 CE1 TYR A 184 29.250 39.811 28.575 1.00 35.16 A +ATOM 1332 CE2 TYR A 184 27.029 40.330 29.293 1.00 33.82 A +ATOM 1333 CZ TYR A 184 28.124 39.497 29.307 1.00 37.12 A +ATOM 1334 OH TYR A 184 28.094 38.331 30.028 1.00 39.88 A +ATOM 1335 N THR A 185 26.792 45.074 28.800 1.00 33.24 A +ATOM 1336 CA THR A 185 25.946 45.308 29.961 1.00 36.08 A +ATOM 1337 C THR A 185 24.685 44.457 29.850 1.00 37.36 A +ATOM 1338 O THR A 185 24.347 43.956 28.775 1.00 32.86 A +ATOM 1339 CB THR A 185 25.535 46.785 30.085 1.00 36.35 A +ATOM 1340 OG1 THR A 185 24.840 47.191 28.902 1.00 37.99 A +ATOM 1341 CG2 THR A 185 26.768 47.668 30.283 1.00 40.67 A +ATOM 1342 N GLY A 186 23.988 44.290 30.965 1.00 36.78 A +ATOM 1343 CA GLY A 186 22.777 43.497 30.939 1.00 39.48 A +ATOM 1344 C GLY A 186 23.061 42.023 30.743 1.00 37.44 A +ATOM 1345 O GLY A 186 24.182 41.559 30.948 1.00 38.79 A +ATOM 1346 N SER A 187 22.046 41.283 30.322 1.00 37.44 A +ATOM 1347 CA SER A 187 22.192 39.846 30.136 1.00 37.50 A +ATOM 1348 C SER A 187 22.406 39.436 28.688 1.00 33.74 A +ATOM 1349 O SER A 187 21.991 40.129 27.764 1.00 34.20 A +ATOM 1350 CB SER A 187 20.942 39.133 30.657 1.00 44.03 A +ATOM 1351 OG SER A 187 20.526 39.673 31.896 1.00 50.74 A +ATOM 1352 N LEU A 188 23.054 38.293 28.503 1.00 34.86 A +ATOM 1353 CA LEU A 188 23.284 37.752 27.175 1.00 35.83 A +ATOM 1354 C LEU A 188 22.069 36.910 26.802 1.00 31.10 A +ATOM 1355 O LEU A 188 21.605 36.102 27.600 1.00 33.24 A +ATOM 1356 CB LEU A 188 24.528 36.867 27.168 1.00 36.32 A +ATOM 1357 CG LEU A 188 25.880 37.512 26.866 1.00 35.99 A +ATOM 1358 CD1 LEU A 188 27.006 36.562 27.278 1.00 37.45 A +ATOM 1359 CD2 LEU A 188 25.954 37.852 25.386 1.00 32.70 A +ATOM 1360 N TRP A 189 21.548 37.107 25.597 1.00 29.52 A +ATOM 1361 CA TRP A 189 20.405 36.328 25.139 1.00 28.06 A +ATOM 1362 C TRP A 189 20.863 35.451 23.978 1.00 30.78 A +ATOM 1363 O TRP A 189 21.486 35.934 23.032 1.00 27.84 A +ATOM 1364 CB TRP A 189 19.258 37.252 24.726 1.00 23.04 A +ATOM 1365 CG TRP A 189 18.538 37.799 25.915 1.00 31.67 A +ATOM 1366 CD1 TRP A 189 18.850 38.925 26.629 1.00 32.49 A +ATOM 1367 CD2 TRP A 189 17.436 37.185 26.594 1.00 29.37 A +ATOM 1368 NE1 TRP A 189 18.008 39.044 27.717 1.00 32.06 A +ATOM 1369 CE2 TRP A 189 17.134 37.987 27.716 1.00 34.83 A +ATOM 1370 CE3 TRP A 189 16.678 36.032 26.363 1.00 30.98 A +ATOM 1371 CZ2 TRP A 189 16.108 37.668 28.602 1.00 31.86 A +ATOM 1372 CZ3 TRP A 189 15.664 35.719 27.241 1.00 32.87 A +ATOM 1373 CH2 TRP A 189 15.385 36.533 28.348 1.00 32.60 A +ATOM 1374 N TYR A 190 20.559 34.158 24.060 1.00 29.18 A +ATOM 1375 CA TYR A 190 20.994 33.214 23.041 1.00 30.10 A +ATOM 1376 C TYR A 190 19.923 32.697 22.082 1.00 31.38 A +ATOM 1377 O TYR A 190 18.797 32.407 22.480 1.00 28.23 A +ATOM 1378 CB TYR A 190 21.676 32.009 23.698 1.00 28.00 A +ATOM 1379 CG TYR A 190 22.977 32.323 24.395 1.00 30.60 A +ATOM 1380 CD1 TYR A 190 22.994 32.763 25.714 1.00 30.79 A +ATOM 1381 CD2 TYR A 190 24.194 32.169 23.737 1.00 29.36 A +ATOM 1382 CE1 TYR A 190 24.190 33.032 26.362 1.00 31.52 A +ATOM 1383 CE2 TYR A 190 25.389 32.434 24.373 1.00 30.00 A +ATOM 1384 CZ TYR A 190 25.380 32.863 25.685 1.00 32.99 A +ATOM 1385 OH TYR A 190 26.562 33.096 26.328 1.00 32.07 A +ATOM 1386 N THR A 191 20.315 32.576 20.816 1.00 27.68 A +ATOM 1387 CA THR A 191 19.458 32.064 19.756 1.00 28.02 A +ATOM 1388 C THR A 191 20.228 30.862 19.196 1.00 28.99 A +ATOM 1389 O THR A 191 21.457 30.902 19.077 1.00 26.90 A +ATOM 1390 CB THR A 191 19.238 33.125 18.646 1.00 33.90 A +ATOM 1391 OG1 THR A 191 18.169 32.708 17.785 1.00 31.66 A +ATOM 1392 CG2 THR A 191 20.507 33.309 17.812 1.00 33.36 A +ATOM 1393 N PRO A 192 19.521 29.775 18.857 1.00 27.79 A +ATOM 1394 CA PRO A 192 20.155 28.566 18.322 1.00 29.66 A +ATOM 1395 C PRO A 192 20.789 28.726 16.950 1.00 28.92 A +ATOM 1396 O PRO A 192 20.264 29.430 16.094 1.00 31.26 A +ATOM 1397 CB PRO A 192 19.001 27.550 18.272 1.00 34.76 A +ATOM 1398 CG PRO A 192 17.983 28.097 19.246 1.00 35.59 A +ATOM 1399 CD PRO A 192 18.070 29.581 19.006 1.00 30.52 A +ATOM 1400 N ILE A 193 21.933 28.087 16.742 1.00 27.17 A +ATOM 1401 CA ILE A 193 22.533 28.121 15.420 1.00 30.04 A +ATOM 1402 C ILE A 193 21.707 27.025 14.736 1.00 33.60 A +ATOM 1403 O ILE A 193 21.809 25.860 15.106 1.00 32.51 A +ATOM 1404 CB ILE A 193 24.021 27.723 15.456 1.00 31.62 A +ATOM 1405 CG1 ILE A 193 24.854 28.868 16.057 1.00 28.58 A +ATOM 1406 CG2 ILE A 193 24.502 27.388 14.048 1.00 31.96 A +ATOM 1407 CD1 ILE A 193 26.313 28.527 16.216 1.00 26.85 A +ATOM 1408 N ARG A 194 20.873 27.397 13.769 1.00 34.54 A +ATOM 1409 CA ARG A 194 20.001 26.422 13.104 1.00 35.69 A +ATOM 1410 C ARG A 194 20.746 25.244 12.493 1.00 36.24 A +ATOM 1411 O ARG A 194 20.387 24.092 12.710 1.00 34.72 A +ATOM 1412 CB ARG A 194 19.157 27.097 12.024 1.00 32.73 A +ATOM 1413 CG ARG A 194 18.057 26.184 11.478 1.00 37.33 A +ATOM 1414 CD ARG A 194 17.372 26.779 10.264 1.00 40.68 A +ATOM 1415 NE ARG A 194 16.293 25.925 9.781 1.00 42.94 A +ATOM 1416 CZ ARG A 194 15.651 26.113 8.635 1.00 44.12 A +ATOM 1417 NH1 ARG A 194 15.979 27.129 7.845 1.00 40.98 A +ATOM 1418 NH2 ARG A 194 14.679 25.285 8.275 1.00 49.15 A +ATOM 1419 N ARG A 195 21.774 25.538 11.714 1.00 37.77 A +ATOM 1420 CA ARG A 195 22.570 24.494 11.090 1.00 36.82 A +ATOM 1421 C ARG A 195 23.994 25.005 11.032 1.00 33.51 A +ATOM 1422 O ARG A 195 24.218 26.201 10.884 1.00 32.84 A +ATOM 1423 CB ARG A 195 22.092 24.200 9.667 1.00 37.67 A +ATOM 1424 CG ARG A 195 22.789 22.984 9.063 1.00 46.76 A +ATOM 1425 CD ARG A 195 22.963 23.087 7.561 1.00 51.20 A +ATOM 1426 NE ARG A 195 21.705 23.278 6.850 1.00 54.40 A +ATOM 1427 CZ ARG A 195 21.619 23.414 5.531 1.00 59.78 A +ATOM 1428 NH1 ARG A 195 22.719 23.376 4.792 1.00 56.86 A +ATOM 1429 NH2 ARG A 195 20.439 23.592 4.951 1.00 59.88 A +ATOM 1430 N GLU A 196 24.949 24.095 11.142 1.00 33.65 A +ATOM 1431 CA GLU A 196 26.351 24.466 11.115 1.00 37.34 A +ATOM 1432 C GLU A 196 26.972 24.556 9.732 1.00 38.02 A +ATOM 1433 O GLU A 196 27.587 23.605 9.248 1.00 39.70 A +ATOM 1434 CB GLU A 196 27.152 23.494 11.976 1.00 35.59 A +ATOM 1435 CG GLU A 196 26.765 23.547 13.435 1.00 41.42 A +ATOM 1436 CD GLU A 196 27.580 22.598 14.275 1.00 49.03 A +ATOM 1437 OE1 GLU A 196 27.318 22.512 15.488 1.00 47.14 A +ATOM 1438 OE2 GLU A 196 28.483 21.937 13.717 1.00 59.04 A +ATOM 1439 N TRP A 197 26.779 25.701 9.090 1.00 37.81 A +ATOM 1440 CA TRP A 197 27.364 25.974 7.785 1.00 38.10 A +ATOM 1441 C TRP A 197 27.615 27.477 7.877 1.00 38.06 A +ATOM 1442 O TRP A 197 28.734 27.891 8.182 1.00 39.17 A +ATOM 1443 CB TRP A 197 26.421 25.534 6.641 1.00 37.61 A +ATOM 1444 CG TRP A 197 25.046 26.129 6.589 1.00 36.93 A +ATOM 1445 CD1 TRP A 197 24.216 26.402 7.641 1.00 33.38 A +ATOM 1446 CD2 TRP A 197 24.322 26.477 5.405 1.00 36.34 A +ATOM 1447 NE1 TRP A 197 23.020 26.901 7.180 1.00 37.56 A +ATOM 1448 CE2 TRP A 197 23.060 26.957 5.810 1.00 36.13 A +ATOM 1449 CE3 TRP A 197 24.618 26.429 4.038 1.00 39.45 A +ATOM 1450 CZ2 TRP A 197 22.095 27.388 4.896 1.00 36.02 A +ATOM 1451 CZ3 TRP A 197 23.658 26.856 3.131 1.00 42.16 A +ATOM 1452 CH2 TRP A 197 22.414 27.329 3.567 1.00 41.42 A +ATOM 1453 N TYR A 198 26.602 28.300 7.635 1.00 38.53 A +ATOM 1454 CA TYR A 198 26.759 29.736 7.845 1.00 33.63 A +ATOM 1455 C TYR A 198 26.364 29.788 9.319 1.00 35.27 A +ATOM 1456 O TYR A 198 25.983 28.757 9.881 1.00 31.20 A +ATOM 1457 CB TYR A 198 25.713 30.531 7.074 1.00 33.64 A +ATOM 1458 CG TYR A 198 26.004 30.760 5.620 1.00 34.59 A +ATOM 1459 CD1 TYR A 198 26.918 31.728 5.222 1.00 31.74 A +ATOM 1460 CD2 TYR A 198 25.353 30.022 4.638 1.00 36.02 A +ATOM 1461 CE1 TYR A 198 27.173 31.960 3.891 1.00 35.97 A +ATOM 1462 CE2 TYR A 198 25.603 30.246 3.297 1.00 36.05 A +ATOM 1463 CZ TYR A 198 26.511 31.217 2.930 1.00 38.88 A +ATOM 1464 OH TYR A 198 26.750 31.466 1.599 1.00 44.43 A +ATOM 1465 N TYR A 199 26.472 30.942 9.967 1.00 31.08 A +ATOM 1466 CA TYR A 199 25.998 31.003 11.339 1.00 31.90 A +ATOM 1467 C TYR A 199 24.531 31.356 11.111 1.00 32.07 A +ATOM 1468 O TYR A 199 24.130 32.521 11.178 1.00 32.18 A +ATOM 1469 CB TYR A 199 26.737 32.076 12.152 1.00 30.78 A +ATOM 1470 CG TYR A 199 28.094 31.600 12.634 1.00 27.62 A +ATOM 1471 CD1 TYR A 199 29.260 31.990 11.986 1.00 28.13 A +ATOM 1472 CD2 TYR A 199 28.204 30.711 13.703 1.00 26.16 A +ATOM 1473 CE1 TYR A 199 30.504 31.507 12.383 1.00 28.42 A +ATOM 1474 CE2 TYR A 199 29.441 30.226 14.110 1.00 27.48 A +ATOM 1475 CZ TYR A 199 30.589 30.631 13.440 1.00 27.43 A +ATOM 1476 OH TYR A 199 31.825 30.150 13.820 1.00 29.97 A +ATOM 1477 N GLU A 200 23.740 30.331 10.794 1.00 29.51 A +ATOM 1478 CA GLU A 200 22.324 30.516 10.490 1.00 30.63 A +ATOM 1479 C GLU A 200 21.425 30.573 11.713 1.00 28.43 A +ATOM 1480 O GLU A 200 21.490 29.707 12.576 1.00 29.68 A +ATOM 1481 CB GLU A 200 21.816 29.389 9.572 1.00 31.75 A +ATOM 1482 CG GLU A 200 20.406 29.642 9.046 1.00 30.59 A +ATOM 1483 CD GLU A 200 19.810 28.456 8.296 1.00 36.89 A +ATOM 1484 OE1 GLU A 200 20.513 27.440 8.091 1.00 31.26 A +ATOM 1485 OE2 GLU A 200 18.624 28.549 7.908 1.00 29.90 A +ATOM 1486 N VAL A 201 20.564 31.582 11.753 1.00 28.33 A +ATOM 1487 CA VAL A 201 19.623 31.758 12.854 1.00 25.70 A +ATOM 1488 C VAL A 201 18.206 31.924 12.301 1.00 31.03 A +ATOM 1489 O VAL A 201 18.007 32.040 11.086 1.00 29.73 A +ATOM 1490 CB VAL A 201 19.965 33.018 13.682 1.00 26.66 A +ATOM 1491 CG1 VAL A 201 21.345 32.884 14.292 1.00 25.48 A +ATOM 1492 CG2 VAL A 201 19.904 34.249 12.786 1.00 27.84 A +ATOM 1493 N ILE A 202 17.225 31.957 13.197 1.00 28.97 A +ATOM 1494 CA ILE A 202 15.836 32.110 12.791 1.00 31.19 A +ATOM 1495 C ILE A 202 15.168 33.348 13.387 1.00 31.95 A +ATOM 1496 O ILE A 202 15.086 33.491 14.604 1.00 32.43 A +ATOM 1497 CB ILE A 202 15.005 30.866 13.188 1.00 30.35 A +ATOM 1498 CG1 ILE A 202 15.448 29.659 12.351 1.00 36.98 A +ATOM 1499 CG2 ILE A 202 13.513 31.161 13.000 1.00 32.26 A +ATOM 1500 CD1 ILE A 202 14.834 28.328 12.781 1.00 38.07 A +ATOM 1501 N ILE A 203 14.710 34.247 12.520 1.00 30.69 A +ATOM 1502 CA ILE A 203 14.018 35.461 12.947 1.00 32.31 A +ATOM 1503 C ILE A 203 12.543 35.082 13.027 1.00 33.22 A +ATOM 1504 O ILE A 203 11.977 34.569 12.056 1.00 34.03 A +ATOM 1505 CB ILE A 203 14.192 36.585 11.918 1.00 32.53 A +ATOM 1506 CG1 ILE A 203 15.661 37.004 11.862 1.00 33.50 A +ATOM 1507 CG2 ILE A 203 13.283 37.771 12.267 1.00 31.23 A +ATOM 1508 CD1 ILE A 203 15.978 37.889 10.694 1.00 30.95 A +ATOM 1509 N VAL A 204 11.913 35.340 14.166 1.00 33.06 A +ATOM 1510 CA VAL A 204 10.515 34.954 14.341 1.00 30.62 A +ATOM 1511 C VAL A 204 9.498 36.079 14.276 1.00 33.24 A +ATOM 1512 O VAL A 204 8.295 35.828 14.203 1.00 35.49 A +ATOM 1513 CB VAL A 204 10.328 34.216 15.670 1.00 33.33 A +ATOM 1514 CG1 VAL A 204 11.245 33.000 15.715 1.00 33.80 A +ATOM 1515 CG2 VAL A 204 10.630 35.155 16.833 1.00 28.89 A +ATOM 1516 N ARG A 205 9.972 37.318 14.294 1.00 34.72 A +ATOM 1517 CA ARG A 205 9.076 38.461 14.248 1.00 33.13 A +ATOM 1518 C ARG A 205 9.873 39.727 13.975 1.00 33.54 A +ATOM 1519 O ARG A 205 11.052 39.810 14.318 1.00 32.93 A +ATOM 1520 CB ARG A 205 8.342 38.586 15.588 1.00 33.62 A +ATOM 1521 CG ARG A 205 7.397 39.772 15.716 1.00 37.65 A +ATOM 1522 CD ARG A 205 6.848 39.872 17.153 1.00 41.44 A +ATOM 1523 NE ARG A 205 6.253 38.608 17.593 1.00 44.12 A +ATOM 1524 CZ ARG A 205 5.846 38.351 18.834 1.00 44.31 A +ATOM 1525 NH1 ARG A 205 5.960 39.269 19.787 1.00 39.48 A +ATOM 1526 NH2 ARG A 205 5.341 37.159 19.126 1.00 43.86 A +ATOM 1527 N VAL A 206 9.236 40.703 13.340 1.00 31.56 A +ATOM 1528 CA VAL A 206 9.893 41.968 13.062 1.00 33.64 A +ATOM 1529 C VAL A 206 8.925 43.104 13.349 1.00 35.85 A +ATOM 1530 O VAL A 206 7.755 43.039 12.968 1.00 34.54 A +ATOM 1531 CB VAL A 206 10.354 42.081 11.586 1.00 35.97 A +ATOM 1532 CG1 VAL A 206 11.031 43.437 11.363 1.00 34.85 A +ATOM 1533 CG2 VAL A 206 11.317 40.956 11.247 1.00 32.69 A +ATOM 1534 N GLU A 207 9.409 44.130 14.039 1.00 31.15 A +ATOM 1535 CA GLU A 207 8.595 45.294 14.358 1.00 34.66 A +ATOM 1536 C GLU A 207 9.366 46.551 14.001 1.00 32.41 A +ATOM 1537 O GLU A 207 10.591 46.587 14.106 1.00 33.33 A +ATOM 1538 CB GLU A 207 8.263 45.362 15.852 1.00 35.43 A +ATOM 1539 CG GLU A 207 7.469 44.202 16.398 1.00 39.99 A +ATOM 1540 CD GLU A 207 7.075 44.420 17.850 1.00 45.70 A +ATOM 1541 OE1 GLU A 207 7.905 44.949 18.625 1.00 42.08 A +ATOM 1542 OE2 GLU A 207 5.939 44.052 18.217 1.00 46.16 A +ATOM 1543 N ILE A 208 8.639 47.578 13.581 1.00 36.87 A +ATOM 1544 CA ILE A 208 9.237 48.864 13.239 1.00 37.27 A +ATOM 1545 C ILE A 208 8.494 49.885 14.096 1.00 37.93 A +ATOM 1546 O ILE A 208 7.289 50.069 13.947 1.00 37.39 A +ATOM 1547 CB ILE A 208 9.079 49.163 11.731 1.00 38.18 A +ATOM 1548 CG1 ILE A 208 9.914 48.155 10.931 1.00 40.58 A +ATOM 1549 CG2 ILE A 208 9.548 50.582 11.420 1.00 33.50 A +ATOM 1550 CD1 ILE A 208 9.831 48.325 9.436 1.00 41.67 A +ATOM 1551 N ASN A 209 9.215 50.536 15.004 1.00 36.83 A +ATOM 1552 CA ASN A 209 8.601 51.490 15.922 1.00 38.04 A +ATOM 1553 C ASN A 209 7.436 50.818 16.652 1.00 38.86 A +ATOM 1554 O ASN A 209 6.340 51.372 16.740 1.00 37.08 A +ATOM 1555 CB ASN A 209 8.105 52.739 15.183 1.00 36.60 A +ATOM 1556 CG ASN A 209 9.082 53.903 15.286 1.00 40.99 A +ATOM 1557 OD1 ASN A 209 10.180 53.759 15.829 1.00 36.85 A +ATOM 1558 ND2 ASN A 209 8.687 55.063 14.766 1.00 40.33 A +ATOM 1559 N GLY A 210 7.681 49.609 17.150 1.00 38.44 A +ATOM 1560 CA GLY A 210 6.669 48.879 17.896 1.00 41.82 A +ATOM 1561 C GLY A 210 5.493 48.289 17.140 1.00 45.44 A +ATOM 1562 O GLY A 210 4.544 47.809 17.759 1.00 49.66 A +ATOM 1563 N GLN A 211 5.532 48.324 15.813 1.00 44.77 A +ATOM 1564 CA GLN A 211 4.442 47.764 15.022 1.00 47.34 A +ATOM 1565 C GLN A 211 4.912 46.569 14.210 1.00 44.46 A +ATOM 1566 O GLN A 211 5.878 46.656 13.456 1.00 46.15 A +ATOM 1567 CB GLN A 211 3.839 48.817 14.088 1.00 51.09 A +ATOM 1568 CG GLN A 211 2.924 48.223 13.015 1.00 56.66 A +ATOM 1569 CD GLN A 211 2.088 49.266 12.289 1.00 63.39 A +ATOM 1570 OE1 GLN A 211 1.105 49.785 12.831 1.00 62.24 A +ATOM 1571 NE2 GLN A 211 2.479 49.583 11.057 1.00 63.46 A +ATOM 1572 N ASP A 212 4.213 45.456 14.380 1.00 43.79 A +ATOM 1573 CA ASP A 212 4.520 44.205 13.699 1.00 41.72 A +ATOM 1574 C ASP A 212 4.365 44.370 12.189 1.00 44.10 A +ATOM 1575 O ASP A 212 3.419 45.004 11.726 1.00 43.82 A +ATOM 1576 CB ASP A 212 3.555 43.125 14.204 1.00 45.15 A +ATOM 1577 CG ASP A 212 3.978 41.720 13.821 1.00 42.90 A +ATOM 1578 OD1 ASP A 212 4.411 41.503 12.674 1.00 44.06 A +ATOM 1579 OD2 ASP A 212 3.856 40.820 14.672 1.00 49.49 A +ATOM 1580 N LEU A 213 5.298 43.808 11.423 1.00 42.23 A +ATOM 1581 CA LEU A 213 5.224 43.878 9.964 1.00 42.63 A +ATOM 1582 C LEU A 213 4.120 42.938 9.476 1.00 44.22 A +ATOM 1583 O LEU A 213 3.627 43.063 8.359 1.00 46.39 A +ATOM 1584 CB LEU A 213 6.564 43.488 9.334 1.00 43.07 A +ATOM 1585 CG LEU A 213 7.534 44.651 9.114 1.00 47.76 A +ATOM 1586 CD1 LEU A 213 7.920 45.251 10.453 1.00 51.32 A +ATOM 1587 CD2 LEU A 213 8.764 44.164 8.362 1.00 45.54 A +ATOM 1588 N LYS A 214 3.749 41.990 10.331 1.00 45.31 A +ATOM 1589 CA LYS A 214 2.682 41.039 10.048 1.00 49.26 A +ATOM 1590 C LYS A 214 2.837 40.193 8.791 1.00 50.80 A +ATOM 1591 O LYS A 214 1.861 39.912 8.098 1.00 53.78 A +ATOM 1592 CB LYS A 214 1.342 41.780 10.011 1.00 51.61 A +ATOM 1593 CG LYS A 214 0.926 42.339 11.365 1.00 55.33 A +ATOM 1594 CD LYS A 214 -0.160 43.400 11.232 1.00 60.21 A +ATOM 1595 CE LYS A 214 -1.416 42.853 10.570 1.00 63.56 A +ATOM 1596 NZ LYS A 214 -2.464 43.912 10.431 1.00 65.47 A +ATOM 1597 N MET A 215 4.064 39.777 8.504 1.00 48.22 A +ATOM 1598 CA MET A 215 4.323 38.933 7.350 1.00 46.31 A +ATOM 1599 C MET A 215 4.505 37.515 7.870 1.00 46.23 A +ATOM 1600 O MET A 215 4.762 37.318 9.057 1.00 43.31 A +ATOM 1601 CB MET A 215 5.612 39.359 6.646 1.00 46.09 A +ATOM 1602 CG MET A 215 5.595 40.749 6.055 1.00 48.89 A +ATOM 1603 SD MET A 215 7.191 41.157 5.314 1.00 52.45 A +ATOM 1604 CE MET A 215 7.344 39.862 4.125 1.00 49.86 A +ATOM 1605 N ASP A 216 4.348 36.527 6.995 1.00 45.42 A +ATOM 1606 CA ASP A 216 4.569 35.144 7.396 1.00 46.56 A +ATOM 1607 C ASP A 216 6.047 35.146 7.790 1.00 44.75 A +ATOM 1608 O ASP A 216 6.899 35.584 7.012 1.00 40.23 A +ATOM 1609 CB ASP A 216 4.311 34.204 6.212 1.00 50.46 A +ATOM 1610 CG ASP A 216 4.781 32.786 6.475 1.00 53.86 A +ATOM 1611 OD1 ASP A 216 4.748 32.346 7.642 1.00 57.72 A +ATOM 1612 OD2 ASP A 216 5.171 32.104 5.507 1.00 60.51 A +ATOM 1613 N CYS A 217 6.351 34.677 8.995 1.00 42.31 A +ATOM 1614 CA CYS A 217 7.727 34.700 9.468 1.00 42.31 A +ATOM 1615 C CYS A 217 8.729 33.948 8.592 1.00 40.76 A +ATOM 1616 O CYS A 217 9.930 34.188 8.695 1.00 38.14 A +ATOM 1617 CB CYS A 217 7.797 34.247 10.938 1.00 41.18 A +ATOM 1618 SG CYS A 217 7.305 32.535 11.313 1.00 49.54 A +ATOM 1619 N LYS A 218 8.251 33.067 7.716 1.00 38.70 A +ATOM 1620 CA LYS A 218 9.154 32.347 6.812 1.00 39.76 A +ATOM 1621 C LYS A 218 9.816 33.341 5.858 1.00 37.89 A +ATOM 1622 O LYS A 218 10.940 33.127 5.402 1.00 38.58 A +ATOM 1623 CB LYS A 218 8.403 31.315 5.971 1.00 40.52 A +ATOM 1624 CG LYS A 218 8.154 29.985 6.636 1.00 44.77 A +ATOM 1625 CD LYS A 218 7.592 28.993 5.625 1.00 43.16 A +ATOM 1626 CE LYS A 218 7.194 27.691 6.288 1.00 43.17 A +ATOM 1627 NZ LYS A 218 8.356 27.011 6.907 1.00 41.82 A +ATOM 1628 N GLU A 219 9.097 34.417 5.545 1.00 36.04 A +ATOM 1629 CA GLU A 219 9.603 35.452 4.649 1.00 38.45 A +ATOM 1630 C GLU A 219 10.850 36.114 5.239 1.00 38.89 A +ATOM 1631 O GLU A 219 11.731 36.556 4.503 1.00 38.90 A +ATOM 1632 CB GLU A 219 8.539 36.531 4.418 1.00 41.40 A +ATOM 1633 CG GLU A 219 7.221 36.061 3.805 1.00 44.93 A +ATOM 1634 CD GLU A 219 7.359 35.620 2.360 1.00 48.84 A +ATOM 1635 OE1 GLU A 219 8.355 36.000 1.707 1.00 44.95 A +ATOM 1636 OE2 GLU A 219 6.458 34.903 1.875 1.00 51.37 A +ATOM 1637 N TYR A 220 10.909 36.190 6.567 1.00 35.50 A +ATOM 1638 CA TYR A 220 12.040 36.814 7.257 1.00 36.47 A +ATOM 1639 C TYR A 220 13.306 35.988 7.070 1.00 36.22 A +ATOM 1640 O TYR A 220 14.413 36.517 7.086 1.00 38.45 A +ATOM 1641 CB TYR A 220 11.737 36.950 8.754 1.00 35.30 A +ATOM 1642 CG TYR A 220 10.543 37.827 9.064 1.00 36.61 A +ATOM 1643 CD1 TYR A 220 9.706 37.542 10.135 1.00 34.52 A +ATOM 1644 CD2 TYR A 220 10.258 38.947 8.289 1.00 38.40 A +ATOM 1645 CE1 TYR A 220 8.616 38.344 10.428 1.00 35.03 A +ATOM 1646 CE2 TYR A 220 9.174 39.754 8.574 1.00 38.93 A +ATOM 1647 CZ TYR A 220 8.357 39.447 9.644 1.00 37.92 A +ATOM 1648 OH TYR A 220 7.276 40.250 9.932 1.00 41.10 A +ATOM 1649 N ASN A 221 13.130 34.685 6.882 1.00 34.50 A +ATOM 1650 CA ASN A 221 14.255 33.784 6.699 1.00 32.80 A +ATOM 1651 C ASN A 221 14.187 33.138 5.310 1.00 35.34 A +ATOM 1652 O ASN A 221 14.804 32.100 5.076 1.00 32.50 A +ATOM 1653 CB ASN A 221 14.217 32.701 7.781 1.00 34.52 A +ATOM 1654 CG ASN A 221 13.975 33.273 9.174 1.00 39.79 A +ATOM 1655 OD1 ASN A 221 14.814 33.997 9.719 1.00 34.62 A +ATOM 1656 ND2 ASN A 221 12.818 32.956 9.754 1.00 37.09 A +ATOM 1657 N TYR A 222 13.446 33.759 4.396 1.00 41.71 A +ATOM 1658 CA TYR A 222 13.289 33.203 3.056 1.00 41.15 A +ATOM 1659 C TYR A 222 14.626 32.896 2.444 1.00 45.84 A +ATOM 1660 O TYR A 222 15.336 33.782 1.954 1.00 42.76 A +ATOM 1661 CB TYR A 222 12.503 34.129 2.137 1.00 45.37 A +ATOM 1662 CG TYR A 222 12.390 33.576 0.730 1.00 48.26 A +ATOM 1663 CD1 TYR A 222 12.171 32.219 0.517 1.00 51.65 A +ATOM 1664 CD2 TYR A 222 12.498 34.402 -0.377 1.00 51.63 A +ATOM 1665 CE1 TYR A 222 12.060 31.700 -0.761 1.00 54.53 A +ATOM 1666 CE2 TYR A 222 12.388 33.893 -1.663 1.00 56.74 A +ATOM 1667 CZ TYR A 222 12.169 32.541 -1.846 1.00 55.80 A +ATOM 1668 OH TYR A 222 12.055 32.031 -3.119 1.00 62.14 A +ATOM 1669 N ASP A 223 14.922 31.603 2.467 1.00 49.04 A +ATOM 1670 CA ASP A 223 16.157 31.026 1.996 1.00 46.40 A +ATOM 1671 C ASP A 223 16.908 30.764 3.295 1.00 41.12 A +ATOM 1672 O ASP A 223 17.039 29.615 3.710 1.00 39.62 A +ATOM 1673 CB ASP A 223 16.919 32.004 1.104 1.00 52.29 A +ATOM 1674 CG ASP A 223 18.185 31.408 0.545 1.00 50.89 A +ATOM 1675 OD1 ASP A 223 18.122 30.304 -0.031 1.00 57.10 A +ATOM 1676 OD2 ASP A 223 19.243 32.046 0.677 1.00 58.90 A +ATOM 1677 N LYS A 224 17.353 31.830 3.958 1.00 37.88 A +ATOM 1678 CA LYS A 224 18.086 31.693 5.225 1.00 38.52 A +ATOM 1679 C LYS A 224 18.382 33.042 5.877 1.00 35.83 A +ATOM 1680 O LYS A 224 18.258 34.090 5.253 1.00 34.24 A +ATOM 1681 CB LYS A 224 19.419 30.976 4.985 1.00 37.51 A +ATOM 1682 CG LYS A 224 20.366 31.764 4.072 1.00 40.23 A +ATOM 1683 CD LYS A 224 21.701 31.061 3.891 1.00 39.06 A +ATOM 1684 CE LYS A 224 22.562 31.746 2.841 1.00 44.48 A +ATOM 1685 NZ LYS A 224 21.918 31.772 1.492 1.00 46.98 A +ATOM 1686 N SER A 225 18.777 33.004 7.145 1.00 35.68 A +ATOM 1687 CA SER A 225 19.146 34.214 7.878 1.00 33.47 A +ATOM 1688 C SER A 225 20.491 33.906 8.530 1.00 33.27 A +ATOM 1689 O SER A 225 20.629 32.904 9.228 1.00 32.57 A +ATOM 1690 CB SER A 225 18.100 34.553 8.948 1.00 34.70 A +ATOM 1691 OG SER A 225 16.974 35.207 8.379 1.00 33.25 A +ATOM 1692 N ILE A 226 21.480 34.760 8.297 1.00 33.95 A +ATOM 1693 CA ILE A 226 22.812 34.533 8.847 1.00 31.19 A +ATOM 1694 C ILE A 226 23.396 35.784 9.512 1.00 33.65 A +ATOM 1695 O ILE A 226 22.959 36.903 9.255 1.00 28.51 A +ATOM 1696 CB ILE A 226 23.795 34.100 7.734 1.00 32.37 A +ATOM 1697 CG1 ILE A 226 24.047 35.284 6.797 1.00 30.25 A +ATOM 1698 CG2 ILE A 226 23.208 32.940 6.918 1.00 27.89 A +ATOM 1699 CD1 ILE A 226 25.086 35.013 5.723 1.00 32.14 A +ATOM 1700 N VAL A 227 24.388 35.578 10.374 1.00 33.43 A +ATOM 1701 CA VAL A 227 25.066 36.685 11.042 1.00 31.72 A +ATOM 1702 C VAL A 227 26.411 36.799 10.336 1.00 31.81 A +ATOM 1703 O VAL A 227 27.185 35.842 10.311 1.00 35.55 A +ATOM 1704 CB VAL A 227 25.317 36.387 12.528 1.00 29.46 A +ATOM 1705 CG1 VAL A 227 26.001 37.583 13.173 1.00 31.01 A +ATOM 1706 CG2 VAL A 227 23.999 36.069 13.228 1.00 31.44 A +ATOM 1707 N ASP A 228 26.698 37.960 9.762 1.00 32.20 A +ATOM 1708 CA ASP A 228 27.944 38.113 9.028 1.00 33.76 A +ATOM 1709 C ASP A 228 28.697 39.414 9.287 1.00 31.10 A +ATOM 1710 O ASP A 228 28.318 40.475 8.801 1.00 31.71 A +ATOM 1711 CB ASP A 228 27.651 37.955 7.532 1.00 35.57 A +ATOM 1712 CG ASP A 228 28.884 38.110 6.673 1.00 36.97 A +ATOM 1713 OD1 ASP A 228 30.008 37.962 7.200 1.00 35.57 A +ATOM 1714 OD2 ASP A 228 28.722 38.365 5.466 1.00 34.28 A +ATOM 1715 N SER A 229 29.773 39.306 10.061 1.00 31.14 A +ATOM 1716 CA SER A 229 30.613 40.444 10.399 1.00 34.24 A +ATOM 1717 C SER A 229 31.279 41.019 9.149 1.00 34.88 A +ATOM 1718 O SER A 229 31.798 42.134 9.176 1.00 35.87 A +ATOM 1719 CB SER A 229 31.694 40.010 11.393 1.00 33.01 A +ATOM 1720 OG SER A 229 32.537 39.019 10.823 1.00 34.73 A +ATOM 1721 N GLY A 230 31.256 40.250 8.061 1.00 33.61 A +ATOM 1722 CA GLY A 230 31.871 40.685 6.817 1.00 30.45 A +ATOM 1723 C GLY A 230 30.950 41.430 5.865 1.00 33.64 A +ATOM 1724 O GLY A 230 31.341 41.783 4.746 1.00 32.08 A +ATOM 1725 N THR A 231 29.711 41.648 6.286 1.00 30.85 A +ATOM 1726 CA THR A 231 28.771 42.399 5.464 1.00 32.52 A +ATOM 1727 C THR A 231 28.432 43.666 6.236 1.00 33.05 A +ATOM 1728 O THR A 231 28.118 43.613 7.427 1.00 34.92 A +ATOM 1729 CB THR A 231 27.481 41.594 5.181 1.00 34.69 A +ATOM 1730 OG1 THR A 231 27.783 40.509 4.295 1.00 34.00 A +ATOM 1731 CG2 THR A 231 26.426 42.478 4.542 1.00 31.19 A +ATOM 1732 N THR A 232 28.516 44.804 5.556 1.00 31.94 A +ATOM 1733 CA THR A 232 28.241 46.100 6.158 1.00 33.25 A +ATOM 1734 C THR A 232 26.786 46.317 6.547 1.00 35.67 A +ATOM 1735 O THR A 232 26.478 46.678 7.684 1.00 36.26 A +ATOM 1736 CB THR A 232 28.626 47.254 5.194 1.00 34.55 A +ATOM 1737 OG1 THR A 232 30.014 47.163 4.858 1.00 37.52 A +ATOM 1738 CG2 THR A 232 28.363 48.601 5.848 1.00 39.58 A +ATOM 1739 N ASN A 233 25.895 46.096 5.587 1.00 34.21 A +ATOM 1740 CA ASN A 233 24.471 46.329 5.773 1.00 35.44 A +ATOM 1741 C ASN A 233 23.635 45.227 6.399 1.00 34.99 A +ATOM 1742 O ASN A 233 24.090 44.106 6.636 1.00 32.48 A +ATOM 1743 CB ASN A 233 23.810 46.631 4.425 1.00 35.84 A +ATOM 1744 CG ASN A 233 24.396 47.834 3.732 1.00 37.78 A +ATOM 1745 OD1 ASN A 233 25.285 48.502 4.251 1.00 39.51 A +ATOM 1746 ND2 ASN A 233 23.889 48.119 2.539 1.00 38.73 A +ATOM 1747 N LEU A 234 22.377 45.595 6.628 1.00 33.88 A +ATOM 1748 CA LEU A 234 21.357 44.690 7.116 1.00 34.44 A +ATOM 1749 C LEU A 234 20.779 44.364 5.739 1.00 32.09 A +ATOM 1750 O LEU A 234 20.262 45.252 5.071 1.00 33.23 A +ATOM 1751 CB LEU A 234 20.300 45.440 7.935 1.00 31.82 A +ATOM 1752 CG LEU A 234 19.280 44.671 8.791 1.00 36.19 A +ATOM 1753 CD1 LEU A 234 17.947 45.401 8.744 1.00 35.33 A +ATOM 1754 CD2 LEU A 234 19.114 43.250 8.311 1.00 30.00 A +ATOM 1755 N ARG A 235 20.906 43.123 5.291 1.00 34.78 A +ATOM 1756 CA ARG A 235 20.376 42.759 3.983 1.00 37.12 A +ATOM 1757 C ARG A 235 19.111 41.939 4.189 1.00 37.83 A +ATOM 1758 O ARG A 235 19.109 40.968 4.938 1.00 36.94 A +ATOM 1759 CB ARG A 235 21.425 41.976 3.184 1.00 38.90 A +ATOM 1760 CG ARG A 235 22.726 42.761 2.959 1.00 37.95 A +ATOM 1761 CD ARG A 235 23.689 42.010 2.048 1.00 44.14 A +ATOM 1762 NE ARG A 235 23.167 41.917 0.689 1.00 50.20 A +ATOM 1763 CZ ARG A 235 22.926 40.777 0.052 1.00 52.73 A +ATOM 1764 NH1 ARG A 235 22.447 40.805 -1.182 1.00 55.11 A +ATOM 1765 NH2 ARG A 235 23.168 39.611 0.643 1.00 51.36 A +ATOM 1766 N LEU A 236 18.040 42.341 3.514 1.00 37.56 A +ATOM 1767 CA LEU A 236 16.748 41.686 3.663 1.00 36.82 A +ATOM 1768 C LEU A 236 16.160 41.150 2.368 1.00 38.32 A +ATOM 1769 O LEU A 236 16.286 41.768 1.308 1.00 38.84 A +ATOM 1770 CB LEU A 236 15.746 42.673 4.263 1.00 31.73 A +ATOM 1771 CG LEU A 236 16.059 43.300 5.620 1.00 34.65 A +ATOM 1772 CD1 LEU A 236 15.042 44.400 5.905 1.00 38.35 A +ATOM 1773 CD2 LEU A 236 16.021 42.226 6.706 1.00 33.81 A +ATOM 1774 N PRO A 237 15.488 39.994 2.439 1.00 39.83 A +ATOM 1775 CA PRO A 237 14.895 39.444 1.217 1.00 39.29 A +ATOM 1776 C PRO A 237 13.898 40.430 0.621 1.00 40.78 A +ATOM 1777 O PRO A 237 13.231 41.176 1.346 1.00 40.18 A +ATOM 1778 CB PRO A 237 14.259 38.129 1.681 1.00 39.85 A +ATOM 1779 CG PRO A 237 14.161 38.259 3.187 1.00 44.39 A +ATOM 1780 CD PRO A 237 15.361 39.065 3.576 1.00 40.11 A +ATOM 1781 N LYS A 238 13.816 40.430 -0.706 1.00 39.52 A +ATOM 1782 CA LYS A 238 12.945 41.333 -1.457 1.00 42.56 A +ATOM 1783 C LYS A 238 11.653 41.782 -0.780 1.00 41.04 A +ATOM 1784 O LYS A 238 11.469 42.971 -0.504 1.00 39.73 A +ATOM 1785 CB LYS A 238 12.608 40.715 -2.819 1.00 47.52 A +ATOM 1786 CG LYS A 238 11.757 41.605 -3.713 1.00 51.46 A +ATOM 1787 CD LYS A 238 11.500 40.944 -5.059 1.00 55.54 A +ATOM 1788 CE LYS A 238 10.747 41.867 -6.003 1.00 58.19 A +ATOM 1789 NZ LYS A 238 10.561 41.233 -7.339 1.00 61.23 A +ATOM 1790 N LYS A 239 10.752 40.842 -0.520 1.00 43.00 A +ATOM 1791 CA LYS A 239 9.478 41.182 0.104 1.00 44.88 A +ATOM 1792 C LYS A 239 9.644 41.895 1.439 1.00 45.12 A +ATOM 1793 O LYS A 239 8.956 42.881 1.715 1.00 43.76 A +ATOM 1794 CB LYS A 239 8.622 39.923 0.280 1.00 49.12 A +ATOM 1795 CG LYS A 239 8.250 39.270 -1.043 1.00 58.88 A +ATOM 1796 CD LYS A 239 7.249 38.138 -0.870 1.00 63.95 A +ATOM 1797 CE LYS A 239 6.806 37.601 -2.226 1.00 64.54 A +ATOM 1798 NZ LYS A 239 5.827 36.483 -2.095 1.00 70.48 A +ATOM 1799 N VAL A 240 10.565 41.406 2.264 1.00 42.87 A +ATOM 1800 CA VAL A 240 10.805 42.010 3.567 1.00 40.19 A +ATOM 1801 C VAL A 240 11.419 43.395 3.402 1.00 37.50 A +ATOM 1802 O VAL A 240 11.040 44.341 4.094 1.00 36.84 A +ATOM 1803 CB VAL A 240 11.738 41.123 4.422 1.00 38.75 A +ATOM 1804 CG1 VAL A 240 11.938 41.740 5.796 1.00 36.06 A +ATOM 1805 CG2 VAL A 240 11.136 39.735 4.555 1.00 38.73 A +ATOM 1806 N PHE A 241 12.363 43.511 2.474 1.00 35.98 A +ATOM 1807 CA PHE A 241 13.022 44.785 2.206 1.00 37.17 A +ATOM 1808 C PHE A 241 12.003 45.856 1.814 1.00 37.47 A +ATOM 1809 O PHE A 241 12.069 46.993 2.279 1.00 38.61 A +ATOM 1810 CB PHE A 241 14.032 44.631 1.069 1.00 38.65 A +ATOM 1811 CG PHE A 241 14.651 45.931 0.634 1.00 37.59 A +ATOM 1812 CD1 PHE A 241 15.665 46.515 1.377 1.00 38.78 A +ATOM 1813 CD2 PHE A 241 14.201 46.582 -0.503 1.00 41.35 A +ATOM 1814 CE1 PHE A 241 16.218 47.728 0.995 1.00 39.03 A +ATOM 1815 CE2 PHE A 241 14.753 47.796 -0.888 1.00 42.44 A +ATOM 1816 CZ PHE A 241 15.762 48.367 -0.136 1.00 41.21 A +ATOM 1817 N GLU A 242 11.066 45.489 0.948 1.00 38.11 A +ATOM 1818 CA GLU A 242 10.057 46.434 0.495 1.00 42.30 A +ATOM 1819 C GLU A 242 9.150 46.903 1.629 1.00 42.55 A +ATOM 1820 O GLU A 242 8.883 48.097 1.759 1.00 42.37 A +ATOM 1821 CB GLU A 242 9.239 45.813 -0.641 1.00 48.00 A +ATOM 1822 CG GLU A 242 10.111 45.352 -1.810 1.00 50.36 A +ATOM 1823 CD GLU A 242 9.312 44.834 -2.987 1.00 57.56 A +ATOM 1824 OE1 GLU A 242 8.384 44.021 -2.776 1.00 61.17 A +ATOM 1825 OE2 GLU A 242 9.619 45.232 -4.132 1.00 60.93 A +ATOM 1826 N ALA A 243 8.691 45.973 2.462 1.00 39.44 A +ATOM 1827 CA ALA A 243 7.823 46.343 3.578 1.00 40.14 A +ATOM 1828 C ALA A 243 8.534 47.284 4.547 1.00 38.82 A +ATOM 1829 O ALA A 243 7.941 48.248 5.040 1.00 39.60 A +ATOM 1830 CB ALA A 243 7.353 45.093 4.314 1.00 44.18 A +ATOM 1831 N ALA A 244 9.809 47.008 4.813 1.00 38.77 A +ATOM 1832 CA ALA A 244 10.596 47.827 5.731 1.00 38.87 A +ATOM 1833 C ALA A 244 10.826 49.236 5.198 1.00 40.96 A +ATOM 1834 O ALA A 244 10.647 50.215 5.924 1.00 40.29 A +ATOM 1835 CB ALA A 244 11.940 47.155 6.018 1.00 40.82 A +ATOM 1836 N VAL A 245 11.236 49.339 3.936 1.00 42.13 A +ATOM 1837 CA VAL A 245 11.474 50.647 3.328 1.00 42.54 A +ATOM 1838 C VAL A 245 10.175 51.446 3.330 1.00 41.26 A +ATOM 1839 O VAL A 245 10.165 52.623 3.665 1.00 40.89 A +ATOM 1840 CB VAL A 245 11.985 50.515 1.876 1.00 42.60 A +ATOM 1841 CG1 VAL A 245 12.004 51.877 1.205 1.00 46.13 A +ATOM 1842 CG2 VAL A 245 13.379 49.918 1.872 1.00 42.09 A +ATOM 1843 N LYS A 246 9.081 50.793 2.963 1.00 43.79 A +ATOM 1844 CA LYS A 246 7.779 51.447 2.946 1.00 47.04 A +ATOM 1845 C LYS A 246 7.486 52.050 4.314 1.00 46.84 A +ATOM 1846 O LYS A 246 7.038 53.191 4.420 1.00 48.13 A +ATOM 1847 CB LYS A 246 6.692 50.438 2.583 1.00 50.44 A +ATOM 1848 CG LYS A 246 5.282 50.991 2.658 1.00 56.45 A +ATOM 1849 CD LYS A 246 4.267 49.954 2.199 1.00 61.61 A +ATOM 1850 CE LYS A 246 2.845 50.449 2.403 1.00 65.94 A +ATOM 1851 NZ LYS A 246 2.639 51.772 1.754 1.00 71.24 A +ATOM 1852 N SER A 247 7.754 51.276 5.363 1.00 46.86 A +ATOM 1853 CA SER A 247 7.519 51.726 6.729 1.00 43.03 A +ATOM 1854 C SER A 247 8.480 52.840 7.136 1.00 41.10 A +ATOM 1855 O SER A 247 8.075 53.834 7.740 1.00 38.73 A +ATOM 1856 CB SER A 247 7.651 50.543 7.696 1.00 45.54 A +ATOM 1857 OG SER A 247 7.637 50.981 9.042 1.00 49.08 A +ATOM 1858 N ILE A 248 9.754 52.679 6.802 1.00 40.15 A +ATOM 1859 CA ILE A 248 10.746 53.689 7.153 1.00 41.99 A +ATOM 1860 C ILE A 248 10.466 54.977 6.380 1.00 43.96 A +ATOM 1861 O ILE A 248 10.638 56.078 6.908 1.00 41.75 A +ATOM 1862 CB ILE A 248 12.180 53.191 6.851 1.00 43.29 A +ATOM 1863 CG1 ILE A 248 12.482 51.949 7.694 1.00 42.36 A +ATOM 1864 CG2 ILE A 248 13.189 54.278 7.168 1.00 42.52 A +ATOM 1865 CD1 ILE A 248 13.794 51.271 7.360 1.00 38.13 A +ATOM 1866 N LYS A 249 10.025 54.835 5.132 1.00 44.09 A +ATOM 1867 CA LYS A 249 9.706 55.998 4.308 1.00 46.05 A +ATOM 1868 C LYS A 249 8.582 56.795 4.949 1.00 43.79 A +ATOM 1869 O LYS A 249 8.705 58.000 5.166 1.00 43.87 A +ATOM 1870 CB LYS A 249 9.254 55.575 2.907 1.00 48.96 A +ATOM 1871 CG LYS A 249 10.363 55.297 1.909 1.00 51.64 A +ATOM 1872 CD LYS A 249 9.756 54.970 0.547 1.00 53.55 A +ATOM 1873 CE LYS A 249 10.812 54.848 -0.536 1.00 53.53 A +ATOM 1874 NZ LYS A 249 10.201 54.435 -1.828 1.00 51.00 A +ATOM 1875 N ALA A 250 7.484 56.106 5.245 1.00 44.88 A +ATOM 1876 CA ALA A 250 6.309 56.730 5.844 1.00 45.42 A +ATOM 1877 C ALA A 250 6.608 57.454 7.147 1.00 45.90 A +ATOM 1878 O ALA A 250 6.037 58.509 7.419 1.00 48.09 A +ATOM 1879 CB ALA A 250 5.231 55.685 6.071 1.00 44.60 A +ATOM 1880 N ALA A 251 7.499 56.890 7.955 1.00 44.39 A +ATOM 1881 CA ALA A 251 7.840 57.505 9.232 1.00 44.01 A +ATOM 1882 C ALA A 251 8.700 58.744 9.060 1.00 44.93 A +ATOM 1883 O ALA A 251 8.707 59.624 9.919 1.00 44.50 A +ATOM 1884 CB ALA A 251 8.554 56.497 10.128 1.00 40.67 A +ATOM 1885 N SER A 252 9.419 58.821 7.945 1.00 46.57 A +ATOM 1886 CA SER A 252 10.291 59.961 7.687 1.00 49.11 A +ATOM 1887 C SER A 252 9.790 60.836 6.538 1.00 52.00 A +ATOM 1888 O SER A 252 10.545 61.641 5.994 1.00 53.21 A +ATOM 1889 CB SER A 252 11.706 59.467 7.370 1.00 47.45 A +ATOM 1890 OG SER A 252 11.693 58.588 6.255 1.00 42.70 A +ATOM 1891 N SER A 253 8.517 60.679 6.181 1.00 54.42 A +ATOM 1892 CA SER A 253 7.914 61.437 5.087 1.00 57.93 A +ATOM 1893 C SER A 253 8.150 62.946 5.154 1.00 61.49 A +ATOM 1894 O SER A 253 8.350 63.588 4.124 1.00 62.95 A +ATOM 1895 CB SER A 253 6.407 61.167 5.027 1.00 58.16 A +ATOM 1896 OG SER A 253 5.755 61.622 6.199 1.00 64.17 A +ATOM 1897 N THR A 254 8.134 63.508 6.358 1.00 63.18 A +ATOM 1898 CA THR A 254 8.335 64.945 6.526 1.00 66.06 A +ATOM 1899 C THR A 254 9.705 65.436 6.062 1.00 68.86 A +ATOM 1900 O THR A 254 10.117 66.553 6.382 1.00 68.78 A +ATOM 1901 CB THR A 254 8.137 65.362 7.994 1.00 64.35 A +ATOM 1902 OG1 THR A 254 9.039 64.623 8.826 1.00 65.44 A +ATOM 1903 CG2 THR A 254 6.706 65.093 8.432 1.00 64.02 A +ATOM 1904 N GLU A 255 10.411 64.598 5.311 1.00 70.13 A +ATOM 1905 CA GLU A 255 11.725 64.955 4.790 1.00 71.60 A +ATOM 1906 C GLU A 255 11.811 64.538 3.330 1.00 73.06 A +ATOM 1907 O GLU A 255 11.022 63.716 2.863 1.00 72.60 A +ATOM 1908 CB GLU A 255 12.830 64.258 5.587 1.00 72.33 A +ATOM 1909 CG GLU A 255 13.043 64.793 6.995 1.00 71.39 A +ATOM 1910 CD GLU A 255 13.716 66.151 7.017 1.00 72.12 A +ATOM 1911 OE1 GLU A 255 14.769 66.304 6.360 1.00 72.48 A +ATOM 1912 OE2 GLU A 255 13.200 67.062 7.698 1.00 71.44 A +ATOM 1913 N LYS A 256 12.771 65.110 2.610 1.00 74.96 A +ATOM 1914 CA LYS A 256 12.950 64.790 1.201 1.00 76.25 A +ATOM 1915 C LYS A 256 14.193 63.943 0.983 1.00 74.90 A +ATOM 1916 O LYS A 256 15.255 64.224 1.536 1.00 72.56 A +ATOM 1917 CB LYS A 256 13.052 66.075 0.376 1.00 79.62 A +ATOM 1918 CG LYS A 256 11.814 66.956 0.452 1.00 83.88 A +ATOM 1919 CD LYS A 256 11.918 68.151 -0.485 1.00 87.44 A +ATOM 1920 CE LYS A 256 12.016 67.711 -1.940 1.00 89.19 A +ATOM 1921 NZ LYS A 256 12.089 68.871 -2.877 1.00 90.34 A +ATOM 1922 N PHE A 257 14.051 62.897 0.176 1.00 75.18 A +ATOM 1923 CA PHE A 257 15.167 62.012 -0.119 1.00 77.01 A +ATOM 1924 C PHE A 257 15.264 61.772 -1.624 1.00 78.79 A +ATOM 1925 O PHE A 257 14.254 61.585 -2.301 1.00 81.04 A +ATOM 1926 CB PHE A 257 15.001 60.679 0.617 1.00 72.92 A +ATOM 1927 CG PHE A 257 14.844 60.821 2.106 1.00 69.07 A +ATOM 1928 CD1 PHE A 257 13.629 61.187 2.658 1.00 67.74 A +ATOM 1929 CD2 PHE A 257 15.916 60.601 2.953 1.00 69.10 A +ATOM 1930 CE1 PHE A 257 13.486 61.332 4.026 1.00 67.17 A +ATOM 1931 CE2 PHE A 257 15.781 60.745 4.323 1.00 67.73 A +ATOM 1932 CZ PHE A 257 14.564 61.111 4.860 1.00 65.74 A +ATOM 1933 N PRO A 258 16.492 61.783 -2.164 1.00 80.24 A +ATOM 1934 CA PRO A 258 16.781 61.573 -3.587 1.00 81.50 A +ATOM 1935 C PRO A 258 16.209 60.277 -4.171 1.00 83.18 A +ATOM 1936 O PRO A 258 16.364 60.013 -5.364 1.00 84.66 A +ATOM 1937 CB PRO A 258 18.305 61.594 -3.630 1.00 81.37 A +ATOM 1938 CG PRO A 258 18.652 62.551 -2.530 1.00 79.92 A +ATOM 1939 CD PRO A 258 17.722 62.118 -1.424 1.00 79.95 A +ATOM 1940 N ASP A 259 15.550 59.485 -3.327 1.00 83.47 A +ATOM 1941 CA ASP A 259 14.961 58.201 -3.724 1.00 83.48 A +ATOM 1942 C ASP A 259 16.022 57.170 -4.099 1.00 82.07 A +ATOM 1943 O ASP A 259 15.843 55.971 -3.867 1.00 80.77 A +ATOM 1944 CB ASP A 259 13.984 58.369 -4.887 1.00 86.25 A +ATOM 1945 CG ASP A 259 13.463 57.036 -5.396 1.00 88.09 A +ATOM 1946 OD1 ASP A 259 13.061 56.198 -4.559 1.00 86.98 A +ATOM 1947 OD2 ASP A 259 13.455 56.827 -6.628 1.00 87.70 A +ATOM 1948 N GLY A 260 17.110 57.636 -4.705 1.00 79.46 A +ATOM 1949 CA GLY A 260 18.192 56.736 -5.052 1.00 74.06 A +ATOM 1950 C GLY A 260 18.826 56.429 -3.713 1.00 70.32 A +ATOM 1951 O GLY A 260 19.609 55.493 -3.554 1.00 69.35 A +ATOM 1952 N PHE A 261 18.462 57.256 -2.738 1.00 67.23 A +ATOM 1953 CA PHE A 261 18.937 57.126 -1.371 1.00 63.75 A +ATOM 1954 C PHE A 261 18.462 55.795 -0.797 1.00 61.53 A +ATOM 1955 O PHE A 261 19.238 55.054 -0.195 1.00 61.44 A +ATOM 1956 CB PHE A 261 18.389 58.274 -0.520 1.00 60.75 A +ATOM 1957 CG PHE A 261 18.555 58.068 0.957 1.00 59.93 A +ATOM 1958 CD1 PHE A 261 19.799 58.162 1.549 1.00 58.54 A +ATOM 1959 CD2 PHE A 261 17.462 57.763 1.752 1.00 61.49 A +ATOM 1960 CE1 PHE A 261 19.952 57.956 2.903 1.00 61.63 A +ATOM 1961 CE2 PHE A 261 17.608 57.556 3.107 1.00 60.16 A +ATOM 1962 CZ PHE A 261 18.855 57.652 3.683 1.00 61.80 A +ATOM 1963 N TRP A 262 17.183 55.493 -1.002 1.00 58.98 A +ATOM 1964 CA TRP A 262 16.602 54.260 -0.489 1.00 56.76 A +ATOM 1965 C TRP A 262 17.179 53.014 -1.140 1.00 55.10 A +ATOM 1966 O TRP A 262 16.958 51.901 -0.667 1.00 50.43 A +ATOM 1967 CB TRP A 262 15.083 54.285 -0.646 1.00 55.58 A +ATOM 1968 CG TRP A 262 14.446 55.413 0.106 1.00 58.01 A +ATOM 1969 CD1 TRP A 262 13.902 56.547 -0.423 1.00 57.70 A +ATOM 1970 CD2 TRP A 262 14.321 55.533 1.528 1.00 57.48 A +ATOM 1971 NE1 TRP A 262 13.447 57.366 0.582 1.00 58.48 A +ATOM 1972 CE2 TRP A 262 13.692 56.767 1.789 1.00 57.88 A +ATOM 1973 CE3 TRP A 262 14.680 54.719 2.607 1.00 56.42 A +ATOM 1974 CZ2 TRP A 262 13.416 57.206 3.081 1.00 56.10 A +ATOM 1975 CZ3 TRP A 262 14.406 55.157 3.890 1.00 54.26 A +ATOM 1976 CH2 TRP A 262 13.779 56.389 4.116 1.00 56.13 A +ATOM 1977 N LEU A 263 17.914 53.197 -2.231 1.00 56.22 A +ATOM 1978 CA LEU A 263 18.538 52.066 -2.905 1.00 57.19 A +ATOM 1979 C LEU A 263 20.015 52.046 -2.544 1.00 56.38 A +ATOM 1980 O LEU A 263 20.752 51.159 -2.959 1.00 57.65 A +ATOM 1981 CB LEU A 263 18.376 52.172 -4.423 1.00 59.70 A +ATOM 1982 CG LEU A 263 16.995 51.832 -4.990 1.00 63.53 A +ATOM 1983 CD1 LEU A 263 15.958 52.812 -4.457 1.00 66.30 A +ATOM 1984 CD2 LEU A 263 17.045 51.884 -6.508 1.00 65.26 A +ATOM 1985 N GLY A 264 20.433 53.030 -1.755 1.00 58.52 A +ATOM 1986 CA GLY A 264 21.824 53.117 -1.350 1.00 63.24 A +ATOM 1987 C GLY A 264 22.706 53.699 -2.441 1.00 65.80 A +ATOM 1988 O GLY A 264 23.932 53.674 -2.336 1.00 65.69 A +ATOM 1989 N GLU A 265 22.078 54.232 -3.484 1.00 68.55 A +ATOM 1990 CA GLU A 265 22.797 54.816 -4.612 1.00 70.94 A +ATOM 1991 C GLU A 265 23.102 56.300 -4.425 1.00 71.53 A +ATOM 1992 O GLU A 265 23.826 56.893 -5.224 1.00 72.28 A +ATOM 1993 CB GLU A 265 21.988 54.635 -5.896 1.00 73.41 A +ATOM 1994 CG GLU A 265 21.654 53.192 -6.234 1.00 76.19 A +ATOM 1995 CD GLU A 265 20.742 53.082 -7.442 1.00 78.49 A +ATOM 1996 OE1 GLU A 265 20.373 51.946 -7.809 1.00 79.34 A +ATOM 1997 OE2 GLU A 265 20.393 54.133 -8.022 1.00 78.70 A +ATOM 1998 N GLN A 266 22.546 56.899 -3.377 1.00 71.65 A +ATOM 1999 CA GLN A 266 22.770 58.315 -3.107 1.00 71.52 A +ATOM 2000 C GLN A 266 22.688 58.603 -1.612 1.00 70.29 A +ATOM 2001 O GLN A 266 21.879 58.007 -0.903 1.00 70.12 A +ATOM 2002 CB GLN A 266 21.734 59.159 -3.854 1.00 74.14 A +ATOM 2003 CG GLN A 266 21.835 60.652 -3.590 1.00 78.56 A +ATOM 2004 CD GLN A 266 23.157 61.239 -4.042 1.00 81.11 A +ATOM 2005 OE1 GLN A 266 24.224 60.826 -3.583 1.00 82.04 A +ATOM 2006 NE2 GLN A 266 23.095 62.213 -4.944 1.00 80.95 A +ATOM 2007 N LEU A 267 23.523 59.517 -1.131 1.00 68.20 A +ATOM 2008 CA LEU A 267 23.514 59.855 0.284 1.00 69.27 A +ATOM 2009 C LEU A 267 22.739 61.136 0.575 1.00 67.60 A +ATOM 2010 O LEU A 267 22.637 62.021 -0.272 1.00 67.38 A +ATOM 2011 CB LEU A 267 24.952 59.967 0.814 1.00 70.89 A +ATOM 2012 CG LEU A 267 25.942 60.975 0.224 1.00 72.10 A +ATOM 2013 CD1 LEU A 267 25.526 62.389 0.572 1.00 74.54 A +ATOM 2014 CD2 LEU A 267 27.326 60.697 0.786 1.00 72.63 A +ATOM 2015 N VAL A 268 22.179 61.214 1.779 1.00 66.32 A +ATOM 2016 CA VAL A 268 21.417 62.383 2.205 1.00 63.86 A +ATOM 2017 C VAL A 268 22.243 63.159 3.221 1.00 62.06 A +ATOM 2018 O VAL A 268 23.002 62.566 3.985 1.00 60.33 A +ATOM 2019 CB VAL A 268 20.080 61.980 2.865 1.00 64.21 A +ATOM 2020 CG1 VAL A 268 19.390 63.206 3.439 1.00 62.40 A +ATOM 2021 CG2 VAL A 268 19.180 61.311 1.843 1.00 66.21 A +ATOM 2022 N CYS A 269 22.098 64.481 3.221 1.00 61.50 A +ATOM 2023 CA CYS A 269 22.837 65.328 4.151 1.00 62.59 A +ATOM 2024 C CYS A 269 21.906 66.281 4.899 1.00 61.79 A +ATOM 2025 O CYS A 269 20.765 66.510 4.489 1.00 60.03 A +ATOM 2026 CB CYS A 269 23.878 66.163 3.408 1.00 65.65 A +ATOM 2027 SG CYS A 269 24.993 65.290 2.261 1.00 70.69 A +ATOM 2028 N TRP A 270 22.418 66.836 5.993 1.00 60.12 A +ATOM 2029 CA TRP A 270 21.688 67.787 6.830 1.00 62.01 A +ATOM 2030 C TRP A 270 22.726 68.687 7.487 1.00 63.13 A +ATOM 2031 O TRP A 270 23.870 68.273 7.672 1.00 62.86 A +ATOM 2032 CB TRP A 270 20.894 67.056 7.921 1.00 59.91 A +ATOM 2033 CG TRP A 270 19.608 66.442 7.453 1.00 59.67 A +ATOM 2034 CD1 TRP A 270 18.475 67.101 7.071 1.00 59.31 A +ATOM 2035 CD2 TRP A 270 19.326 65.044 7.310 1.00 59.14 A +ATOM 2036 NE1 TRP A 270 17.507 66.200 6.698 1.00 61.08 A +ATOM 2037 CE2 TRP A 270 18.005 64.931 6.836 1.00 59.51 A +ATOM 2038 CE3 TRP A 270 20.064 63.877 7.539 1.00 57.27 A +ATOM 2039 CZ2 TRP A 270 17.403 63.697 6.585 1.00 60.59 A +ATOM 2040 CZ3 TRP A 270 19.467 62.655 7.288 1.00 56.41 A +ATOM 2041 CH2 TRP A 270 18.149 62.574 6.816 1.00 59.13 A +ATOM 2042 N GLN A 271 22.342 69.911 7.838 1.00 65.26 A +ATOM 2043 CA GLN A 271 23.285 70.817 8.482 1.00 67.90 A +ATOM 2044 C GLN A 271 23.877 70.128 9.704 1.00 68.17 A +ATOM 2045 O GLN A 271 23.171 69.436 10.435 1.00 69.92 A +ATOM 2046 CB GLN A 271 22.596 72.113 8.915 1.00 71.77 A +ATOM 2047 CG GLN A 271 22.061 72.966 7.776 1.00 75.41 A +ATOM 2048 CD GLN A 271 21.742 74.385 8.220 1.00 77.97 A +ATOM 2049 OE1 GLN A 271 20.989 74.598 9.173 1.00 78.87 A +ATOM 2050 NE2 GLN A 271 22.316 75.363 7.530 1.00 77.83 A +ATOM 2051 N ALA A 272 25.172 70.321 9.926 1.00 67.39 A +ATOM 2052 CA ALA A 272 25.853 69.704 11.058 1.00 67.86 A +ATOM 2053 C ALA A 272 25.032 69.775 12.342 1.00 67.62 A +ATOM 2054 O ALA A 272 24.487 70.824 12.690 1.00 67.58 A +ATOM 2055 CB ALA A 272 27.212 70.360 11.272 1.00 67.23 A +ATOM 2056 N GLY A 273 24.942 68.642 13.033 1.00 67.63 A +ATOM 2057 CA GLY A 273 24.210 68.570 14.285 1.00 64.82 A +ATOM 2058 C GLY A 273 22.709 68.771 14.201 1.00 63.65 A +ATOM 2059 O GLY A 273 22.070 69.047 15.214 1.00 65.45 A +ATOM 2060 N THR A 274 22.134 68.627 13.012 1.00 61.38 A +ATOM 2061 CA THR A 274 20.697 68.816 12.861 1.00 59.36 A +ATOM 2062 C THR A 274 19.979 67.587 12.315 1.00 56.65 A +ATOM 2063 O THR A 274 18.804 67.660 11.957 1.00 55.49 A +ATOM 2064 CB THR A 274 20.384 70.007 11.937 1.00 60.94 A +ATOM 2065 OG1 THR A 274 20.741 69.679 10.590 1.00 62.09 A +ATOM 2066 CG2 THR A 274 21.166 71.236 12.376 1.00 61.69 A +ATOM 2067 N THR A 275 20.681 66.460 12.244 1.00 54.51 A +ATOM 2068 CA THR A 275 20.073 65.234 11.742 1.00 51.92 A +ATOM 2069 C THR A 275 18.819 64.947 12.561 1.00 49.91 A +ATOM 2070 O THR A 275 18.863 64.916 13.789 1.00 49.95 A +ATOM 2071 CB THR A 275 21.034 64.036 11.867 1.00 52.98 A +ATOM 2072 OG1 THR A 275 22.284 64.357 11.244 1.00 51.98 A +ATOM 2073 CG2 THR A 275 20.438 62.800 11.190 1.00 50.13 A +ATOM 2074 N PRO A 276 17.679 64.751 11.885 1.00 46.76 A +ATOM 2075 CA PRO A 276 16.396 64.469 12.527 1.00 47.11 A +ATOM 2076 C PRO A 276 16.248 62.979 12.836 1.00 43.11 A +ATOM 2077 O PRO A 276 15.426 62.294 12.234 1.00 44.34 A +ATOM 2078 CB PRO A 276 15.400 64.941 11.483 1.00 45.24 A +ATOM 2079 CG PRO A 276 16.062 64.469 10.215 1.00 47.13 A +ATOM 2080 CD PRO A 276 17.523 64.845 10.423 1.00 47.91 A +ATOM 2081 N TRP A 277 17.055 62.479 13.765 1.00 43.62 A +ATOM 2082 CA TRP A 277 17.007 61.068 14.133 1.00 43.27 A +ATOM 2083 C TRP A 277 15.617 60.627 14.570 1.00 43.15 A +ATOM 2084 O TRP A 277 15.168 59.532 14.227 1.00 42.23 A +ATOM 2085 CB TRP A 277 17.999 60.783 15.257 1.00 44.42 A +ATOM 2086 CG TRP A 277 19.419 60.982 14.857 1.00 50.83 A +ATOM 2087 CD1 TRP A 277 20.272 61.949 15.305 1.00 50.83 A +ATOM 2088 CD2 TRP A 277 20.165 60.184 13.932 1.00 49.27 A +ATOM 2089 NE1 TRP A 277 21.505 61.799 14.719 1.00 50.79 A +ATOM 2090 CE2 TRP A 277 21.466 60.722 13.871 1.00 50.05 A +ATOM 2091 CE3 TRP A 277 19.860 59.064 13.152 1.00 51.28 A +ATOM 2092 CZ2 TRP A 277 22.462 60.179 13.058 1.00 50.50 A +ATOM 2093 CZ3 TRP A 277 20.851 58.525 12.345 1.00 51.24 A +ATOM 2094 CH2 TRP A 277 22.135 59.085 12.305 1.00 50.92 A +ATOM 2095 N ASN A 278 14.939 61.489 15.319 1.00 43.17 A +ATOM 2096 CA ASN A 278 13.601 61.195 15.827 1.00 46.18 A +ATOM 2097 C ASN A 278 12.596 60.747 14.768 1.00 45.60 A +ATOM 2098 O ASN A 278 11.631 60.050 15.085 1.00 45.37 A +ATOM 2099 CB ASN A 278 13.039 62.415 16.564 1.00 48.58 A +ATOM 2100 CG ASN A 278 12.738 63.573 15.629 1.00 52.76 A +ATOM 2101 OD1 ASN A 278 11.578 63.951 15.439 1.00 52.51 A +ATOM 2102 ND2 ASN A 278 13.785 64.140 15.034 1.00 49.39 A +ATOM 2103 N ILE A 279 12.806 61.131 13.513 1.00 44.91 A +ATOM 2104 CA ILE A 279 11.862 60.741 12.473 1.00 43.58 A +ATOM 2105 C ILE A 279 12.139 59.367 11.870 1.00 40.91 A +ATOM 2106 O ILE A 279 11.328 58.850 11.099 1.00 40.29 A +ATOM 2107 CB ILE A 279 11.820 61.773 11.328 1.00 50.47 A +ATOM 2108 CG1 ILE A 279 13.097 61.681 10.495 1.00 52.99 A +ATOM 2109 CG2 ILE A 279 11.657 63.174 11.901 1.00 52.15 A +ATOM 2110 CD1 ILE A 279 13.098 62.597 9.301 1.00 54.90 A +ATOM 2111 N PHE A 280 13.284 58.779 12.203 1.00 37.90 A +ATOM 2112 CA PHE A 280 13.619 57.451 11.695 1.00 38.67 A +ATOM 2113 C PHE A 280 13.302 56.433 12.794 1.00 38.50 A +ATOM 2114 O PHE A 280 13.686 56.604 13.949 1.00 36.66 A +ATOM 2115 CB PHE A 280 15.094 57.399 11.291 1.00 37.42 A +ATOM 2116 CG PHE A 280 15.407 58.222 10.066 1.00 43.23 A +ATOM 2117 CD1 PHE A 280 14.968 57.819 8.814 1.00 42.40 A +ATOM 2118 CD2 PHE A 280 16.107 59.414 10.170 1.00 43.46 A +ATOM 2119 CE1 PHE A 280 15.219 58.590 7.687 1.00 45.74 A +ATOM 2120 CE2 PHE A 280 16.360 60.189 9.048 1.00 43.10 A +ATOM 2121 CZ PHE A 280 15.916 59.777 7.807 1.00 41.80 A +ATOM 2122 N PRO A 281 12.582 55.364 12.442 1.00 37.47 A +ATOM 2123 CA PRO A 281 12.191 54.318 13.390 1.00 35.67 A +ATOM 2124 C PRO A 281 13.254 53.338 13.854 1.00 37.09 A +ATOM 2125 O PRO A 281 14.281 53.136 13.201 1.00 36.15 A +ATOM 2126 CB PRO A 281 11.059 53.608 12.656 1.00 36.29 A +ATOM 2127 CG PRO A 281 11.506 53.677 11.236 1.00 39.44 A +ATOM 2128 CD PRO A 281 12.006 55.108 11.110 1.00 35.76 A +ATOM 2129 N VAL A 282 12.999 52.738 15.011 1.00 35.93 A +ATOM 2130 CA VAL A 282 13.893 51.723 15.542 1.00 36.24 A +ATOM 2131 C VAL A 282 13.345 50.427 14.943 1.00 35.13 A +ATOM 2132 O VAL A 282 12.152 50.331 14.663 1.00 35.09 A +ATOM 2133 CB VAL A 282 13.824 51.637 17.081 1.00 36.72 A +ATOM 2134 CG1 VAL A 282 14.262 52.956 17.694 1.00 36.06 A +ATOM 2135 CG2 VAL A 282 12.410 51.292 17.523 1.00 38.19 A +ATOM 2136 N ILE A 283 14.215 49.448 14.722 1.00 35.23 A +ATOM 2137 CA ILE A 283 13.790 48.172 14.163 1.00 31.17 A +ATOM 2138 C ILE A 283 14.054 47.068 15.174 1.00 34.14 A +ATOM 2139 O ILE A 283 15.157 46.952 15.707 1.00 34.00 A +ATOM 2140 CB ILE A 283 14.558 47.840 12.868 1.00 35.87 A +ATOM 2141 CG1 ILE A 283 14.272 48.900 11.803 1.00 36.94 A +ATOM 2142 CG2 ILE A 283 14.152 46.467 12.361 1.00 28.88 A +ATOM 2143 CD1 ILE A 283 15.092 48.722 10.549 1.00 42.22 A +ATOM 2144 N SER A 284 13.037 46.268 15.450 1.00 30.28 A +ATOM 2145 CA SER A 284 13.189 45.177 16.394 1.00 33.90 A +ATOM 2146 C SER A 284 13.121 43.841 15.676 1.00 33.36 A +ATOM 2147 O SER A 284 12.149 43.547 14.976 1.00 32.17 A +ATOM 2148 CB SER A 284 12.100 45.236 17.467 1.00 33.52 A +ATOM 2149 OG SER A 284 12.289 46.347 18.319 1.00 39.86 A +ATOM 2150 N LEU A 285 14.173 43.049 15.842 1.00 34.47 A +ATOM 2151 CA LEU A 285 14.258 41.727 15.247 1.00 33.14 A +ATOM 2152 C LEU A 285 14.129 40.718 16.379 1.00 33.02 A +ATOM 2153 O LEU A 285 14.940 40.718 17.307 1.00 32.97 A +ATOM 2154 CB LEU A 285 15.610 41.530 14.555 1.00 34.35 A +ATOM 2155 CG LEU A 285 15.980 42.480 13.410 1.00 37.82 A +ATOM 2156 CD1 LEU A 285 17.340 42.085 12.851 1.00 36.45 A +ATOM 2157 CD2 LEU A 285 14.932 42.402 12.315 1.00 33.37 A +ATOM 2158 N TYR A 286 13.116 39.861 16.307 1.00 27.95 A +ATOM 2159 CA TYR A 286 12.926 38.847 17.341 1.00 29.51 A +ATOM 2160 C TYR A 286 13.576 37.551 16.896 1.00 31.08 A +ATOM 2161 O TYR A 286 13.294 37.049 15.802 1.00 31.72 A +ATOM 2162 CB TYR A 286 11.438 38.610 17.610 1.00 28.99 A +ATOM 2163 CG TYR A 286 10.736 39.758 18.310 1.00 29.86 A +ATOM 2164 CD1 TYR A 286 10.563 40.983 17.676 1.00 30.67 A +ATOM 2165 CD2 TYR A 286 10.232 39.610 19.603 1.00 32.15 A +ATOM 2166 CE1 TYR A 286 9.905 42.032 18.306 1.00 31.85 A +ATOM 2167 CE2 TYR A 286 9.573 40.656 20.240 1.00 32.66 A +ATOM 2168 CZ TYR A 286 9.414 41.866 19.580 1.00 35.75 A +ATOM 2169 OH TYR A 286 8.768 42.918 20.194 1.00 36.05 A +ATOM 2170 N LEU A 287 14.448 37.005 17.740 1.00 27.05 A +ATOM 2171 CA LEU A 287 15.134 35.765 17.399 1.00 29.73 A +ATOM 2172 C LEU A 287 14.644 34.602 18.252 1.00 31.64 A +ATOM 2173 O LEU A 287 14.275 34.786 19.413 1.00 27.96 A +ATOM 2174 CB LEU A 287 16.648 35.939 17.583 1.00 25.81 A +ATOM 2175 CG LEU A 287 17.316 37.034 16.748 1.00 31.56 A +ATOM 2176 CD1 LEU A 287 18.730 37.263 17.258 1.00 35.08 A +ATOM 2177 CD2 LEU A 287 17.338 36.635 15.282 1.00 36.57 A +ATOM 2178 N MET A 288 14.637 33.404 17.665 1.00 29.44 A +ATOM 2179 CA MET A 288 14.216 32.196 18.376 1.00 29.69 A +ATOM 2180 C MET A 288 15.086 32.065 19.619 1.00 30.20 A +ATOM 2181 O MET A 288 16.296 32.290 19.555 1.00 29.91 A +ATOM 2182 CB MET A 288 14.411 30.962 17.486 1.00 32.10 A +ATOM 2183 CG MET A 288 14.233 29.631 18.203 1.00 33.09 A +ATOM 2184 SD MET A 288 14.484 28.239 17.063 1.00 38.71 A +ATOM 2185 CE MET A 288 12.905 28.223 16.213 1.00 37.79 A +ATOM 2186 N GLY A 289 14.473 31.694 20.737 1.00 28.66 A +ATOM 2187 CA GLY A 289 15.209 31.562 21.983 1.00 28.41 A +ATOM 2188 C GLY A 289 15.693 30.159 22.287 1.00 30.17 A +ATOM 2189 O GLY A 289 15.710 29.295 21.410 1.00 27.44 A +ATOM 2190 N GLU A 290 16.092 29.933 23.534 1.00 29.87 A +ATOM 2191 CA GLU A 290 16.601 28.626 23.950 1.00 31.75 A +ATOM 2192 C GLU A 290 15.541 27.674 24.496 1.00 30.73 A +ATOM 2193 O GLU A 290 15.775 26.467 24.570 1.00 30.62 A +ATOM 2194 CB GLU A 290 17.695 28.797 25.008 1.00 33.20 A +ATOM 2195 CG GLU A 290 18.940 29.528 24.527 1.00 34.88 A +ATOM 2196 CD GLU A 290 20.012 29.619 25.606 1.00 34.26 A +ATOM 2197 OE1 GLU A 290 19.888 30.468 26.513 1.00 35.45 A +ATOM 2198 OE2 GLU A 290 20.976 28.830 25.553 1.00 31.96 A +ATOM 2199 N VAL A 291 14.392 28.196 24.910 1.00 30.13 A +ATOM 2200 CA VAL A 291 13.357 27.318 25.439 1.00 31.82 A +ATOM 2201 C VAL A 291 12.099 27.356 24.579 1.00 30.93 A +ATOM 2202 O VAL A 291 11.927 28.246 23.740 1.00 30.83 A +ATOM 2203 CB VAL A 291 12.991 27.662 26.919 1.00 32.20 A +ATOM 2204 CG1 VAL A 291 14.241 27.592 27.797 1.00 33.68 A +ATOM 2205 CG2 VAL A 291 12.361 29.026 27.009 1.00 32.96 A +ATOM 2206 N THR A 292 11.232 26.374 24.793 1.00 32.27 A +ATOM 2207 CA THR A 292 9.988 26.248 24.045 1.00 30.31 A +ATOM 2208 C THR A 292 9.166 27.529 24.023 1.00 30.36 A +ATOM 2209 O THR A 292 8.963 28.168 25.054 1.00 27.84 A +ATOM 2210 CB THR A 292 9.111 25.116 24.627 1.00 31.57 A +ATOM 2211 OG1 THR A 292 9.835 23.886 24.579 1.00 31.14 A +ATOM 2212 CG2 THR A 292 7.820 24.969 23.828 1.00 33.50 A +ATOM 2213 N ASN A 293 8.693 27.888 22.832 1.00 27.90 A +ATOM 2214 CA ASN A 293 7.873 29.078 22.622 1.00 29.84 A +ATOM 2215 C ASN A 293 8.449 30.361 23.218 1.00 30.68 A +ATOM 2216 O ASN A 293 7.704 31.275 23.571 1.00 30.57 A +ATOM 2217 CB ASN A 293 6.462 28.858 23.178 1.00 31.30 A +ATOM 2218 CG ASN A 293 5.743 27.707 22.502 1.00 37.73 A +ATOM 2219 OD1 ASN A 293 6.036 27.364 21.353 1.00 34.63 A +ATOM 2220 ND2 ASN A 293 4.788 27.111 23.205 1.00 34.68 A +ATOM 2221 N GLN A 294 9.772 30.433 23.314 1.00 28.89 A +ATOM 2222 CA GLN A 294 10.429 31.612 23.876 1.00 29.82 A +ATOM 2223 C GLN A 294 11.386 32.251 22.894 1.00 27.60 A +ATOM 2224 O GLN A 294 12.155 31.567 22.218 1.00 29.93 A +ATOM 2225 CB GLN A 294 11.180 31.229 25.156 1.00 31.90 A +ATOM 2226 CG GLN A 294 12.078 32.321 25.755 1.00 30.79 A +ATOM 2227 CD GLN A 294 13.513 32.256 25.242 1.00 32.82 A +ATOM 2228 OE1 GLN A 294 14.105 31.180 25.170 1.00 28.08 A +ATOM 2229 NE2 GLN A 294 14.084 33.413 24.903 1.00 30.01 A +ATOM 2230 N SER A 295 11.334 33.573 22.821 1.00 30.86 A +ATOM 2231 CA SER A 295 12.203 34.327 21.938 1.00 30.40 A +ATOM 2232 C SER A 295 12.673 35.573 22.670 1.00 29.92 A +ATOM 2233 O SER A 295 12.350 35.779 23.844 1.00 28.05 A +ATOM 2234 CB SER A 295 11.444 34.724 20.665 1.00 32.33 A +ATOM 2235 OG SER A 295 10.339 35.569 20.961 1.00 35.29 A +ATOM 2236 N PHE A 296 13.451 36.400 21.989 1.00 28.00 A +ATOM 2237 CA PHE A 296 13.917 37.644 22.592 1.00 28.44 A +ATOM 2238 C PHE A 296 14.132 38.604 21.443 1.00 32.33 A +ATOM 2239 O PHE A 296 14.152 38.190 20.281 1.00 31.04 A +ATOM 2240 CB PHE A 296 15.218 37.424 23.373 1.00 27.41 A +ATOM 2241 CG PHE A 296 16.404 37.103 22.513 1.00 30.52 A +ATOM 2242 CD1 PHE A 296 17.202 38.115 22.001 1.00 29.55 A +ATOM 2243 CD2 PHE A 296 16.730 35.782 22.222 1.00 29.81 A +ATOM 2244 CE1 PHE A 296 18.307 37.819 21.214 1.00 28.78 A +ATOM 2245 CE2 PHE A 296 17.835 35.479 21.436 1.00 28.01 A +ATOM 2246 CZ PHE A 296 18.623 36.493 20.932 1.00 28.10 A +ATOM 2247 N ARG A 297 14.284 39.883 21.745 1.00 29.87 A +ATOM 2248 CA ARG A 297 14.474 40.835 20.668 1.00 33.93 A +ATOM 2249 C ARG A 297 15.683 41.722 20.840 1.00 32.94 A +ATOM 2250 O ARG A 297 16.154 41.966 21.957 1.00 31.30 A +ATOM 2251 CB ARG A 297 13.237 41.727 20.522 1.00 37.02 A +ATOM 2252 CG ARG A 297 13.178 42.864 21.522 1.00 40.06 A +ATOM 2253 CD ARG A 297 11.831 43.583 21.482 1.00 44.25 A +ATOM 2254 NE ARG A 297 11.805 44.733 22.384 1.00 45.40 A +ATOM 2255 CZ ARG A 297 10.696 45.364 22.763 1.00 48.34 A +ATOM 2256 NH1 ARG A 297 9.508 44.961 22.323 1.00 42.93 A +ATOM 2257 NH2 ARG A 297 10.775 46.403 23.582 1.00 43.44 A +ATOM 2258 N ILE A 298 16.186 42.190 19.707 1.00 33.40 A +ATOM 2259 CA ILE A 298 17.298 43.115 19.684 1.00 32.37 A +ATOM 2260 C ILE A 298 16.743 44.277 18.880 1.00 35.41 A +ATOM 2261 O ILE A 298 16.108 44.082 17.829 1.00 32.47 A +ATOM 2262 CB ILE A 298 18.551 42.533 18.990 1.00 35.80 A +ATOM 2263 CG1 ILE A 298 18.261 42.224 17.525 1.00 36.25 A +ATOM 2264 CG2 ILE A 298 19.008 41.275 19.711 1.00 33.16 A +ATOM 2265 CD1 ILE A 298 19.469 41.645 16.805 1.00 37.90 A +ATOM 2266 N THR A 299 16.942 45.486 19.389 1.00 32.15 A +ATOM 2267 CA THR A 299 16.429 46.662 18.714 1.00 35.72 A +ATOM 2268 C THR A 299 17.549 47.493 18.113 1.00 36.80 A +ATOM 2269 O THR A 299 18.578 47.727 18.746 1.00 36.03 A +ATOM 2270 CB THR A 299 15.592 47.518 19.676 1.00 39.82 A +ATOM 2271 OG1 THR A 299 14.500 46.731 20.173 1.00 42.37 A +ATOM 2272 CG2 THR A 299 15.033 48.740 18.957 1.00 43.53 A +ATOM 2273 N ILE A 300 17.320 47.935 16.882 1.00 35.82 A +ATOM 2274 CA ILE A 300 18.283 48.722 16.123 1.00 40.47 A +ATOM 2275 C ILE A 300 17.860 50.187 16.035 1.00 39.90 A +ATOM 2276 O ILE A 300 16.708 50.488 15.721 1.00 43.46 A +ATOM 2277 CB ILE A 300 18.398 48.160 14.685 1.00 40.29 A +ATOM 2278 CG1 ILE A 300 18.507 46.634 14.737 1.00 47.79 A +ATOM 2279 CG2 ILE A 300 19.606 48.740 13.984 1.00 40.74 A +ATOM 2280 CD1 ILE A 300 19.667 46.134 15.569 1.00 45.89 A +ATOM 2281 N LEU A 301 18.794 51.092 16.303 1.00 40.74 A +ATOM 2282 CA LEU A 301 18.519 52.526 16.227 1.00 42.11 A +ATOM 2283 C LEU A 301 18.861 53.031 14.826 1.00 40.46 A +ATOM 2284 O LEU A 301 19.728 52.475 14.153 1.00 39.51 A +ATOM 2285 CB LEU A 301 19.358 53.289 17.258 1.00 39.88 A +ATOM 2286 CG LEU A 301 19.087 53.008 18.737 1.00 43.62 A +ATOM 2287 CD1 LEU A 301 20.027 53.849 19.593 1.00 45.96 A +ATOM 2288 CD2 LEU A 301 17.637 53.328 19.066 1.00 42.38 A +ATOM 2289 N PRO A 302 18.190 54.098 14.372 1.00 42.04 A +ATOM 2290 CA PRO A 302 18.477 54.626 13.035 1.00 41.67 A +ATOM 2291 C PRO A 302 19.950 54.976 12.848 1.00 41.90 A +ATOM 2292 O PRO A 302 20.465 54.940 11.731 1.00 43.64 A +ATOM 2293 CB PRO A 302 17.565 55.846 12.938 1.00 40.26 A +ATOM 2294 CG PRO A 302 17.431 56.286 14.365 1.00 44.61 A +ATOM 2295 CD PRO A 302 17.252 54.975 15.094 1.00 41.96 A +ATOM 2296 N GLN A 303 20.628 55.310 13.941 1.00 40.40 A +ATOM 2297 CA GLN A 303 22.047 55.646 13.862 1.00 43.96 A +ATOM 2298 C GLN A 303 22.868 54.447 13.393 1.00 44.58 A +ATOM 2299 O GLN A 303 24.051 54.578 13.083 1.00 46.90 A +ATOM 2300 CB GLN A 303 22.571 56.127 15.221 1.00 45.92 A +ATOM 2301 CG GLN A 303 22.094 57.524 15.628 1.00 48.62 A +ATOM 2302 CD GLN A 303 20.784 57.510 16.400 1.00 49.10 A +ATOM 2303 OE1 GLN A 303 20.078 56.503 16.438 1.00 45.65 A +ATOM 2304 NE2 GLN A 303 20.452 58.641 17.016 1.00 47.06 A +ATOM 2305 N GLN A 304 22.240 53.277 13.350 1.00 41.73 A +ATOM 2306 CA GLN A 304 22.924 52.070 12.908 1.00 42.41 A +ATOM 2307 C GLN A 304 22.682 51.794 11.431 1.00 40.48 A +ATOM 2308 O GLN A 304 23.585 51.349 10.727 1.00 40.84 A +ATOM 2309 CB GLN A 304 22.472 50.863 13.738 1.00 43.37 A +ATOM 2310 CG GLN A 304 23.244 50.683 15.038 1.00 49.11 A +ATOM 2311 CD GLN A 304 22.542 49.762 16.018 1.00 53.47 A +ATOM 2312 OE1 GLN A 304 21.593 50.163 16.698 1.00 54.10 A +ATOM 2313 NE2 GLN A 304 23.000 48.516 16.091 1.00 55.88 A +ATOM 2314 N TYR A 305 21.474 52.051 10.947 1.00 37.68 A +ATOM 2315 CA TYR A 305 21.215 51.792 9.541 1.00 39.06 A +ATOM 2316 C TYR A 305 21.350 53.025 8.647 1.00 39.71 A +ATOM 2317 O TYR A 305 21.038 52.982 7.453 1.00 40.45 A +ATOM 2318 CB TYR A 305 19.861 51.103 9.358 1.00 36.59 A +ATOM 2319 CG TYR A 305 18.652 51.876 9.811 1.00 38.14 A +ATOM 2320 CD1 TYR A 305 18.146 52.919 9.047 1.00 36.05 A +ATOM 2321 CD2 TYR A 305 17.968 51.514 10.967 1.00 38.70 A +ATOM 2322 CE1 TYR A 305 16.987 53.575 9.415 1.00 40.83 A +ATOM 2323 CE2 TYR A 305 16.808 52.168 11.344 1.00 39.01 A +ATOM 2324 CZ TYR A 305 16.320 53.194 10.561 1.00 40.16 A +ATOM 2325 OH TYR A 305 15.145 53.819 10.901 1.00 42.32 A +ATOM 2326 N LEU A 306 21.817 54.119 9.240 1.00 39.16 A +ATOM 2327 CA LEU A 306 22.093 55.350 8.502 1.00 43.29 A +ATOM 2328 C LEU A 306 23.588 55.544 8.723 1.00 48.60 A +ATOM 2329 O LEU A 306 24.006 56.294 9.604 1.00 48.31 A +ATOM 2330 CB LEU A 306 21.321 56.545 9.065 1.00 44.02 A +ATOM 2331 CG LEU A 306 19.848 56.664 8.668 1.00 41.17 A +ATOM 2332 CD1 LEU A 306 19.290 57.971 9.196 1.00 47.17 A +ATOM 2333 CD2 LEU A 306 19.711 56.607 7.156 1.00 48.21 A +ATOM 2334 N ARG A 307 24.382 54.824 7.936 1.00 53.34 A +ATOM 2335 CA ARG A 307 25.836 54.867 8.040 1.00 55.83 A +ATOM 2336 C ARG A 307 26.401 56.215 7.601 1.00 57.94 A +ATOM 2337 O ARG A 307 26.118 56.699 6.505 1.00 58.01 A +ATOM 2338 CB ARG A 307 26.444 53.730 7.208 1.00 54.14 A +ATOM 2339 CG ARG A 307 27.951 53.570 7.358 1.00 60.65 A +ATOM 2340 CD ARG A 307 28.420 52.209 6.848 1.00 58.80 A +ATOM 2341 NE ARG A 307 28.162 52.023 5.422 1.00 61.40 A +ATOM 2342 CZ ARG A 307 28.852 52.611 4.450 1.00 61.91 A +ATOM 2343 NH1 ARG A 307 29.854 53.429 4.743 1.00 62.64 A +ATOM 2344 NH2 ARG A 307 28.540 52.380 3.183 1.00 62.48 A +ATOM 2345 N PRO A 308 27.206 56.843 8.469 1.00 59.04 A +ATOM 2346 CA PRO A 308 27.823 58.140 8.198 1.00 61.77 A +ATOM 2347 C PRO A 308 28.886 58.061 7.105 1.00 64.41 A +ATOM 2348 O PRO A 308 29.769 57.203 7.135 1.00 61.61 A +ATOM 2349 CB PRO A 308 28.402 58.527 9.556 1.00 61.03 A +ATOM 2350 CG PRO A 308 28.800 57.205 10.123 1.00 60.89 A +ATOM 2351 CD PRO A 308 27.611 56.334 9.791 1.00 60.28 A +ATOM 2352 N VAL A 309 28.783 58.963 6.136 1.00 69.09 A +ATOM 2353 CA VAL A 309 29.720 59.020 5.022 1.00 74.61 A +ATOM 2354 C VAL A 309 30.253 60.438 4.891 1.00 79.29 A +ATOM 2355 O VAL A 309 29.518 61.349 4.512 1.00 79.39 A +ATOM 2356 CB VAL A 309 29.030 58.629 3.700 1.00 74.03 A +ATOM 2357 CG1 VAL A 309 29.992 58.803 2.535 1.00 75.42 A +ATOM 2358 CG2 VAL A 309 28.542 57.191 3.780 1.00 73.01 A +ATOM 2359 N GLU A 310 31.529 60.625 5.210 1.00 85.92 A +ATOM 2360 CA GLU A 310 32.144 61.945 5.124 1.00 92.54 A +ATOM 2361 C GLU A 310 31.969 62.549 3.736 1.00 95.29 A +ATOM 2362 O GLU A 310 32.102 61.862 2.724 1.00 94.67 A +ATOM 2363 CB GLU A 310 33.634 61.861 5.468 1.00 94.65 A +ATOM 2364 CG GLU A 310 33.914 61.457 6.907 1.00 98.62 A +ATOM 2365 CD GLU A 310 35.394 61.462 7.239 1.00100.44 A +ATOM 2366 OE1 GLU A 310 36.149 60.699 6.601 1.00100.21 A +ATOM 2367 OE2 GLU A 310 35.800 62.229 8.138 1.00101.44 A +ATOM 2368 N ASP A 311 31.662 63.841 3.699 1.00 99.60 A +ATOM 2369 CA ASP A 311 31.466 64.544 2.440 1.00104.19 A +ATOM 2370 C ASP A 311 32.771 65.208 2.013 1.00106.43 A +ATOM 2371 O ASP A 311 33.102 66.304 2.473 1.00107.24 A +ATOM 2372 CB ASP A 311 30.368 65.599 2.594 1.00105.19 A +ATOM 2373 CG ASP A 311 29.946 66.199 1.269 1.00106.38 A +ATOM 2374 OD1 ASP A 311 30.810 66.773 0.573 1.00106.75 A +ATOM 2375 OD2 ASP A 311 28.749 66.095 0.924 1.00105.87 A +ATOM 2376 N VAL A 312 33.507 64.535 1.133 1.00108.57 A +ATOM 2377 CA VAL A 312 34.784 65.039 0.635 1.00109.88 A +ATOM 2378 C VAL A 312 34.693 66.493 0.176 1.00110.45 A +ATOM 2379 O VAL A 312 35.660 67.249 0.283 1.00110.21 A +ATOM 2380 CB VAL A 312 35.299 64.179 -0.541 1.00109.91 A +ATOM 2381 CG1 VAL A 312 35.538 62.751 -0.075 1.00109.47 A +ATOM 2382 CG2 VAL A 312 34.294 64.201 -1.682 1.00109.79 A +ATOM 2383 N ALA A 313 33.527 66.878 -0.335 1.00110.55 A +ATOM 2384 CA ALA A 313 33.311 68.240 -0.806 1.00110.34 A +ATOM 2385 C ALA A 313 33.193 69.194 0.377 1.00109.99 A +ATOM 2386 O ALA A 313 34.081 69.256 1.229 1.00109.52 A +ATOM 2387 CB ALA A 313 32.049 68.305 -1.661 1.00110.11 A +ATOM 2388 N THR A 314 32.092 69.937 0.425 1.00109.89 A +ATOM 2389 CA THR A 314 31.861 70.886 1.507 1.00110.13 A +ATOM 2390 C THR A 314 31.572 70.163 2.817 1.00109.60 A +ATOM 2391 O THR A 314 30.420 69.856 3.128 1.00109.50 A +ATOM 2392 CB THR A 314 30.678 71.826 1.188 1.00110.74 A +ATOM 2393 OG1 THR A 314 30.984 72.603 0.024 1.00110.50 A +ATOM 2394 CG2 THR A 314 30.408 72.762 2.359 1.00110.74 A +ATOM 2395 N SER A 315 32.626 69.887 3.578 1.00109.04 A +ATOM 2396 CA SER A 315 32.493 69.207 4.859 1.00108.00 A +ATOM 2397 C SER A 315 31.829 70.143 5.863 1.00106.08 A +ATOM 2398 O SER A 315 32.452 70.581 6.831 1.00105.80 A +ATOM 2399 CB SER A 315 33.870 68.780 5.376 1.00109.58 A +ATOM 2400 OG SER A 315 34.737 69.895 5.501 1.00111.00 A +ATOM 2401 N GLN A 316 30.560 70.449 5.618 1.00103.92 A +ATOM 2402 CA GLN A 316 29.803 71.338 6.487 1.00101.88 A +ATOM 2403 C GLN A 316 28.560 70.636 7.022 1.00 98.83 A +ATOM 2404 O GLN A 316 28.076 70.952 8.110 1.00 98.81 A +ATOM 2405 CB GLN A 316 29.394 72.595 5.710 1.00103.35 A +ATOM 2406 CG GLN A 316 28.582 73.602 6.513 1.00105.49 A +ATOM 2407 CD GLN A 316 29.353 74.182 7.683 1.00107.15 A +ATOM 2408 OE1 GLN A 316 30.412 74.787 7.506 1.00107.42 A +ATOM 2409 NE2 GLN A 316 28.825 74.002 8.889 1.00107.37 A +ATOM 2410 N ASP A 317 28.053 69.676 6.257 1.00 94.11 A +ATOM 2411 CA ASP A 317 26.861 68.941 6.653 1.00 89.77 A +ATOM 2412 C ASP A 317 27.166 67.490 7.002 1.00 86.62 A +ATOM 2413 O ASP A 317 28.231 66.968 6.671 1.00 86.21 A +ATOM 2414 CB ASP A 317 25.826 68.971 5.526 1.00 90.01 A +ATOM 2415 CG ASP A 317 25.486 70.376 5.081 1.00 90.75 A +ATOM 2416 OD1 ASP A 317 25.145 71.209 5.945 1.00 92.16 A +ATOM 2417 OD2 ASP A 317 25.553 70.646 3.864 1.00 91.15 A +ATOM 2418 N ASP A 318 26.223 66.848 7.682 1.00 81.51 A +ATOM 2419 CA ASP A 318 26.369 65.446 8.047 1.00 75.37 A +ATOM 2420 C ASP A 318 25.589 64.654 7.007 1.00 71.61 A +ATOM 2421 O ASP A 318 24.381 64.839 6.851 1.00 71.33 A +ATOM 2422 CB ASP A 318 25.792 65.177 9.440 1.00 75.85 A +ATOM 2423 CG ASP A 318 26.503 65.958 10.526 1.00 75.86 A +ATOM 2424 OD1 ASP A 318 27.749 65.927 10.568 1.00 74.90 A +ATOM 2425 OD2 ASP A 318 25.813 66.597 11.347 1.00 77.00 A +ATOM 2426 N CYS A 319 26.285 63.787 6.283 1.00 66.78 A +ATOM 2427 CA CYS A 319 25.642 62.985 5.252 1.00 62.75 A +ATOM 2428 C CYS A 319 25.640 61.516 5.649 1.00 59.07 A +ATOM 2429 O CYS A 319 26.500 61.069 6.411 1.00 55.99 A +ATOM 2430 CB CYS A 319 26.376 63.149 3.925 1.00 65.19 A +ATOM 2431 SG CYS A 319 26.639 64.865 3.375 1.00 63.18 A +ATOM 2432 N TYR A 320 24.676 60.768 5.124 1.00 54.74 A +ATOM 2433 CA TYR A 320 24.565 59.352 5.441 1.00 51.78 A +ATOM 2434 C TYR A 320 24.064 58.538 4.258 1.00 50.11 A +ATOM 2435 O TYR A 320 23.440 59.069 3.341 1.00 50.61 A +ATOM 2436 CB TYR A 320 23.594 59.138 6.614 1.00 50.59 A +ATOM 2437 CG TYR A 320 23.831 60.022 7.824 1.00 49.24 A +ATOM 2438 CD1 TYR A 320 23.283 61.297 7.897 1.00 51.24 A +ATOM 2439 CD2 TYR A 320 24.588 59.575 8.898 1.00 48.67 A +ATOM 2440 CE1 TYR A 320 23.480 62.100 9.010 1.00 52.22 A +ATOM 2441 CE2 TYR A 320 24.792 60.370 10.011 1.00 50.36 A +ATOM 2442 CZ TYR A 320 24.235 61.630 10.062 1.00 50.78 A +ATOM 2443 OH TYR A 320 24.431 62.417 11.172 1.00 54.13 A +ATOM 2444 N LYS A 321 24.345 57.241 4.288 1.00 49.15 A +ATOM 2445 CA LYS A 321 23.886 56.333 3.248 1.00 50.27 A +ATOM 2446 C LYS A 321 22.962 55.312 3.908 1.00 49.11 A +ATOM 2447 O LYS A 321 23.221 54.872 5.027 1.00 48.48 A +ATOM 2448 CB LYS A 321 25.067 55.617 2.590 1.00 51.07 A +ATOM 2449 CG LYS A 321 25.896 56.501 1.677 1.00 61.89 A +ATOM 2450 CD LYS A 321 27.038 55.725 1.029 1.00 66.89 A +ATOM 2451 CE LYS A 321 27.830 56.612 0.073 1.00 69.98 A +ATOM 2452 NZ LYS A 321 29.004 55.902 -0.506 1.00 71.78 A +ATOM 2453 N PHE A 322 21.882 54.950 3.222 1.00 46.41 A +ATOM 2454 CA PHE A 322 20.925 53.985 3.748 1.00 44.06 A +ATOM 2455 C PHE A 322 21.591 52.611 3.754 1.00 43.85 A +ATOM 2456 O PHE A 322 21.836 52.029 2.699 1.00 42.41 A +ATOM 2457 CB PHE A 322 19.671 53.974 2.872 1.00 44.43 A +ATOM 2458 CG PHE A 322 18.514 53.223 3.470 1.00 44.12 A +ATOM 2459 CD1 PHE A 322 18.053 53.531 4.740 1.00 41.89 A +ATOM 2460 CD2 PHE A 322 17.876 52.225 2.754 1.00 41.01 A +ATOM 2461 CE1 PHE A 322 16.977 52.858 5.279 1.00 40.46 A +ATOM 2462 CE2 PHE A 322 16.798 51.548 3.291 1.00 42.21 A +ATOM 2463 CZ PHE A 322 16.350 51.866 4.554 1.00 42.52 A +ATOM 2464 N ALA A 323 21.874 52.093 4.948 1.00 44.37 A +ATOM 2465 CA ALA A 323 22.555 50.807 5.091 1.00 40.59 A +ATOM 2466 C ALA A 323 21.664 49.565 5.161 1.00 40.15 A +ATOM 2467 O ALA A 323 22.023 48.566 5.785 1.00 36.12 A +ATOM 2468 CB ALA A 323 23.483 50.852 6.301 1.00 39.97 A +ATOM 2469 N ILE A 324 20.498 49.627 4.530 1.00 40.09 A +ATOM 2470 CA ILE A 324 19.605 48.476 4.490 1.00 40.77 A +ATOM 2471 C ILE A 324 19.368 48.208 3.011 1.00 39.96 A +ATOM 2472 O ILE A 324 18.828 49.053 2.301 1.00 42.30 A +ATOM 2473 CB ILE A 324 18.249 48.753 5.174 1.00 37.96 A +ATOM 2474 CG1 ILE A 324 18.454 49.101 6.647 1.00 38.10 A +ATOM 2475 CG2 ILE A 324 17.372 47.525 5.080 1.00 39.08 A +ATOM 2476 CD1 ILE A 324 17.135 49.312 7.404 1.00 35.93 A +ATOM 2477 N SER A 325 19.780 47.038 2.541 1.00 42.82 A +ATOM 2478 CA SER A 325 19.624 46.715 1.129 1.00 44.19 A +ATOM 2479 C SER A 325 18.908 45.401 0.852 1.00 41.77 A +ATOM 2480 O SER A 325 18.820 44.518 1.708 1.00 43.26 A +ATOM 2481 CB SER A 325 20.995 46.714 0.452 1.00 43.23 A +ATOM 2482 OG SER A 325 21.908 45.905 1.166 1.00 47.55 A +ATOM 2483 N GLN A 326 18.397 45.284 -0.367 1.00 40.62 A +ATOM 2484 CA GLN A 326 17.668 44.100 -0.782 1.00 39.76 A +ATOM 2485 C GLN A 326 18.590 42.918 -1.019 1.00 41.33 A +ATOM 2486 O GLN A 326 19.736 43.076 -1.435 1.00 42.19 A +ATOM 2487 CB GLN A 326 16.868 44.405 -2.050 1.00 45.57 A +ATOM 2488 CG GLN A 326 16.130 43.212 -2.625 1.00 48.93 A +ATOM 2489 CD GLN A 326 15.216 43.598 -3.772 1.00 50.73 A +ATOM 2490 OE1 GLN A 326 14.600 42.739 -4.400 1.00 55.02 A +ATOM 2491 NE2 GLN A 326 15.122 44.895 -4.046 1.00 48.26 A +ATOM 2492 N SER A 327 18.076 41.726 -0.753 1.00 40.70 A +ATOM 2493 CA SER A 327 18.849 40.511 -0.929 1.00 41.74 A +ATOM 2494 C SER A 327 18.044 39.457 -1.668 1.00 42.32 A +ATOM 2495 O SER A 327 16.813 39.500 -1.677 1.00 43.03 A +ATOM 2496 CB SER A 327 19.262 39.951 0.432 1.00 39.84 A +ATOM 2497 OG SER A 327 19.851 38.672 0.290 1.00 34.78 A +ATOM 2498 N SER A 328 18.750 38.513 -2.282 1.00 42.32 A +ATOM 2499 CA SER A 328 18.114 37.414 -2.994 1.00 43.03 A +ATOM 2500 C SER A 328 18.642 36.098 -2.428 1.00 42.97 A +ATOM 2501 O SER A 328 18.319 35.021 -2.935 1.00 45.44 A +ATOM 2502 CB SER A 328 18.425 37.490 -4.490 1.00 46.74 A +ATOM 2503 OG SER A 328 19.813 37.342 -4.724 1.00 48.78 A +ATOM 2504 N THR A 329 19.457 36.184 -1.377 1.00 41.23 A +ATOM 2505 CA THR A 329 20.026 34.987 -0.761 1.00 37.17 A +ATOM 2506 C THR A 329 19.754 34.912 0.740 1.00 39.23 A +ATOM 2507 O THR A 329 20.543 34.337 1.503 1.00 35.84 A +ATOM 2508 CB THR A 329 21.555 34.896 -1.005 1.00 40.94 A +ATOM 2509 OG1 THR A 329 22.209 36.046 -0.450 1.00 41.73 A +ATOM 2510 CG2 THR A 329 21.848 34.825 -2.508 1.00 44.30 A +ATOM 2511 N GLY A 330 18.628 35.487 1.151 1.00 36.47 A +ATOM 2512 CA GLY A 330 18.246 35.469 2.549 1.00 38.31 A +ATOM 2513 C GLY A 330 18.638 36.725 3.310 1.00 38.81 A +ATOM 2514 O GLY A 330 19.214 37.655 2.749 1.00 38.25 A +ATOM 2515 N THR A 331 18.315 36.749 4.597 1.00 36.04 A +ATOM 2516 CA THR A 331 18.635 37.885 5.445 1.00 34.14 A +ATOM 2517 C THR A 331 20.088 37.830 5.886 1.00 32.68 A +ATOM 2518 O THR A 331 20.636 36.759 6.150 1.00 32.68 A +ATOM 2519 CB THR A 331 17.751 37.911 6.717 1.00 36.45 A +ATOM 2520 OG1 THR A 331 16.395 38.157 6.345 1.00 38.02 A +ATOM 2521 CG2 THR A 331 18.209 39.012 7.682 1.00 35.84 A +ATOM 2522 N VAL A 332 20.722 38.991 5.946 1.00 31.67 A +ATOM 2523 CA VAL A 332 22.096 39.048 6.413 1.00 30.34 A +ATOM 2524 C VAL A 332 22.178 40.124 7.487 1.00 31.40 A +ATOM 2525 O VAL A 332 21.936 41.305 7.225 1.00 31.18 A +ATOM 2526 CB VAL A 332 23.096 39.402 5.299 1.00 30.03 A +ATOM 2527 CG1 VAL A 332 24.505 39.343 5.856 1.00 24.31 A +ATOM 2528 CG2 VAL A 332 22.951 38.447 4.120 1.00 31.31 A +ATOM 2529 N MET A 333 22.498 39.704 8.703 1.00 29.22 A +ATOM 2530 CA MET A 333 22.636 40.640 9.810 1.00 33.67 A +ATOM 2531 C MET A 333 24.105 41.041 9.821 1.00 30.45 A +ATOM 2532 O MET A 333 24.936 40.349 10.405 1.00 31.89 A +ATOM 2533 CB MET A 333 22.239 39.957 11.125 1.00 30.22 A +ATOM 2534 CG MET A 333 20.729 39.679 11.235 1.00 37.01 A +ATOM 2535 SD MET A 333 20.239 38.578 12.594 1.00 43.43 A +ATOM 2536 CE MET A 333 20.709 39.534 14.003 1.00 36.48 A +ATOM 2537 N GLY A 334 24.412 42.149 9.148 1.00 34.18 A +ATOM 2538 CA GLY A 334 25.784 42.621 9.061 1.00 31.47 A +ATOM 2539 C GLY A 334 26.215 43.534 10.195 1.00 35.71 A +ATOM 2540 O GLY A 334 25.608 43.534 11.265 1.00 32.10 A +ATOM 2541 N ALA A 335 27.263 44.321 9.955 1.00 36.69 A +ATOM 2542 CA ALA A 335 27.791 45.245 10.958 1.00 39.89 A +ATOM 2543 C ALA A 335 26.721 46.195 11.475 1.00 40.95 A +ATOM 2544 O ALA A 335 26.742 46.579 12.643 1.00 45.06 A +ATOM 2545 CB ALA A 335 28.955 46.035 10.381 1.00 40.26 A +ATOM 2546 N VAL A 336 25.797 46.582 10.601 1.00 42.52 A +ATOM 2547 CA VAL A 336 24.711 47.476 10.981 1.00 44.49 A +ATOM 2548 C VAL A 336 24.002 46.927 12.215 1.00 44.03 A +ATOM 2549 O VAL A 336 23.572 47.677 13.089 1.00 43.09 A +ATOM 2550 CB VAL A 336 23.659 47.607 9.850 1.00 46.51 A +ATOM 2551 CG1 VAL A 336 22.367 48.186 10.406 1.00 48.36 A +ATOM 2552 CG2 VAL A 336 24.188 48.497 8.745 1.00 46.01 A +ATOM 2553 N ILE A 337 23.879 45.607 12.270 1.00 39.20 A +ATOM 2554 CA ILE A 337 23.218 44.951 13.382 1.00 37.87 A +ATOM 2555 C ILE A 337 24.189 44.656 14.523 1.00 37.19 A +ATOM 2556 O ILE A 337 23.921 44.994 15.678 1.00 35.81 A +ATOM 2557 CB ILE A 337 22.566 43.625 12.926 1.00 37.48 A +ATOM 2558 CG1 ILE A 337 21.464 43.908 11.903 1.00 44.87 A +ATOM 2559 CG2 ILE A 337 21.997 42.886 14.122 1.00 41.06 A +ATOM 2560 CD1 ILE A 337 20.340 44.792 12.424 1.00 42.56 A +ATOM 2561 N MET A 338 25.323 44.047 14.191 1.00 32.78 A +ATOM 2562 CA MET A 338 26.319 43.673 15.193 1.00 32.86 A +ATOM 2563 C MET A 338 26.944 44.820 15.985 1.00 32.91 A +ATOM 2564 O MET A 338 27.195 44.681 17.177 1.00 31.49 A +ATOM 2565 CB MET A 338 27.430 42.848 14.536 1.00 32.24 A +ATOM 2566 CG MET A 338 26.939 41.542 13.900 1.00 33.97 A +ATOM 2567 SD MET A 338 28.262 40.579 13.157 1.00 34.32 A +ATOM 2568 CE MET A 338 29.188 40.068 14.624 1.00 31.60 A +ATOM 2569 N GLU A 339 27.202 45.944 15.332 1.00 35.52 A +ATOM 2570 CA GLU A 339 27.819 47.081 16.015 1.00 39.36 A +ATOM 2571 C GLU A 339 27.077 47.506 17.283 1.00 40.69 A +ATOM 2572 O GLU A 339 27.670 48.050 18.212 1.00 39.63 A +ATOM 2573 CB GLU A 339 27.952 48.261 15.050 1.00 40.23 A +ATOM 2574 CG GLU A 339 29.063 48.061 14.034 1.00 47.10 A +ATOM 2575 CD GLU A 339 29.135 49.170 12.998 1.00 50.52 A +ATOM 2576 OE1 GLU A 339 30.060 49.135 12.159 1.00 48.47 A +ATOM 2577 OE2 GLU A 339 28.271 50.072 13.024 1.00 49.07 A +ATOM 2578 N GLY A 340 25.781 47.241 17.339 1.00 41.45 A +ATOM 2579 CA GLY A 340 25.046 47.618 18.527 1.00 45.33 A +ATOM 2580 C GLY A 340 25.179 46.635 19.679 1.00 44.60 A +ATOM 2581 O GLY A 340 24.677 46.902 20.773 1.00 47.84 A +ATOM 2582 N PHE A 341 25.871 45.515 19.474 1.00 39.58 A +ATOM 2583 CA PHE A 341 25.962 44.517 20.539 1.00 34.03 A +ATOM 2584 C PHE A 341 27.256 43.732 20.679 1.00 32.59 A +ATOM 2585 O PHE A 341 28.167 43.833 19.870 1.00 29.85 A +ATOM 2586 CB PHE A 341 24.825 43.500 20.378 1.00 37.49 A +ATOM 2587 CG PHE A 341 23.528 44.107 19.939 1.00 37.11 A +ATOM 2588 CD1 PHE A 341 23.272 44.330 18.597 1.00 34.96 A +ATOM 2589 CD2 PHE A 341 22.586 44.502 20.872 1.00 34.57 A +ATOM 2590 CE1 PHE A 341 22.102 44.940 18.194 1.00 38.96 A +ATOM 2591 CE2 PHE A 341 21.408 45.115 20.474 1.00 36.39 A +ATOM 2592 CZ PHE A 341 21.169 45.334 19.136 1.00 35.08 A +ATOM 2593 N TYR A 342 27.307 42.939 21.741 1.00 29.70 A +ATOM 2594 CA TYR A 342 28.428 42.054 22.013 1.00 31.85 A +ATOM 2595 C TYR A 342 27.875 40.731 21.499 1.00 31.82 A +ATOM 2596 O TYR A 342 26.846 40.257 21.991 1.00 32.87 A +ATOM 2597 CB TYR A 342 28.687 41.957 23.511 1.00 31.24 A +ATOM 2598 CG TYR A 342 29.883 41.109 23.835 1.00 35.15 A +ATOM 2599 CD1 TYR A 342 31.142 41.463 23.379 1.00 42.11 A +ATOM 2600 CD2 TYR A 342 29.762 39.959 24.599 1.00 34.67 A +ATOM 2601 CE1 TYR A 342 32.249 40.704 23.673 1.00 39.97 A +ATOM 2602 CE2 TYR A 342 30.872 39.188 24.899 1.00 38.44 A +ATOM 2603 CZ TYR A 342 32.113 39.572 24.432 1.00 35.52 A +ATOM 2604 OH TYR A 342 33.232 38.830 24.722 1.00 32.46 A +ATOM 2605 N VAL A 343 28.528 40.137 20.508 1.00 29.84 A +ATOM 2606 CA VAL A 343 28.010 38.897 19.937 1.00 28.25 A +ATOM 2607 C VAL A 343 28.879 37.679 20.203 1.00 27.76 A +ATOM 2608 O VAL A 343 30.040 37.617 19.790 1.00 27.58 A +ATOM 2609 CB VAL A 343 27.789 39.048 18.410 1.00 32.08 A +ATOM 2610 CG1 VAL A 343 27.092 37.815 17.854 1.00 30.67 A +ATOM 2611 CG2 VAL A 343 26.953 40.292 18.131 1.00 28.34 A +ATOM 2612 N VAL A 344 28.296 36.703 20.890 1.00 26.85 A +ATOM 2613 CA VAL A 344 29.005 35.476 21.224 1.00 26.91 A +ATOM 2614 C VAL A 344 28.652 34.321 20.281 1.00 30.75 A +ATOM 2615 O VAL A 344 27.491 33.920 20.179 1.00 31.22 A +ATOM 2616 CB VAL A 344 28.682 35.015 22.662 1.00 27.04 A +ATOM 2617 CG1 VAL A 344 29.559 33.824 23.024 1.00 27.58 A +ATOM 2618 CG2 VAL A 344 28.886 36.166 23.646 1.00 28.36 A +ATOM 2619 N PHE A 345 29.671 33.803 19.601 1.00 29.61 A +ATOM 2620 CA PHE A 345 29.526 32.682 18.685 1.00 31.08 A +ATOM 2621 C PHE A 345 29.919 31.438 19.471 1.00 30.72 A +ATOM 2622 O PHE A 345 31.058 30.975 19.417 1.00 30.40 A +ATOM 2623 CB PHE A 345 30.436 32.889 17.475 1.00 28.36 A +ATOM 2624 CG PHE A 345 30.007 34.035 16.603 1.00 30.47 A +ATOM 2625 CD1 PHE A 345 29.208 33.814 15.487 1.00 33.33 A +ATOM 2626 CD2 PHE A 345 30.349 35.336 16.929 1.00 28.59 A +ATOM 2627 CE1 PHE A 345 28.755 34.870 14.716 1.00 31.52 A +ATOM 2628 CE2 PHE A 345 29.900 36.395 16.166 1.00 29.62 A +ATOM 2629 CZ PHE A 345 29.098 36.161 15.054 1.00 33.52 A +ATOM 2630 N ASP A 346 28.952 30.918 20.217 1.00 28.90 A +ATOM 2631 CA ASP A 346 29.155 29.757 21.074 1.00 31.38 A +ATOM 2632 C ASP A 346 28.994 28.458 20.294 1.00 32.69 A +ATOM 2633 O ASP A 346 27.998 27.756 20.436 1.00 30.71 A +ATOM 2634 CB ASP A 346 28.151 29.796 22.232 1.00 28.37 A +ATOM 2635 CG ASP A 346 28.478 28.800 23.323 1.00 33.86 A +ATOM 2636 OD1 ASP A 346 29.356 27.947 23.094 1.00 31.84 A +ATOM 2637 OD2 ASP A 346 27.852 28.867 24.404 1.00 32.44 A +ATOM 2638 N ARG A 347 29.993 28.151 19.478 1.00 32.62 A +ATOM 2639 CA ARG A 347 29.995 26.950 18.657 1.00 34.84 A +ATOM 2640 C ARG A 347 29.810 25.696 19.507 1.00 37.14 A +ATOM 2641 O ARG A 347 29.060 24.796 19.138 1.00 37.37 A +ATOM 2642 CB ARG A 347 31.307 26.885 17.870 1.00 31.80 A +ATOM 2643 CG ARG A 347 31.499 28.060 16.916 1.00 32.47 A +ATOM 2644 CD ARG A 347 32.974 28.321 16.628 1.00 33.46 A +ATOM 2645 NE ARG A 347 33.666 27.138 16.131 1.00 37.59 A +ATOM 2646 CZ ARG A 347 33.762 26.808 14.849 1.00 37.56 A +ATOM 2647 NH1 ARG A 347 33.213 27.578 13.919 1.00 36.46 A +ATOM 2648 NH2 ARG A 347 34.403 25.700 14.497 1.00 39.62 A +ATOM 2649 N ALA A 348 30.468 25.658 20.663 1.00 34.16 A +ATOM 2650 CA ALA A 348 30.385 24.511 21.563 1.00 37.78 A +ATOM 2651 C ALA A 348 28.952 24.159 21.952 1.00 39.04 A +ATOM 2652 O ALA A 348 28.596 22.987 22.048 1.00 39.42 A +ATOM 2653 CB ALA A 348 31.218 24.777 22.830 1.00 37.78 A +ATOM 2654 N ARG A 349 28.130 25.173 22.186 1.00 38.47 A +ATOM 2655 CA ARG A 349 26.748 24.934 22.579 1.00 37.61 A +ATOM 2656 C ARG A 349 25.772 25.294 21.462 1.00 36.03 A +ATOM 2657 O ARG A 349 24.575 25.465 21.688 1.00 33.03 A +ATOM 2658 CB ARG A 349 26.448 25.704 23.872 1.00 37.58 A +ATOM 2659 CG ARG A 349 27.327 25.220 25.038 1.00 42.31 A +ATOM 2660 CD ARG A 349 27.183 26.043 26.316 1.00 42.78 A +ATOM 2661 NE ARG A 349 25.842 25.980 26.894 1.00 46.07 A +ATOM 2662 CZ ARG A 349 25.534 26.410 28.115 1.00 48.23 A +ATOM 2663 NH1 ARG A 349 26.475 26.931 28.892 1.00 49.99 A +ATOM 2664 NH2 ARG A 349 24.286 26.329 28.558 1.00 50.79 A +ATOM 2665 N LYS A 350 26.310 25.400 20.251 1.00 34.69 A +ATOM 2666 CA LYS A 350 25.530 25.707 19.055 1.00 35.27 A +ATOM 2667 C LYS A 350 24.529 26.821 19.265 1.00 32.52 A +ATOM 2668 O LYS A 350 23.327 26.631 19.073 1.00 31.43 A +ATOM 2669 CB LYS A 350 24.794 24.454 18.562 1.00 40.40 A +ATOM 2670 CG LYS A 350 25.680 23.230 18.401 1.00 46.78 A +ATOM 2671 CD LYS A 350 24.891 22.053 17.829 1.00 57.36 A +ATOM 2672 CE LYS A 350 25.661 20.743 17.953 1.00 59.88 A +ATOM 2673 NZ LYS A 350 26.997 20.793 17.299 1.00 61.39 A +ATOM 2674 N ARG A 351 25.028 27.989 19.648 1.00 30.02 A +ATOM 2675 CA ARG A 351 24.165 29.132 19.884 1.00 27.65 A +ATOM 2676 C ARG A 351 24.943 30.428 19.705 1.00 28.77 A +ATOM 2677 O ARG A 351 26.177 30.447 19.761 1.00 28.42 A +ATOM 2678 CB ARG A 351 23.573 29.067 21.299 1.00 30.91 A +ATOM 2679 CG ARG A 351 24.619 28.968 22.400 1.00 28.14 A +ATOM 2680 CD ARG A 351 24.000 28.907 23.800 1.00 31.93 A +ATOM 2681 NE ARG A 351 25.011 29.114 24.840 1.00 34.13 A +ATOM 2682 CZ ARG A 351 24.741 29.269 26.132 1.00 34.75 A +ATOM 2683 NH1 ARG A 351 23.483 29.238 26.563 1.00 30.72 A +ATOM 2684 NH2 ARG A 351 25.729 29.474 26.995 1.00 33.10 A +ATOM 2685 N ILE A 352 24.205 31.505 19.475 1.00 27.74 A +ATOM 2686 CA ILE A 352 24.781 32.821 19.292 1.00 28.10 A +ATOM 2687 C ILE A 352 24.129 33.739 20.322 1.00 30.02 A +ATOM 2688 O ILE A 352 22.907 33.836 20.386 1.00 29.35 A +ATOM 2689 CB ILE A 352 24.517 33.334 17.861 1.00 29.02 A +ATOM 2690 CG1 ILE A 352 25.255 32.438 16.858 1.00 29.27 A +ATOM 2691 CG2 ILE A 352 25.019 34.768 17.711 1.00 29.26 A +ATOM 2692 CD1 ILE A 352 25.118 32.883 15.434 1.00 35.01 A +ATOM 2693 N GLY A 353 24.949 34.396 21.139 1.00 30.35 A +ATOM 2694 CA GLY A 353 24.412 35.276 22.158 1.00 27.67 A +ATOM 2695 C GLY A 353 24.510 36.744 21.816 1.00 28.81 A +ATOM 2696 O GLY A 353 25.448 37.172 21.146 1.00 29.10 A +ATOM 2697 N PHE A 354 23.529 37.516 22.268 1.00 30.24 A +ATOM 2698 CA PHE A 354 23.511 38.950 22.028 1.00 30.73 A +ATOM 2699 C PHE A 354 23.351 39.684 23.352 1.00 31.11 A +ATOM 2700 O PHE A 354 22.556 39.279 24.203 1.00 29.27 A +ATOM 2701 CB PHE A 354 22.347 39.355 21.109 1.00 31.17 A +ATOM 2702 CG PHE A 354 22.483 38.884 19.685 1.00 33.68 A +ATOM 2703 CD1 PHE A 354 22.162 37.579 19.335 1.00 28.85 A +ATOM 2704 CD2 PHE A 354 22.913 39.755 18.693 1.00 29.70 A +ATOM 2705 CE1 PHE A 354 22.262 37.153 18.024 1.00 33.17 A +ATOM 2706 CE2 PHE A 354 23.018 39.336 17.376 1.00 31.64 A +ATOM 2707 CZ PHE A 354 22.693 38.035 17.037 1.00 30.39 A +ATOM 2708 N ALA A 355 24.111 40.764 23.512 1.00 30.54 A +ATOM 2709 CA ALA A 355 24.048 41.607 24.705 1.00 28.78 A +ATOM 2710 C ALA A 355 24.365 43.047 24.297 1.00 33.12 A +ATOM 2711 O ALA A 355 25.130 43.279 23.355 1.00 30.87 A +ATOM 2712 CB ALA A 355 25.053 41.132 25.746 1.00 27.51 A +ATOM 2713 N VAL A 356 23.774 44.014 24.989 1.00 33.13 A +ATOM 2714 CA VAL A 356 24.051 45.409 24.675 1.00 34.45 A +ATOM 2715 C VAL A 356 25.555 45.615 24.830 1.00 34.31 A +ATOM 2716 O VAL A 356 26.149 45.229 25.843 1.00 34.48 A +ATOM 2717 CB VAL A 356 23.309 46.368 25.626 1.00 35.18 A +ATOM 2718 CG1 VAL A 356 23.695 47.818 25.312 1.00 37.77 A +ATOM 2719 CG2 VAL A 356 21.800 46.175 25.484 1.00 37.16 A +ATOM 2720 N SER A 357 26.175 46.202 23.816 1.00 34.34 A +ATOM 2721 CA SER A 357 27.614 46.437 23.848 1.00 38.95 A +ATOM 2722 C SER A 357 27.997 47.657 24.686 1.00 41.04 A +ATOM 2723 O SER A 357 27.238 48.621 24.780 1.00 41.17 A +ATOM 2724 CB SER A 357 28.145 46.636 22.427 1.00 39.20 A +ATOM 2725 OG SER A 357 29.513 47.013 22.457 1.00 42.53 A +ATOM 2726 N ALA A 358 29.183 47.610 25.285 1.00 42.20 A +ATOM 2727 CA ALA A 358 29.671 48.733 26.076 1.00 45.41 A +ATOM 2728 C ALA A 358 29.926 49.917 25.144 1.00 48.05 A +ATOM 2729 O ALA A 358 29.793 51.071 25.548 1.00 51.88 A +ATOM 2730 CB ALA A 358 30.957 48.354 26.802 1.00 45.80 A +ATOM 2731 N CYS A 359 30.291 49.634 23.896 1.00 47.80 A +ATOM 2732 CA CYS A 359 30.548 50.703 22.936 1.00 52.48 A +ATOM 2733 C CYS A 359 29.337 50.993 22.052 1.00 57.99 A +ATOM 2734 O CYS A 359 29.482 51.384 20.896 1.00 61.11 A +ATOM 2735 CB CYS A 359 31.765 50.370 22.055 1.00 50.78 A +ATOM 2736 SG CYS A 359 31.576 48.963 20.908 1.00 47.83 A +ATOM 2737 N HIS A 360 28.141 50.813 22.600 1.00 63.08 A +ATOM 2738 CA HIS A 360 26.924 51.074 21.839 1.00 69.45 A +ATOM 2739 C HIS A 360 26.824 52.554 21.483 1.00 71.09 A +ATOM 2740 O HIS A 360 27.329 53.412 22.203 1.00 69.21 A +ATOM 2741 CB HIS A 360 25.688 50.664 22.645 1.00 72.84 A +ATOM 2742 CG HIS A 360 25.527 51.417 23.929 1.00 77.82 A +ATOM 2743 ND1 HIS A 360 26.383 51.259 24.999 1.00 79.46 A +ATOM 2744 CD2 HIS A 360 24.617 52.344 24.311 1.00 78.98 A +ATOM 2745 CE1 HIS A 360 26.007 52.056 25.983 1.00 79.85 A +ATOM 2746 NE2 HIS A 360 24.937 52.725 25.592 1.00 79.73 A +ATOM 2747 N VAL A 361 26.174 52.848 20.363 1.00 75.14 A +ATOM 2748 CA VAL A 361 26.001 54.228 19.928 1.00 80.22 A +ATOM 2749 C VAL A 361 24.534 54.615 20.068 1.00 82.10 A +ATOM 2750 O VAL A 361 23.757 54.501 19.121 1.00 82.74 A +ATOM 2751 CB VAL A 361 26.432 54.411 18.458 1.00 81.65 A +ATOM 2752 CG1 VAL A 361 26.245 55.863 18.040 1.00 82.35 A +ATOM 2753 CG2 VAL A 361 27.887 53.989 18.289 1.00 81.67 A +ATOM 2754 N HIS A 362 24.168 55.075 21.260 1.00 84.26 A +ATOM 2755 CA HIS A 362 22.793 55.466 21.552 1.00 87.33 A +ATOM 2756 C HIS A 362 22.553 56.961 21.388 1.00 85.94 A +ATOM 2757 O HIS A 362 23.460 57.770 21.593 1.00 84.79 A +ATOM 2758 CB HIS A 362 22.429 55.044 22.980 1.00 91.12 A +ATOM 2759 CG HIS A 362 23.355 55.586 24.026 1.00 94.75 A +ATOM 2760 ND1 HIS A 362 24.718 55.379 23.996 1.00 95.19 A +ATOM 2761 CD2 HIS A 362 23.113 56.321 25.138 1.00 95.10 A +ATOM 2762 CE1 HIS A 362 25.274 55.961 25.043 1.00 95.23 A +ATOM 2763 NE2 HIS A 362 24.322 56.541 25.752 1.00 95.18 A +ATOM 2764 N ASP A 363 21.327 57.322 21.018 1.00 84.46 A +ATOM 2765 CA ASP A 363 20.977 58.724 20.849 1.00 83.05 A +ATOM 2766 C ASP A 363 20.655 59.318 22.213 1.00 81.51 A +ATOM 2767 O ASP A 363 21.238 58.916 23.219 1.00 81.32 A +ATOM 2768 CB ASP A 363 19.786 58.887 19.896 1.00 84.38 A +ATOM 2769 CG ASP A 363 18.521 58.255 20.424 1.00 84.46 A +ATOM 2770 OD1 ASP A 363 17.464 58.410 19.776 1.00 82.26 A +ATOM 2771 OD2 ASP A 363 18.581 57.603 21.483 1.00 88.85 A +ATOM 2772 N GLU A 364 19.724 60.263 22.259 1.00 80.02 A +ATOM 2773 CA GLU A 364 19.391 60.893 23.529 1.00 77.92 A +ATOM 2774 C GLU A 364 18.098 60.431 24.190 1.00 74.00 A +ATOM 2775 O GLU A 364 17.996 60.456 25.416 1.00 74.90 A +ATOM 2776 CB GLU A 364 19.377 62.416 23.369 1.00 81.03 A +ATOM 2777 CG GLU A 364 18.383 62.941 22.352 1.00 84.79 A +ATOM 2778 CD GLU A 364 18.507 64.438 22.155 1.00 86.44 A +ATOM 2779 OE1 GLU A 364 18.446 65.175 23.162 1.00 88.47 A +ATOM 2780 OE2 GLU A 364 18.666 64.879 20.996 1.00 86.87 A +ATOM 2781 N PHE A 365 17.114 60.004 23.404 1.00 67.56 A +ATOM 2782 CA PHE A 365 15.862 59.560 24.004 1.00 62.05 A +ATOM 2783 C PHE A 365 15.511 58.089 23.765 1.00 59.14 A +ATOM 2784 O PHE A 365 14.511 57.595 24.287 1.00 58.60 A +ATOM 2785 CB PHE A 365 14.713 60.478 23.560 1.00 63.70 A +ATOM 2786 CG PHE A 365 14.240 60.251 22.148 1.00 67.55 A +ATOM 2787 CD1 PHE A 365 13.113 59.479 21.896 1.00 68.10 A +ATOM 2788 CD2 PHE A 365 14.888 60.848 21.076 1.00 68.50 A +ATOM 2789 CE1 PHE A 365 12.640 59.310 20.601 1.00 68.05 A +ATOM 2790 CE2 PHE A 365 14.420 60.682 19.779 1.00 66.49 A +ATOM 2791 CZ PHE A 365 13.295 59.914 19.543 1.00 67.31 A +ATOM 2792 N ARG A 366 16.339 57.388 22.995 1.00 51.89 A +ATOM 2793 CA ARG A 366 16.102 55.975 22.709 1.00 48.11 A +ATOM 2794 C ARG A 366 17.365 55.169 22.983 1.00 47.74 A +ATOM 2795 O ARG A 366 18.472 55.696 22.922 1.00 47.41 A +ATOM 2796 CB ARG A 366 15.659 55.792 21.256 1.00 42.02 A +ATOM 2797 CG ARG A 366 14.269 56.355 20.962 1.00 40.83 A +ATOM 2798 CD ARG A 366 13.944 56.324 19.470 1.00 41.54 A +ATOM 2799 NE ARG A 366 14.873 57.155 18.707 1.00 43.05 A +ATOM 2800 CZ ARG A 366 14.814 57.332 17.392 1.00 44.46 A +ATOM 2801 NH1 ARG A 366 13.867 56.736 16.683 1.00 37.29 A +ATOM 2802 NH2 ARG A 366 15.701 58.108 16.781 1.00 43.61 A +ATOM 2803 N THR A 367 17.201 53.888 23.289 1.00 49.47 A +ATOM 2804 CA THR A 367 18.348 53.043 23.593 1.00 51.31 A +ATOM 2805 C THR A 367 18.273 51.691 22.897 1.00 50.39 A +ATOM 2806 O THR A 367 17.236 51.032 22.925 1.00 51.18 A +ATOM 2807 CB THR A 367 18.455 52.786 25.111 1.00 52.24 A +ATOM 2808 OG1 THR A 367 18.289 54.020 25.822 1.00 58.72 A +ATOM 2809 CG2 THR A 367 19.815 52.198 25.455 1.00 53.32 A +ATOM 2810 N ALA A 368 19.372 51.284 22.267 1.00 47.29 A +ATOM 2811 CA ALA A 368 19.418 49.991 21.603 1.00 45.68 A +ATOM 2812 C ALA A 368 19.292 48.981 22.735 1.00 45.67 A +ATOM 2813 O ALA A 368 19.774 49.229 23.846 1.00 47.32 A +ATOM 2814 CB ALA A 368 20.744 49.815 20.872 1.00 43.75 A +ATOM 2815 N ALA A 369 18.647 47.849 22.474 1.00 38.54 A +ATOM 2816 CA ALA A 369 18.468 46.859 23.530 1.00 36.03 A +ATOM 2817 C ALA A 369 18.322 45.417 23.068 1.00 32.91 A +ATOM 2818 O ALA A 369 18.093 45.134 21.894 1.00 31.23 A +ATOM 2819 CB ALA A 369 17.248 47.238 24.379 1.00 36.37 A +ATOM 2820 N VAL A 370 18.475 44.515 24.030 1.00 29.58 A +ATOM 2821 CA VAL A 370 18.310 43.085 23.827 1.00 32.44 A +ATOM 2822 C VAL A 370 17.380 42.784 24.986 1.00 33.94 A +ATOM 2823 O VAL A 370 17.762 42.915 26.157 1.00 33.00 A +ATOM 2824 CB VAL A 370 19.628 42.300 24.005 1.00 32.13 A +ATOM 2825 CG1 VAL A 370 19.401 40.836 23.638 1.00 30.58 A +ATOM 2826 CG2 VAL A 370 20.722 42.902 23.134 1.00 31.71 A +ATOM 2827 N GLU A 371 16.155 42.396 24.662 1.00 30.68 A +ATOM 2828 CA GLU A 371 15.157 42.160 25.691 1.00 34.06 A +ATOM 2829 C GLU A 371 14.437 40.829 25.587 1.00 33.45 A +ATOM 2830 O GLU A 371 14.149 40.342 24.495 1.00 33.17 A +ATOM 2831 CB GLU A 371 14.131 43.302 25.662 1.00 36.72 A +ATOM 2832 CG GLU A 371 14.690 44.652 26.115 1.00 45.42 A +ATOM 2833 CD GLU A 371 13.822 45.841 25.699 1.00 50.24 A +ATOM 2834 OE1 GLU A 371 13.960 46.923 26.315 1.00 55.94 A +ATOM 2835 OE2 GLU A 371 13.016 45.707 24.752 1.00 50.61 A +ATOM 2836 N GLY A 372 14.128 40.266 26.747 1.00 34.78 A +ATOM 2837 CA GLY A 372 13.428 39.002 26.803 1.00 34.45 A +ATOM 2838 C GLY A 372 12.955 38.750 28.221 1.00 36.55 A +ATOM 2839 O GLY A 372 13.264 39.525 29.131 1.00 34.58 A +ATOM 2840 N PRO A 373 12.193 37.669 28.436 1.00 31.63 A +ATOM 2841 CA PRO A 373 11.824 36.759 27.347 1.00 32.09 A +ATOM 2842 C PRO A 373 10.485 37.140 26.733 1.00 31.67 A +ATOM 2843 O PRO A 373 9.684 37.829 27.360 1.00 33.31 A +ATOM 2844 CB PRO A 373 11.725 35.415 28.055 1.00 33.91 A +ATOM 2845 CG PRO A 373 11.080 35.820 29.359 1.00 31.35 A +ATOM 2846 CD PRO A 373 11.875 37.074 29.748 1.00 29.90 A +ATOM 2847 N PHE A 374 10.248 36.699 25.504 1.00 29.38 A +ATOM 2848 CA PHE A 374 8.961 36.934 24.854 1.00 28.96 A +ATOM 2849 C PHE A 374 8.392 35.561 24.551 1.00 30.52 A +ATOM 2850 O PHE A 374 9.140 34.595 24.412 1.00 28.21 A +ATOM 2851 CB PHE A 374 9.108 37.691 23.532 1.00 29.53 A +ATOM 2852 CG PHE A 374 9.396 39.152 23.695 1.00 27.00 A +ATOM 2853 CD1 PHE A 374 10.680 39.595 23.959 1.00 27.95 A +ATOM 2854 CD2 PHE A 374 8.373 40.079 23.617 1.00 30.81 A +ATOM 2855 CE1 PHE A 374 10.936 40.944 24.150 1.00 33.26 A +ATOM 2856 CE2 PHE A 374 8.622 41.428 23.805 1.00 32.89 A +ATOM 2857 CZ PHE A 374 9.908 41.857 24.073 1.00 30.45 A +ATOM 2858 N VAL A 375 7.074 35.461 24.454 1.00 31.09 A +ATOM 2859 CA VAL A 375 6.473 34.188 24.116 1.00 32.39 A +ATOM 2860 C VAL A 375 6.106 34.271 22.638 1.00 33.13 A +ATOM 2861 O VAL A 375 5.517 35.255 22.191 1.00 34.11 A +ATOM 2862 CB VAL A 375 5.216 33.900 24.961 1.00 32.00 A +ATOM 2863 CG1 VAL A 375 4.178 34.972 24.735 1.00 31.81 A +ATOM 2864 CG2 VAL A 375 4.666 32.529 24.610 1.00 30.74 A +ATOM 2865 N THR A 376 6.489 33.247 21.886 1.00 30.93 A +ATOM 2866 CA THR A 376 6.216 33.178 20.454 1.00 33.47 A +ATOM 2867 C THR A 376 5.922 31.724 20.082 1.00 35.88 A +ATOM 2868 O THR A 376 6.783 30.856 20.214 1.00 36.09 A +ATOM 2869 CB THR A 376 7.433 33.650 19.625 1.00 32.88 A +ATOM 2870 OG1 THR A 376 7.797 34.981 20.013 1.00 35.14 A +ATOM 2871 CG2 THR A 376 7.098 33.626 18.137 1.00 35.42 A +ATOM 2872 N LEU A 377 4.708 31.467 19.615 1.00 37.60 A +ATOM 2873 CA LEU A 377 4.298 30.118 19.241 1.00 40.18 A +ATOM 2874 C LEU A 377 4.730 29.734 17.831 1.00 39.56 A +ATOM 2875 O LEU A 377 4.904 30.593 16.965 1.00 38.45 A +ATOM 2876 CB LEU A 377 2.776 29.993 19.344 1.00 42.48 A +ATOM 2877 CG LEU A 377 2.123 30.483 20.640 1.00 44.77 A +ATOM 2878 CD1 LEU A 377 0.623 30.208 20.594 1.00 42.77 A +ATOM 2879 CD2 LEU A 377 2.758 29.790 21.831 1.00 41.66 A +ATOM 2880 N ASP A 378 4.911 28.435 17.611 1.00 39.08 A +ATOM 2881 CA ASP A 378 5.281 27.923 16.296 1.00 41.74 A +ATOM 2882 C ASP A 378 6.512 28.583 15.671 1.00 40.66 A +ATOM 2883 O ASP A 378 6.521 28.862 14.472 1.00 40.27 A +ATOM 2884 CB ASP A 378 4.092 28.095 15.352 1.00 46.94 A +ATOM 2885 CG ASP A 378 2.828 27.448 15.884 1.00 52.14 A +ATOM 2886 OD1 ASP A 378 1.726 27.906 15.518 1.00 57.04 A +ATOM 2887 OD2 ASP A 378 2.937 26.475 16.660 1.00 53.11 A +ATOM 2888 N MET A 379 7.551 28.825 16.463 1.00 40.75 A +ATOM 2889 CA MET A 379 8.753 29.460 15.931 1.00 40.55 A +ATOM 2890 C MET A 379 9.417 28.598 14.860 1.00 43.90 A +ATOM 2891 O MET A 379 9.970 29.115 13.889 1.00 42.43 A +ATOM 2892 CB MET A 379 9.753 29.744 17.055 1.00 39.73 A +ATOM 2893 CG MET A 379 9.275 30.775 18.059 1.00 37.39 A +ATOM 2894 SD MET A 379 10.559 31.188 19.254 1.00 37.16 A +ATOM 2895 CE MET A 379 10.618 29.667 20.203 1.00 38.17 A +ATOM 2896 N GLU A 380 9.347 27.283 15.032 1.00 44.33 A +ATOM 2897 CA GLU A 380 9.959 26.370 14.078 1.00 49.96 A +ATOM 2898 C GLU A 380 9.406 26.558 12.665 1.00 48.54 A +ATOM 2899 O GLU A 380 10.104 26.307 11.684 1.00 49.14 A +ATOM 2900 CB GLU A 380 9.761 24.922 14.531 1.00 53.84 A +ATOM 2901 CG GLU A 380 10.884 23.991 14.088 1.00 65.89 A +ATOM 2902 CD GLU A 380 12.236 24.388 14.672 1.00 71.76 A +ATOM 2903 OE1 GLU A 380 12.382 24.369 15.915 1.00 71.95 A +ATOM 2904 OE2 GLU A 380 13.153 24.720 13.887 1.00 73.98 A +ATOM 2905 N ASP A 381 8.159 27.008 12.560 1.00 47.24 A +ATOM 2906 CA ASP A 381 7.546 27.235 11.256 1.00 46.14 A +ATOM 2907 C ASP A 381 8.161 28.434 10.541 1.00 44.67 A +ATOM 2908 O ASP A 381 7.921 28.645 9.349 1.00 44.47 A +ATOM 2909 CB ASP A 381 6.039 27.456 11.400 1.00 53.53 A +ATOM 2910 CG ASP A 381 5.310 26.217 11.882 1.00 57.91 A +ATOM 2911 OD1 ASP A 381 5.494 25.144 11.268 1.00 60.66 A +ATOM 2912 OD2 ASP A 381 4.550 26.317 12.868 1.00 62.59 A +ATOM 2913 N CYS A 382 8.951 29.221 11.266 1.00 38.92 A +ATOM 2914 CA CYS A 382 9.594 30.394 10.683 1.00 34.70 A +ATOM 2915 C CYS A 382 10.789 30.016 9.832 1.00 36.02 A +ATOM 2916 O CYS A 382 11.218 30.785 8.967 1.00 35.95 A +ATOM 2917 CB CYS A 382 10.034 31.350 11.787 1.00 34.98 A +ATOM 2918 SG CYS A 382 8.626 31.963 12.756 1.00 39.75 A +ATOM 2919 N GLY A 383 11.334 28.833 10.085 1.00 36.47 A +ATOM 2920 CA GLY A 383 12.475 28.383 9.316 1.00 41.20 A +ATOM 2921 C GLY A 383 12.043 27.966 7.925 1.00 45.45 A +ATOM 2922 O GLY A 383 11.008 27.319 7.759 1.00 46.42 A +ATOM 2923 N TYR A 384 12.823 28.344 6.919 1.00 44.27 A +ATOM 2924 CA TYR A 384 12.506 27.985 5.544 1.00 47.42 A +ATOM 2925 C TYR A 384 13.159 26.659 5.170 1.00 49.89 A +ATOM 2926 O TYR A 384 14.291 26.377 5.569 1.00 47.70 A +ATOM 2927 CB TYR A 384 12.983 29.068 4.577 1.00 48.71 A +ATOM 2928 CG TYR A 384 12.759 28.708 3.126 1.00 52.29 A +ATOM 2929 CD1 TYR A 384 11.480 28.685 2.583 1.00 53.68 A +ATOM 2930 CD2 TYR A 384 13.823 28.368 2.305 1.00 50.72 A +ATOM 2931 CE1 TYR A 384 11.272 28.334 1.260 1.00 54.69 A +ATOM 2932 CE2 TYR A 384 13.626 28.017 0.986 1.00 52.06 A +ATOM 2933 CZ TYR A 384 12.351 28.001 0.466 1.00 54.06 A +ATOM 2934 OH TYR A 384 12.163 27.654 -0.853 1.00 56.29 A +ATOM 2935 N ASN A 385 12.437 25.850 4.403 1.00 51.86 A +ATOM 2936 CA ASN A 385 12.939 24.555 3.961 1.00 57.81 A +ATOM 2937 C ASN A 385 12.703 24.366 2.466 1.00 60.10 A +ATOM 2938 O ASN A 385 11.901 25.134 1.894 1.00 61.61 A +ATOM 2939 CB ASN A 385 12.245 23.427 4.729 1.00 57.44 A +ATOM 2940 CG ASN A 385 12.663 23.372 6.182 1.00 58.08 A +ATOM 2941 OD1 ASN A 385 13.831 23.141 6.494 1.00 58.73 A +ATOM 2942 ND2 ASN A 385 11.710 23.584 7.082 1.00 60.63 A +END diff --git a/example/shape/data/sha_ref.pdb b/example/shape/data/sha_ref.pdb new file mode 100644 index 0000000..b0ea798 --- /dev/null +++ b/example/shape/data/sha_ref.pdb @@ -0,0 +1,3015 @@ +ATOM 1 N SER A -2 55.475 -3.828 31.026 1.00 56.68 N1+ +ATOM 2 CA SER A -2 55.711 -2.553 31.699 1.00 67.75 C +ATOM 3 C SER A -2 54.715 -1.493 31.216 1.00 64.65 C +ATOM 4 O SER A -2 55.048 -0.602 30.434 1.00 72.58 O +ATOM 5 CB SER A -2 57.146 -2.104 31.440 1.00 80.44 C +ATOM 6 OG SER A -2 57.397 -2.073 30.043 1.00 90.61 O +ATOM 7 N PHE A -1 53.511 -1.559 31.780 1.00 50.91 N +ATOM 8 CA PHE A -1 52.355 -0.832 31.283 1.00 42.64 C +ATOM 9 C PHE A -1 51.690 0.087 32.301 1.00 41.75 C +ATOM 10 O PHE A -1 50.684 0.730 31.965 1.00 37.58 O +ATOM 11 CB PHE A -1 51.344 -1.845 30.741 1.00 44.25 C +ATOM 12 CG PHE A -1 51.899 -2.717 29.641 1.00 47.71 C +ATOM 13 CD1 PHE A -1 52.553 -2.154 28.561 1.00 52.13 C +ATOM 14 CD2 PHE A -1 51.809 -4.095 29.711 1.00 49.66 C +ATOM 15 CE1 PHE A -1 53.065 -2.947 27.542 1.00 54.05 C +ATOM 16 CE2 PHE A -1 52.331 -4.893 28.690 1.00 44.85 C +ATOM 17 CZ PHE A -1 52.957 -4.311 27.614 1.00 39.46 C +ATOM 18 N VAL A 0 52.185 0.142 33.542 1.00 38.18 N +ATOM 19 CA VAL A 0 51.516 0.936 34.577 1.00 40.84 C +ATOM 20 C VAL A 0 51.334 2.380 34.148 1.00 40.44 C +ATOM 21 O VAL A 0 50.337 3.022 34.516 1.00 39.40 O +ATOM 22 CB VAL A 0 52.275 0.837 35.929 1.00 37.70 C +ATOM 23 CG1 VAL A 0 53.659 1.495 35.854 1.00 38.55 C +ATOM 24 CG2 VAL A 0 51.453 1.454 37.059 1.00 40.39 C +ATOM 25 N GLU A 1 52.242 2.905 33.318 1.00 40.07 N +ATOM 26 CA GLU A 1 52.110 4.298 32.902 1.00 43.23 C +ATOM 27 C GLU A 1 50.877 4.532 32.035 1.00 49.52 C +ATOM 28 O GLU A 1 50.383 5.664 31.974 1.00 44.94 O +ATOM 29 CB GLU A 1 53.367 4.750 32.157 1.00 51.14 C +ATOM 30 CG GLU A 1 54.628 4.679 33.010 1.00 70.06 C +ATOM 31 CD GLU A 1 55.884 5.088 32.261 1.00 88.18 C +ATOM 32 OE1 GLU A 1 55.919 6.216 31.728 1.00 95.57 O +ATOM 33 OE2 GLU A 1 56.845 4.290 32.225 1.00 94.42 O1- +ATOM 34 N MET A 2 50.326 3.483 31.429 1.00 36.13 N +ATOM 35 CA MET A 2 49.169 3.636 30.552 1.00 41.66 C +ATOM 36 C MET A 2 47.864 3.295 31.250 1.00 40.39 C +ATOM 37 O MET A 2 46.791 3.546 30.690 1.00 38.64 O +ATOM 38 CB MET A 2 49.322 2.743 29.312 1.00 39.07 C +ATOM 39 CG MET A 2 50.552 3.087 28.474 1.00 43.45 C +ATOM 40 SD MET A 2 50.706 1.990 27.042 1.00 44.06 S +ATOM 41 CE MET A 2 52.112 1.005 27.490 1.00 49.68 C +ATOM 42 N VAL A 3 47.929 2.730 32.458 1.00 41.39 N +ATOM 43 CA VAL A 3 46.707 2.464 33.193 1.00 33.97 C +ATOM 44 C VAL A 3 46.044 3.800 33.492 1.00 36.33 C +ATOM 45 O VAL A 3 46.715 4.780 33.840 1.00 39.05 O +ATOM 46 CB VAL A 3 47.004 1.667 34.476 1.00 39.80 C +ATOM 47 CG1 VAL A 3 45.721 1.419 35.230 1.00 35.70 C +ATOM 48 CG2 VAL A 3 47.672 0.336 34.133 1.00 37.21 C +ATOM 49 N ASP A 4 44.717 3.850 33.319 1.00 37.80 N +ATOM 50 CA ASP A 4 43.900 5.033 33.595 1.00 39.51 C +ATOM 51 C ASP A 4 44.165 6.172 32.618 1.00 38.49 C +ATOM 52 O ASP A 4 43.942 7.334 32.966 1.00 37.87 O +ATOM 53 CB ASP A 4 44.089 5.566 35.031 1.00 44.41 C +ATOM 54 CG ASP A 4 43.541 4.628 36.098 1.00 56.56 C +ATOM 55 OD1 ASP A 4 44.051 4.678 37.248 1.00 58.84 O +ATOM 56 OD2 ASP A 4 42.611 3.842 35.790 1.00 57.70 O1- +ATOM 57 N ASN A 5 44.629 5.884 31.396 1.00 35.01 N +ATOM 58 CA ASN A 5 44.900 6.954 30.440 1.00 36.16 C +ATOM 59 C ASN A 5 43.689 7.338 29.591 1.00 38.05 C +ATOM 60 O ASN A 5 43.826 8.184 28.702 1.00 43.47 O +ATOM 61 CB ASN A 5 46.080 6.591 29.520 1.00 34.55 C +ATOM 62 CG ASN A 5 45.813 5.366 28.643 1.00 35.39 C +ATOM 63 OD1 ASN A 5 44.771 4.727 28.736 1.00 34.63 O +ATOM 64 ND2 ASN A 5 46.778 5.031 27.790 1.00 34.74 N +ATOM 65 N LEU A 6 42.504 6.794 29.872 1.00 36.78 N +ATOM 66 CA LEU A 6 41.295 7.142 29.133 1.00 35.53 C +ATOM 67 C LEU A 6 40.331 7.899 30.036 1.00 38.90 C +ATOM 68 O LEU A 6 40.204 7.591 31.225 1.00 37.11 O +ATOM 69 CB LEU A 6 40.601 5.889 28.582 1.00 33.53 C +ATOM 70 CG LEU A 6 41.410 5.018 27.617 1.00 36.65 C +ATOM 71 CD1 LEU A 6 40.528 3.868 27.144 1.00 34.02 C +ATOM 72 CD2 LEU A 6 41.890 5.852 26.414 1.00 36.13 C +ATOM 73 N ARG A 7 39.635 8.873 29.456 1.00 35.29 N +ATOM 74 CA ARG A 7 38.622 9.653 30.154 1.00 40.16 C +ATOM 75 C ARG A 7 37.439 9.833 29.214 1.00 43.30 C +ATOM 76 O ARG A 7 37.524 9.539 28.019 1.00 41.67 O +ATOM 77 CB ARG A 7 39.154 11.029 30.585 1.00 40.08 C +ATOM 78 CG ARG A 7 40.221 11.017 31.693 1.00 57.88 C +ATOM 79 CD ARG A 7 39.673 10.594 33.051 1.00 78.61 C +ATOM 80 NE ARG A 7 40.700 10.627 34.097 1.00 91.07 N +ATOM 81 CZ ARG A 7 41.532 9.624 34.376 1.00 95.10 C +ATOM 82 NH1 ARG A 7 41.456 8.481 33.700 1.00 95.88 N +ATOM 83 NH2 ARG A 7 42.432 9.758 35.344 1.00 91.07 N1+ +ATOM 84 N GLY A 8 36.339 10.351 29.745 1.00 45.41 N +ATOM 85 CA GLY A 8 35.200 10.652 28.900 1.00 42.28 C +ATOM 86 C GLY A 8 33.989 10.982 29.740 1.00 44.08 C +ATOM 87 O GLY A 8 34.038 10.965 30.972 1.00 42.70 O +ATOM 88 N LYS A 9 32.897 11.299 29.041 1.00 45.47 N +ATOM 89 CA LYS A 9 31.581 11.493 29.640 1.00 49.34 C +ATOM 90 C LYS A 9 30.650 10.409 29.123 1.00 43.53 C +ATOM 91 O LYS A 9 30.738 10.014 27.956 1.00 43.39 O +ATOM 92 CB LYS A 9 30.985 12.873 29.328 1.00 57.28 C +ATOM 93 CG LYS A 9 31.743 14.060 29.912 1.00 70.96 C +ATOM 94 CD LYS A 9 30.996 15.360 29.595 1.00 78.38 C +ATOM 95 CE LYS A 9 31.643 16.579 30.238 1.00 82.11 C +ATOM 96 NZ LYS A 9 30.850 17.819 29.959 1.00 81.82 N1+ +ATOM 97 N SER A 10 29.793 9.902 30.007 1.00 45.19 N +ATOM 98 CA SER A 10 28.884 8.819 29.646 1.00 54.04 C +ATOM 99 C SER A 10 28.114 9.146 28.366 1.00 44.60 C +ATOM 100 O SER A 10 27.524 10.222 28.228 1.00 40.60 O +ATOM 101 CB SER A 10 27.922 8.534 30.805 1.00 55.92 C +ATOM 102 OG SER A 10 26.953 7.574 30.429 1.00 53.77 O +ATOM 103 N GLY A 11 28.152 8.223 27.412 1.00 36.98 N +ATOM 104 CA GLY A 11 27.455 8.411 26.153 1.00 40.51 C +ATOM 105 C GLY A 11 28.162 9.307 25.158 1.00 42.75 C +ATOM 106 O GLY A 11 27.635 9.514 24.058 1.00 39.64 O +ATOM 107 N GLN A 12 29.363 9.797 25.478 1.00 34.52 N +ATOM 108 CA GLN A 12 30.089 10.689 24.585 1.00 39.98 C +ATOM 109 C GLN A 12 31.467 10.174 24.177 1.00 41.70 C +ATOM 110 O GLN A 12 32.224 10.918 23.543 1.00 47.50 O +ATOM 111 CB GLN A 12 30.209 12.074 25.240 1.00 38.59 C +ATOM 112 CG GLN A 12 28.847 12.648 25.590 1.00 45.60 C +ATOM 113 CD GLN A 12 28.895 14.112 25.958 1.00 55.67 C +ATOM 114 OE1 GLN A 12 29.926 14.625 26.385 1.00 59.19 O +ATOM 115 NE2 GLN A 12 27.770 14.793 25.797 1.00 58.77 N +ATOM 116 N GLY A 13 31.794 8.921 24.471 1.00 38.39 N +ATOM 117 CA GLY A 13 33.023 8.310 24.007 1.00 39.41 C +ATOM 118 C GLY A 13 34.182 8.434 24.987 1.00 41.38 C +ATOM 119 O GLY A 13 34.199 9.274 25.883 1.00 44.01 O +ATOM 120 N TYR A 14 35.172 7.563 24.787 1.00 37.18 N +ATOM 121 CA TYR A 14 36.405 7.546 25.562 1.00 36.64 C +ATOM 122 C TYR A 14 37.529 8.182 24.751 1.00 35.15 C +ATOM 123 O TYR A 14 37.672 7.912 23.553 1.00 35.34 O +ATOM 124 CB TYR A 14 36.798 6.107 25.914 1.00 35.30 C +ATOM 125 CG TYR A 14 35.904 5.418 26.909 1.00 34.55 C +ATOM 126 CD1 TYR A 14 34.698 4.835 26.524 1.00 36.11 C +ATOM 127 CD2 TYR A 14 36.270 5.350 28.247 1.00 37.11 C +ATOM 128 CE1 TYR A 14 33.884 4.185 27.468 1.00 37.81 C +ATOM 129 CE2 TYR A 14 35.480 4.716 29.180 1.00 38.86 C +ATOM 130 CZ TYR A 14 34.289 4.134 28.791 1.00 43.75 C +ATOM 131 OH TYR A 14 33.512 3.511 29.756 1.00 40.70 O +ATOM 132 N TYR A 15 38.352 9.001 25.408 1.00 33.34 N +ATOM 133 CA TYR A 15 39.438 9.666 24.710 1.00 34.17 C +ATOM 134 C TYR A 15 40.750 9.483 25.453 1.00 41.14 C +ATOM 135 O TYR A 15 40.783 9.263 26.668 1.00 37.19 O +ATOM 136 CB TYR A 15 39.170 11.169 24.490 1.00 37.28 C +ATOM 137 CG TYR A 15 38.882 11.970 25.744 1.00 39.74 C +ATOM 138 CD1 TYR A 15 39.917 12.430 26.558 1.00 38.48 C +ATOM 139 CD2 TYR A 15 37.580 12.290 26.098 1.00 39.82 C +ATOM 140 CE1 TYR A 15 39.661 13.176 27.703 1.00 41.06 C +ATOM 141 CE2 TYR A 15 37.308 13.032 27.246 1.00 41.47 C +ATOM 142 CZ TYR A 15 38.353 13.473 28.044 1.00 42.05 C +ATOM 143 OH TYR A 15 38.070 14.208 29.181 1.00 45.29 O +ATOM 144 N VAL A 16 41.827 9.558 24.684 1.00 42.00 N +ATOM 145 CA VAL A 16 43.191 9.493 25.176 1.00 39.36 C +ATOM 146 C VAL A 16 43.873 10.796 24.783 1.00 43.30 C +ATOM 147 O VAL A 16 43.587 11.376 23.730 1.00 38.82 O +ATOM 148 CB VAL A 16 43.935 8.271 24.587 1.00 41.62 C +ATOM 149 CG1 VAL A 16 44.108 8.423 23.057 1.00 36.09 C +ATOM 150 CG2 VAL A 16 45.275 8.046 25.296 1.00 39.91 C +ATOM 151 N GLU A 17 44.795 11.256 25.619 1.00 37.20 N +ATOM 152 CA GLU A 17 45.516 12.470 25.289 1.00 37.00 C +ATOM 153 C GLU A 17 46.632 12.134 24.307 1.00 42.35 C +ATOM 154 O GLU A 17 47.301 11.101 24.435 1.00 43.54 O +ATOM 155 CB GLU A 17 46.089 13.121 26.552 1.00 40.71 C +ATOM 156 CG GLU A 17 46.897 14.376 26.290 1.00 43.54 C +ATOM 157 CD GLU A 17 47.464 14.958 27.575 1.00 60.57 C +ATOM 158 OE1 GLU A 17 46.681 15.416 28.433 1.00 67.65 O +ATOM 159 OE2 GLU A 17 48.698 14.928 27.733 1.00 64.07 O1- +ATOM 160 N MET A 18 46.792 12.980 23.289 1.00 42.79 N +ATOM 161 CA MET A 18 47.837 12.815 22.287 1.00 43.02 C +ATOM 162 C MET A 18 48.468 14.175 22.040 1.00 47.66 C +ATOM 163 O MET A 18 47.922 15.210 22.426 1.00 45.69 O +ATOM 164 CB MET A 18 47.290 12.231 20.969 1.00 43.31 C +ATOM 165 CG MET A 18 46.594 10.876 21.115 1.00 40.29 C +ATOM 166 SD MET A 18 46.050 10.120 19.559 1.00 44.89 S +ATOM 167 CE MET A 18 47.606 9.496 18.924 1.00 45.71 C +ATOM 168 N THR A 19 49.630 14.178 21.390 1.00 49.54 N +ATOM 169 CA THR A 19 50.222 15.426 20.920 1.00 50.23 C +ATOM 170 C THR A 19 50.550 15.281 19.446 1.00 50.52 C +ATOM 171 O THR A 19 50.933 14.204 18.986 1.00 50.21 O +ATOM 172 CB THR A 19 51.496 15.839 21.675 1.00 53.43 C +ATOM 173 OG1 THR A 19 52.565 14.957 21.325 1.00 57.78 O +ATOM 174 CG2 THR A 19 51.275 15.804 23.179 1.00 52.05 C +ATOM 175 N VAL A 20 50.397 16.380 18.715 1.00 57.52 N +ATOM 176 CA VAL A 20 50.665 16.423 17.287 1.00 54.40 C +ATOM 177 C VAL A 20 51.561 17.622 17.001 1.00 57.28 C +ATOM 178 O VAL A 20 51.386 18.689 17.598 1.00 54.22 O +ATOM 179 CB VAL A 20 49.352 16.518 16.485 1.00 55.44 C +ATOM 180 CG1 VAL A 20 49.649 16.730 15.038 1.00 61.70 C +ATOM 181 CG2 VAL A 20 48.515 15.253 16.661 1.00 51.86 C +ATOM 182 N GLY A 21 52.524 17.443 16.089 1.00 58.31 N +ATOM 183 CA GLY A 21 53.326 18.545 15.590 1.00 66.41 C +ATOM 184 C GLY A 21 54.569 18.853 16.404 1.00 65.62 C +ATOM 185 O GLY A 21 54.850 18.261 17.451 1.00 62.50 O +ATOM 186 N SER A 22 55.343 19.799 15.877 1.00 65.84 N +ATOM 187 CA SER A 22 56.571 20.273 16.517 1.00 67.45 C +ATOM 188 C SER A 22 56.533 21.796 16.551 1.00 68.74 C +ATOM 189 O SER A 22 56.579 22.434 15.480 1.00 64.22 O +ATOM 190 CB SER A 22 57.813 19.786 15.774 1.00 70.08 C +ATOM 191 OG SER A 22 57.785 18.383 15.575 1.00 71.37 O +ATOM 192 N PRO A 23 56.444 22.428 17.736 1.00 68.93 N +ATOM 193 CA PRO A 23 56.359 21.824 19.073 1.00 67.02 C +ATOM 194 C PRO A 23 55.034 21.072 19.295 1.00 67.10 C +ATOM 195 O PRO A 23 54.091 21.291 18.539 1.00 62.57 O +ATOM 196 CB PRO A 23 56.484 23.042 20.000 1.00 66.89 C +ATOM 197 CG PRO A 23 55.906 24.162 19.199 1.00 69.30 C +ATOM 198 CD PRO A 23 56.403 23.900 17.804 1.00 72.53 C +ATOM 199 N PRO A 24 54.987 20.173 20.278 1.00 65.50 N +ATOM 200 CA PRO A 24 53.792 19.329 20.454 1.00 65.39 C +ATOM 201 C PRO A 24 52.550 20.126 20.841 1.00 57.40 C +ATOM 202 O PRO A 24 52.563 20.913 21.788 1.00 55.18 O +ATOM 203 CB PRO A 24 54.208 18.360 21.568 1.00 60.58 C +ATOM 204 CG PRO A 24 55.318 19.042 22.274 1.00 65.48 C +ATOM 205 CD PRO A 24 56.050 19.821 21.229 1.00 64.79 C +ATOM 206 N GLN A 25 51.464 19.889 20.106 1.00 57.29 N +ATOM 207 CA GLN A 25 50.152 20.450 20.407 1.00 58.28 C +ATOM 208 C GLN A 25 49.287 19.364 21.046 1.00 55.25 C +ATOM 209 O GLN A 25 49.076 18.305 20.445 1.00 49.50 O +ATOM 210 CB GLN A 25 49.484 20.971 19.137 1.00 58.52 C +ATOM 211 CG GLN A 25 50.142 22.210 18.519 1.00 58.45 C +ATOM 212 CD GLN A 25 49.468 22.617 17.228 1.00 59.81 C +ATOM 213 OE1 GLN A 25 48.242 22.740 17.167 1.00 57.26 O +ATOM 214 NE2 GLN A 25 50.260 22.817 16.179 1.00 57.68 N +ATOM 215 N THR A 26 48.784 19.629 22.252 1.00 52.22 N +ATOM 216 CA THR A 26 48.021 18.630 22.994 1.00 56.75 C +ATOM 217 C THR A 26 46.564 18.587 22.537 1.00 53.10 C +ATOM 218 O THR A 26 45.898 19.625 22.450 1.00 52.36 O +ATOM 219 CB THR A 26 48.089 18.932 24.491 1.00 56.71 C +ATOM 220 OG1 THR A 26 49.446 18.843 24.929 1.00 56.99 O +ATOM 221 CG2 THR A 26 47.241 17.939 25.284 1.00 57.50 C +ATOM 222 N LEU A 27 46.064 17.381 22.263 1.00 45.88 N +ATOM 223 CA LEU A 27 44.675 17.182 21.882 1.00 44.63 C +ATOM 224 C LEU A 27 44.157 15.907 22.533 1.00 45.46 C +ATOM 225 O LEU A 27 44.903 14.943 22.712 1.00 48.23 O +ATOM 226 CB LEU A 27 44.505 17.080 20.360 1.00 44.18 C +ATOM 227 CG LEU A 27 44.860 18.303 19.507 1.00 52.16 C +ATOM 228 CD1 LEU A 27 44.841 17.917 18.032 1.00 51.94 C +ATOM 229 CD2 LEU A 27 43.905 19.483 19.779 1.00 48.18 C +ATOM 230 N ASN A 28 42.873 15.915 22.888 1.00 44.23 N +ATOM 231 CA ASN A 28 42.189 14.725 23.376 1.00 41.49 C +ATOM 232 C ASN A 28 41.522 14.037 22.189 1.00 43.72 C +ATOM 233 O ASN A 28 40.768 14.675 21.449 1.00 43.66 O +ATOM 234 CB ASN A 28 41.145 15.079 24.437 1.00 36.55 C +ATOM 235 CG ASN A 28 41.762 15.446 25.793 1.00 45.51 C +ATOM 236 OD1 ASN A 28 42.871 15.033 26.123 1.00 42.08 O +ATOM 237 ND2 ASN A 28 41.022 16.205 26.588 1.00 42.28 N +ATOM 238 N ILE A 29 41.789 12.739 22.024 1.00 42.15 N +ATOM 239 CA ILE A 29 41.430 11.990 20.819 1.00 38.55 C +ATOM 240 C ILE A 29 40.549 10.805 21.201 1.00 41.86 C +ATOM 241 O ILE A 29 40.970 9.937 21.979 1.00 39.16 O +ATOM 242 CB ILE A 29 42.685 11.505 20.070 1.00 37.67 C +ATOM 243 CG1 ILE A 29 43.632 12.682 19.783 1.00 35.97 C +ATOM 244 CG2 ILE A 29 42.284 10.735 18.803 1.00 35.71 C +ATOM 245 CD1 ILE A 29 43.020 13.739 18.868 1.00 41.79 C +ATOM 246 N LEU A 30 39.343 10.750 20.632 1.00 35.02 N +ATOM 247 CA LEU A 30 38.436 9.644 20.908 1.00 34.65 C +ATOM 248 C LEU A 30 38.961 8.349 20.295 1.00 35.33 C +ATOM 249 O LEU A 30 39.423 8.328 19.155 1.00 37.06 O +ATOM 250 CB LEU A 30 37.038 9.947 20.366 1.00 38.43 C +ATOM 251 CG LEU A 30 35.981 8.856 20.543 1.00 41.52 C +ATOM 252 CD1 LEU A 30 34.590 9.472 20.742 1.00 41.27 C +ATOM 253 CD2 LEU A 30 35.966 7.908 19.345 1.00 33.61 C +ATOM 254 N VAL A 31 38.854 7.262 21.054 1.00 32.01 N +ATOM 255 CA VAL A 31 39.381 5.964 20.655 1.00 35.29 C +ATOM 256 C VAL A 31 38.261 5.191 19.970 1.00 32.40 C +ATOM 257 O VAL A 31 37.275 4.825 20.618 1.00 31.34 O +ATOM 258 CB VAL A 31 39.928 5.201 21.869 1.00 44.31 C +ATOM 259 CG1 VAL A 31 40.241 3.783 21.496 1.00 48.42 C +ATOM 260 CG2 VAL A 31 41.163 5.913 22.430 1.00 46.71 C +ATOM 261 N ASP A 32 38.424 4.916 18.665 1.00 36.70 N +ATOM 262 CA ASP A 32 37.384 4.297 17.829 1.00 34.08 C +ATOM 263 C ASP A 32 37.912 3.026 17.157 1.00 34.78 C +ATOM 264 O ASP A 32 38.590 3.105 16.126 1.00 33.70 O +ATOM 265 CB ASP A 32 36.895 5.293 16.764 1.00 33.09 C +ATOM 266 CG ASP A 32 35.754 4.726 15.918 1.00 30.42 C +ATOM 267 OD1 ASP A 32 35.014 3.882 16.451 1.00 34.35 O +ATOM 268 OD2 ASP A 32 35.601 5.118 14.739 1.00 37.32 O1- +ATOM 269 N THR A 33 37.587 1.844 17.700 1.00 27.99 N +ATOM 270 CA THR A 33 37.955 0.632 16.980 1.00 28.02 C +ATOM 271 C THR A 33 37.033 0.365 15.784 1.00 28.30 C +ATOM 272 O THR A 33 37.224 -0.638 15.094 1.00 31.85 O +ATOM 273 CB THR A 33 37.973 -0.610 17.907 1.00 29.31 C +ATOM 274 OG1 THR A 33 36.671 -0.850 18.468 1.00 31.17 O +ATOM 275 CG2 THR A 33 38.999 -0.456 19.039 1.00 31.62 C +ATOM 276 N GLY A 34 36.052 1.229 15.515 1.00 32.51 N +ATOM 277 CA GLY A 34 35.154 1.058 14.383 1.00 29.33 C +ATOM 278 C GLY A 34 35.557 1.778 13.103 1.00 35.15 C +ATOM 279 O GLY A 34 34.858 1.686 12.086 1.00 33.70 O +ATOM 280 N SER A 35 36.703 2.449 13.092 1.00 33.82 N +ATOM 281 CA SER A 35 37.170 3.137 11.890 1.00 36.96 C +ATOM 282 C SER A 35 38.695 3.121 11.889 1.00 35.26 C +ATOM 283 O SER A 35 39.325 2.617 12.822 1.00 33.40 O +ATOM 284 CB SER A 35 36.622 4.567 11.827 1.00 31.58 C +ATOM 285 OG SER A 35 37.169 5.335 12.899 1.00 31.95 O +ATOM 286 N SER A 36 39.292 3.689 10.833 1.00 34.02 N +ATOM 287 CA SER A 36 40.726 3.557 10.609 1.00 34.35 C +ATOM 288 C SER A 36 41.422 4.862 10.252 1.00 38.90 C +ATOM 289 O SER A 36 42.586 4.832 9.847 1.00 37.97 O +ATOM 290 CB SER A 36 40.991 2.532 9.504 1.00 40.15 C +ATOM 291 OG SER A 36 40.326 1.324 9.796 1.00 41.58 O +ATOM 292 N ASN A 37 40.761 5.996 10.381 1.00 37.97 N +ATOM 293 CA ASN A 37 41.396 7.275 10.106 1.00 35.53 C +ATOM 294 C ASN A 37 41.725 7.976 11.413 1.00 40.06 C +ATOM 295 O ASN A 37 40.941 7.931 12.369 1.00 38.84 O +ATOM 296 CB ASN A 37 40.497 8.183 9.264 1.00 35.66 C +ATOM 297 CG ASN A 37 40.490 7.789 7.809 1.00 37.45 C +ATOM 298 OD1 ASN A 37 39.772 6.875 7.421 1.00 41.95 O +ATOM 299 ND2 ASN A 37 41.310 8.462 6.995 1.00 39.16 N +ATOM 300 N PHE A 38 42.897 8.598 11.446 1.00 40.14 N +ATOM 301 CA PHE A 38 43.294 9.514 12.503 1.00 40.92 C +ATOM 302 C PHE A 38 42.984 10.915 11.995 1.00 40.23 C +ATOM 303 O PHE A 38 43.555 11.352 10.988 1.00 40.64 O +ATOM 304 CB PHE A 38 44.785 9.352 12.818 1.00 38.60 C +ATOM 305 CG PHE A 38 45.314 10.282 13.891 1.00 41.41 C +ATOM 306 CD1 PHE A 38 46.540 10.914 13.719 1.00 45.25 C +ATOM 307 CD2 PHE A 38 44.597 10.532 15.053 1.00 38.44 C +ATOM 308 CE1 PHE A 38 47.043 11.772 14.691 1.00 49.27 C +ATOM 309 CE2 PHE A 38 45.102 11.383 16.031 1.00 45.84 C +ATOM 310 CZ PHE A 38 46.323 12.007 15.845 1.00 46.83 C +ATOM 311 N ALA A 39 42.067 11.609 12.668 1.00 36.83 N +ATOM 312 CA ALA A 39 41.634 12.924 12.227 1.00 41.49 C +ATOM 313 C ALA A 39 41.462 13.819 13.442 1.00 43.10 C +ATOM 314 O ALA A 39 41.064 13.360 14.514 1.00 44.76 O +ATOM 315 CB ALA A 39 40.316 12.874 11.442 1.00 34.38 C +ATOM 316 N VAL A 40 41.762 15.105 13.265 1.00 40.87 N +ATOM 317 CA VAL A 40 41.673 16.073 14.352 1.00 43.10 C +ATOM 318 C VAL A 40 41.018 17.341 13.831 1.00 45.08 C +ATOM 319 O VAL A 40 41.248 17.748 12.687 1.00 49.29 O +ATOM 320 CB VAL A 40 43.060 16.391 14.948 1.00 41.62 C +ATOM 321 CG1 VAL A 40 43.683 15.152 15.527 1.00 41.56 C +ATOM 322 CG2 VAL A 40 43.969 16.967 13.880 1.00 49.25 C +ATOM 323 N GLY A 41 40.212 17.979 14.676 1.00 39.03 N +ATOM 324 CA GLY A 41 39.729 19.297 14.323 1.00 39.00 C +ATOM 325 C GLY A 41 40.908 20.198 14.005 1.00 50.67 C +ATOM 326 O GLY A 41 41.890 20.223 14.756 1.00 48.74 O +ATOM 327 N ALA A 42 40.859 20.891 12.857 1.00 51.94 N +ATOM 328 CA ALA A 42 41.945 21.772 12.442 1.00 53.37 C +ATOM 329 C ALA A 42 41.427 23.142 12.036 1.00 55.60 C +ATOM 330 O ALA A 42 42.136 23.892 11.361 1.00 58.24 O +ATOM 331 CB ALA A 42 42.750 21.164 11.291 1.00 47.04 C +ATOM 332 N ALA A 43 40.211 23.479 12.452 1.00 51.83 N +ATOM 333 CA ALA A 43 39.587 24.757 12.157 1.00 56.43 C +ATOM 334 C ALA A 43 38.557 25.006 13.238 1.00 58.18 C +ATOM 335 O ALA A 43 38.067 24.046 13.848 1.00 51.66 O +ATOM 336 CB ALA A 43 38.926 24.756 10.769 1.00 53.23 C +ATOM 337 N PRO A 44 38.218 26.265 13.512 1.00 59.99 N +ATOM 338 CA PRO A 44 37.269 26.549 14.591 1.00 56.44 C +ATOM 339 C PRO A 44 35.932 25.861 14.373 1.00 60.75 C +ATOM 340 O PRO A 44 35.498 25.615 13.244 1.00 56.72 O +ATOM 341 CB PRO A 44 37.133 28.080 14.563 1.00 61.50 C +ATOM 342 CG PRO A 44 37.839 28.540 13.327 1.00 61.11 C +ATOM 343 CD PRO A 44 38.844 27.494 12.993 1.00 66.84 C +ATOM 344 N HIS A 45 35.292 25.529 15.492 1.00 59.75 N +ATOM 345 CA HIS A 45 33.994 24.887 15.537 1.00 57.09 C +ATOM 346 C HIS A 45 33.397 25.238 16.887 1.00 56.73 C +ATOM 347 O HIS A 45 34.139 25.287 17.879 1.00 54.10 O +ATOM 348 CB HIS A 45 34.125 23.365 15.356 1.00 56.91 C +ATOM 349 CG HIS A 45 32.815 22.646 15.267 1.00 50.35 C +ATOM 350 ND1 HIS A 45 32.071 22.315 16.378 1.00 48.74 N +ATOM 351 CD2 HIS A 45 32.107 22.212 14.198 1.00 52.04 C +ATOM 352 CE1 HIS A 45 30.966 21.697 15.999 1.00 49.51 C +ATOM 353 NE2 HIS A 45 30.963 21.626 14.679 1.00 50.67 N +ATOM 354 N PRO A 46 32.094 25.522 16.969 1.00 55.97 N +ATOM 355 CA PRO A 46 31.507 25.921 18.262 1.00 54.95 C +ATOM 356 C PRO A 46 31.672 24.896 19.382 1.00 58.87 C +ATOM 357 O PRO A 46 31.564 25.269 20.556 1.00 58.88 O +ATOM 358 CB PRO A 46 30.028 26.151 17.915 1.00 58.95 C +ATOM 359 CG PRO A 46 29.815 25.371 16.642 1.00 64.19 C +ATOM 360 CD PRO A 46 31.093 25.519 15.890 1.00 59.99 C +ATOM 361 N PHE A 47 31.921 23.626 19.072 1.00 57.63 N +ATOM 362 CA PHE A 47 32.078 22.614 20.110 1.00 53.50 C +ATOM 363 C PHE A 47 33.538 22.307 20.419 1.00 52.95 C +ATOM 364 O PHE A 47 33.810 21.517 21.331 1.00 50.63 O +ATOM 365 CB PHE A 47 31.365 21.313 19.712 1.00 52.48 C +ATOM 366 CG PHE A 47 29.874 21.451 19.526 1.00 52.09 C +ATOM 367 CD1 PHE A 47 29.153 20.438 18.910 1.00 53.05 C +ATOM 368 CD2 PHE A 47 29.196 22.578 19.961 1.00 51.43 C +ATOM 369 CE1 PHE A 47 27.785 20.544 18.728 1.00 53.28 C +ATOM 370 CE2 PHE A 47 27.831 22.694 19.784 1.00 54.33 C +ATOM 371 CZ PHE A 47 27.122 21.675 19.166 1.00 54.08 C +ATOM 372 N LEU A 48 34.480 22.895 19.681 1.00 57.30 N +ATOM 373 CA LEU A 48 35.900 22.636 19.892 1.00 59.75 C +ATOM 374 C LEU A 48 36.494 23.705 20.800 1.00 65.57 C +ATOM 375 O LEU A 48 36.355 24.902 20.534 1.00 63.53 O +ATOM 376 CB LEU A 48 36.661 22.601 18.561 1.00 49.58 C +ATOM 377 CG LEU A 48 36.431 21.412 17.619 1.00 45.88 C +ATOM 378 CD1 LEU A 48 37.225 21.610 16.342 1.00 44.78 C +ATOM 379 CD2 LEU A 48 36.808 20.082 18.298 1.00 49.46 C +ATOM 380 N HIS A 49 37.159 23.266 21.867 1.00 69.30 N +ATOM 381 CA HIS A 49 37.872 24.176 22.751 1.00 78.41 C +ATOM 382 C HIS A 49 39.279 24.482 22.257 1.00 74.10 C +ATOM 383 O HIS A 49 39.896 25.441 22.734 1.00 75.02 O +ATOM 384 CB HIS A 49 37.913 23.604 24.172 1.00 89.52 C +ATOM 385 CG HIS A 49 36.572 23.569 24.842 1.00100.22 C +ATOM 386 ND1 HIS A 49 36.313 22.803 25.959 1.00101.38 N +ATOM 387 CD2 HIS A 49 35.420 24.228 24.564 1.00102.08 C +ATOM 388 CE1 HIS A 49 35.057 22.984 26.332 1.00101.00 C +ATOM 389 NE2 HIS A 49 34.494 23.844 25.503 1.00101.31 N +ATOM 390 N ARG A 50 39.787 23.698 21.313 1.00 63.88 N +ATOM 391 CA ARG A 50 41.109 23.884 20.737 1.00 53.83 C +ATOM 392 C ARG A 50 41.169 23.007 19.499 1.00 52.68 C +ATOM 393 O ARG A 50 40.353 22.095 19.333 1.00 54.14 O +ATOM 394 CB ARG A 50 42.222 23.505 21.714 1.00 52.19 C +ATOM 395 CG ARG A 50 42.100 22.098 22.211 1.00 52.66 C +ATOM 396 CD ARG A 50 43.182 21.729 23.209 1.00 52.76 C +ATOM 397 NE ARG A 50 42.889 20.424 23.800 1.00 54.76 N +ATOM 398 CZ ARG A 50 43.642 19.830 24.718 1.00 60.19 C +ATOM 399 NH1 ARG A 50 44.745 20.430 25.160 1.00 57.07 N +ATOM 400 NH2 ARG A 50 43.288 18.642 25.200 1.00 48.50 N1+ +ATOM 401 N TYR A 51 42.147 23.273 18.643 1.00 50.95 N +ATOM 402 CA TYR A 51 42.263 22.495 17.420 1.00 52.35 C +ATOM 403 C TYR A 51 43.705 22.512 16.935 1.00 51.11 C +ATOM 404 O TYR A 51 44.539 23.287 17.409 1.00 54.82 O +ATOM 405 CB TYR A 51 41.288 22.997 16.344 1.00 51.70 C +ATOM 406 CG TYR A 51 41.432 24.452 15.929 1.00 61.51 C +ATOM 407 CD1 TYR A 51 42.389 24.840 15.001 1.00 63.57 C +ATOM 408 CD2 TYR A 51 40.572 25.428 16.426 1.00 62.89 C +ATOM 409 CE1 TYR A 51 42.509 26.166 14.601 1.00 70.92 C +ATOM 410 CE2 TYR A 51 40.685 26.762 16.029 1.00 60.20 C +ATOM 411 CZ TYR A 51 41.657 27.118 15.117 1.00 64.20 C +ATOM 412 OH TYR A 51 41.785 28.425 14.711 1.00 72.30 O +ATOM 413 N TYR A 52 43.981 21.622 15.988 1.00 45.35 N +ATOM 414 CA TYR A 52 45.320 21.449 15.425 1.00 45.57 C +ATOM 415 C TYR A 52 45.663 22.618 14.505 1.00 49.75 C +ATOM 416 O TYR A 52 44.928 22.896 13.555 1.00 51.19 O +ATOM 417 CB TYR A 52 45.356 20.133 14.658 1.00 48.31 C +ATOM 418 CG TYR A 52 46.611 19.793 13.880 1.00 49.53 C +ATOM 419 CD1 TYR A 52 47.879 20.058 14.387 1.00 50.37 C +ATOM 420 CD2 TYR A 52 46.517 19.115 12.669 1.00 51.31 C +ATOM 421 CE1 TYR A 52 49.015 19.708 13.671 1.00 53.36 C +ATOM 422 CE2 TYR A 52 47.635 18.749 11.966 1.00 53.00 C +ATOM 423 CZ TYR A 52 48.879 19.046 12.465 1.00 53.82 C +ATOM 424 OH TYR A 52 49.981 18.677 11.741 1.00 59.93 O +ATOM 425 N GLN A 53 46.778 23.288 14.773 1.00 53.20 N +ATOM 426 CA GLN A 53 47.215 24.444 13.985 1.00 57.12 C +ATOM 427 C GLN A 53 48.427 24.033 13.157 1.00 54.80 C +ATOM 428 O GLN A 53 49.559 24.035 13.648 1.00 52.33 O +ATOM 429 CB GLN A 53 47.516 25.628 14.888 1.00 61.27 C +ATOM 430 CG GLN A 53 46.270 26.176 15.544 1.00 65.50 C +ATOM 431 CD GLN A 53 46.579 27.264 16.527 1.00 68.35 C +ATOM 432 OE1 GLN A 53 47.096 27.000 17.612 1.00 69.51 O +ATOM 433 NE2 GLN A 53 46.275 28.500 16.156 1.00 67.40 N +ATOM 434 N ARG A 54 48.174 23.657 11.902 1.00 58.65 N +ATOM 435 CA ARG A 54 49.233 23.134 11.047 1.00 59.38 C +ATOM 436 C ARG A 54 50.354 24.148 10.849 1.00 69.11 C +ATOM 437 O ARG A 54 51.523 23.764 10.726 1.00 67.21 O +ATOM 438 CB ARG A 54 48.636 22.707 9.707 1.00 59.14 C +ATOM 439 CG ARG A 54 47.836 21.400 9.791 1.00 56.07 C +ATOM 440 CD ARG A 54 46.900 21.259 8.603 1.00 56.91 C +ATOM 441 NE ARG A 54 45.777 22.188 8.705 1.00 56.48 N +ATOM 442 CZ ARG A 54 44.915 22.429 7.724 1.00 60.50 C +ATOM 443 NH1 ARG A 54 45.050 21.816 6.557 1.00 54.05 N +ATOM 444 NH2 ARG A 54 43.917 23.285 7.906 1.00 63.95 N1+ +ATOM 445 N GLN A 55 50.019 25.442 10.804 1.00 75.57 N +ATOM 446 CA GLN A 55 51.022 26.471 10.546 1.00 79.56 C +ATOM 447 C GLN A 55 52.041 26.586 11.676 1.00 76.53 C +ATOM 448 O GLN A 55 53.163 27.035 11.431 1.00 73.82 O +ATOM 449 CB GLN A 55 50.346 27.828 10.307 1.00 81.12 C +ATOM 450 CG GLN A 55 49.612 28.452 11.506 1.00 93.01 C +ATOM 451 CD GLN A 55 48.248 27.834 11.817 1.00101.68 C +ATOM 452 OE1 GLN A 55 47.760 26.961 11.098 1.00100.46 O +ATOM 453 NE2 GLN A 55 47.623 28.307 12.894 1.00103.37 N +ATOM 454 N LEU A 56 51.688 26.178 12.898 1.00 68.39 N +ATOM 455 CA LEU A 56 52.596 26.252 14.036 1.00 60.58 C +ATOM 456 C LEU A 56 53.485 25.028 14.184 1.00 61.06 C +ATOM 457 O LEU A 56 54.310 24.996 15.098 1.00 66.03 O +ATOM 458 CB LEU A 56 51.811 26.452 15.333 1.00 65.08 C +ATOM 459 CG LEU A 56 50.900 27.670 15.412 1.00 62.22 C +ATOM 460 CD1 LEU A 56 50.297 27.763 16.807 1.00 60.90 C +ATOM 461 CD2 LEU A 56 51.696 28.920 15.079 1.00 67.30 C +ATOM 462 N SER A 57 53.343 24.023 13.333 1.00 62.32 N +ATOM 463 CA SER A 57 54.153 22.818 13.426 1.00 57.25 C +ATOM 464 C SER A 57 55.195 22.840 12.322 1.00 63.36 C +ATOM 465 O SER A 57 54.844 22.902 11.139 1.00 63.61 O +ATOM 466 CB SER A 57 53.302 21.556 13.311 1.00 50.11 C +ATOM 467 OG SER A 57 54.138 20.424 13.111 1.00 53.42 O +ATOM 468 N SER A 58 56.470 22.761 12.706 1.00 67.88 N +ATOM 469 CA SER A 58 57.535 22.775 11.712 1.00 70.59 C +ATOM 470 C SER A 58 57.693 21.429 11.021 1.00 71.79 C +ATOM 471 O SER A 58 58.292 21.367 9.943 1.00 67.31 O +ATOM 472 CB SER A 58 58.863 23.197 12.349 1.00 70.36 C +ATOM 473 OG SER A 58 59.286 22.291 13.347 1.00 65.80 O +ATOM 474 N THR A 59 57.152 20.359 11.601 1.00 66.15 N +ATOM 475 CA THR A 59 57.239 19.040 10.997 1.00 64.03 C +ATOM 476 C THR A 59 56.006 18.682 10.178 1.00 64.07 C +ATOM 477 O THR A 59 55.942 17.575 9.637 1.00 66.92 O +ATOM 478 CB THR A 59 57.478 17.972 12.073 1.00 62.10 C +ATOM 479 OG1 THR A 59 56.649 18.237 13.211 1.00 62.79 O +ATOM 480 CG2 THR A 59 58.943 17.975 12.504 1.00 62.06 C +ATOM 481 N TYR A 60 55.036 19.589 10.065 1.00 58.72 N +ATOM 482 CA TYR A 60 53.859 19.315 9.251 1.00 64.57 C +ATOM 483 C TYR A 60 54.244 19.195 7.781 1.00 70.94 C +ATOM 484 O TYR A 60 55.075 19.955 7.274 1.00 73.72 O +ATOM 485 CB TYR A 60 52.817 20.419 9.420 1.00 64.38 C +ATOM 486 CG TYR A 60 51.649 20.283 8.472 1.00 70.58 C +ATOM 487 CD1 TYR A 60 50.690 19.295 8.671 1.00 71.70 C +ATOM 488 CD2 TYR A 60 51.509 21.119 7.369 1.00 72.84 C +ATOM 489 CE1 TYR A 60 49.620 19.151 7.815 1.00 72.04 C +ATOM 490 CE2 TYR A 60 50.434 20.981 6.505 1.00 75.38 C +ATOM 491 CZ TYR A 60 49.497 19.996 6.735 1.00 78.60 C +ATOM 492 OH TYR A 60 48.429 19.847 5.884 1.00 89.49 O +ATOM 493 N ARG A 61 53.621 18.242 7.091 1.00 67.18 N +ATOM 494 CA ARG A 61 53.846 18.037 5.664 1.00 66.68 C +ATOM 495 C ARG A 61 52.495 17.852 4.989 1.00 68.60 C +ATOM 496 O ARG A 61 51.770 16.902 5.300 1.00 68.76 O +ATOM 497 CB ARG A 61 54.749 16.822 5.407 1.00 67.41 C +ATOM 498 CG ARG A 61 56.163 16.962 5.948 1.00 72.55 C +ATOM 499 CD ARG A 61 56.987 15.707 5.702 1.00 77.61 C +ATOM 500 NE ARG A 61 58.278 15.759 6.385 1.00 83.31 N +ATOM 501 CZ ARG A 61 59.098 14.720 6.520 1.00 88.81 C +ATOM 502 NH1 ARG A 61 58.760 13.538 6.026 1.00 86.67 N +ATOM 503 NH2 ARG A 61 60.258 14.863 7.152 1.00 94.80 N1+ +ATOM 504 N ASP A 62 52.167 18.740 4.059 1.00 63.95 N +ATOM 505 CA ASP A 62 50.911 18.627 3.333 1.00 69.27 C +ATOM 506 C ASP A 62 50.990 17.500 2.308 1.00 68.97 C +ATOM 507 O ASP A 62 51.982 17.355 1.588 1.00 70.18 O +ATOM 508 CB ASP A 62 50.580 19.953 2.646 1.00 74.28 C +ATOM 509 CG ASP A 62 49.114 20.067 2.247 1.00 76.67 C +ATOM 510 OD1 ASP A 62 48.472 19.037 1.954 1.00 73.97 O +ATOM 511 OD2 ASP A 62 48.602 21.205 2.231 1.00 78.40 O1- +ATOM 512 N LEU A 63 49.934 16.688 2.254 1.00 60.98 N +ATOM 513 CA LEU A 63 49.804 15.640 1.253 1.00 61.35 C +ATOM 514 C LEU A 63 49.009 16.099 0.040 1.00 59.53 C +ATOM 515 O LEU A 63 48.852 15.330 -0.916 1.00 65.41 O +ATOM 516 CB LEU A 63 49.154 14.397 1.869 1.00 61.75 C +ATOM 517 CG LEU A 63 50.056 13.555 2.777 1.00 58.86 C +ATOM 518 CD1 LEU A 63 49.276 12.440 3.470 1.00 61.40 C +ATOM 519 CD2 LEU A 63 51.231 12.984 1.992 1.00 63.73 C +ATOM 520 N ARG A 64 48.497 17.330 0.068 1.00 57.65 N +ATOM 521 CA ARG A 64 47.789 17.940 -1.057 1.00 69.47 C +ATOM 522 C ARG A 64 46.721 17.003 -1.617 1.00 65.76 C +ATOM 523 O ARG A 64 46.573 16.824 -2.828 1.00 65.67 O +ATOM 524 CB ARG A 64 48.789 18.386 -2.126 1.00 73.05 C +ATOM 525 CG ARG A 64 49.635 19.562 -1.660 1.00 83.73 C +ATOM 526 CD ARG A 64 50.478 20.166 -2.773 1.00102.51 C +ATOM 527 NE ARG A 64 51.382 19.177 -3.355 1.00112.91 N +ATOM 528 CZ ARG A 64 52.209 19.415 -4.369 1.00120.38 C +ATOM 529 NH1 ARG A 64 52.255 20.617 -4.929 1.00118.44 N +ATOM 530 NH2 ARG A 64 52.993 18.447 -4.823 1.00124.48 N1+ +ATOM 531 N LYS A 65 45.949 16.417 -0.707 1.00 56.69 N +ATOM 532 CA LYS A 65 44.870 15.514 -1.079 1.00 57.31 C +ATOM 533 C LYS A 65 43.777 15.661 -0.031 1.00 54.99 C +ATOM 534 O LYS A 65 44.065 15.626 1.171 1.00 54.67 O +ATOM 535 CB LYS A 65 45.376 14.066 -1.157 1.00 67.82 C +ATOM 536 CG LYS A 65 44.463 13.093 -1.883 1.00 74.14 C +ATOM 537 CD LYS A 65 45.086 11.700 -1.928 1.00 80.97 C +ATOM 538 CE LYS A 65 46.419 11.679 -2.683 1.00 86.37 C +ATOM 539 NZ LYS A 65 46.307 11.943 -4.147 1.00 92.06 N1+ +ATOM 540 N GLY A 66 42.529 15.831 -0.481 1.00 59.08 N +ATOM 541 CA GLY A 66 41.418 15.958 0.440 1.00 51.53 C +ATOM 542 C GLY A 66 40.915 14.607 0.907 1.00 50.32 C +ATOM 543 O GLY A 66 41.282 13.564 0.373 1.00 58.64 O +ATOM 544 N VAL A 67 40.064 14.623 1.936 1.00 49.67 N +ATOM 545 CA VAL A 67 39.516 13.382 2.474 1.00 48.60 C +ATOM 546 C VAL A 67 38.172 13.661 3.134 1.00 50.52 C +ATOM 547 O VAL A 67 37.927 14.747 3.664 1.00 51.70 O +ATOM 548 CB VAL A 67 40.503 12.708 3.462 1.00 47.63 C +ATOM 549 CG1 VAL A 67 40.826 13.643 4.609 1.00 50.01 C +ATOM 550 CG2 VAL A 67 39.952 11.367 3.979 1.00 44.85 C +ATOM 551 N TYR A 68 37.291 12.662 3.067 1.00 48.44 N +ATOM 552 CA TYR A 68 35.959 12.652 3.653 1.00 51.19 C +ATOM 553 C TYR A 68 35.711 11.297 4.321 1.00 45.88 C +ATOM 554 O TYR A 68 36.057 10.262 3.753 1.00 47.10 O +ATOM 555 CB TYR A 68 34.919 12.915 2.551 1.00 52.98 C +ATOM 556 CG TYR A 68 33.514 12.537 2.921 1.00 55.83 C +ATOM 557 CD1 TYR A 68 32.751 13.353 3.744 1.00 66.52 C +ATOM 558 CD2 TYR A 68 32.949 11.357 2.450 1.00 57.02 C +ATOM 559 CE1 TYR A 68 31.459 13.011 4.092 1.00 75.80 C +ATOM 560 CE2 TYR A 68 31.659 10.999 2.798 1.00 72.57 C +ATOM 561 CZ TYR A 68 30.917 11.832 3.621 1.00 78.31 C +ATOM 562 OH TYR A 68 29.628 11.502 3.971 1.00 78.57 O +ATOM 563 N VAL A 69 35.132 11.278 5.525 1.00 44.83 N +ATOM 564 CA VAL A 69 34.784 10.031 6.196 1.00 40.19 C +ATOM 565 C VAL A 69 33.347 10.091 6.691 1.00 39.94 C +ATOM 566 O VAL A 69 33.024 10.918 7.554 1.00 35.34 O +ATOM 567 CB VAL A 69 35.720 9.670 7.363 1.00 40.64 C +ATOM 568 CG1 VAL A 69 35.183 8.416 8.071 1.00 41.88 C +ATOM 569 CG2 VAL A 69 37.137 9.415 6.855 1.00 39.64 C +ATOM 570 N PRO A 70 32.439 9.231 6.184 1.00 40.55 N +ATOM 571 CA PRO A 70 31.096 9.173 6.754 1.00 44.40 C +ATOM 572 C PRO A 70 31.046 8.026 7.746 1.00 44.97 C +ATOM 573 O PRO A 70 31.587 6.951 7.469 1.00 52.49 O +ATOM 574 CB PRO A 70 30.210 8.932 5.521 1.00 42.20 C +ATOM 575 CG PRO A 70 31.076 7.994 4.663 1.00 44.13 C +ATOM 576 CD PRO A 70 32.541 8.419 4.952 1.00 44.09 C +ATOM 577 N TYR A 71 30.434 8.238 8.904 1.00 41.67 N +ATOM 578 CA TYR A 71 30.242 7.187 9.889 1.00 36.66 C +ATOM 579 C TYR A 71 28.762 6.860 9.938 1.00 42.47 C +ATOM 580 O TYR A 71 27.948 7.517 9.283 1.00 38.03 O +ATOM 581 CB TYR A 71 30.734 7.607 11.285 1.00 38.01 C +ATOM 582 CG TYR A 71 32.172 8.049 11.324 1.00 38.67 C +ATOM 583 CD1 TYR A 71 33.196 7.152 11.605 1.00 37.67 C +ATOM 584 CD2 TYR A 71 32.503 9.375 11.089 1.00 37.24 C +ATOM 585 CE1 TYR A 71 34.518 7.569 11.651 1.00 35.21 C +ATOM 586 CE2 TYR A 71 33.812 9.801 11.115 1.00 36.78 C +ATOM 587 CZ TYR A 71 34.814 8.906 11.397 1.00 35.87 C +ATOM 588 OH TYR A 71 36.107 9.358 11.417 1.00 37.52 O +ATOM 589 N THR A 72 28.410 5.853 10.739 1.00 36.65 N +ATOM 590 CA THR A 72 26.996 5.571 10.961 1.00 40.04 C +ATOM 591 C THR A 72 26.277 6.834 11.410 1.00 42.88 C +ATOM 592 O THR A 72 25.203 7.163 10.897 1.00 46.30 O +ATOM 593 CB THR A 72 26.833 4.461 12.004 1.00 42.98 C +ATOM 594 OG1 THR A 72 27.413 3.249 11.507 1.00 42.20 O +ATOM 595 CG2 THR A 72 25.359 4.210 12.295 1.00 42.69 C +ATOM 596 N GLN A 73 26.899 7.598 12.302 1.00 37.56 N +ATOM 597 CA GLN A 73 26.410 8.909 12.705 1.00 40.68 C +ATOM 598 C GLN A 73 27.559 9.903 12.647 1.00 42.46 C +ATOM 599 O GLN A 73 28.583 9.712 13.312 1.00 41.59 O +ATOM 600 CB GLN A 73 25.819 8.875 14.114 1.00 43.64 C +ATOM 601 CG GLN A 73 25.341 10.227 14.598 1.00 51.63 C +ATOM 602 CD GLN A 73 24.851 10.187 16.032 1.00 52.11 C +ATOM 603 OE1 GLN A 73 25.640 10.125 16.975 1.00 50.79 O +ATOM 604 NE2 GLN A 73 23.540 10.234 16.202 1.00 56.43 N +ATOM 605 N GLY A 74 27.387 10.957 11.864 1.00 43.34 N +ATOM 606 CA GLY A 74 28.386 11.992 11.749 1.00 43.06 C +ATOM 607 C GLY A 74 29.293 11.794 10.544 1.00 42.28 C +ATOM 608 O GLY A 74 29.418 10.697 9.985 1.00 40.26 O +ATOM 609 N LYS A 75 29.925 12.891 10.138 1.00 37.86 N +ATOM 610 CA LYS A 75 30.853 12.896 9.022 1.00 39.16 C +ATOM 611 C LYS A 75 31.683 14.162 9.106 1.00 41.69 C +ATOM 612 O LYS A 75 31.286 15.150 9.726 1.00 41.45 O +ATOM 613 CB LYS A 75 30.121 12.807 7.672 1.00 42.04 C +ATOM 614 CG LYS A 75 28.992 13.791 7.540 1.00 50.74 C +ATOM 615 CD LYS A 75 28.285 13.610 6.211 1.00 63.44 C +ATOM 616 CE LYS A 75 26.883 14.185 6.248 1.00 72.44 C +ATOM 617 NZ LYS A 75 26.212 13.989 4.939 1.00 77.30 N1+ +ATOM 618 N TRP A 76 32.847 14.115 8.469 1.00 36.11 N +ATOM 619 CA TRP A 76 33.703 15.282 8.385 1.00 42.14 C +ATOM 620 C TRP A 76 34.480 15.205 7.085 1.00 43.58 C +ATOM 621 O TRP A 76 34.608 14.143 6.471 1.00 44.00 O +ATOM 622 CB TRP A 76 34.667 15.388 9.590 1.00 38.75 C +ATOM 623 CG TRP A 76 35.483 14.126 9.865 1.00 44.42 C +ATOM 624 CD1 TRP A 76 35.272 13.215 10.861 1.00 40.28 C +ATOM 625 CD2 TRP A 76 36.624 13.654 9.132 1.00 43.39 C +ATOM 626 NE1 TRP A 76 36.202 12.214 10.795 1.00 36.30 N +ATOM 627 CE2 TRP A 76 37.046 12.461 9.742 1.00 42.75 C +ATOM 628 CE3 TRP A 76 37.324 14.125 8.015 1.00 42.25 C +ATOM 629 CZ2 TRP A 76 38.124 11.724 9.269 1.00 42.98 C +ATOM 630 CZ3 TRP A 76 38.402 13.407 7.564 1.00 45.14 C +ATOM 631 CH2 TRP A 76 38.792 12.212 8.188 1.00 45.03 C +ATOM 632 N GLU A 77 34.994 16.352 6.672 1.00 43.05 N +ATOM 633 CA GLU A 77 35.890 16.431 5.541 1.00 42.69 C +ATOM 634 C GLU A 77 37.092 17.260 5.955 1.00 49.84 C +ATOM 635 O GLU A 77 37.009 18.100 6.857 1.00 45.40 O +ATOM 636 CB GLU A 77 35.193 17.040 4.306 1.00 40.75 C +ATOM 637 CG GLU A 77 34.851 18.501 4.480 1.00 42.03 C +ATOM 638 CD GLU A 77 34.114 19.048 3.263 1.00 47.69 C +ATOM 639 OE1 GLU A 77 34.129 20.280 3.052 1.00 52.42 O +ATOM 640 OE2 GLU A 77 33.510 18.228 2.542 1.00 47.44 O1- +ATOM 641 N GLY A 78 38.211 17.015 5.298 1.00 52.45 N +ATOM 642 CA GLY A 78 39.411 17.719 5.680 1.00 55.33 C +ATOM 643 C GLY A 78 40.512 17.528 4.668 1.00 51.64 C +ATOM 644 O GLY A 78 40.285 17.056 3.552 1.00 49.48 O +ATOM 645 N GLU A 79 41.707 17.932 5.076 1.00 48.33 N +ATOM 646 CA GLU A 79 42.898 17.889 4.245 1.00 51.52 C +ATOM 647 C GLU A 79 43.890 16.903 4.845 1.00 54.14 C +ATOM 648 O GLU A 79 44.087 16.877 6.066 1.00 51.87 O +ATOM 649 CB GLU A 79 43.521 19.286 4.121 1.00 58.42 C +ATOM 650 CG GLU A 79 44.795 19.347 3.283 1.00 66.88 C +ATOM 651 CD GLU A 79 44.579 18.950 1.826 1.00 77.07 C +ATOM 652 OE1 GLU A 79 43.426 18.992 1.344 1.00 75.26 O +ATOM 653 OE2 GLU A 79 45.575 18.593 1.161 1.00 81.27 O1- +ATOM 654 N LEU A 80 44.465 16.056 3.998 1.00 53.32 N +ATOM 655 CA LEU A 80 45.430 15.075 4.469 1.00 54.84 C +ATOM 656 C LEU A 80 46.817 15.690 4.594 1.00 54.86 C +ATOM 657 O LEU A 80 47.171 16.644 3.892 1.00 54.95 O +ATOM 658 CB LEU A 80 45.474 13.861 3.541 1.00 49.10 C +ATOM 659 CG LEU A 80 44.268 12.929 3.598 1.00 55.44 C +ATOM 660 CD1 LEU A 80 44.340 11.884 2.501 1.00 52.79 C +ATOM 661 CD2 LEU A 80 44.205 12.263 4.967 1.00 59.01 C +ATOM 662 N GLY A 81 47.599 15.133 5.513 1.00 55.62 N +ATOM 663 CA GLY A 81 48.979 15.527 5.728 1.00 56.53 C +ATOM 664 C GLY A 81 49.616 14.546 6.690 1.00 57.09 C +ATOM 665 O GLY A 81 48.985 13.586 7.136 1.00 53.00 O +ATOM 666 N THR A 82 50.886 14.787 7.005 1.00 58.66 N +ATOM 667 CA THR A 82 51.584 13.979 7.996 1.00 57.47 C +ATOM 668 C THR A 82 52.237 14.897 9.016 1.00 60.11 C +ATOM 669 O THR A 82 52.495 16.075 8.752 1.00 59.76 O +ATOM 670 CB THR A 82 52.652 13.055 7.371 1.00 57.43 C +ATOM 671 OG1 THR A 82 53.746 13.837 6.875 1.00 58.95 O +ATOM 672 CG2 THR A 82 52.071 12.223 6.230 1.00 56.87 C +ATOM 673 N ASP A 83 52.512 14.337 10.190 1.00 54.80 N +ATOM 674 CA ASP A 83 53.167 15.078 11.258 1.00 57.18 C +ATOM 675 C ASP A 83 53.623 14.073 12.307 1.00 58.24 C +ATOM 676 O ASP A 83 53.301 12.884 12.235 1.00 53.81 O +ATOM 677 CB ASP A 83 52.245 16.135 11.867 1.00 52.33 C +ATOM 678 CG ASP A 83 53.014 17.331 12.408 1.00 59.76 C +ATOM 679 OD1 ASP A 83 54.218 17.170 12.725 1.00 49.67 O +ATOM 680 OD2 ASP A 83 52.418 18.428 12.519 1.00 58.90 O1- +ATOM 681 N LEU A 84 54.393 14.570 13.277 1.00 55.21 N +ATOM 682 CA LEU A 84 54.880 13.747 14.375 1.00 52.98 C +ATOM 683 C LEU A 84 53.813 13.635 15.458 1.00 53.65 C +ATOM 684 O LEU A 84 53.188 14.631 15.840 1.00 51.89 O +ATOM 685 CB LEU A 84 56.170 14.332 14.948 1.00 51.63 C +ATOM 686 CG LEU A 84 57.355 14.403 13.984 1.00 58.92 C +ATOM 687 CD1 LEU A 84 58.619 14.833 14.704 1.00 62.82 C +ATOM 688 CD2 LEU A 84 57.563 13.047 13.338 1.00 59.72 C +ATOM 689 N VAL A 85 53.591 12.417 15.937 1.00 51.93 N +ATOM 690 CA VAL A 85 52.528 12.128 16.888 1.00 51.75 C +ATOM 691 C VAL A 85 53.110 11.326 18.044 1.00 48.95 C +ATOM 692 O VAL A 85 53.932 10.426 17.841 1.00 55.12 O +ATOM 693 CB VAL A 85 51.372 11.352 16.217 1.00 47.70 C +ATOM 694 CG1 VAL A 85 50.248 11.080 17.217 1.00 41.81 C +ATOM 695 CG2 VAL A 85 50.848 12.104 15.002 1.00 48.34 C +ATOM 696 N SER A 86 52.668 11.638 19.257 1.00 47.67 N +ATOM 697 CA SER A 86 53.044 10.860 20.426 1.00 48.53 C +ATOM 698 C SER A 86 51.840 10.754 21.351 1.00 47.78 C +ATOM 699 O SER A 86 50.838 11.457 21.189 1.00 49.76 O +ATOM 700 CB SER A 86 54.253 11.463 21.153 1.00 58.21 C +ATOM 701 OG SER A 86 53.847 12.468 22.060 1.00 68.41 O +ATOM 702 N ILE A 87 51.936 9.827 22.293 1.00 45.45 N +ATOM 703 CA ILE A 87 50.899 9.558 23.278 1.00 45.98 C +ATOM 704 C ILE A 87 51.517 9.716 24.663 1.00 48.98 C +ATOM 705 O ILE A 87 52.218 8.825 25.145 1.00 49.52 O +ATOM 706 CB ILE A 87 50.298 8.152 23.091 1.00 42.42 C +ATOM 707 CG1 ILE A 87 49.668 8.019 21.702 1.00 50.29 C +ATOM 708 CG2 ILE A 87 49.281 7.829 24.197 1.00 44.34 C +ATOM 709 CD1 ILE A 87 49.160 6.608 21.389 1.00 49.20 C +ATOM 710 N PRO A 88 51.307 10.864 25.320 1.00 48.94 N +ATOM 711 CA PRO A 88 51.956 11.100 26.626 1.00 50.37 C +ATOM 712 C PRO A 88 51.867 9.930 27.593 1.00 52.52 C +ATOM 713 O PRO A 88 52.893 9.510 28.141 1.00 50.62 O +ATOM 714 CB PRO A 88 51.220 12.343 27.132 1.00 51.14 C +ATOM 715 CG PRO A 88 50.944 13.105 25.864 1.00 57.48 C +ATOM 716 CD PRO A 88 50.533 12.038 24.872 1.00 49.64 C +ATOM 717 N HIS A 89 50.676 9.384 27.816 1.00 39.80 N +ATOM 718 CA HIS A 89 50.527 8.214 28.676 1.00 42.26 C +ATOM 719 C HIS A 89 50.407 6.938 27.852 1.00 46.30 C +ATOM 720 O HIS A 89 49.471 6.156 27.987 1.00 47.27 O +ATOM 721 CB HIS A 89 49.351 8.416 29.614 1.00 44.75 C +ATOM 722 CG HIS A 89 49.474 9.663 30.431 1.00 49.06 C +ATOM 723 ND1 HIS A 89 48.806 10.829 30.122 1.00 54.21 N +ATOM 724 CD2 HIS A 89 50.237 9.942 31.514 1.00 47.81 C +ATOM 725 CE1 HIS A 89 49.133 11.765 30.997 1.00 54.64 C +ATOM 726 NE2 HIS A 89 49.997 11.249 31.854 1.00 56.62 N +ATOM 727 N GLY A 90 51.368 6.768 26.947 1.00 54.07 N +ATOM 728 CA GLY A 90 51.497 5.588 26.126 1.00 54.03 C +ATOM 729 C GLY A 90 52.966 5.237 25.996 1.00 54.76 C +ATOM 730 O GLY A 90 53.797 5.679 26.795 1.00 51.07 O +ATOM 731 N PRO A 91 53.332 4.472 24.970 1.00 56.57 N +ATOM 732 CA PRO A 91 54.749 4.144 24.780 1.00 55.02 C +ATOM 733 C PRO A 91 55.587 5.390 24.534 1.00 59.02 C +ATOM 734 O PRO A 91 55.129 6.372 23.945 1.00 58.57 O +ATOM 735 CB PRO A 91 54.735 3.223 23.558 1.00 55.78 C +ATOM 736 CG PRO A 91 53.515 3.643 22.813 1.00 51.46 C +ATOM 737 CD PRO A 91 52.499 3.935 23.882 1.00 52.22 C +ATOM 738 N ASN A 92 56.841 5.327 24.987 1.00 57.29 N +ATOM 739 CA ASN A 92 57.776 6.450 24.910 1.00 60.70 C +ATOM 740 C ASN A 92 58.403 6.515 23.519 1.00 58.19 C +ATOM 741 O ASN A 92 59.594 6.277 23.320 1.00 59.79 O +ATOM 742 CB ASN A 92 58.843 6.319 25.989 1.00 71.84 C +ATOM 743 CG ASN A 92 58.262 6.381 27.383 1.00 85.46 C +ATOM 744 OD1 ASN A 92 57.274 7.075 27.626 1.00 87.52 O +ATOM 745 ND2 ASN A 92 58.870 5.648 28.312 1.00 94.99 N +ATOM 746 N VAL A 93 57.573 6.882 22.539 1.00 52.56 N +ATOM 747 CA VAL A 93 58.000 6.961 21.148 1.00 49.62 C +ATOM 748 C VAL A 93 57.225 8.075 20.458 1.00 59.71 C +ATOM 749 O VAL A 93 56.170 8.518 20.917 1.00 65.23 O +ATOM 750 CB VAL A 93 57.787 5.641 20.364 1.00 55.44 C +ATOM 751 CG1 VAL A 93 58.712 4.526 20.863 1.00 61.50 C +ATOM 752 CG2 VAL A 93 56.316 5.219 20.411 1.00 54.52 C +ATOM 753 N THR A 94 57.763 8.517 19.331 1.00 57.31 N +ATOM 754 CA THR A 94 57.137 9.500 18.462 1.00 59.28 C +ATOM 755 C THR A 94 57.166 8.921 17.061 1.00 57.76 C +ATOM 756 O THR A 94 58.181 8.352 16.647 1.00 59.83 O +ATOM 757 CB THR A 94 57.877 10.843 18.517 1.00 62.84 C +ATOM 758 OG1 THR A 94 57.791 11.380 19.842 1.00 72.50 O +ATOM 759 CG2 THR A 94 57.283 11.834 17.526 1.00 59.67 C +ATOM 760 N VAL A 95 56.050 9.024 16.347 1.00 55.50 N +ATOM 761 CA VAL A 95 55.972 8.474 15.000 1.00 53.60 C +ATOM 762 C VAL A 95 55.432 9.531 14.055 1.00 55.70 C +ATOM 763 O VAL A 95 54.725 10.461 14.460 1.00 59.42 O +ATOM 764 CB VAL A 95 55.101 7.198 14.941 1.00 57.46 C +ATOM 765 CG1 VAL A 95 55.684 6.118 15.839 1.00 61.77 C +ATOM 766 CG2 VAL A 95 53.669 7.511 15.340 1.00 55.66 C +ATOM 767 N ARG A 96 55.784 9.392 12.781 1.00 53.06 N +ATOM 768 CA ARG A 96 55.181 10.200 11.734 1.00 54.06 C +ATOM 769 C ARG A 96 53.979 9.432 11.213 1.00 51.47 C +ATOM 770 O ARG A 96 54.109 8.287 10.771 1.00 52.05 O +ATOM 771 CB ARG A 96 56.166 10.503 10.606 1.00 57.76 C +ATOM 772 CG ARG A 96 55.555 11.321 9.460 1.00 57.33 C +ATOM 773 CD ARG A 96 56.627 11.901 8.545 1.00 64.78 C +ATOM 774 NE ARG A 96 57.350 13.006 9.169 1.00 64.54 N +ATOM 775 CZ ARG A 96 56.912 14.262 9.216 1.00 65.01 C +ATOM 776 NH1 ARG A 96 55.754 14.592 8.652 1.00 56.38 N +ATOM 777 NH2 ARG A 96 57.645 15.196 9.812 1.00 63.76 N1+ +ATOM 778 N ALA A 97 52.810 10.042 11.301 1.00 50.53 N +ATOM 779 CA ALA A 97 51.586 9.359 10.946 1.00 46.88 C +ATOM 780 C ALA A 97 50.749 10.256 10.057 1.00 49.29 C +ATOM 781 O ALA A 97 50.870 11.484 10.074 1.00 49.37 O +ATOM 782 CB ALA A 97 50.801 8.943 12.201 1.00 41.73 C +ATOM 783 N ASN A 98 49.881 9.616 9.284 1.00 46.60 N +ATOM 784 CA ASN A 98 48.875 10.336 8.530 1.00 46.39 C +ATOM 785 C ASN A 98 47.898 11.013 9.485 1.00 49.53 C +ATOM 786 O ASN A 98 47.494 10.436 10.504 1.00 45.87 O +ATOM 787 CB ASN A 98 48.135 9.370 7.611 1.00 44.41 C +ATOM 788 CG ASN A 98 49.021 8.844 6.510 1.00 49.04 C +ATOM 789 OD1 ASN A 98 49.747 9.608 5.888 1.00 45.88 O +ATOM 790 ND2 ASN A 98 48.962 7.538 6.258 1.00 51.46 N +ATOM 791 N ILE A 99 47.528 12.250 9.158 1.00 43.97 N +ATOM 792 CA ILE A 99 46.559 13.015 9.932 1.00 43.49 C +ATOM 793 C ILE A 99 45.602 13.700 8.974 1.00 46.80 C +ATOM 794 O ILE A 99 46.033 14.373 8.030 1.00 47.63 O +ATOM 795 CB ILE A 99 47.235 14.064 10.829 1.00 55.70 C +ATOM 796 CG1 ILE A 99 48.320 13.414 11.678 1.00 56.59 C +ATOM 797 CG2 ILE A 99 46.194 14.770 11.709 1.00 56.00 C +ATOM 798 CD1 ILE A 99 49.033 14.396 12.546 1.00 62.09 C +ATOM 799 N ALA A 100 44.304 13.534 9.217 1.00 44.63 N +ATOM 800 CA ALA A 100 43.280 14.262 8.484 1.00 46.89 C +ATOM 801 C ALA A 100 42.932 15.511 9.283 1.00 47.81 C +ATOM 802 O ALA A 100 42.449 15.419 10.420 1.00 48.56 O +ATOM 803 CB ALA A 100 42.045 13.397 8.250 1.00 46.46 C +ATOM 804 N ALA A 101 43.219 16.674 8.705 1.00 48.17 N +ATOM 805 CA ALA A 101 42.947 17.963 9.334 1.00 45.24 C +ATOM 806 C ALA A 101 41.499 18.330 9.038 1.00 47.09 C +ATOM 807 O ALA A 101 41.177 18.750 7.927 1.00 48.84 O +ATOM 808 CB ALA A 101 43.923 19.015 8.817 1.00 47.16 C +ATOM 809 N ILE A 102 40.618 18.172 10.030 1.00 41.97 N +ATOM 810 CA ILE A 102 39.181 18.371 9.816 1.00 45.91 C +ATOM 811 C ILE A 102 38.879 19.855 9.634 1.00 48.47 C +ATOM 812 O ILE A 102 39.102 20.657 10.549 1.00 50.38 O +ATOM 813 CB ILE A 102 38.372 17.804 10.989 1.00 40.17 C +ATOM 814 CG1 ILE A 102 38.555 16.286 11.112 1.00 39.03 C +ATOM 815 CG2 ILE A 102 36.888 18.202 10.852 1.00 41.17 C +ATOM 816 CD1 ILE A 102 37.863 15.700 12.343 1.00 35.30 C +ATOM 817 N THR A 103 38.325 20.223 8.463 1.00 45.53 N +ATOM 818 CA THR A 103 37.938 21.603 8.177 1.00 49.97 C +ATOM 819 C THR A 103 36.431 21.837 8.178 1.00 49.41 C +ATOM 820 O THR A 103 35.997 22.983 8.328 1.00 49.44 O +ATOM 821 CB THR A 103 38.483 22.045 6.805 1.00 55.96 C +ATOM 822 OG1 THR A 103 38.047 21.121 5.796 1.00 51.76 O +ATOM 823 CG2 THR A 103 40.010 22.098 6.818 1.00 57.77 C +ATOM 824 N GLU A 104 35.631 20.795 8.003 1.00 43.85 N +ATOM 825 CA GLU A 104 34.188 20.917 8.079 1.00 43.99 C +ATOM 826 C GLU A 104 33.658 19.599 8.616 1.00 39.89 C +ATOM 827 O GLU A 104 34.240 18.539 8.363 1.00 43.94 O +ATOM 828 CB GLU A 104 33.579 21.235 6.704 1.00 52.18 C +ATOM 829 CG GLU A 104 32.476 22.275 6.734 1.00 71.50 C +ATOM 830 CD GLU A 104 32.072 22.743 5.336 1.00 77.95 C +ATOM 831 OE1 GLU A 104 31.493 21.933 4.582 1.00 77.03 O +ATOM 832 OE2 GLU A 104 32.339 23.917 4.995 1.00 79.55 O1- +ATOM 833 N SER A 105 32.547 19.662 9.347 1.00 40.40 N +ATOM 834 CA SER A 105 32.008 18.461 9.970 1.00 42.35 C +ATOM 835 C SER A 105 30.508 18.620 10.191 1.00 40.13 C +ATOM 836 O SER A 105 29.979 19.732 10.272 1.00 42.97 O +ATOM 837 CB SER A 105 32.715 18.164 11.294 1.00 44.52 C +ATOM 838 OG SER A 105 32.502 19.219 12.217 1.00 48.25 O +ATOM 839 N ASP A 106 29.831 17.487 10.313 1.00 45.21 N +ATOM 840 CA ASP A 106 28.382 17.469 10.473 1.00 48.10 C +ATOM 841 C ASP A 106 28.020 16.377 11.464 1.00 43.29 C +ATOM 842 O ASP A 106 28.264 15.194 11.198 1.00 40.68 O +ATOM 843 CB ASP A 106 27.709 17.226 9.118 1.00 47.83 C +ATOM 844 CG ASP A 106 26.192 17.344 9.178 1.00 57.24 C +ATOM 845 OD1 ASP A 106 25.535 16.912 8.205 1.00 63.48 O +ATOM 846 OD2 ASP A 106 25.654 17.907 10.152 1.00 53.53 O1- +ATOM 847 N LYS A 107 27.453 16.780 12.608 1.00 43.58 N +ATOM 848 CA LYS A 107 27.022 15.864 13.666 1.00 43.19 C +ATOM 849 C LYS A 107 28.137 14.909 14.106 1.00 45.10 C +ATOM 850 O LYS A 107 27.892 13.753 14.474 1.00 42.29 O +ATOM 851 CB LYS A 107 25.762 15.108 13.246 1.00 51.06 C +ATOM 852 CG LYS A 107 24.623 16.071 12.855 1.00 49.89 C +ATOM 853 CD LYS A 107 23.344 15.326 12.509 1.00 60.82 C +ATOM 854 CE LYS A 107 23.281 14.982 11.037 1.00 71.05 C +ATOM 855 NZ LYS A 107 23.201 16.211 10.185 1.00 75.65 N1+ +ATOM 856 N PHE A 108 29.375 15.410 14.101 1.00 41.83 N +ATOM 857 CA PHE A 108 30.547 14.635 14.513 1.00 38.46 C +ATOM 858 C PHE A 108 31.024 15.045 15.906 1.00 41.90 C +ATOM 859 O PHE A 108 30.981 14.240 16.842 1.00 38.65 O +ATOM 860 CB PHE A 108 31.674 14.794 13.479 1.00 35.16 C +ATOM 861 CG PHE A 108 32.932 14.041 13.825 1.00 39.92 C +ATOM 862 CD1 PHE A 108 32.968 12.651 13.768 1.00 33.43 C +ATOM 863 CD2 PHE A 108 34.083 14.725 14.185 1.00 37.11 C +ATOM 864 CE1 PHE A 108 34.132 11.958 14.081 1.00 33.01 C +ATOM 865 CE2 PHE A 108 35.241 14.050 14.490 1.00 37.40 C +ATOM 866 CZ PHE A 108 35.263 12.656 14.450 1.00 34.00 C +ATOM 867 N PHE A 109 31.459 16.294 16.066 1.00 38.56 N +ATOM 868 CA PHE A 109 31.846 16.775 17.384 1.00 42.34 C +ATOM 869 C PHE A 109 30.627 16.871 18.292 1.00 44.39 C +ATOM 870 O PHE A 109 29.497 17.074 17.843 1.00 41.86 O +ATOM 871 CB PHE A 109 32.551 18.129 17.284 1.00 41.59 C +ATOM 872 CG PHE A 109 33.821 18.080 16.485 1.00 41.33 C +ATOM 873 CD1 PHE A 109 33.944 18.799 15.303 1.00 41.54 C +ATOM 874 CD2 PHE A 109 34.884 17.289 16.906 1.00 38.16 C +ATOM 875 CE1 PHE A 109 35.106 18.738 14.561 1.00 45.54 C +ATOM 876 CE2 PHE A 109 36.047 17.222 16.177 1.00 42.95 C +ATOM 877 CZ PHE A 109 36.166 17.953 14.998 1.00 44.13 C +ATOM 878 N ILE A 110 30.863 16.680 19.584 1.00 43.99 N +ATOM 879 CA ILE A 110 29.801 16.653 20.583 1.00 42.07 C +ATOM 880 C ILE A 110 30.027 17.809 21.544 1.00 48.46 C +ATOM 881 O ILE A 110 31.130 17.968 22.085 1.00 54.17 O +ATOM 882 CB ILE A 110 29.764 15.310 21.333 1.00 47.18 C +ATOM 883 CG1 ILE A 110 29.486 14.166 20.349 1.00 46.39 C +ATOM 884 CG2 ILE A 110 28.733 15.341 22.486 1.00 45.32 C +ATOM 885 CD1 ILE A 110 29.588 12.774 20.970 1.00 40.69 C +ATOM 886 N ASN A 111 28.989 18.609 21.750 1.00 45.07 N +ATOM 887 CA ASN A 111 29.090 19.749 22.650 1.00 50.60 C +ATOM 888 C ASN A 111 29.494 19.283 24.047 1.00 51.90 C +ATOM 889 O ASN A 111 28.787 18.486 24.670 1.00 50.25 O +ATOM 890 CB ASN A 111 27.750 20.490 22.673 1.00 48.63 C +ATOM 891 CG ASN A 111 27.818 21.803 23.411 1.00 63.94 C +ATOM 892 OD1 ASN A 111 28.897 22.363 23.608 1.00 66.24 O +ATOM 893 ND2 ASN A 111 26.655 22.333 23.778 1.00 65.02 N +ATOM 894 N GLY A 112 30.646 19.766 24.518 1.00 55.13 N +ATOM 895 CA GLY A 112 31.149 19.477 25.849 1.00 57.06 C +ATOM 896 C GLY A 112 31.726 18.094 26.079 1.00 65.82 C +ATOM 897 O GLY A 112 31.764 17.631 27.225 1.00 67.68 O +ATOM 898 N SER A 113 32.201 17.423 25.029 1.00 56.94 N +ATOM 899 CA SER A 113 32.761 16.086 25.189 1.00 53.84 C +ATOM 900 C SER A 113 34.199 16.092 25.698 1.00 50.81 C +ATOM 901 O SER A 113 34.642 15.087 26.269 1.00 49.04 O +ATOM 902 CB SER A 113 32.734 15.349 23.856 1.00 48.28 C +ATOM 903 OG SER A 113 33.594 16.025 22.947 1.00 41.62 O +ATOM 904 N ASN A 114 34.935 17.181 25.464 1.00 44.18 N +ATOM 905 CA ASN A 114 36.343 17.356 25.818 1.00 47.20 C +ATOM 906 C ASN A 114 37.291 16.587 24.906 1.00 47.44 C +ATOM 907 O ASN A 114 38.450 16.362 25.284 1.00 45.50 O +ATOM 908 CB ASN A 114 36.653 16.990 27.274 1.00 48.29 C +ATOM 909 CG ASN A 114 37.872 17.734 27.804 1.00 51.96 C +ATOM 910 OD1 ASN A 114 38.124 18.884 27.426 1.00 54.75 O +ATOM 911 ND2 ASN A 114 38.659 17.067 28.646 1.00 50.95 N +ATOM 912 N TRP A 115 36.848 16.130 23.734 1.00 40.59 N +ATOM 913 CA TRP A 115 37.766 15.577 22.749 1.00 36.25 C +ATOM 914 C TRP A 115 37.652 16.351 21.439 1.00 39.32 C +ATOM 915 O TRP A 115 36.611 16.934 21.125 1.00 41.19 O +ATOM 916 CB TRP A 115 37.552 14.056 22.514 1.00 35.76 C +ATOM 917 CG TRP A 115 36.146 13.585 22.155 1.00 39.70 C +ATOM 918 CD1 TRP A 115 35.220 13.040 23.002 1.00 37.08 C +ATOM 919 CD2 TRP A 115 35.540 13.581 20.844 1.00 37.85 C +ATOM 920 NE1 TRP A 115 34.070 12.715 22.303 1.00 40.51 N +ATOM 921 CE2 TRP A 115 34.241 13.038 20.982 1.00 39.54 C +ATOM 922 CE3 TRP A 115 35.970 13.989 19.575 1.00 36.74 C +ATOM 923 CZ2 TRP A 115 33.366 12.888 19.893 1.00 34.78 C +ATOM 924 CZ3 TRP A 115 35.095 13.841 18.490 1.00 36.21 C +ATOM 925 CH2 TRP A 115 33.807 13.308 18.664 1.00 37.51 C +ATOM 926 N GLU A 116 38.750 16.365 20.683 1.00 38.25 N +ATOM 927 CA GLU A 116 38.856 17.173 19.474 1.00 38.60 C +ATOM 928 C GLU A 116 39.233 16.379 18.230 1.00 42.19 C +ATOM 929 O GLU A 116 39.412 16.977 17.161 1.00 43.63 O +ATOM 930 CB GLU A 116 39.890 18.293 19.687 1.00 43.34 C +ATOM 931 CG GLU A 116 39.561 19.260 20.809 1.00 46.38 C +ATOM 932 CD GLU A 116 40.055 18.823 22.184 1.00 52.44 C +ATOM 933 OE1 GLU A 116 39.283 19.004 23.141 1.00 52.86 O +ATOM 934 OE2 GLU A 116 41.199 18.329 22.321 1.00 49.66 O1- +ATOM 935 N GLY A 117 39.379 15.062 18.336 1.00 42.61 N +ATOM 936 CA GLY A 117 39.769 14.262 17.190 1.00 45.19 C +ATOM 937 C GLY A 117 39.406 12.814 17.437 1.00 39.90 C +ATOM 938 O GLY A 117 38.841 12.463 18.474 1.00 35.25 O +ATOM 939 N ILE A 118 39.752 11.967 16.471 1.00 36.14 N +ATOM 940 CA ILE A 118 39.380 10.558 16.521 1.00 34.99 C +ATOM 941 C ILE A 118 40.580 9.731 16.098 1.00 35.04 C +ATOM 942 O ILE A 118 41.334 10.116 15.198 1.00 38.60 O +ATOM 943 CB ILE A 118 38.151 10.262 15.633 1.00 38.05 C +ATOM 944 CG1 ILE A 118 37.733 8.786 15.738 1.00 34.80 C +ATOM 945 CG2 ILE A 118 38.420 10.682 14.201 1.00 31.54 C +ATOM 946 CD1 ILE A 118 36.389 8.493 15.097 1.00 34.22 C +ATOM 947 N LEU A 119 40.795 8.624 16.796 1.00 36.57 N +ATOM 948 CA LEU A 119 41.866 7.691 16.478 1.00 34.64 C +ATOM 949 C LEU A 119 41.199 6.401 16.014 1.00 36.26 C +ATOM 950 O LEU A 119 40.734 5.605 16.835 1.00 34.65 O +ATOM 951 CB LEU A 119 42.773 7.453 17.683 1.00 31.48 C +ATOM 952 CG LEU A 119 43.870 6.400 17.565 1.00 40.55 C +ATOM 953 CD1 LEU A 119 44.829 6.750 16.440 1.00 44.72 C +ATOM 954 CD2 LEU A 119 44.620 6.227 18.912 1.00 36.36 C +ATOM 955 N GLY A 120 41.132 6.210 14.699 1.00 41.24 N +ATOM 956 CA GLY A 120 40.620 4.968 14.155 1.00 37.42 C +ATOM 957 C GLY A 120 41.637 3.841 14.240 1.00 34.86 C +ATOM 958 O GLY A 120 42.696 3.886 13.603 1.00 34.88 O +ATOM 959 N LEU A 121 41.327 2.823 15.031 1.00 29.40 N +ATOM 960 CA LEU A 121 42.255 1.740 15.330 1.00 31.71 C +ATOM 961 C LEU A 121 42.001 0.488 14.506 1.00 36.52 C +ATOM 962 O LEU A 121 42.695 -0.511 14.711 1.00 36.37 O +ATOM 963 CB LEU A 121 42.188 1.387 16.824 1.00 31.72 C +ATOM 964 CG LEU A 121 42.723 2.455 17.788 1.00 38.60 C +ATOM 965 CD1 LEU A 121 42.331 2.133 19.227 1.00 38.51 C +ATOM 966 CD2 LEU A 121 44.227 2.547 17.678 1.00 35.58 C +ATOM 967 N ALA A 122 41.023 0.507 13.598 1.00 35.48 N +ATOM 968 CA ALA A 122 40.749 -0.642 12.745 1.00 33.08 C +ATOM 969 C ALA A 122 41.724 -0.651 11.563 1.00 39.73 C +ATOM 970 O ALA A 122 42.679 0.130 11.506 1.00 38.87 O +ATOM 971 CB ALA A 122 39.283 -0.645 12.308 1.00 29.05 C +ATOM 972 N TYR A 123 41.492 -1.536 10.594 1.00 35.26 N +ATOM 973 CA TYR A 123 42.501 -1.829 9.584 1.00 35.69 C +ATOM 974 C TYR A 123 42.417 -0.920 8.354 1.00 41.65 C +ATOM 975 O TYR A 123 41.403 -0.278 8.078 1.00 35.81 O +ATOM 976 CB TYR A 123 42.392 -3.288 9.144 1.00 41.21 C +ATOM 977 CG TYR A 123 42.665 -4.298 10.245 1.00 38.37 C +ATOM 978 CD1 TYR A 123 41.624 -4.836 10.987 1.00 36.23 C +ATOM 979 CD2 TYR A 123 43.965 -4.725 10.526 1.00 41.11 C +ATOM 980 CE1 TYR A 123 41.857 -5.766 11.985 1.00 35.06 C +ATOM 981 CE2 TYR A 123 44.207 -5.672 11.522 1.00 41.85 C +ATOM 982 CZ TYR A 123 43.143 -6.180 12.248 1.00 37.92 C +ATOM 983 OH TYR A 123 43.344 -7.116 13.238 1.00 37.60 O +ATOM 984 N ALA A 124 43.512 -0.920 7.590 1.00 41.36 N +ATOM 985 CA ALA A 124 43.641 -0.051 6.421 1.00 44.40 C +ATOM 986 C ALA A 124 42.535 -0.285 5.399 1.00 49.72 C +ATOM 987 O ALA A 124 42.161 0.640 4.662 1.00 44.41 O +ATOM 988 CB ALA A 124 45.012 -0.261 5.772 1.00 46.56 C +ATOM 989 N GLU A 125 42.011 -1.511 5.329 1.00 43.66 N +ATOM 990 CA GLU A 125 40.980 -1.830 4.347 1.00 47.05 C +ATOM 991 C GLU A 125 39.810 -0.842 4.366 1.00 48.65 C +ATOM 992 O GLU A 125 39.231 -0.565 3.313 1.00 44.71 O +ATOM 993 CB GLU A 125 40.478 -3.266 4.559 1.00 44.94 C +ATOM 994 CG GLU A 125 39.306 -3.640 3.680 1.00 60.98 C +ATOM 995 CD GLU A 125 39.698 -3.873 2.239 1.00 76.81 C +ATOM 996 OE1 GLU A 125 40.854 -4.266 1.982 1.00 82.72 O +ATOM 997 OE2 GLU A 125 38.862 -3.604 1.356 1.00 85.02 O1- +ATOM 998 N ILE A 126 39.449 -0.287 5.528 1.00 41.30 N +ATOM 999 CA ILE A 126 38.323 0.647 5.591 1.00 43.44 C +ATOM 1000 C ILE A 126 38.768 2.094 5.798 1.00 44.19 C +ATOM 1001 O ILE A 126 37.933 2.960 6.090 1.00 41.53 O +ATOM 1002 CB ILE A 126 37.292 0.244 6.659 1.00 39.34 C +ATOM 1003 CG1 ILE A 126 37.904 0.223 8.065 1.00 39.76 C +ATOM 1004 CG2 ILE A 126 36.647 -1.080 6.299 1.00 39.31 C +ATOM 1005 CD1 ILE A 126 36.883 -0.099 9.151 1.00 35.54 C +ATOM 1006 N ALA A 127 40.049 2.394 5.619 1.00 41.55 N +ATOM 1007 CA ALA A 127 40.486 3.781 5.698 1.00 45.64 C +ATOM 1008 C ALA A 127 39.986 4.565 4.482 1.00 47.15 C +ATOM 1009 O ALA A 127 39.827 4.020 3.386 1.00 43.39 O +ATOM 1010 CB ALA A 127 42.014 3.856 5.774 1.00 41.01 C +ATOM 1011 N ARG A 128 39.717 5.864 4.688 1.00 49.02 N +ATOM 1012 CA ARG A 128 39.415 6.735 3.549 1.00 46.97 C +ATOM 1013 C ARG A 128 40.607 7.648 3.275 1.00 48.71 C +ATOM 1014 O ARG A 128 41.357 7.989 4.199 1.00 46.29 O +ATOM 1015 CB ARG A 128 38.174 7.611 3.781 1.00 42.01 C +ATOM 1016 CG ARG A 128 36.848 6.870 3.947 1.00 45.10 C +ATOM 1017 CD ARG A 128 36.484 5.959 2.765 1.00 48.12 C +ATOM 1018 NE ARG A 128 35.172 5.326 2.972 1.00 52.09 N +ATOM 1019 CZ ARG A 128 34.005 5.844 2.579 1.00 56.70 C +ATOM 1020 NH1 ARG A 128 33.968 6.992 1.917 1.00 58.55 N +ATOM 1021 NH2 ARG A 128 32.870 5.199 2.824 1.00 49.67 N1+ +ATOM 1022 N PRO A 129 40.829 8.063 2.010 1.00 48.22 N +ATOM 1023 CA PRO A 129 40.041 7.776 0.803 1.00 45.72 C +ATOM 1024 C PRO A 129 40.147 6.328 0.321 1.00 51.73 C +ATOM 1025 O PRO A 129 39.235 5.858 -0.359 1.00 59.66 O +ATOM 1026 CB PRO A 129 40.635 8.747 -0.229 1.00 53.41 C +ATOM 1027 CG PRO A 129 42.038 8.904 0.199 1.00 57.04 C +ATOM 1028 CD PRO A 129 41.974 8.942 1.710 1.00 47.75 C +ATOM 1029 N ASP A 130 41.235 5.633 0.657 1.00 54.33 N +ATOM 1030 CA ASP A 130 41.398 4.237 0.264 1.00 55.12 C +ATOM 1031 C ASP A 130 42.423 3.587 1.185 1.00 51.42 C +ATOM 1032 O ASP A 130 43.068 4.256 1.997 1.00 51.60 O +ATOM 1033 CB ASP A 130 41.821 4.115 -1.209 1.00 56.13 C +ATOM 1034 CG ASP A 130 43.084 4.895 -1.513 1.00 61.76 C +ATOM 1035 OD1 ASP A 130 44.158 4.519 -1.003 1.00 62.66 O +ATOM 1036 OD2 ASP A 130 43.008 5.882 -2.273 1.00 71.89 O1- +ATOM 1037 N ASP A 131 42.606 2.271 1.012 1.00 46.57 N +ATOM 1038 CA ASP A 131 43.432 1.489 1.931 1.00 49.10 C +ATOM 1039 C ASP A 131 44.925 1.752 1.790 1.00 52.65 C +ATOM 1040 O ASP A 131 45.711 1.116 2.501 1.00 48.11 O +ATOM 1041 CB ASP A 131 43.154 -0.014 1.778 1.00 47.17 C +ATOM 1042 CG ASP A 131 43.519 -0.568 0.396 1.00 63.98 C +ATOM 1043 OD1 ASP A 131 44.243 0.098 -0.374 1.00 64.08 O +ATOM 1044 OD2 ASP A 131 43.082 -1.698 0.089 1.00 68.41 O1- +ATOM 1045 N SER A 132 45.344 2.654 0.903 1.00 51.72 N +ATOM 1046 CA SER A 132 46.750 3.021 0.867 1.00 48.92 C +ATOM 1047 C SER A 132 47.091 4.079 1.909 1.00 51.30 C +ATOM 1048 O SER A 132 48.272 4.376 2.105 1.00 56.10 O +ATOM 1049 CB SER A 132 47.139 3.509 -0.535 1.00 55.23 C +ATOM 1050 OG SER A 132 46.562 4.773 -0.796 1.00 54.62 O +ATOM 1051 N LEU A 133 46.097 4.637 2.598 1.00 52.30 N +ATOM 1052 CA LEU A 133 46.351 5.589 3.680 1.00 56.26 C +ATOM 1053 C LEU A 133 46.611 4.808 4.967 1.00 53.86 C +ATOM 1054 O LEU A 133 45.676 4.334 5.623 1.00 56.36 O +ATOM 1055 CB LEU A 133 45.187 6.553 3.846 1.00 53.63 C +ATOM 1056 CG LEU A 133 45.583 7.733 4.731 1.00 52.66 C +ATOM 1057 CD1 LEU A 133 46.457 8.719 3.932 1.00 49.59 C +ATOM 1058 CD2 LEU A 133 44.356 8.422 5.304 1.00 48.96 C +ATOM 1059 N GLU A 134 47.879 4.687 5.331 1.00 42.26 N +ATOM 1060 CA GLU A 134 48.281 3.867 6.461 1.00 46.78 C +ATOM 1061 C GLU A 134 47.664 4.361 7.770 1.00 44.65 C +ATOM 1062 O GLU A 134 47.846 5.538 8.127 1.00 44.51 O +ATOM 1063 CB GLU A 134 49.802 3.865 6.554 1.00 47.17 C +ATOM 1064 CG GLU A 134 50.352 3.007 7.672 1.00 49.43 C +ATOM 1065 CD GLU A 134 51.860 2.874 7.587 1.00 55.77 C +ATOM 1066 OE1 GLU A 134 52.341 1.972 6.867 1.00 60.98 O +ATOM 1067 OE2 GLU A 134 52.563 3.678 8.225 1.00 55.35 O1- +ATOM 1068 N PRO A 135 46.930 3.519 8.498 1.00 42.76 N +ATOM 1069 CA PRO A 135 46.383 3.932 9.798 1.00 41.63 C +ATOM 1070 C PRO A 135 47.475 4.133 10.843 1.00 44.26 C +ATOM 1071 O PRO A 135 48.593 3.626 10.722 1.00 42.15 O +ATOM 1072 CB PRO A 135 45.470 2.763 10.187 1.00 40.99 C +ATOM 1073 CG PRO A 135 45.157 2.080 8.888 1.00 44.00 C +ATOM 1074 CD PRO A 135 46.446 2.187 8.109 1.00 41.36 C +ATOM 1075 N PHE A 136 47.113 4.859 11.909 1.00 39.92 N +ATOM 1076 CA PHE A 136 48.087 5.229 12.939 1.00 42.85 C +ATOM 1077 C PHE A 136 48.765 4.010 13.566 1.00 45.84 C +ATOM 1078 O PHE A 136 49.989 3.999 13.751 1.00 44.82 O +ATOM 1079 CB PHE A 136 47.429 6.080 14.027 1.00 39.92 C +ATOM 1080 CG PHE A 136 48.348 6.373 15.194 1.00 43.14 C +ATOM 1081 CD1 PHE A 136 49.269 7.400 15.123 1.00 46.86 C +ATOM 1082 CD2 PHE A 136 48.306 5.594 16.348 1.00 45.49 C +ATOM 1083 CE1 PHE A 136 50.118 7.666 16.186 1.00 50.39 C +ATOM 1084 CE2 PHE A 136 49.155 5.856 17.414 1.00 48.13 C +ATOM 1085 CZ PHE A 136 50.055 6.890 17.333 1.00 46.97 C +ATOM 1086 N PHE A 137 47.985 3.004 13.975 1.00 39.37 N +ATOM 1087 CA PHE A 137 48.592 1.887 14.693 1.00 43.58 C +ATOM 1088 C PHE A 137 49.557 1.117 13.804 1.00 42.66 C +ATOM 1089 O PHE A 137 50.600 0.639 14.273 1.00 42.54 O +ATOM 1090 CB PHE A 137 47.526 0.952 15.269 1.00 39.65 C +ATOM 1091 CG PHE A 137 48.029 0.130 16.410 1.00 37.86 C +ATOM 1092 CD1 PHE A 137 48.060 0.659 17.696 1.00 41.19 C +ATOM 1093 CD2 PHE A 137 48.510 -1.156 16.205 1.00 41.84 C +ATOM 1094 CE1 PHE A 137 48.549 -0.091 18.764 1.00 38.26 C +ATOM 1095 CE2 PHE A 137 48.999 -1.910 17.266 1.00 39.24 C +ATOM 1096 CZ PHE A 137 49.024 -1.378 18.543 1.00 36.62 C +ATOM 1097 N ASP A 138 49.228 0.997 12.514 1.00 39.26 N +ATOM 1098 CA ASP A 138 50.149 0.412 11.545 1.00 44.11 C +ATOM 1099 C ASP A 138 51.462 1.188 11.492 1.00 44.05 C +ATOM 1100 O ASP A 138 52.545 0.591 11.458 1.00 46.03 O +ATOM 1101 CB ASP A 138 49.489 0.397 10.168 1.00 44.32 C +ATOM 1102 CG ASP A 138 48.302 -0.527 10.112 1.00 53.33 C +ATOM 1103 OD1 ASP A 138 48.444 -1.648 9.589 1.00 58.73 O +ATOM 1104 OD2 ASP A 138 47.224 -0.127 10.600 1.00 53.23 O1- +ATOM 1105 N SER A 139 51.378 2.523 11.449 1.00 43.55 N +ATOM 1106 CA SER A 139 52.575 3.356 11.469 1.00 49.02 C +ATOM 1107 C SER A 139 53.365 3.147 12.752 1.00 45.45 C +ATOM 1108 O SER A 139 54.598 3.051 12.721 1.00 42.34 O +ATOM 1109 CB SER A 139 52.199 4.832 11.311 1.00 45.91 C +ATOM 1110 OG SER A 139 51.570 5.061 10.058 1.00 50.36 O +ATOM 1111 N LEU A 140 52.670 3.124 13.892 1.00 42.30 N +ATOM 1112 CA LEU A 140 53.322 2.903 15.182 1.00 42.70 C +ATOM 1113 C LEU A 140 54.113 1.595 15.191 1.00 47.43 C +ATOM 1114 O LEU A 140 55.288 1.562 15.579 1.00 45.72 O +ATOM 1115 CB LEU A 140 52.267 2.905 16.288 1.00 41.37 C +ATOM 1116 CG LEU A 140 52.775 2.679 17.706 1.00 43.57 C +ATOM 1117 CD1 LEU A 140 53.732 3.802 18.097 1.00 44.57 C +ATOM 1118 CD2 LEU A 140 51.598 2.582 18.688 1.00 44.81 C +ATOM 1119 N VAL A 141 53.479 0.504 14.764 1.00 45.71 N +ATOM 1120 CA VAL A 141 54.134 -0.802 14.764 1.00 45.76 C +ATOM 1121 C VAL A 141 55.294 -0.826 13.767 1.00 51.56 C +ATOM 1122 O VAL A 141 56.358 -1.396 14.040 1.00 49.62 O +ATOM 1123 CB VAL A 141 53.087 -1.896 14.480 1.00 41.20 C +ATOM 1124 CG1 VAL A 141 53.734 -3.252 14.194 1.00 43.12 C +ATOM 1125 CG2 VAL A 141 52.090 -1.972 15.645 1.00 37.09 C +ATOM 1126 N LYS A 142 55.112 -0.211 12.600 1.00 50.70 N +ATOM 1127 CA LYS A 142 56.150 -0.260 11.573 1.00 52.93 C +ATOM 1128 C LYS A 142 57.388 0.543 11.978 1.00 55.11 C +ATOM 1129 O LYS A 142 58.522 0.125 11.709 1.00 56.85 O +ATOM 1130 CB LYS A 142 55.577 0.242 10.246 1.00 53.64 C +ATOM 1131 CG LYS A 142 56.489 0.060 9.039 1.00 69.18 C +ATOM 1132 CD LYS A 142 55.782 0.503 7.761 1.00 78.02 C +ATOM 1133 CE LYS A 142 56.767 0.832 6.647 1.00 86.94 C +ATOM 1134 NZ LYS A 142 57.511 -0.366 6.169 1.00 91.61 N1+ +ATOM 1135 N GLN A 143 57.194 1.693 12.622 1.00 49.15 N +ATOM 1136 CA GLN A 143 58.293 2.601 12.935 1.00 54.81 C +ATOM 1137 C GLN A 143 58.954 2.351 14.289 1.00 56.89 C +ATOM 1138 O GLN A 143 60.067 2.841 14.515 1.00 52.77 O +ATOM 1139 CB GLN A 143 57.790 4.050 12.870 1.00 49.16 C +ATOM 1140 CG GLN A 143 57.399 4.491 11.470 1.00 49.30 C +ATOM 1141 CD GLN A 143 56.728 5.845 11.447 1.00 51.58 C +ATOM 1142 OE1 GLN A 143 57.129 6.756 12.157 1.00 53.50 O +ATOM 1143 NE2 GLN A 143 55.701 5.983 10.619 1.00 54.58 N +ATOM 1144 N THR A 144 58.326 1.596 15.189 1.00 54.05 N +ATOM 1145 CA THR A 144 58.898 1.381 16.517 1.00 52.11 C +ATOM 1146 C THR A 144 58.913 -0.100 16.870 1.00 53.29 C +ATOM 1147 O THR A 144 58.592 -0.949 16.033 1.00 55.21 O +ATOM 1148 CB THR A 144 58.120 2.141 17.597 1.00 53.93 C +ATOM 1149 OG1 THR A 144 56.882 1.464 17.852 1.00 56.51 O +ATOM 1150 CG2 THR A 144 57.834 3.575 17.157 1.00 48.07 C +ATOM 1151 N HIS A 145 59.264 -0.428 18.110 1.00 50.72 N +ATOM 1152 CA HIS A 145 59.253 -1.814 18.554 1.00 56.86 C +ATOM 1153 C HIS A 145 57.981 -2.186 19.303 1.00 49.17 C +ATOM 1154 O HIS A 145 57.927 -3.261 19.908 1.00 52.84 O +ATOM 1155 CB HIS A 145 60.482 -2.120 19.420 1.00 66.89 C +ATOM 1156 CG HIS A 145 61.773 -2.165 18.654 1.00 75.24 C +ATOM 1157 ND1 HIS A 145 61.925 -2.893 17.491 1.00 78.01 N +ATOM 1158 CD2 HIS A 145 62.975 -1.587 18.894 1.00 76.51 C +ATOM 1159 CE1 HIS A 145 63.160 -2.753 17.043 1.00 75.70 C +ATOM 1160 NE2 HIS A 145 63.817 -1.965 17.874 1.00 77.72 N +ATOM 1161 N VAL A 146 56.962 -1.332 19.281 1.00 50.07 N +ATOM 1162 CA VAL A 146 55.695 -1.628 19.949 1.00 45.89 C +ATOM 1163 C VAL A 146 55.094 -2.886 19.326 1.00 35.34 C +ATOM 1164 O VAL A 146 54.878 -2.927 18.110 1.00 41.82 O +ATOM 1165 CB VAL A 146 54.718 -0.444 19.847 1.00 47.43 C +ATOM 1166 CG1 VAL A 146 53.349 -0.849 20.384 1.00 44.36 C +ATOM 1167 CG2 VAL A 146 55.265 0.777 20.576 1.00 45.55 C +ATOM 1168 N PRO A 147 54.806 -3.920 20.111 1.00 41.93 N +ATOM 1169 CA PRO A 147 54.167 -5.122 19.560 1.00 46.21 C +ATOM 1170 C PRO A 147 52.811 -4.809 18.932 1.00 44.19 C +ATOM 1171 O PRO A 147 52.155 -3.821 19.262 1.00 38.25 O +ATOM 1172 CB PRO A 147 54.023 -6.035 20.786 1.00 44.08 C +ATOM 1173 CG PRO A 147 55.154 -5.590 21.695 1.00 47.24 C +ATOM 1174 CD PRO A 147 55.184 -4.093 21.528 1.00 45.07 C +ATOM 1175 N ASN A 148 52.399 -5.665 17.993 1.00 37.99 N +ATOM 1176 CA ASN A 148 51.200 -5.430 17.179 1.00 36.70 C +ATOM 1177 C ASN A 148 49.945 -5.916 17.921 1.00 37.79 C +ATOM 1178 O ASN A 148 49.287 -6.896 17.554 1.00 35.03 O +ATOM 1179 CB ASN A 148 51.357 -6.100 15.818 1.00 37.98 C +ATOM 1180 CG ASN A 148 50.213 -5.764 14.858 1.00 42.78 C +ATOM 1181 OD1 ASN A 148 49.546 -4.748 15.010 1.00 39.20 O +ATOM 1182 ND2 ASN A 148 50.007 -6.606 13.854 1.00 37.68 N +ATOM 1183 N LEU A 149 49.607 -5.192 18.992 1.00 33.84 N +ATOM 1184 CA LEU A 149 48.373 -5.441 19.731 1.00 36.53 C +ATOM 1185 C LEU A 149 48.145 -4.312 20.724 1.00 34.91 C +ATOM 1186 O LEU A 149 49.073 -3.606 21.116 1.00 33.04 O +ATOM 1187 CB LEU A 149 48.384 -6.789 20.460 1.00 40.45 C +ATOM 1188 CG LEU A 149 49.071 -6.912 21.811 1.00 43.04 C +ATOM 1189 CD1 LEU A 149 48.689 -8.228 22.478 1.00 44.59 C +ATOM 1190 CD2 LEU A 149 50.565 -6.843 21.581 1.00 45.28 C +ATOM 1191 N PHE A 150 46.887 -4.148 21.108 1.00 30.56 N +ATOM 1192 CA PHE A 150 46.510 -3.206 22.150 1.00 31.87 C +ATOM 1193 C PHE A 150 45.328 -3.806 22.880 1.00 34.11 C +ATOM 1194 O PHE A 150 44.702 -4.754 22.398 1.00 32.90 O +ATOM 1195 CB PHE A 150 46.173 -1.799 21.599 1.00 33.30 C +ATOM 1196 CG PHE A 150 44.976 -1.765 20.660 1.00 35.15 C +ATOM 1197 CD1 PHE A 150 45.144 -1.953 19.290 1.00 35.08 C +ATOM 1198 CD2 PHE A 150 43.694 -1.511 21.142 1.00 35.73 C +ATOM 1199 CE1 PHE A 150 44.046 -1.927 18.410 1.00 32.00 C +ATOM 1200 CE2 PHE A 150 42.590 -1.460 20.275 1.00 32.64 C +ATOM 1201 CZ PHE A 150 42.767 -1.679 18.909 1.00 33.20 C +ATOM 1202 N SER A 151 45.054 -3.283 24.074 1.00 30.05 N +ATOM 1203 CA SER A 151 43.903 -3.733 24.836 1.00 31.19 C +ATOM 1204 C SER A 151 43.164 -2.527 25.392 1.00 32.67 C +ATOM 1205 O SER A 151 43.729 -1.441 25.560 1.00 36.52 O +ATOM 1206 CB SER A 151 44.280 -4.732 25.968 1.00 41.01 C +ATOM 1207 OG SER A 151 45.413 -4.329 26.705 1.00 49.05 O +ATOM 1208 N LEU A 152 41.865 -2.710 25.597 1.00 34.85 N +ATOM 1209 CA LEU A 152 40.998 -1.640 26.055 1.00 36.46 C +ATOM 1210 C LEU A 152 40.258 -2.139 27.277 1.00 36.49 C +ATOM 1211 O LEU A 152 39.614 -3.193 27.235 1.00 36.10 O +ATOM 1212 CB LEU A 152 40.015 -1.195 24.973 1.00 31.81 C +ATOM 1213 CG LEU A 152 40.612 -0.389 23.832 1.00 34.19 C +ATOM 1214 CD1 LEU A 152 39.553 -0.192 22.739 1.00 33.79 C +ATOM 1215 CD2 LEU A 152 41.114 0.969 24.372 1.00 31.17 C +ATOM 1216 N GLN A 153 40.362 -1.381 28.355 1.00 34.69 N +ATOM 1217 CA GLN A 153 39.631 -1.642 29.587 1.00 36.43 C +ATOM 1218 C GLN A 153 38.745 -0.420 29.786 1.00 37.57 C +ATOM 1219 O GLN A 153 39.200 0.599 30.306 1.00 37.73 O +ATOM 1220 CB GLN A 153 40.579 -1.862 30.773 1.00 34.98 C +ATOM 1221 CG GLN A 153 39.823 -2.065 32.089 1.00 41.90 C +ATOM 1222 CD GLN A 153 40.644 -1.750 33.318 1.00 51.64 C +ATOM 1223 OE1 GLN A 153 41.398 -0.772 33.348 1.00 51.51 O +ATOM 1224 NE2 GLN A 153 40.482 -2.565 34.351 1.00 53.02 N +ATOM 1225 N LEU A 154 37.492 -0.510 29.347 1.00 36.92 N +ATOM 1226 CA LEU A 154 36.553 0.598 29.457 1.00 38.94 C +ATOM 1227 C LEU A 154 35.755 0.420 30.738 1.00 41.95 C +ATOM 1228 O LEU A 154 35.099 -0.608 30.934 1.00 40.06 O +ATOM 1229 CB LEU A 154 35.622 0.666 28.248 1.00 34.77 C +ATOM 1230 CG LEU A 154 36.344 0.657 26.894 1.00 37.38 C +ATOM 1231 CD1 LEU A 154 35.358 0.853 25.738 1.00 32.20 C +ATOM 1232 CD2 LEU A 154 37.434 1.720 26.878 1.00 34.39 C +ATOM 1233 N CYS A 155 35.823 1.408 31.614 1.00 38.05 N +ATOM 1234 CA CYS A 155 35.144 1.331 32.900 1.00 46.26 C +ATOM 1235 C CYS A 155 33.935 2.259 32.873 1.00 51.20 C +ATOM 1236 O CYS A 155 33.977 3.330 32.271 1.00 53.61 O +ATOM 1237 CB CYS A 155 36.112 1.676 34.042 1.00 41.32 C +ATOM 1238 SG CYS A 155 37.566 0.558 34.083 1.00 46.76 S +ATOM 1239 N GLY A 156 32.854 1.841 33.505 1.00 62.67 N +ATOM 1240 CA GLY A 156 31.635 2.628 33.488 1.00 65.47 C +ATOM 1241 C GLY A 156 31.675 3.868 34.359 1.00 61.19 C +ATOM 1242 O GLY A 156 32.711 4.531 34.503 1.00 54.18 O +ATOM 1243 N ALA A 157 30.535 4.177 34.963 1.00 72.69 N +ATOM 1244 CA ALA A 157 30.480 5.270 35.915 1.00 72.48 C +ATOM 1245 C ALA A 157 31.308 4.928 37.150 1.00 78.21 C +ATOM 1246 O ALA A 157 31.592 3.760 37.442 1.00 79.61 O +ATOM 1247 CB ALA A 157 29.033 5.544 36.318 1.00 67.15 C +ATOM 1248 N GLY A 158 31.733 5.969 37.853 1.00 83.07 N +ATOM 1249 CA GLY A 158 32.634 5.816 38.980 1.00 86.32 C +ATOM 1250 C GLY A 158 34.082 6.049 38.593 1.00 87.82 C +ATOM 1251 O GLY A 158 34.993 5.478 39.192 1.00 88.52 O +ATOM 1252 N ALA A 168 28.873 11.894 35.785 1.00 49.76 N +ATOM 1253 CA ALA A 168 28.789 11.483 34.390 1.00 55.93 C +ATOM 1254 C ALA A 168 30.156 11.089 33.838 1.00 62.34 C +ATOM 1255 O ALA A 168 30.273 10.734 32.664 1.00 58.04 O +ATOM 1256 CB ALA A 168 28.187 12.592 33.541 1.00 56.64 C +ATOM 1257 N SER A 169 31.186 11.153 34.678 1.00 63.18 N +ATOM 1258 CA SER A 169 32.533 10.878 34.208 1.00 60.59 C +ATOM 1259 C SER A 169 32.730 9.382 34.008 1.00 59.99 C +ATOM 1260 O SER A 169 32.088 8.548 34.650 1.00 55.35 O +ATOM 1261 CB SER A 169 33.583 11.393 35.189 1.00 70.42 C +ATOM 1262 OG SER A 169 33.640 10.551 36.327 1.00 80.86 O +ATOM 1263 N VAL A 170 33.624 9.051 33.089 1.00 50.95 N +ATOM 1264 CA VAL A 170 33.924 7.667 32.765 1.00 43.13 C +ATOM 1265 C VAL A 170 35.438 7.562 32.603 1.00 42.82 C +ATOM 1266 O VAL A 170 36.114 8.556 32.325 1.00 41.31 O +ATOM 1267 CB VAL A 170 33.115 7.275 31.506 1.00 51.02 C +ATOM 1268 CG1 VAL A 170 33.913 7.458 30.225 1.00 45.15 C +ATOM 1269 CG2 VAL A 170 32.479 5.927 31.654 1.00 62.54 C +ATOM 1270 N GLY A 171 35.986 6.362 32.815 1.00 42.33 N +ATOM 1271 CA GLY A 171 37.426 6.196 32.738 1.00 45.00 C +ATOM 1272 C GLY A 171 37.797 4.824 32.214 1.00 41.92 C +ATOM 1273 O GLY A 171 36.940 3.962 32.033 1.00 46.06 O +ATOM 1274 N GLY A 172 39.090 4.631 31.965 1.00 39.37 N +ATOM 1275 CA GLY A 172 39.564 3.343 31.496 1.00 37.28 C +ATOM 1276 C GLY A 172 41.029 3.392 31.105 1.00 37.05 C +ATOM 1277 O GLY A 172 41.734 4.368 31.375 1.00 36.53 O +ATOM 1278 N SER A 173 41.465 2.316 30.450 1.00 32.53 N +ATOM 1279 CA SER A 173 42.852 2.159 30.051 1.00 34.78 C +ATOM 1280 C SER A 173 42.947 1.631 28.629 1.00 36.81 C +ATOM 1281 O SER A 173 42.237 0.694 28.248 1.00 33.58 O +ATOM 1282 CB SER A 173 43.608 1.194 30.993 1.00 30.84 C +ATOM 1283 OG SER A 173 43.392 1.539 32.340 1.00 35.45 O +ATOM 1284 N MET A 174 43.886 2.193 27.882 1.00 33.28 N +ATOM 1285 CA MET A 174 44.287 1.667 26.588 1.00 33.27 C +ATOM 1286 C MET A 174 45.749 1.265 26.722 1.00 37.82 C +ATOM 1287 O MET A 174 46.631 2.132 26.795 1.00 35.77 O +ATOM 1288 CB MET A 174 44.105 2.689 25.464 1.00 31.01 C +ATOM 1289 CG MET A 174 44.737 2.215 24.149 1.00 32.69 C +ATOM 1290 SD MET A 174 44.311 3.204 22.693 1.00 41.11 S +ATOM 1291 CE MET A 174 45.042 4.784 23.092 1.00 47.29 C +ATOM 1292 N ILE A 175 45.996 -0.042 26.797 1.00 35.33 N +ATOM 1293 CA ILE A 175 47.354 -0.568 26.915 1.00 37.34 C +ATOM 1294 C ILE A 175 47.877 -0.784 25.500 1.00 39.58 C +ATOM 1295 O ILE A 175 47.458 -1.710 24.792 1.00 32.50 O +ATOM 1296 CB ILE A 175 47.403 -1.869 27.725 1.00 34.49 C +ATOM 1297 CG1 ILE A 175 46.652 -1.708 29.053 1.00 32.83 C +ATOM 1298 CG2 ILE A 175 48.859 -2.274 27.951 1.00 32.19 C +ATOM 1299 CD1 ILE A 175 47.168 -0.572 29.936 1.00 34.62 C +ATOM 1300 N ILE A 176 48.802 0.066 25.089 1.00 38.46 N +ATOM 1301 CA ILE A 176 49.342 0.031 23.738 1.00 41.94 C +ATOM 1302 C ILE A 176 50.531 -0.921 23.723 1.00 43.53 C +ATOM 1303 O ILE A 176 51.521 -0.690 24.420 1.00 43.13 O +ATOM 1304 CB ILE A 176 49.750 1.440 23.289 1.00 43.17 C +ATOM 1305 CG1 ILE A 176 48.500 2.312 23.173 1.00 45.85 C +ATOM 1306 CG2 ILE A 176 50.554 1.392 21.999 1.00 38.37 C +ATOM 1307 CD1 ILE A 176 48.757 3.761 23.360 1.00 53.42 C +ATOM 1308 N GLY A 177 50.430 -1.995 22.949 1.00 39.28 N +ATOM 1309 CA GLY A 177 51.541 -2.909 22.800 1.00 38.66 C +ATOM 1310 C GLY A 177 51.531 -4.123 23.702 1.00 39.31 C +ATOM 1311 O GLY A 177 52.532 -4.849 23.739 1.00 43.85 O +ATOM 1312 N GLY A 178 50.462 -4.362 24.450 1.00 40.74 N +ATOM 1313 CA GLY A 178 50.435 -5.558 25.264 1.00 36.11 C +ATOM 1314 C GLY A 178 49.195 -5.683 26.111 1.00 38.99 C +ATOM 1315 O GLY A 178 48.164 -5.054 25.853 1.00 35.38 O +ATOM 1316 N ILE A 179 49.325 -6.553 27.108 1.00 37.84 N +ATOM 1317 CA ILE A 179 48.271 -6.932 28.035 1.00 36.43 C +ATOM 1318 C ILE A 179 48.799 -6.642 29.429 1.00 37.57 C +ATOM 1319 O ILE A 179 49.919 -7.044 29.762 1.00 41.89 O +ATOM 1320 CB ILE A 179 47.917 -8.425 27.891 1.00 41.67 C +ATOM 1321 CG1 ILE A 179 47.364 -8.711 26.488 1.00 40.96 C +ATOM 1322 CG2 ILE A 179 46.954 -8.866 28.997 1.00 35.62 C +ATOM 1323 CD1 ILE A 179 47.316 -10.213 26.146 1.00 46.67 C +ATOM 1324 N ASP A 180 48.005 -5.946 30.239 1.00 34.73 N +ATOM 1325 CA ASP A 180 48.369 -5.645 31.623 1.00 38.13 C +ATOM 1326 C ASP A 180 47.550 -6.587 32.492 1.00 37.04 C +ATOM 1327 O ASP A 180 46.335 -6.416 32.629 1.00 36.71 O +ATOM 1328 CB ASP A 180 48.094 -4.178 31.972 1.00 33.32 C +ATOM 1329 CG ASP A 180 48.641 -3.789 33.332 1.00 42.59 C +ATOM 1330 OD1 ASP A 180 49.251 -2.715 33.430 1.00 40.27 O +ATOM 1331 OD2 ASP A 180 48.499 -4.580 34.278 1.00 38.95 O1- +ATOM 1332 N HIS A 181 48.219 -7.585 33.070 1.00 38.69 N +ATOM 1333 CA HIS A 181 47.506 -8.667 33.735 1.00 45.68 C +ATOM 1334 C HIS A 181 46.831 -8.224 35.028 1.00 47.03 C +ATOM 1335 O HIS A 181 45.925 -8.917 35.503 1.00 42.77 O +ATOM 1336 CB HIS A 181 48.467 -9.840 33.946 1.00 52.25 C +ATOM 1337 CG HIS A 181 48.902 -10.466 32.655 1.00 62.79 C +ATOM 1338 ND1 HIS A 181 48.349 -11.626 32.159 1.00 63.71 N +ATOM 1339 CD2 HIS A 181 49.812 -10.062 31.735 1.00 63.82 C +ATOM 1340 CE1 HIS A 181 48.907 -11.917 30.997 1.00 59.73 C +ATOM 1341 NE2 HIS A 181 49.799 -10.984 30.717 1.00 61.54 N +ATOM 1342 N SER A 182 47.235 -7.086 35.598 1.00 38.80 N +ATOM 1343 CA SER A 182 46.573 -6.601 36.800 1.00 41.41 C +ATOM 1344 C SER A 182 45.186 -6.041 36.518 1.00 43.13 C +ATOM 1345 O SER A 182 44.447 -5.768 37.465 1.00 44.43 O +ATOM 1346 CB SER A 182 47.428 -5.527 37.482 1.00 46.62 C +ATOM 1347 OG SER A 182 47.449 -4.324 36.720 1.00 49.50 O +ATOM 1348 N LEU A 183 44.810 -5.858 35.252 1.00 39.25 N +ATOM 1349 CA LEU A 183 43.531 -5.232 34.926 1.00 35.42 C +ATOM 1350 C LEU A 183 42.386 -6.218 34.706 1.00 39.78 C +ATOM 1351 O LEU A 183 41.261 -5.779 34.446 1.00 41.10 O +ATOM 1352 CB LEU A 183 43.685 -4.330 33.700 1.00 33.07 C +ATOM 1353 CG LEU A 183 44.712 -3.205 33.861 1.00 45.21 C +ATOM 1354 CD1 LEU A 183 44.734 -2.311 32.626 1.00 46.55 C +ATOM 1355 CD2 LEU A 183 44.391 -2.396 35.106 1.00 44.43 C +ATOM 1356 N TYR A 184 42.611 -7.524 34.820 1.00 37.67 N +ATOM 1357 CA TYR A 184 41.509 -8.463 34.636 1.00 34.47 C +ATOM 1358 C TYR A 184 41.684 -9.661 35.555 1.00 37.02 C +ATOM 1359 O TYR A 184 42.778 -9.929 36.055 1.00 34.52 O +ATOM 1360 CB TYR A 184 41.396 -8.947 33.179 1.00 31.15 C +ATOM 1361 CG TYR A 184 42.510 -9.872 32.704 1.00 37.94 C +ATOM 1362 CD1 TYR A 184 43.659 -9.357 32.115 1.00 40.81 C +ATOM 1363 CD2 TYR A 184 42.408 -11.259 32.841 1.00 36.71 C +ATOM 1364 CE1 TYR A 184 44.675 -10.186 31.655 1.00 39.31 C +ATOM 1365 CE2 TYR A 184 43.433 -12.107 32.378 1.00 36.92 C +ATOM 1366 CZ TYR A 184 44.560 -11.551 31.790 1.00 42.09 C +ATOM 1367 OH TYR A 184 45.580 -12.343 31.333 1.00 41.39 O +ATOM 1368 N THR A 185 40.593 -10.402 35.744 1.00 37.20 N +ATOM 1369 CA THR A 185 40.602 -11.630 36.531 1.00 34.68 C +ATOM 1370 C THR A 185 40.170 -12.799 35.654 1.00 44.17 C +ATOM 1371 O THR A 185 39.533 -12.617 34.606 1.00 39.50 O +ATOM 1372 CB THR A 185 39.673 -11.532 37.750 1.00 37.61 C +ATOM 1373 OG1 THR A 185 38.332 -11.262 37.308 1.00 38.76 O +ATOM 1374 CG2 THR A 185 40.125 -10.423 38.677 1.00 44.97 C +ATOM 1375 N GLY A 186 40.543 -14.012 36.085 1.00 40.81 N +ATOM 1376 CA GLY A 186 40.175 -15.193 35.321 1.00 42.66 C +ATOM 1377 C GLY A 186 40.974 -15.278 34.028 1.00 42.39 C +ATOM 1378 O GLY A 186 42.019 -14.648 33.861 1.00 39.07 O +ATOM 1379 N SER A 187 40.478 -16.087 33.098 1.00 39.82 N +ATOM 1380 CA SER A 187 41.219 -16.309 31.868 1.00 42.96 C +ATOM 1381 C SER A 187 40.678 -15.445 30.729 1.00 35.12 C +ATOM 1382 O SER A 187 39.513 -15.041 30.705 1.00 33.56 O +ATOM 1383 CB SER A 187 41.200 -17.786 31.468 1.00 56.92 C +ATOM 1384 OG SER A 187 39.876 -18.268 31.441 1.00 72.09 O +ATOM 1385 N LEU A 188 41.559 -15.164 29.785 1.00 32.85 N +ATOM 1386 CA LEU A 188 41.159 -14.519 28.550 1.00 36.09 C +ATOM 1387 C LEU A 188 40.597 -15.573 27.610 1.00 33.93 C +ATOM 1388 O LEU A 188 41.143 -16.671 27.497 1.00 35.32 O +ATOM 1389 CB LEU A 188 42.361 -13.835 27.894 1.00 39.10 C +ATOM 1390 CG LEU A 188 42.729 -12.446 28.406 1.00 36.88 C +ATOM 1391 CD1 LEU A 188 44.184 -12.152 28.037 1.00 39.78 C +ATOM 1392 CD2 LEU A 188 41.781 -11.404 27.833 1.00 34.53 C +ATOM 1393 N TRP A 189 39.486 -15.252 26.960 1.00 31.81 N +ATOM 1394 CA TRP A 189 38.912 -16.115 25.934 1.00 30.41 C +ATOM 1395 C TRP A 189 38.987 -15.390 24.592 1.00 34.23 C +ATOM 1396 O TRP A 189 38.643 -14.204 24.499 1.00 31.16 O +ATOM 1397 CB TRP A 189 37.467 -16.487 26.292 1.00 27.17 C +ATOM 1398 CG TRP A 189 37.429 -17.524 27.367 1.00 30.28 C +ATOM 1399 CD1 TRP A 189 37.403 -17.316 28.722 1.00 34.96 C +ATOM 1400 CD2 TRP A 189 37.472 -18.946 27.175 1.00 31.05 C +ATOM 1401 NE1 TRP A 189 37.391 -18.539 29.379 1.00 31.58 N +ATOM 1402 CE2 TRP A 189 37.446 -19.546 28.448 1.00 34.71 C +ATOM 1403 CE3 TRP A 189 37.515 -19.769 26.043 1.00 31.91 C +ATOM 1404 CZ2 TRP A 189 37.468 -20.929 28.618 1.00 33.84 C +ATOM 1405 CZ3 TRP A 189 37.539 -21.145 26.216 1.00 34.47 C +ATOM 1406 CH2 TRP A 189 37.510 -21.709 27.488 1.00 32.58 C +ATOM 1407 N TYR A 190 39.450 -16.089 23.562 1.00 31.22 N +ATOM 1408 CA TYR A 190 39.727 -15.453 22.282 1.00 30.11 C +ATOM 1409 C TYR A 190 38.756 -15.907 21.202 1.00 32.07 C +ATOM 1410 O TYR A 190 38.415 -17.091 21.101 1.00 31.07 O +ATOM 1411 CB TYR A 190 41.161 -15.733 21.830 1.00 32.08 C +ATOM 1412 CG TYR A 190 42.222 -14.983 22.628 1.00 32.63 C +ATOM 1413 CD1 TYR A 190 42.858 -15.576 23.723 1.00 30.78 C +ATOM 1414 CD2 TYR A 190 42.602 -13.695 22.269 1.00 31.44 C +ATOM 1415 CE1 TYR A 190 43.837 -14.902 24.439 1.00 36.42 C +ATOM 1416 CE2 TYR A 190 43.591 -13.017 22.968 1.00 28.29 C +ATOM 1417 CZ TYR A 190 44.194 -13.623 24.054 1.00 32.92 C +ATOM 1418 OH TYR A 190 45.161 -12.955 24.752 1.00 38.74 O +ATOM 1419 N THR A 191 38.342 -14.953 20.377 1.00 31.87 N +ATOM 1420 CA THR A 191 37.530 -15.199 19.207 1.00 29.64 C +ATOM 1421 C THR A 191 38.294 -14.735 17.969 1.00 32.15 C +ATOM 1422 O THR A 191 39.031 -13.744 18.038 1.00 31.19 O +ATOM 1423 CB THR A 191 36.169 -14.463 19.338 1.00 30.19 C +ATOM 1424 OG1 THR A 191 35.252 -14.910 18.332 1.00 29.47 O +ATOM 1425 CG2 THR A 191 36.332 -12.937 19.266 1.00 32.39 C +ATOM 1426 N PRO A 192 38.216 -15.467 16.851 1.00 31.21 N +ATOM 1427 CA PRO A 192 38.996 -15.071 15.676 1.00 29.76 C +ATOM 1428 C PRO A 192 38.504 -13.752 15.111 1.00 31.37 C +ATOM 1429 O PRO A 192 37.303 -13.474 15.097 1.00 35.63 O +ATOM 1430 CB PRO A 192 38.751 -16.214 14.675 1.00 37.06 C +ATOM 1431 CG PRO A 192 38.319 -17.370 15.529 1.00 40.28 C +ATOM 1432 CD PRO A 192 37.524 -16.748 16.639 1.00 35.46 C +ATOM 1433 N ILE A 193 39.439 -12.950 14.615 1.00 30.48 N +ATOM 1434 CA ILE A 193 39.062 -11.827 13.765 1.00 34.05 C +ATOM 1435 C ILE A 193 38.742 -12.425 12.396 1.00 38.13 C +ATOM 1436 O ILE A 193 39.619 -12.980 11.740 1.00 37.38 O +ATOM 1437 CB ILE A 193 40.176 -10.779 13.681 1.00 33.36 C +ATOM 1438 CG1 ILE A 193 40.358 -10.103 15.047 1.00 33.94 C +ATOM 1439 CG2 ILE A 193 39.836 -9.735 12.608 1.00 33.59 C +ATOM 1440 CD1 ILE A 193 41.578 -9.164 15.159 1.00 36.56 C +ATOM 1441 N ARG A 194 37.478 -12.343 11.976 1.00 34.13 N +ATOM 1442 CA ARG A 194 37.065 -13.029 10.752 1.00 34.64 C +ATOM 1443 C ARG A 194 37.793 -12.468 9.539 1.00 40.68 C +ATOM 1444 O ARG A 194 38.239 -13.215 8.662 1.00 36.63 O +ATOM 1445 CB ARG A 194 35.554 -12.899 10.559 1.00 34.67 C +ATOM 1446 CG ARG A 194 35.009 -13.750 9.408 1.00 34.82 C +ATOM 1447 CD ARG A 194 33.568 -13.393 9.095 1.00 39.52 C +ATOM 1448 NE ARG A 194 33.019 -14.265 8.060 1.00 40.29 N +ATOM 1449 CZ ARG A 194 31.910 -14.013 7.376 1.00 40.22 C +ATOM 1450 NH1 ARG A 194 31.222 -12.905 7.602 1.00 38.06 N +ATOM 1451 NH2 ARG A 194 31.482 -14.880 6.466 1.00 40.28 N1+ +ATOM 1452 N ARG A 195 37.895 -11.150 9.465 1.00 34.37 N +ATOM 1453 CA ARG A 195 38.493 -10.466 8.334 1.00 37.85 C +ATOM 1454 C ARG A 195 39.013 -9.145 8.870 1.00 37.94 C +ATOM 1455 O ARG A 195 38.383 -8.537 9.744 1.00 34.08 O +ATOM 1456 CB ARG A 195 37.469 -10.258 7.209 1.00 37.62 C +ATOM 1457 CG ARG A 195 37.939 -9.403 6.047 1.00 44.50 C +ATOM 1458 CD ARG A 195 36.755 -9.126 5.093 1.00 51.80 C +ATOM 1459 NE ARG A 195 37.039 -7.993 4.223 1.00 55.55 N +ATOM 1460 CZ ARG A 195 36.114 -7.288 3.582 1.00 65.28 C +ATOM 1461 NH1 ARG A 195 34.829 -7.594 3.717 1.00 61.88 N +ATOM 1462 NH2 ARG A 195 36.481 -6.270 2.808 1.00 70.56 N1+ +ATOM 1463 N GLU A 196 40.190 -8.739 8.396 1.00 36.64 N +ATOM 1464 CA GLU A 196 40.857 -7.538 8.909 1.00 40.97 C +ATOM 1465 C GLU A 196 40.363 -6.314 8.139 1.00 44.99 C +ATOM 1466 O GLU A 196 40.958 -5.860 7.158 1.00 42.89 O +ATOM 1467 CB GLU A 196 42.368 -7.690 8.822 1.00 40.05 C +ATOM 1468 CG GLU A 196 42.925 -8.759 9.753 1.00 39.25 C +ATOM 1469 CD GLU A 196 44.250 -9.310 9.256 1.00 47.08 C +ATOM 1470 OE1 GLU A 196 44.330 -9.670 8.065 1.00 52.02 O +ATOM 1471 OE2 GLU A 196 45.210 -9.382 10.049 1.00 45.56 O1- +ATOM 1472 N TRP A 197 39.235 -5.782 8.588 1.00 37.64 N +ATOM 1473 CA TRP A 197 38.768 -4.515 8.041 1.00 37.35 C +ATOM 1474 C TRP A 197 38.197 -3.733 9.210 1.00 37.96 C +ATOM 1475 O TRP A 197 38.944 -2.980 9.842 1.00 37.62 O +ATOM 1476 CB TRP A 197 37.794 -4.725 6.869 1.00 32.62 C +ATOM 1477 CG TRP A 197 36.508 -5.520 7.120 1.00 36.42 C +ATOM 1478 CD1 TRP A 197 36.343 -6.595 7.945 1.00 34.85 C +ATOM 1479 CD2 TRP A 197 35.223 -5.288 6.501 1.00 37.86 C +ATOM 1480 NE1 TRP A 197 35.033 -7.048 7.884 1.00 37.87 N +ATOM 1481 CE2 TRP A 197 34.327 -6.258 7.013 1.00 39.57 C +ATOM 1482 CE3 TRP A 197 34.746 -4.357 5.563 1.00 40.75 C +ATOM 1483 CZ2 TRP A 197 32.975 -6.321 6.623 1.00 39.16 C +ATOM 1484 CZ3 TRP A 197 33.399 -4.416 5.177 1.00 45.13 C +ATOM 1485 CH2 TRP A 197 32.530 -5.391 5.716 1.00 42.87 C +ATOM 1486 N TYR A 198 36.924 -3.947 9.558 1.00 33.46 N +ATOM 1487 CA TYR A 198 36.504 -3.727 10.940 1.00 34.34 C +ATOM 1488 C TYR A 198 37.118 -4.823 11.820 1.00 34.88 C +ATOM 1489 O TYR A 198 37.718 -5.785 11.322 1.00 37.71 O +ATOM 1490 CB TYR A 198 34.984 -3.804 11.073 1.00 35.56 C +ATOM 1491 CG TYR A 198 34.213 -2.751 10.310 1.00 37.83 C +ATOM 1492 CD1 TYR A 198 33.971 -1.499 10.874 1.00 36.60 C +ATOM 1493 CD2 TYR A 198 33.699 -3.011 9.036 1.00 34.75 C +ATOM 1494 CE1 TYR A 198 33.256 -0.537 10.200 1.00 39.70 C +ATOM 1495 CE2 TYR A 198 32.982 -2.041 8.341 1.00 40.23 C +ATOM 1496 CZ TYR A 198 32.767 -0.810 8.938 1.00 44.42 C +ATOM 1497 OH TYR A 198 32.068 0.167 8.295 1.00 53.25 O +ATOM 1498 N TYR A 199 36.948 -4.711 13.144 1.00 31.90 N +ATOM 1499 CA TYR A 199 37.260 -5.851 14.009 1.00 30.73 C +ATOM 1500 C TYR A 199 36.040 -6.766 13.990 1.00 35.06 C +ATOM 1501 O TYR A 199 35.203 -6.754 14.895 1.00 34.10 O +ATOM 1502 CB TYR A 199 37.634 -5.404 15.426 1.00 27.34 C +ATOM 1503 CG TYR A 199 39.007 -4.774 15.471 1.00 31.47 C +ATOM 1504 CD1 TYR A 199 39.155 -3.394 15.519 1.00 29.36 C +ATOM 1505 CD2 TYR A 199 40.157 -5.558 15.381 1.00 29.59 C +ATOM 1506 CE1 TYR A 199 40.412 -2.805 15.524 1.00 33.08 C +ATOM 1507 CE2 TYR A 199 41.422 -4.977 15.399 1.00 31.21 C +ATOM 1508 CZ TYR A 199 41.543 -3.601 15.465 1.00 33.48 C +ATOM 1509 OH TYR A 199 42.799 -3.016 15.459 1.00 32.25 O +ATOM 1510 N GLU A 200 35.941 -7.580 12.919 1.00 30.76 N +ATOM 1511 CA GLU A 200 34.760 -8.411 12.689 1.00 33.65 C +ATOM 1512 C GLU A 200 34.883 -9.751 13.415 1.00 32.26 C +ATOM 1513 O GLU A 200 35.934 -10.394 13.381 1.00 31.20 O +ATOM 1514 CB GLU A 200 34.538 -8.665 11.189 1.00 30.90 C +ATOM 1515 CG GLU A 200 33.269 -9.468 10.898 1.00 34.10 C +ATOM 1516 CD GLU A 200 33.073 -9.814 9.417 1.00 40.20 C +ATOM 1517 OE1 GLU A 200 33.979 -9.554 8.600 1.00 35.34 O +ATOM 1518 OE2 GLU A 200 32.004 -10.356 9.082 1.00 39.56 O1- +ATOM 1519 N VAL A 201 33.799 -10.157 14.079 1.00 32.47 N +ATOM 1520 CA VAL A 201 33.727 -11.410 14.819 1.00 34.25 C +ATOM 1521 C VAL A 201 32.451 -12.150 14.409 1.00 33.04 C +ATOM 1522 O VAL A 201 31.632 -11.641 13.647 1.00 32.21 O +ATOM 1523 CB VAL A 201 33.761 -11.184 16.352 1.00 31.68 C +ATOM 1524 CG1 VAL A 201 35.047 -10.482 16.748 1.00 29.53 C +ATOM 1525 CG2 VAL A 201 32.552 -10.383 16.801 1.00 30.93 C +ATOM 1526 N ILE A 202 32.296 -13.376 14.913 1.00 29.47 N +ATOM 1527 CA ILE A 202 31.131 -14.217 14.602 1.00 29.92 C +ATOM 1528 C ILE A 202 30.452 -14.619 15.906 1.00 32.06 C +ATOM 1529 O ILE A 202 31.071 -15.256 16.766 1.00 33.30 O +ATOM 1530 CB ILE A 202 31.518 -15.451 13.766 1.00 34.13 C +ATOM 1531 CG1 ILE A 202 32.005 -14.992 12.384 1.00 37.65 C +ATOM 1532 CG2 ILE A 202 30.360 -16.457 13.687 1.00 29.01 C +ATOM 1533 CD1 ILE A 202 32.464 -16.126 11.443 1.00 46.67 C +ATOM 1534 N ILE A 203 29.193 -14.218 16.056 1.00 33.59 N +ATOM 1535 CA ILE A 203 28.351 -14.600 17.184 1.00 30.40 C +ATOM 1536 C ILE A 203 27.637 -15.891 16.801 1.00 37.51 C +ATOM 1537 O ILE A 203 26.981 -15.959 15.756 1.00 33.28 O +ATOM 1538 CB ILE A 203 27.337 -13.483 17.499 1.00 32.73 C +ATOM 1539 CG1 ILE A 203 28.057 -12.207 17.919 1.00 33.50 C +ATOM 1540 CG2 ILE A 203 26.322 -13.939 18.552 1.00 33.68 C +ATOM 1541 CD1 ILE A 203 27.114 -10.992 18.016 1.00 36.20 C +ATOM 1542 N VAL A 204 27.774 -16.926 17.625 1.00 32.95 N +ATOM 1543 CA VAL A 204 27.233 -18.234 17.275 1.00 31.87 C +ATOM 1544 C VAL A 204 25.987 -18.602 18.070 1.00 36.74 C +ATOM 1545 O VAL A 204 25.338 -19.601 17.731 1.00 37.35 O +ATOM 1546 CB VAL A 204 28.296 -19.343 17.410 1.00 33.28 C +ATOM 1547 CG1 VAL A 204 29.481 -19.041 16.492 1.00 30.07 C +ATOM 1548 CG2 VAL A 204 28.763 -19.493 18.887 1.00 29.95 C +ATOM 1549 N ARG A 205 25.620 -17.833 19.094 1.00 35.93 N +ATOM 1550 CA ARG A 205 24.435 -18.161 19.881 1.00 36.79 C +ATOM 1551 C ARG A 205 24.117 -16.960 20.763 1.00 33.63 C +ATOM 1552 O ARG A 205 25.017 -16.220 21.173 1.00 35.10 O +ATOM 1553 CB ARG A 205 24.660 -19.434 20.728 1.00 35.25 C +ATOM 1554 CG ARG A 205 23.480 -19.915 21.601 1.00 42.86 C +ATOM 1555 CD ARG A 205 23.902 -21.124 22.503 1.00 44.65 C +ATOM 1556 NE ARG A 205 24.422 -22.227 21.686 1.00 47.77 N +ATOM 1557 CZ ARG A 205 25.116 -23.275 22.134 1.00 50.27 C +ATOM 1558 NH1 ARG A 205 25.386 -23.423 23.429 1.00 42.13 N +ATOM 1559 NH2 ARG A 205 25.549 -24.189 21.265 1.00 44.49 N1+ +ATOM 1560 N VAL A 206 22.828 -16.747 21.014 1.00 33.21 N +ATOM 1561 CA VAL A 206 22.380 -15.696 21.915 1.00 35.62 C +ATOM 1562 C VAL A 206 21.354 -16.282 22.869 1.00 42.75 C +ATOM 1563 O VAL A 206 20.410 -16.955 22.440 1.00 39.57 O +ATOM 1564 CB VAL A 206 21.778 -14.495 21.163 1.00 36.28 C +ATOM 1565 CG1 VAL A 206 21.269 -13.444 22.157 1.00 33.15 C +ATOM 1566 CG2 VAL A 206 22.818 -13.881 20.227 1.00 34.63 C +ATOM 1567 N GLU A 207 21.538 -16.014 24.157 1.00 35.76 N +ATOM 1568 CA GLU A 207 20.602 -16.410 25.194 1.00 33.14 C +ATOM 1569 C GLU A 207 20.231 -15.190 26.017 1.00 39.22 C +ATOM 1570 O GLU A 207 21.055 -14.301 26.238 1.00 36.34 O +ATOM 1571 CB GLU A 207 21.191 -17.474 26.131 1.00 35.57 C +ATOM 1572 CG GLU A 207 21.586 -18.765 25.466 1.00 37.60 C +ATOM 1573 CD GLU A 207 22.181 -19.757 26.456 1.00 47.66 C +ATOM 1574 OE1 GLU A 207 22.829 -19.323 27.445 1.00 44.52 O +ATOM 1575 OE2 GLU A 207 21.975 -20.969 26.258 1.00 53.49 O1- +ATOM 1576 N ILE A 208 18.982 -15.156 26.469 1.00 38.80 N +ATOM 1577 CA ILE A 208 18.503 -14.115 27.367 1.00 40.49 C +ATOM 1578 C ILE A 208 17.924 -14.820 28.587 1.00 47.30 C +ATOM 1579 O ILE A 208 17.013 -15.647 28.457 1.00 40.68 O +ATOM 1580 CB ILE A 208 17.472 -13.198 26.684 1.00 37.50 C +ATOM 1581 CG1 ILE A 208 18.136 -12.425 25.529 1.00 41.15 C +ATOM 1582 CG2 ILE A 208 16.847 -12.219 27.673 1.00 41.62 C +ATOM 1583 CD1 ILE A 208 17.207 -11.477 24.800 1.00 41.88 C +ATOM 1584 N ASN A 209 18.500 -14.538 29.761 1.00 36.20 N +ATOM 1585 CA ASN A 209 18.138 -15.226 30.997 1.00 43.90 C +ATOM 1586 C ASN A 209 18.199 -16.739 30.809 1.00 44.15 C +ATOM 1587 O ASN A 209 17.321 -17.481 31.261 1.00 40.03 O +ATOM 1588 CB ASN A 209 16.769 -14.770 31.514 1.00 43.43 C +ATOM 1589 CG ASN A 209 16.884 -13.661 32.560 1.00 44.77 C +ATOM 1590 OD1 ASN A 209 17.990 -13.229 32.909 1.00 40.72 O +ATOM 1591 ND2 ASN A 209 15.742 -13.191 33.058 1.00 44.73 N +ATOM 1592 N GLY A 210 19.220 -17.196 30.078 1.00 39.41 N +ATOM 1593 CA GLY A 210 19.453 -18.619 29.889 1.00 39.83 C +ATOM 1594 C GLY A 210 18.625 -19.316 28.824 1.00 44.04 C +ATOM 1595 O GLY A 210 18.766 -20.535 28.665 1.00 49.53 O +ATOM 1596 N GLN A 211 17.736 -18.617 28.126 1.00 40.01 N +ATOM 1597 CA GLN A 211 16.928 -19.232 27.079 1.00 50.19 C +ATOM 1598 C GLN A 211 17.452 -18.822 25.706 1.00 41.16 C +ATOM 1599 O GLN A 211 17.627 -17.632 25.427 1.00 42.03 O +ATOM 1600 CB GLN A 211 15.442 -18.885 27.216 1.00 54.23 C +ATOM 1601 CG GLN A 211 14.582 -19.447 26.058 1.00 64.89 C +ATOM 1602 CD GLN A 211 13.115 -19.688 26.421 1.00 71.45 C +ATOM 1603 OE1 GLN A 211 12.797 -20.275 27.461 1.00 60.84 O +ATOM 1604 NE2 GLN A 211 12.213 -19.236 25.552 1.00 80.20 N +ATOM 1605 N ASP A 212 17.696 -19.812 24.859 1.00 42.71 N +ATOM 1606 CA ASP A 212 18.215 -19.571 23.521 1.00 40.78 C +ATOM 1607 C ASP A 212 17.183 -18.795 22.707 1.00 45.08 C +ATOM 1608 O ASP A 212 15.997 -19.138 22.697 1.00 47.13 O +ATOM 1609 CB ASP A 212 18.528 -20.924 22.877 1.00 46.98 C +ATOM 1610 CG ASP A 212 19.333 -20.826 21.590 1.00 48.64 C +ATOM 1611 OD1 ASP A 212 19.271 -19.808 20.873 1.00 48.59 O +ATOM 1612 OD2 ASP A 212 20.025 -21.820 21.282 1.00 52.64 O1- +ATOM 1613 N LEU A 213 17.625 -17.734 22.032 1.00 38.25 N +ATOM 1614 CA LEU A 213 16.715 -17.041 21.127 1.00 40.69 C +ATOM 1615 C LEU A 213 16.347 -17.914 19.932 1.00 50.29 C +ATOM 1616 O LEU A 213 15.337 -17.647 19.275 1.00 56.10 O +ATOM 1617 CB LEU A 213 17.342 -15.731 20.627 1.00 41.39 C +ATOM 1618 CG LEU A 213 17.357 -14.473 21.493 1.00 48.42 C +ATOM 1619 CD1 LEU A 213 17.866 -13.299 20.674 1.00 50.70 C +ATOM 1620 CD2 LEU A 213 15.960 -14.165 22.008 1.00 51.51 C +ATOM 1621 N LYS A 214 17.146 -18.942 19.643 1.00 54.58 N +ATOM 1622 CA LYS A 214 16.849 -19.937 18.614 1.00 65.09 C +ATOM 1623 C LYS A 214 16.543 -19.290 17.265 1.00 61.44 C +ATOM 1624 O LYS A 214 15.568 -19.617 16.590 1.00 68.27 O +ATOM 1625 CB LYS A 214 15.731 -20.885 19.053 1.00 71.39 C +ATOM 1626 CG LYS A 214 16.117 -21.732 20.256 1.00 73.17 C +ATOM 1627 CD LYS A 214 15.033 -22.727 20.615 1.00 81.85 C +ATOM 1628 CE LYS A 214 14.856 -23.740 19.490 1.00 87.04 C +ATOM 1629 NZ LYS A 214 16.171 -24.225 18.972 1.00 88.62 N1+ +ATOM 1630 N MET A 215 17.386 -18.354 16.873 1.00 52.01 N +ATOM 1631 CA MET A 215 17.334 -17.831 15.523 1.00 49.31 C +ATOM 1632 C MET A 215 18.441 -18.513 14.733 1.00 44.52 C +ATOM 1633 O MET A 215 19.399 -19.029 15.306 1.00 45.15 O +ATOM 1634 CB MET A 215 17.542 -16.317 15.513 1.00 47.29 C +ATOM 1635 CG MET A 215 16.534 -15.544 16.323 1.00 52.40 C +ATOM 1636 SD MET A 215 16.786 -13.765 16.165 1.00 50.58 S +ATOM 1637 CE MET A 215 16.619 -13.571 14.410 1.00 56.08 C +ATOM 1638 N ASP A 216 18.297 -18.528 13.412 1.00 43.07 N +ATOM 1639 CA ASP A 216 19.419 -18.871 12.549 1.00 42.60 C +ATOM 1640 C ASP A 216 20.584 -17.949 12.906 1.00 40.94 C +ATOM 1641 O ASP A 216 20.449 -16.721 12.859 1.00 44.72 O +ATOM 1642 CB ASP A 216 19.024 -18.693 11.079 1.00 50.16 C +ATOM 1643 CG ASP A 216 20.110 -19.157 10.100 1.00 54.79 C +ATOM 1644 OD1 ASP A 216 21.314 -19.044 10.406 1.00 52.15 O +ATOM 1645 OD2 ASP A 216 19.749 -19.631 9.001 1.00 62.20 O1- +ATOM 1646 N CYS A 217 21.718 -18.539 13.289 1.00 39.46 N +ATOM 1647 CA CYS A 217 22.819 -17.737 13.808 1.00 38.90 C +ATOM 1648 C CYS A 217 23.353 -16.752 12.779 1.00 39.10 C +ATOM 1649 O CYS A 217 24.007 -15.779 13.162 1.00 38.21 O +ATOM 1650 CB CYS A 217 23.945 -18.643 14.336 1.00 43.23 C +ATOM 1651 SG CYS A 217 24.748 -19.819 13.166 1.00 48.16 S +ATOM 1652 N LYS A 218 23.071 -16.963 11.487 1.00 39.87 N +ATOM 1653 CA LYS A 218 23.431 -15.957 10.493 1.00 39.07 C +ATOM 1654 C LYS A 218 22.752 -14.629 10.783 1.00 40.51 C +ATOM 1655 O LYS A 218 23.317 -13.570 10.483 1.00 42.88 O +ATOM 1656 CB LYS A 218 23.041 -16.417 9.085 1.00 41.54 C +ATOM 1657 CG LYS A 218 23.955 -17.462 8.475 1.00 47.28 C +ATOM 1658 CD LYS A 218 23.505 -17.850 7.043 1.00 47.70 C +ATOM 1659 CE LYS A 218 24.373 -18.975 6.478 1.00 43.59 C +ATOM 1660 NZ LYS A 218 25.772 -18.520 6.239 1.00 45.65 N1+ +ATOM 1661 N GLU A 219 21.553 -14.664 11.382 1.00 38.92 N +ATOM 1662 CA GLU A 219 20.834 -13.432 11.701 1.00 39.88 C +ATOM 1663 C GLU A 219 21.613 -12.567 12.688 1.00 44.36 C +ATOM 1664 O GLU A 219 21.495 -11.334 12.666 1.00 43.06 O +ATOM 1665 CB GLU A 219 19.453 -13.753 12.286 1.00 42.23 C +ATOM 1666 CG GLU A 219 18.505 -14.576 11.401 1.00 39.43 C +ATOM 1667 CD GLU A 219 17.930 -13.794 10.230 1.00 47.99 C +ATOM 1668 OE1 GLU A 219 18.232 -12.589 10.090 1.00 46.61 O +ATOM 1669 OE2 GLU A 219 17.152 -14.393 9.456 1.00 53.34 O1- +ATOM 1670 N TYR A 220 22.375 -13.198 13.587 1.00 36.37 N +ATOM 1671 CA TYR A 220 23.171 -12.464 14.565 1.00 36.07 C +ATOM 1672 C TYR A 220 24.311 -11.700 13.909 1.00 37.91 C +ATOM 1673 O TYR A 220 24.827 -10.745 14.500 1.00 38.02 O +ATOM 1674 CB TYR A 220 23.762 -13.428 15.605 1.00 33.55 C +ATOM 1675 CG TYR A 220 22.730 -14.285 16.327 1.00 38.95 C +ATOM 1676 CD1 TYR A 220 23.000 -15.611 16.638 1.00 37.93 C +ATOM 1677 CD2 TYR A 220 21.499 -13.766 16.694 1.00 39.27 C +ATOM 1678 CE1 TYR A 220 22.081 -16.396 17.293 1.00 36.88 C +ATOM 1679 CE2 TYR A 220 20.560 -14.546 17.348 1.00 40.52 C +ATOM 1680 CZ TYR A 220 20.859 -15.856 17.649 1.00 42.76 C +ATOM 1681 OH TYR A 220 19.941 -16.637 18.301 1.00 41.53 O +ATOM 1682 N ASN A 221 24.729 -12.118 12.716 1.00 36.58 N +ATOM 1683 CA ASN A 221 25.877 -11.540 12.031 1.00 35.03 C +ATOM 1684 C ASN A 221 25.481 -10.978 10.673 1.00 37.83 C +ATOM 1685 O ASN A 221 26.289 -10.944 9.750 1.00 38.47 O +ATOM 1686 CB ASN A 221 26.985 -12.577 11.880 1.00 37.92 C +ATOM 1687 CG ASN A 221 27.310 -13.274 13.191 1.00 38.56 C +ATOM 1688 OD1 ASN A 221 27.857 -12.663 14.103 1.00 31.84 O +ATOM 1689 ND2 ASN A 221 26.968 -14.555 13.285 1.00 33.70 N +ATOM 1690 N TYR A 222 24.245 -10.509 10.556 1.00 38.16 N +ATOM 1691 CA TYR A 222 23.712 -9.994 9.299 1.00 36.27 C +ATOM 1692 C TYR A 222 23.722 -8.466 9.365 1.00 39.82 C +ATOM 1693 O TYR A 222 22.928 -7.873 10.101 1.00 42.11 O +ATOM 1694 CB TYR A 222 22.302 -10.543 9.083 1.00 37.99 C +ATOM 1695 CG TYR A 222 21.591 -9.983 7.875 1.00 40.29 C +ATOM 1696 CD1 TYR A 222 22.098 -10.182 6.605 1.00 43.03 C +ATOM 1697 CD2 TYR A 222 20.411 -9.265 8.008 1.00 46.80 C +ATOM 1698 CE1 TYR A 222 21.450 -9.676 5.488 1.00 49.47 C +ATOM 1699 CE2 TYR A 222 19.746 -8.757 6.892 1.00 55.54 C +ATOM 1700 CZ TYR A 222 20.277 -8.965 5.636 1.00 57.96 C +ATOM 1701 OH TYR A 222 19.642 -8.467 4.513 1.00 65.28 O +ATOM 1702 N ASP A 223 24.589 -7.820 8.583 1.00 39.23 N +ATOM 1703 CA ASP A 223 25.476 -8.462 7.605 1.00 41.33 C +ATOM 1704 C ASP A 223 26.928 -8.629 8.087 1.00 39.94 C +ATOM 1705 O ASP A 223 27.806 -9.097 7.346 1.00 40.32 O +ATOM 1706 CB ASP A 223 25.444 -7.655 6.301 1.00 45.52 C +ATOM 1707 CG ASP A 223 25.911 -6.213 6.481 1.00 56.12 C +ATOM 1708 OD1 ASP A 223 25.850 -5.676 7.607 1.00 53.66 O +ATOM 1709 OD2 ASP A 223 26.299 -5.596 5.469 1.00 65.43 O1- +ATOM 1710 N LYS A 224 27.160 -8.290 9.350 1.00 37.40 N +ATOM 1711 CA LYS A 224 28.456 -8.464 10.001 1.00 41.18 C +ATOM 1712 C LYS A 224 28.249 -8.194 11.488 1.00 36.83 C +ATOM 1713 O LYS A 224 27.220 -7.656 11.898 1.00 35.86 O +ATOM 1714 CB LYS A 224 29.526 -7.526 9.432 1.00 39.60 C +ATOM 1715 CG LYS A 224 29.228 -6.029 9.678 1.00 41.91 C +ATOM 1716 CD LYS A 224 30.330 -5.143 9.114 1.00 47.62 C +ATOM 1717 CE LYS A 224 29.954 -3.683 9.193 1.00 51.18 C +ATOM 1718 NZ LYS A 224 28.735 -3.390 8.395 1.00 53.24 N1+ +ATOM 1719 N SER A 225 29.249 -8.553 12.284 1.00 36.05 N +ATOM 1720 CA SER A 225 29.292 -8.206 13.702 1.00 34.05 C +ATOM 1721 C SER A 225 30.663 -7.609 13.990 1.00 35.60 C +ATOM 1722 O SER A 225 31.680 -8.193 13.604 1.00 33.48 O +ATOM 1723 CB SER A 225 29.059 -9.433 14.603 1.00 33.33 C +ATOM 1724 OG SER A 225 27.738 -9.930 14.501 1.00 35.97 O +ATOM 1725 N ILE A 226 30.702 -6.443 14.646 1.00 35.39 N +ATOM 1726 CA ILE A 226 31.972 -5.763 14.880 1.00 30.28 C +ATOM 1727 C ILE A 226 32.096 -5.354 16.346 1.00 32.25 C +ATOM 1728 O ILE A 226 31.109 -5.171 17.060 1.00 33.24 O +ATOM 1729 CB ILE A 226 32.152 -4.526 13.975 1.00 31.19 C +ATOM 1730 CG1 ILE A 226 31.245 -3.388 14.453 1.00 33.67 C +ATOM 1731 CG2 ILE A 226 31.894 -4.911 12.482 1.00 28.67 C +ATOM 1732 CD1 ILE A 226 31.464 -2.048 13.726 1.00 34.66 C +ATOM 1733 N VAL A 227 33.337 -5.180 16.779 1.00 33.33 N +ATOM 1734 CA VAL A 227 33.646 -4.670 18.109 1.00 31.93 C +ATOM 1735 C VAL A 227 34.029 -3.201 17.945 1.00 37.22 C +ATOM 1736 O VAL A 227 35.000 -2.882 17.251 1.00 35.03 O +ATOM 1737 CB VAL A 227 34.776 -5.480 18.769 1.00 30.21 C +ATOM 1738 CG1 VAL A 227 35.064 -4.945 20.175 1.00 33.75 C +ATOM 1739 CG2 VAL A 227 34.415 -6.975 18.824 1.00 27.61 C +ATOM 1740 N ASP A 228 33.268 -2.297 18.566 1.00 33.41 N +ATOM 1741 CA ASP A 228 33.386 -0.872 18.248 1.00 35.41 C +ATOM 1742 C ASP A 228 33.353 -0.019 19.512 1.00 33.93 C +ATOM 1743 O ASP A 228 32.274 0.296 20.024 1.00 34.50 O +ATOM 1744 CB ASP A 228 32.283 -0.448 17.284 1.00 34.74 C +ATOM 1745 CG ASP A 228 32.427 0.996 16.850 1.00 37.28 C +ATOM 1746 OD1 ASP A 228 33.486 1.595 17.136 1.00 39.52 O +ATOM 1747 OD2 ASP A 228 31.490 1.525 16.239 1.00 36.44 O1- +ATOM 1748 N SER A 229 34.534 0.417 19.961 1.00 33.05 N +ATOM 1749 CA SER A 229 34.625 1.301 21.120 1.00 32.27 C +ATOM 1750 C SER A 229 34.036 2.688 20.862 1.00 33.43 C +ATOM 1751 O SER A 229 33.779 3.419 21.825 1.00 33.26 O +ATOM 1752 CB SER A 229 36.094 1.463 21.535 1.00 29.87 C +ATOM 1753 OG SER A 229 36.814 2.160 20.518 1.00 34.30 O +ATOM 1754 N GLY A 230 33.825 3.069 19.600 1.00 31.82 N +ATOM 1755 CA GLY A 230 33.314 4.376 19.230 1.00 34.21 C +ATOM 1756 C GLY A 230 31.808 4.487 19.100 1.00 34.56 C +ATOM 1757 O GLY A 230 31.296 5.508 18.620 1.00 36.86 O +ATOM 1758 N THR A 231 31.084 3.456 19.494 1.00 35.00 N +ATOM 1759 CA THR A 231 29.632 3.476 19.565 1.00 40.15 C +ATOM 1760 C THR A 231 29.249 3.105 20.990 1.00 38.02 C +ATOM 1761 O THR A 231 29.825 2.173 21.563 1.00 34.68 O +ATOM 1762 CB THR A 231 29.008 2.476 18.575 1.00 39.38 C +ATOM 1763 OG1 THR A 231 29.268 2.895 17.234 1.00 46.64 O +ATOM 1764 CG2 THR A 231 27.516 2.403 18.757 1.00 45.80 C +ATOM 1765 N THR A 232 28.293 3.842 21.573 1.00 33.81 N +ATOM 1766 CA THR A 232 27.900 3.575 22.956 1.00 34.30 C +ATOM 1767 C THR A 232 27.108 2.277 23.068 1.00 39.99 C +ATOM 1768 O THR A 232 27.420 1.412 23.896 1.00 36.50 O +ATOM 1769 CB THR A 232 27.072 4.742 23.499 1.00 40.65 C +ATOM 1770 OG1 THR A 232 27.896 5.908 23.576 1.00 40.43 O +ATOM 1771 CG2 THR A 232 26.485 4.422 24.908 1.00 37.29 C +ATOM 1772 N ASN A 233 26.079 2.118 22.236 1.00 35.17 N +ATOM 1773 CA ASN A 233 25.083 1.080 22.456 1.00 36.94 C +ATOM 1774 C ASN A 233 25.545 -0.288 21.959 1.00 36.27 C +ATOM 1775 O ASN A 233 26.484 -0.420 21.172 1.00 37.46 O +ATOM 1776 CB ASN A 233 23.777 1.443 21.752 1.00 36.77 C +ATOM 1777 CG ASN A 233 23.025 2.536 22.461 1.00 45.38 C +ATOM 1778 OD1 ASN A 233 23.493 3.075 23.465 1.00 40.11 O +ATOM 1779 ND2 ASN A 233 21.847 2.875 21.943 1.00 45.19 N +ATOM 1780 N LEU A 234 24.833 -1.314 22.418 1.00 34.72 N +ATOM 1781 CA LEU A 234 24.774 -2.581 21.704 1.00 32.55 C +ATOM 1782 C LEU A 234 23.761 -2.397 20.578 1.00 35.65 C +ATOM 1783 O LEU A 234 22.606 -2.036 20.831 1.00 38.20 O +ATOM 1784 CB LEU A 234 24.333 -3.722 22.625 1.00 35.27 C +ATOM 1785 CG LEU A 234 23.932 -5.024 21.911 1.00 36.57 C +ATOM 1786 CD1 LEU A 234 25.134 -5.599 21.162 1.00 32.58 C +ATOM 1787 CD2 LEU A 234 23.346 -6.074 22.885 1.00 30.78 C +ATOM 1788 N ARG A 235 24.192 -2.574 19.338 1.00 33.89 N +ATOM 1789 CA ARG A 235 23.308 -2.399 18.195 1.00 37.86 C +ATOM 1790 C ARG A 235 23.084 -3.758 17.551 1.00 39.31 C +ATOM 1791 O ARG A 235 24.037 -4.521 17.375 1.00 36.52 O +ATOM 1792 CB ARG A 235 23.889 -1.381 17.209 1.00 38.15 C +ATOM 1793 CG ARG A 235 24.275 -0.054 17.891 1.00 40.57 C +ATOM 1794 CD ARG A 235 24.525 1.066 16.890 1.00 45.55 C +ATOM 1795 NE ARG A 235 23.375 1.204 15.999 1.00 56.14 N +ATOM 1796 CZ ARG A 235 23.042 2.312 15.349 1.00 72.14 C +ATOM 1797 NH1 ARG A 235 23.763 3.421 15.488 1.00 78.21 N +ATOM 1798 NH2 ARG A 235 21.971 2.307 14.566 1.00 72.59 N1+ +ATOM 1799 N LEU A 236 21.820 -4.078 17.261 1.00 38.56 N +ATOM 1800 CA LEU A 236 21.446 -5.395 16.765 1.00 35.95 C +ATOM 1801 C LEU A 236 20.668 -5.297 15.463 1.00 35.59 C +ATOM 1802 O LEU A 236 19.832 -4.394 15.300 1.00 40.65 O +ATOM 1803 CB LEU A 236 20.593 -6.148 17.796 1.00 39.39 C +ATOM 1804 CG LEU A 236 21.260 -6.419 19.133 1.00 38.49 C +ATOM 1805 CD1 LEU A 236 20.205 -6.869 20.139 1.00 37.55 C +ATOM 1806 CD2 LEU A 236 22.362 -7.481 18.938 1.00 32.72 C +ATOM 1807 N PRO A 237 20.878 -6.239 14.546 1.00 40.71 N +ATOM 1808 CA PRO A 237 20.062 -6.280 13.329 1.00 40.53 C +ATOM 1809 C PRO A 237 18.585 -6.336 13.684 1.00 43.72 C +ATOM 1810 O PRO A 237 18.196 -6.877 14.724 1.00 41.51 O +ATOM 1811 CB PRO A 237 20.514 -7.575 12.641 1.00 42.33 C +ATOM 1812 CG PRO A 237 21.915 -7.793 13.168 1.00 39.47 C +ATOM 1813 CD PRO A 237 21.841 -7.353 14.600 1.00 37.62 C +ATOM 1814 N LYS A 238 17.767 -5.761 12.793 1.00 38.74 N +ATOM 1815 CA LYS A 238 16.332 -5.611 13.009 1.00 40.58 C +ATOM 1816 C LYS A 238 15.688 -6.850 13.619 1.00 44.46 C +ATOM 1817 O LYS A 238 15.035 -6.772 14.664 1.00 45.28 O +ATOM 1818 CB LYS A 238 15.641 -5.265 11.684 1.00 43.61 C +ATOM 1819 CG LYS A 238 14.127 -5.108 11.814 1.00 58.63 C +ATOM 1820 CD LYS A 238 13.470 -4.829 10.461 1.00 67.72 C +ATOM 1821 CE LYS A 238 11.971 -4.611 10.605 1.00 72.62 C +ATOM 1822 NZ LYS A 238 11.674 -3.418 11.458 1.00 76.70 N1+ +ATOM 1823 N LYS A 239 15.836 -7.998 12.953 1.00 44.41 N +ATOM 1824 CA LYS A 239 15.171 -9.211 13.425 1.00 47.68 C +ATOM 1825 C LYS A 239 15.640 -9.606 14.821 1.00 45.71 C +ATOM 1826 O LYS A 239 14.839 -10.061 15.645 1.00 44.08 O +ATOM 1827 CB LYS A 239 15.397 -10.357 12.437 1.00 54.85 C +ATOM 1828 CG LYS A 239 14.481 -11.566 12.645 1.00 58.20 C +ATOM 1829 CD LYS A 239 14.750 -12.645 11.597 1.00 69.90 C +ATOM 1830 CE LYS A 239 13.888 -13.889 11.820 1.00 81.79 C +ATOM 1831 NZ LYS A 239 12.423 -13.616 11.875 1.00 86.20 N1+ +ATOM 1832 N VAL A 240 16.941 -9.491 15.088 1.00 41.96 N +ATOM 1833 CA VAL A 240 17.470 -9.832 16.406 1.00 37.51 C +ATOM 1834 C VAL A 240 17.028 -8.809 17.445 1.00 39.93 C +ATOM 1835 O VAL A 240 16.647 -9.168 18.567 1.00 42.43 O +ATOM 1836 CB VAL A 240 19.008 -9.951 16.339 1.00 40.99 C +ATOM 1837 CG1 VAL A 240 19.576 -10.313 17.688 1.00 39.64 C +ATOM 1838 CG2 VAL A 240 19.407 -10.997 15.308 1.00 38.11 C +ATOM 1839 N PHE A 241 17.088 -7.520 17.097 1.00 39.92 N +ATOM 1840 CA PHE A 241 16.649 -6.482 18.026 1.00 37.19 C +ATOM 1841 C PHE A 241 15.205 -6.713 18.463 1.00 42.24 C +ATOM 1842 O PHE A 241 14.891 -6.684 19.660 1.00 39.44 O +ATOM 1843 CB PHE A 241 16.823 -5.107 17.380 1.00 44.27 C +ATOM 1844 CG PHE A 241 16.244 -3.984 18.184 1.00 43.02 C +ATOM 1845 CD1 PHE A 241 16.905 -3.506 19.307 1.00 41.86 C +ATOM 1846 CD2 PHE A 241 15.023 -3.421 17.830 1.00 44.48 C +ATOM 1847 CE1 PHE A 241 16.366 -2.466 20.056 1.00 48.90 C +ATOM 1848 CE2 PHE A 241 14.479 -2.386 18.574 1.00 47.23 C +ATOM 1849 CZ PHE A 241 15.150 -1.906 19.683 1.00 49.39 C +ATOM 1850 N GLU A 242 14.324 -7.014 17.504 1.00 41.52 N +ATOM 1851 CA GLU A 242 12.914 -7.240 17.818 1.00 47.56 C +ATOM 1852 C GLU A 242 12.738 -8.412 18.771 1.00 45.61 C +ATOM 1853 O GLU A 242 11.963 -8.329 19.733 1.00 46.80 O +ATOM 1854 CB GLU A 242 12.120 -7.458 16.530 1.00 56.08 C +ATOM 1855 CG GLU A 242 12.038 -6.215 15.661 1.00 61.85 C +ATOM 1856 CD GLU A 242 11.365 -6.474 14.322 1.00 75.15 C +ATOM 1857 OE1 GLU A 242 11.535 -7.578 13.762 1.00 78.76 O +ATOM 1858 OE2 GLU A 242 10.662 -5.571 13.827 1.00 79.86 O1- +ATOM 1859 N ALA A 243 13.436 -9.523 18.513 1.00 43.30 N +ATOM 1860 CA ALA A 243 13.341 -10.671 19.415 1.00 49.31 C +ATOM 1861 C ALA A 243 13.875 -10.333 20.800 1.00 50.94 C +ATOM 1862 O ALA A 243 13.273 -10.705 21.813 1.00 45.76 O +ATOM 1863 CB ALA A 243 14.088 -11.873 18.836 1.00 49.92 C +ATOM 1864 N ALA A 244 15.005 -9.628 20.863 1.00 50.58 N +ATOM 1865 CA ALA A 244 15.607 -9.293 22.150 1.00 41.32 C +ATOM 1866 C ALA A 244 14.702 -8.369 22.953 1.00 44.69 C +ATOM 1867 O ALA A 244 14.483 -8.576 24.152 1.00 50.55 O +ATOM 1868 CB ALA A 244 16.979 -8.652 21.930 1.00 38.86 C +ATOM 1869 N VAL A 245 14.163 -7.336 22.307 1.00 42.10 N +ATOM 1870 CA VAL A 245 13.290 -6.404 23.012 1.00 42.75 C +ATOM 1871 C VAL A 245 12.042 -7.116 23.515 1.00 49.79 C +ATOM 1872 O VAL A 245 11.601 -6.889 24.649 1.00 45.69 O +ATOM 1873 CB VAL A 245 12.944 -5.209 22.106 1.00 48.59 C +ATOM 1874 CG1 VAL A 245 11.778 -4.418 22.676 1.00 51.43 C +ATOM 1875 CG2 VAL A 245 14.156 -4.317 21.957 1.00 48.93 C +ATOM 1876 N LYS A 246 11.473 -8.010 22.697 1.00 48.62 N +ATOM 1877 CA LYS A 246 10.296 -8.755 23.129 1.00 53.36 C +ATOM 1878 C LYS A 246 10.586 -9.549 24.393 1.00 52.70 C +ATOM 1879 O LYS A 246 9.781 -9.558 25.335 1.00 45.15 O +ATOM 1880 CB LYS A 246 9.817 -9.693 22.023 1.00 55.85 C +ATOM 1881 CG LYS A 246 8.617 -10.528 22.430 1.00 66.23 C +ATOM 1882 CD LYS A 246 8.092 -11.357 21.269 1.00 72.13 C +ATOM 1883 CE LYS A 246 6.906 -12.219 21.702 1.00 77.61 C +ATOM 1884 NZ LYS A 246 6.268 -12.931 20.551 1.00 74.52 N1+ +ATOM 1885 N SER A 247 11.743 -10.213 24.431 1.00 45.21 N +ATOM 1886 CA SER A 247 12.105 -11.011 25.594 1.00 45.24 C +ATOM 1887 C SER A 247 12.385 -10.124 26.798 1.00 45.10 C +ATOM 1888 O SER A 247 11.994 -10.453 27.922 1.00 49.62 O +ATOM 1889 CB SER A 247 13.318 -11.890 25.257 1.00 42.82 C +ATOM 1890 OG SER A 247 13.799 -12.539 26.411 1.00 51.75 O +ATOM 1891 N ILE A 248 13.069 -8.996 26.588 1.00 46.12 N +ATOM 1892 CA ILE A 248 13.364 -8.097 27.702 1.00 40.41 C +ATOM 1893 C ILE A 248 12.082 -7.465 28.237 1.00 46.26 C +ATOM 1894 O ILE A 248 11.904 -7.325 29.455 1.00 48.75 O +ATOM 1895 CB ILE A 248 14.396 -7.041 27.271 1.00 44.21 C +ATOM 1896 CG1 ILE A 248 15.710 -7.720 26.850 1.00 41.36 C +ATOM 1897 CG2 ILE A 248 14.622 -6.026 28.389 1.00 40.80 C +ATOM 1898 CD1 ILE A 248 16.728 -6.743 26.262 1.00 41.46 C +ATOM 1899 N LYS A 249 11.163 -7.088 27.341 1.00 47.67 N +ATOM 1900 CA LYS A 249 9.867 -6.562 27.765 1.00 50.36 C +ATOM 1901 C LYS A 249 9.119 -7.577 28.616 1.00 50.17 C +ATOM 1902 O LYS A 249 8.598 -7.246 29.685 1.00 55.97 O +ATOM 1903 CB LYS A 249 9.019 -6.210 26.547 1.00 50.16 C +ATOM 1904 CG LYS A 249 9.318 -4.900 25.854 1.00 50.21 C +ATOM 1905 CD LYS A 249 8.205 -4.645 24.843 1.00 59.97 C +ATOM 1906 CE LYS A 249 8.436 -3.401 24.008 1.00 63.66 C +ATOM 1907 NZ LYS A 249 7.532 -3.394 22.820 1.00 64.75 N1+ +ATOM 1908 N ALA A 250 9.067 -8.828 28.150 1.00 50.43 N +ATOM 1909 CA ALA A 250 8.380 -9.877 28.890 1.00 54.27 C +ATOM 1910 C ALA A 250 8.987 -10.078 30.266 1.00 57.01 C +ATOM 1911 O ALA A 250 8.261 -10.170 31.264 1.00 58.53 O +ATOM 1912 CB ALA A 250 8.423 -11.187 28.109 1.00 52.51 C +ATOM 1913 N ALA A 251 10.320 -10.119 30.348 1.00 48.91 N +ATOM 1914 CA ALA A 251 10.957 -10.361 31.636 1.00 49.14 C +ATOM 1915 C ALA A 251 10.664 -9.245 32.628 1.00 47.42 C +ATOM 1916 O ALA A 251 10.564 -9.502 33.833 1.00 49.13 O +ATOM 1917 CB ALA A 251 12.469 -10.527 31.453 1.00 45.41 C +ATOM 1918 N SER A 252 10.468 -8.017 32.142 1.00 47.87 N +ATOM 1919 CA SER A 252 10.247 -6.864 33.003 1.00 49.96 C +ATOM 1920 C SER A 252 8.792 -6.376 32.984 1.00 59.75 C +ATOM 1921 O SER A 252 8.512 -5.269 33.452 1.00 54.61 O +ATOM 1922 CB SER A 252 11.191 -5.732 32.592 1.00 46.95 C +ATOM 1923 OG SER A 252 10.895 -5.271 31.277 1.00 49.63 O +ATOM 1924 N SER A 253 7.857 -7.196 32.488 1.00 63.80 N +ATOM 1925 CA SER A 253 6.480 -6.746 32.277 1.00 63.89 C +ATOM 1926 C SER A 253 5.753 -6.343 33.557 1.00 69.87 C +ATOM 1927 O SER A 253 4.683 -5.729 33.466 1.00 69.80 O +ATOM 1928 CB SER A 253 5.673 -7.829 31.555 1.00 60.16 C +ATOM 1929 OG SER A 253 5.558 -9.001 32.342 1.00 70.20 O +ATOM 1930 N THR A 254 6.291 -6.653 34.738 1.00 66.78 N +ATOM 1931 CA THR A 254 5.672 -6.168 35.966 1.00 76.38 C +ATOM 1932 C THR A 254 5.720 -4.652 36.089 1.00 75.92 C +ATOM 1933 O THR A 254 5.000 -4.088 36.919 1.00 70.54 O +ATOM 1934 CB THR A 254 6.325 -6.803 37.194 1.00 78.06 C +ATOM 1935 OG1 THR A 254 7.738 -6.571 37.170 1.00 79.33 O +ATOM 1936 CG2 THR A 254 6.043 -8.285 37.216 1.00 78.82 C +ATOM 1937 N GLU A 255 6.527 -3.978 35.286 1.00 76.97 N +ATOM 1938 CA GLU A 255 6.580 -2.530 35.304 1.00 77.51 C +ATOM 1939 C GLU A 255 6.247 -1.982 33.926 1.00 84.43 C +ATOM 1940 O GLU A 255 6.417 -2.659 32.909 1.00 86.17 O +ATOM 1941 CB GLU A 255 7.941 -2.038 35.781 1.00 76.93 C +ATOM 1942 CG GLU A 255 8.079 -2.192 37.278 1.00 82.98 C +ATOM 1943 CD GLU A 255 9.276 -1.474 37.837 1.00 88.96 C +ATOM 1944 OE1 GLU A 255 9.589 -0.366 37.346 1.00 89.76 O +ATOM 1945 OE2 GLU A 255 9.876 -2.001 38.794 1.00 92.95 O1- +ATOM 1946 N LYS A 256 5.725 -0.763 33.912 1.00 95.43 N +ATOM 1947 CA LYS A 256 5.287 -0.129 32.681 1.00101.98 C +ATOM 1948 C LYS A 256 6.333 0.876 32.224 1.00 92.62 C +ATOM 1949 O LYS A 256 6.816 1.693 33.017 1.00 82.34 O +ATOM 1950 CB LYS A 256 3.931 0.555 32.881 1.00114.00 C +ATOM 1951 CG LYS A 256 3.897 1.587 34.008 1.00118.81 C +ATOM 1952 CD LYS A 256 2.481 2.070 34.305 1.00121.70 C +ATOM 1953 CE LYS A 256 1.662 1.000 35.014 1.00122.76 C +ATOM 1954 NZ LYS A 256 0.322 1.507 35.429 1.00124.43 N1+ +ATOM 1955 N PHE A 257 6.703 0.782 30.952 1.00 92.64 N +ATOM 1956 CA PHE A 257 7.618 1.709 30.322 1.00 90.33 C +ATOM 1957 C PHE A 257 6.950 2.237 29.064 1.00 93.18 C +ATOM 1958 O PHE A 257 6.256 1.480 28.373 1.00 96.97 O +ATOM 1959 CB PHE A 257 8.944 1.029 29.929 1.00 82.86 C +ATOM 1960 CG PHE A 257 9.561 0.201 31.018 1.00 77.65 C +ATOM 1961 CD1 PHE A 257 9.176 -1.112 31.202 1.00 75.30 C +ATOM 1962 CD2 PHE A 257 10.551 0.720 31.830 1.00 75.88 C +ATOM 1963 CE1 PHE A 257 9.745 -1.885 32.189 1.00 70.79 C +ATOM 1964 CE2 PHE A 257 11.122 -0.052 32.825 1.00 74.33 C +ATOM 1965 CZ PHE A 257 10.719 -1.356 33.000 1.00 69.20 C +ATOM 1966 N PRO A 258 7.134 3.513 28.739 1.00 89.50 N +ATOM 1967 CA PRO A 258 6.656 4.016 27.445 1.00 92.66 C +ATOM 1968 C PRO A 258 7.404 3.352 26.300 1.00 99.44 C +ATOM 1969 O PRO A 258 8.578 3.004 26.434 1.00100.96 O +ATOM 1970 CB PRO A 258 6.956 5.519 27.521 1.00 86.95 C +ATOM 1971 CG PRO A 258 8.102 5.590 28.492 1.00 84.12 C +ATOM 1972 CD PRO A 258 7.787 4.569 29.529 1.00 83.54 C +ATOM 1973 N ASP A 259 6.713 3.160 25.168 1.00101.89 N +ATOM 1974 CA ASP A 259 7.370 2.566 24.005 1.00101.14 C +ATOM 1975 C ASP A 259 8.562 3.399 23.562 1.00 95.72 C +ATOM 1976 O ASP A 259 9.524 2.851 23.003 1.00 88.73 O +ATOM 1977 CB ASP A 259 6.382 2.428 22.843 1.00108.74 C +ATOM 1978 CG ASP A 259 6.887 1.507 21.732 1.00117.78 C +ATOM 1979 OD1 ASP A 259 7.956 0.877 21.876 1.00118.58 O +ATOM 1980 OD2 ASP A 259 6.206 1.407 20.693 1.00121.21 O1- +ATOM 1981 N GLY A 260 8.548 4.701 23.861 1.00 89.40 N +ATOM 1982 CA GLY A 260 9.700 5.516 23.544 1.00 80.48 C +ATOM 1983 C GLY A 260 10.929 5.111 24.316 1.00 72.15 C +ATOM 1984 O GLY A 260 12.048 5.309 23.835 1.00 63.16 O +ATOM 1985 N PHE A 261 10.747 4.480 25.476 1.00 70.00 N +ATOM 1986 CA PHE A 261 11.891 3.974 26.223 1.00 62.00 C +ATOM 1987 C PHE A 261 12.619 2.898 25.428 1.00 49.55 C +ATOM 1988 O PHE A 261 13.840 2.959 25.258 1.00 48.73 O +ATOM 1989 CB PHE A 261 11.440 3.425 27.578 1.00 56.37 C +ATOM 1990 CG PHE A 261 12.520 2.677 28.319 1.00 54.87 C +ATOM 1991 CD1 PHE A 261 13.556 3.367 28.926 1.00 49.95 C +ATOM 1992 CD2 PHE A 261 12.503 1.294 28.396 1.00 54.87 C +ATOM 1993 CE1 PHE A 261 14.553 2.698 29.605 1.00 50.98 C +ATOM 1994 CE2 PHE A 261 13.501 0.610 29.077 1.00 55.11 C +ATOM 1995 CZ PHE A 261 14.528 1.315 29.684 1.00 56.11 C +ATOM 1996 N TRP A 262 11.874 1.936 24.878 1.00 45.16 N +ATOM 1997 CA TRP A 262 12.506 0.845 24.144 1.00 52.34 C +ATOM 1998 C TRP A 262 13.116 1.286 22.824 1.00 49.40 C +ATOM 1999 O TRP A 262 13.836 0.497 22.205 1.00 52.60 O +ATOM 2000 CB TRP A 262 11.500 -0.284 23.896 1.00 53.13 C +ATOM 2001 CG TRP A 262 10.865 -0.790 25.154 1.00 50.75 C +ATOM 2002 CD1 TRP A 262 9.596 -0.537 25.607 1.00 55.11 C +ATOM 2003 CD2 TRP A 262 11.501 -1.575 26.167 1.00 47.43 C +ATOM 2004 NE1 TRP A 262 9.390 -1.166 26.816 1.00 55.48 N +ATOM 2005 CE2 TRP A 262 10.547 -1.804 27.183 1.00 52.61 C +ATOM 2006 CE3 TRP A 262 12.778 -2.131 26.299 1.00 43.37 C +ATOM 2007 CZ2 TRP A 262 10.837 -2.551 28.322 1.00 52.16 C +ATOM 2008 CZ3 TRP A 262 13.062 -2.870 27.430 1.00 43.89 C +ATOM 2009 CH2 TRP A 262 12.098 -3.075 28.424 1.00 47.92 C +ATOM 2010 N LEU A 263 12.893 2.529 22.408 1.00 51.94 N +ATOM 2011 CA LEU A 263 13.519 3.064 21.211 1.00 53.23 C +ATOM 2012 C LEU A 263 14.688 3.972 21.543 1.00 56.24 C +ATOM 2013 O LEU A 263 15.309 4.518 20.629 1.00 59.86 O +ATOM 2014 CB LEU A 263 12.502 3.840 20.368 1.00 53.80 C +ATOM 2015 CG LEU A 263 11.371 3.050 19.722 1.00 58.78 C +ATOM 2016 CD1 LEU A 263 10.461 4.010 18.974 1.00 65.09 C +ATOM 2017 CD2 LEU A 263 11.913 1.995 18.798 1.00 58.64 C +ATOM 2018 N GLY A 264 15.001 4.145 22.827 1.00 61.16 N +ATOM 2019 CA GLY A 264 16.039 5.075 23.208 1.00 65.23 C +ATOM 2020 C GLY A 264 15.589 6.520 23.226 1.00 72.52 C +ATOM 2021 O GLY A 264 16.419 7.415 23.355 1.00 74.81 O +ATOM 2022 N GLU A 265 14.304 6.789 23.097 1.00 81.52 N +ATOM 2023 CA GLU A 265 13.873 8.177 23.026 1.00 83.80 C +ATOM 2024 C GLU A 265 13.599 8.777 24.405 1.00 90.01 C +ATOM 2025 O GLU A 265 13.958 9.933 24.659 1.00 97.16 O +ATOM 2026 CB GLU A 265 12.661 8.279 22.104 1.00 84.45 C +ATOM 2027 CG GLU A 265 13.024 7.799 20.708 1.00 86.98 C +ATOM 2028 CD GLU A 265 11.853 7.777 19.768 1.00 92.65 C +ATOM 2029 OE1 GLU A 265 12.082 7.673 18.543 1.00 94.67 O +ATOM 2030 OE2 GLU A 265 10.707 7.887 20.255 1.00 93.91 O1- +ATOM 2031 N GLN A 266 12.968 8.025 25.299 1.00 83.19 N +ATOM 2032 CA GLN A 266 12.594 8.503 26.620 1.00 84.80 C +ATOM 2033 C GLN A 266 13.365 7.778 27.726 1.00 80.51 C +ATOM 2034 O GLN A 266 13.803 6.635 27.557 1.00 81.77 O +ATOM 2035 CB GLN A 266 11.087 8.350 26.813 1.00 96.63 C +ATOM 2036 CG GLN A 266 10.562 8.894 28.110 1.00111.17 C +ATOM 2037 CD GLN A 266 9.060 8.824 28.175 1.00123.44 C +ATOM 2038 OE1 GLN A 266 8.401 8.451 27.201 1.00125.02 O +ATOM 2039 NE2 GLN A 266 8.504 9.172 29.326 1.00130.28 N +ATOM 2040 N LEU A 267 13.537 8.463 28.859 1.00 71.84 N +ATOM 2041 CA LEU A 267 14.203 7.911 30.033 1.00 69.85 C +ATOM 2042 C LEU A 267 13.201 7.230 30.959 1.00 63.88 C +ATOM 2043 O LEU A 267 12.009 7.540 30.948 1.00 66.82 O +ATOM 2044 CB LEU A 267 14.888 9.007 30.846 1.00 72.11 C +ATOM 2045 CG LEU A 267 16.110 9.777 30.396 1.00 73.50 C +ATOM 2046 CD1 LEU A 267 16.323 10.902 31.391 1.00 70.27 C +ATOM 2047 CD2 LEU A 267 17.299 8.844 30.361 1.00 74.78 C +ATOM 2048 N VAL A 268 13.694 6.277 31.747 1.00 61.63 N +ATOM 2049 CA VAL A 268 12.932 5.663 32.829 1.00 61.27 C +ATOM 2050 C VAL A 268 13.605 6.058 34.133 1.00 64.33 C +ATOM 2051 O VAL A 268 14.837 6.120 34.206 1.00 68.28 O +ATOM 2052 CB VAL A 268 12.848 4.130 32.685 1.00 67.72 C +ATOM 2053 CG1 VAL A 268 14.229 3.481 32.841 1.00 68.85 C +ATOM 2054 CG2 VAL A 268 11.879 3.555 33.694 1.00 71.50 C +ATOM 2055 N CYS A 269 12.808 6.341 35.159 1.00 64.86 N +ATOM 2056 CA CYS A 269 13.358 6.730 36.448 1.00 64.20 C +ATOM 2057 C CYS A 269 12.701 5.936 37.568 1.00 65.66 C +ATOM 2058 O CYS A 269 11.552 5.490 37.468 1.00 65.36 O +ATOM 2059 CB CYS A 269 13.198 8.249 36.721 1.00 68.38 C +ATOM 2060 SG CYS A 269 13.842 9.382 35.440 1.00 71.82 S +ATOM 2061 N TRP A 270 13.443 5.821 38.665 1.00 66.17 N +ATOM 2062 CA TRP A 270 12.995 5.162 39.880 1.00 71.97 C +ATOM 2063 C TRP A 270 13.597 5.931 41.042 1.00 74.51 C +ATOM 2064 O TRP A 270 14.632 6.588 40.894 1.00 68.22 O +ATOM 2065 CB TRP A 270 13.444 3.695 39.965 1.00 72.62 C +ATOM 2066 CG TRP A 270 12.815 2.761 38.978 1.00 77.55 C +ATOM 2067 CD1 TRP A 270 11.576 2.193 39.051 1.00 77.61 C +ATOM 2068 CD2 TRP A 270 13.409 2.276 37.769 1.00 74.54 C +ATOM 2069 NE1 TRP A 270 11.360 1.386 37.958 1.00 72.14 N +ATOM 2070 CE2 TRP A 270 12.470 1.424 37.155 1.00 74.85 C +ATOM 2071 CE3 TRP A 270 14.640 2.491 37.141 1.00 70.70 C +ATOM 2072 CZ2 TRP A 270 12.729 0.779 35.945 1.00 70.37 C +ATOM 2073 CZ3 TRP A 270 14.893 1.853 35.942 1.00 71.39 C +ATOM 2074 CH2 TRP A 270 13.941 1.009 35.355 1.00 70.78 C +ATOM 2075 N GLN A 271 12.951 5.832 42.203 1.00 79.00 N +ATOM 2076 CA GLN A 271 13.496 6.467 43.395 1.00 82.09 C +ATOM 2077 C GLN A 271 14.912 5.966 43.639 1.00 78.00 C +ATOM 2078 O GLN A 271 15.199 4.777 43.476 1.00 72.77 O +ATOM 2079 CB GLN A 271 12.642 6.149 44.618 1.00 90.51 C +ATOM 2080 CG GLN A 271 13.130 6.847 45.874 1.00 96.36 C +ATOM 2081 CD GLN A 271 12.455 6.347 47.132 1.00101.30 C +ATOM 2082 OE1 GLN A 271 11.620 5.445 47.088 1.00100.76 O +ATOM 2083 NE2 GLN A 271 12.829 6.923 48.266 1.00106.95 N +ATOM 2084 N ALA A 272 15.791 6.886 44.036 1.00 77.68 N +ATOM 2085 CA ALA A 272 17.211 6.600 44.225 1.00 80.47 C +ATOM 2086 C ALA A 272 17.435 5.312 45.007 1.00 80.61 C +ATOM 2087 O ALA A 272 16.898 5.136 46.105 1.00 87.92 O +ATOM 2088 CB ALA A 272 17.885 7.775 44.935 1.00 83.46 C +ATOM 2089 N GLY A 273 18.206 4.398 44.420 1.00 70.64 N +ATOM 2090 CA GLY A 273 18.562 3.154 45.073 1.00 66.15 C +ATOM 2091 C GLY A 273 17.511 2.070 45.033 1.00 63.35 C +ATOM 2092 O GLY A 273 17.669 1.057 45.718 1.00 65.12 O +ATOM 2093 N THR A 274 16.453 2.235 44.235 1.00 64.26 N +ATOM 2094 CA THR A 274 15.382 1.248 44.135 1.00 66.99 C +ATOM 2095 C THR A 274 15.259 0.669 42.727 1.00 63.03 C +ATOM 2096 O THR A 274 14.233 0.060 42.404 1.00 60.06 O +ATOM 2097 CB THR A 274 14.039 1.840 44.565 1.00 65.22 C +ATOM 2098 OG1 THR A 274 13.597 2.789 43.583 1.00 67.93 O +ATOM 2099 CG2 THR A 274 14.162 2.533 45.923 1.00 72.23 C +ATOM 2100 N THR A 275 16.269 0.854 41.879 1.00 60.02 N +ATOM 2101 CA THR A 275 16.186 0.330 40.523 1.00 58.24 C +ATOM 2102 C THR A 275 15.920 -1.170 40.597 1.00 56.12 C +ATOM 2103 O THR A 275 16.635 -1.886 41.307 1.00 62.15 O +ATOM 2104 CB THR A 275 17.476 0.593 39.744 1.00 58.24 C +ATOM 2105 OG1 THR A 275 17.806 1.985 39.807 1.00 55.64 O +ATOM 2106 CG2 THR A 275 17.320 0.175 38.277 1.00 51.11 C +ATOM 2107 N PRO A 276 14.884 -1.669 39.933 1.00 52.75 N +ATOM 2108 CA PRO A 276 14.534 -3.097 39.999 1.00 53.63 C +ATOM 2109 C PRO A 276 15.357 -3.945 39.031 1.00 50.29 C +ATOM 2110 O PRO A 276 14.832 -4.542 38.088 1.00 51.90 O +ATOM 2111 CB PRO A 276 13.043 -3.073 39.637 1.00 50.57 C +ATOM 2112 CG PRO A 276 12.980 -1.979 38.599 1.00 54.36 C +ATOM 2113 CD PRO A 276 13.912 -0.904 39.129 1.00 54.47 C +ATOM 2114 N TRP A 277 16.669 -4.003 39.273 1.00 48.53 N +ATOM 2115 CA TRP A 277 17.576 -4.741 38.392 1.00 51.19 C +ATOM 2116 C TRP A 277 17.096 -6.165 38.140 1.00 48.78 C +ATOM 2117 O TRP A 277 17.228 -6.685 37.024 1.00 47.17 O +ATOM 2118 CB TRP A 277 18.987 -4.761 38.986 1.00 47.88 C +ATOM 2119 CG TRP A 277 19.601 -3.399 39.121 1.00 53.51 C +ATOM 2120 CD1 TRP A 277 19.917 -2.753 40.285 1.00 56.09 C +ATOM 2121 CD2 TRP A 277 19.996 -2.520 38.055 1.00 53.48 C +ATOM 2122 NE1 TRP A 277 20.478 -1.525 40.008 1.00 54.67 N +ATOM 2123 CE2 TRP A 277 20.535 -1.355 38.651 1.00 53.12 C +ATOM 2124 CE3 TRP A 277 19.944 -2.603 36.658 1.00 48.81 C +ATOM 2125 CZ2 TRP A 277 21.019 -0.285 37.898 1.00 55.92 C +ATOM 2126 CZ3 TRP A 277 20.428 -1.538 35.909 1.00 54.30 C +ATOM 2127 CH2 TRP A 277 20.956 -0.394 36.533 1.00 58.27 C +ATOM 2128 N ASN A 278 16.530 -6.805 39.167 1.00 47.70 N +ATOM 2129 CA ASN A 278 16.168 -8.220 39.090 1.00 49.24 C +ATOM 2130 C ASN A 278 15.182 -8.515 37.967 1.00 47.03 C +ATOM 2131 O ASN A 278 15.130 -9.647 37.475 1.00 46.30 O +ATOM 2132 CB ASN A 278 15.583 -8.682 40.433 1.00 53.06 C +ATOM 2133 CG ASN A 278 14.207 -8.066 40.728 1.00 58.82 C +ATOM 2134 OD1 ASN A 278 13.237 -8.776 41.008 1.00 65.98 O +ATOM 2135 ND2 ASN A 278 14.125 -6.740 40.668 1.00 51.65 N +ATOM 2136 N ILE A 279 14.378 -7.531 37.558 1.00 45.18 N +ATOM 2137 CA ILE A 279 13.393 -7.798 36.508 1.00 49.00 C +ATOM 2138 C ILE A 279 13.975 -7.705 35.108 1.00 48.70 C +ATOM 2139 O ILE A 279 13.270 -8.032 34.144 1.00 48.89 O +ATOM 2140 CB ILE A 279 12.165 -6.869 36.592 1.00 50.94 C +ATOM 2141 CG1 ILE A 279 12.539 -5.434 36.231 1.00 46.21 C +ATOM 2142 CG2 ILE A 279 11.553 -6.935 37.979 1.00 50.37 C +ATOM 2143 CD1 ILE A 279 11.348 -4.486 36.252 1.00 57.63 C +ATOM 2144 N PHE A 280 15.214 -7.162 34.952 1.00 46.63 N +ATOM 2145 CA PHE A 280 15.828 -7.093 33.627 1.00 41.68 C +ATOM 2146 C PHE A 280 16.776 -8.268 33.420 1.00 44.36 C +ATOM 2147 O PHE A 280 17.582 -8.583 34.307 1.00 44.53 O +ATOM 2148 CB PHE A 280 16.569 -5.775 33.446 1.00 41.69 C +ATOM 2149 CG PHE A 280 15.662 -4.585 33.427 1.00 43.96 C +ATOM 2150 CD1 PHE A 280 15.018 -4.204 32.261 1.00 51.62 C +ATOM 2151 CD2 PHE A 280 15.424 -3.864 34.587 1.00 48.46 C +ATOM 2152 CE1 PHE A 280 14.161 -3.107 32.250 1.00 52.27 C +ATOM 2153 CE2 PHE A 280 14.568 -2.769 34.583 1.00 50.72 C +ATOM 2154 CZ PHE A 280 13.937 -2.395 33.414 1.00 51.47 C +ATOM 2155 N PRO A 281 16.714 -8.935 32.279 1.00 38.19 N +ATOM 2156 CA PRO A 281 17.475 -10.172 32.093 1.00 43.14 C +ATOM 2157 C PRO A 281 18.948 -9.926 31.790 1.00 42.76 C +ATOM 2158 O PRO A 281 19.367 -8.828 31.422 1.00 39.89 O +ATOM 2159 CB PRO A 281 16.773 -10.809 30.889 1.00 43.50 C +ATOM 2160 CG PRO A 281 16.344 -9.628 30.091 1.00 44.76 C +ATOM 2161 CD PRO A 281 15.868 -8.627 31.119 1.00 39.90 C +ATOM 2162 N VAL A 282 19.731 -11.012 31.920 1.00 37.94 N +ATOM 2163 CA VAL A 282 21.116 -11.041 31.457 1.00 37.05 C +ATOM 2164 C VAL A 282 21.113 -11.534 30.017 1.00 39.93 C +ATOM 2165 O VAL A 282 20.276 -12.352 29.616 1.00 40.96 O +ATOM 2166 CB VAL A 282 22.007 -11.931 32.353 1.00 40.28 C +ATOM 2167 CG1 VAL A 282 22.006 -11.410 33.785 1.00 38.97 C +ATOM 2168 CG2 VAL A 282 21.524 -13.377 32.317 1.00 44.89 C +ATOM 2169 N ILE A 283 22.059 -11.036 29.226 1.00 34.66 N +ATOM 2170 CA ILE A 283 22.197 -11.403 27.823 1.00 33.59 C +ATOM 2171 C ILE A 283 23.528 -12.108 27.663 1.00 39.17 C +ATOM 2172 O ILE A 283 24.568 -11.565 28.055 1.00 39.34 O +ATOM 2173 CB ILE A 283 22.127 -10.167 26.904 1.00 36.14 C +ATOM 2174 CG1 ILE A 283 20.780 -9.464 27.057 1.00 38.68 C +ATOM 2175 CG2 ILE A 283 22.366 -10.553 25.445 1.00 32.29 C +ATOM 2176 CD1 ILE A 283 20.713 -8.134 26.339 1.00 44.65 C +ATOM 2177 N SER A 284 23.505 -13.297 27.068 1.00 34.88 N +ATOM 2178 CA SER A 284 24.729 -14.051 26.806 1.00 36.93 C +ATOM 2179 C SER A 284 24.991 -14.050 25.308 1.00 38.67 C +ATOM 2180 O SER A 284 24.150 -14.520 24.524 1.00 40.66 O +ATOM 2181 CB SER A 284 24.635 -15.482 27.334 1.00 37.46 C +ATOM 2182 OG SER A 284 24.805 -15.501 28.738 1.00 41.36 O +ATOM 2183 N LEU A 285 26.144 -13.510 24.915 1.00 35.93 N +ATOM 2184 CA LEU A 285 26.627 -13.597 23.542 1.00 37.52 C +ATOM 2185 C LEU A 285 27.702 -14.674 23.473 1.00 37.69 C +ATOM 2186 O LEU A 285 28.727 -14.584 24.166 1.00 34.09 O +ATOM 2187 CB LEU A 285 27.187 -12.254 23.064 1.00 35.22 C +ATOM 2188 CG LEU A 285 26.251 -11.047 23.222 1.00 44.61 C +ATOM 2189 CD1 LEU A 285 26.919 -9.775 22.704 1.00 42.74 C +ATOM 2190 CD2 LEU A 285 24.944 -11.301 22.478 1.00 38.30 C +ATOM 2191 N TYR A 286 27.463 -15.693 22.650 1.00 35.68 N +ATOM 2192 CA TYR A 286 28.455 -16.729 22.411 1.00 35.35 C +ATOM 2193 C TYR A 286 29.262 -16.380 21.170 1.00 36.55 C +ATOM 2194 O TYR A 286 28.695 -16.150 20.089 1.00 31.07 O +ATOM 2195 CB TYR A 286 27.800 -18.094 22.243 1.00 29.27 C +ATOM 2196 CG TYR A 286 27.144 -18.615 23.501 1.00 32.50 C +ATOM 2197 CD1 TYR A 286 26.004 -17.994 24.027 1.00 33.44 C +ATOM 2198 CD2 TYR A 286 27.619 -19.760 24.131 1.00 37.26 C +ATOM 2199 CE1 TYR A 286 25.382 -18.494 25.173 1.00 37.02 C +ATOM 2200 CE2 TYR A 286 27.000 -20.272 25.266 1.00 34.56 C +ATOM 2201 CZ TYR A 286 25.887 -19.638 25.784 1.00 37.50 C +ATOM 2202 OH TYR A 286 25.272 -20.151 26.916 1.00 38.48 O +ATOM 2203 N LEU A 287 30.580 -16.394 21.320 1.00 30.93 N +ATOM 2204 CA LEU A 287 31.503 -16.062 20.251 1.00 32.27 C +ATOM 2205 C LEU A 287 32.252 -17.303 19.794 1.00 32.88 C +ATOM 2206 O LEU A 287 32.559 -18.187 20.598 1.00 29.52 O +ATOM 2207 CB LEU A 287 32.494 -14.971 20.706 1.00 32.92 C +ATOM 2208 CG LEU A 287 31.818 -13.650 21.095 1.00 38.43 C +ATOM 2209 CD1 LEU A 287 32.804 -12.680 21.724 1.00 37.46 C +ATOM 2210 CD2 LEU A 287 31.219 -13.013 19.853 1.00 44.23 C +ATOM 2211 N MET A 288 32.541 -17.355 18.483 1.00 29.31 N +ATOM 2212 CA MET A 288 33.368 -18.420 17.929 1.00 31.56 C +ATOM 2213 C MET A 288 34.699 -18.484 18.664 1.00 31.21 C +ATOM 2214 O MET A 288 35.304 -17.454 18.952 1.00 30.18 O +ATOM 2215 CB MET A 288 33.621 -18.170 16.443 1.00 28.68 C +ATOM 2216 CG MET A 288 34.556 -19.173 15.785 1.00 32.65 C +ATOM 2217 SD MET A 288 34.839 -18.796 14.021 1.00 40.77 S +ATOM 2218 CE MET A 288 33.295 -19.344 13.325 1.00 37.81 C +ATOM 2219 N GLY A 289 35.133 -19.708 18.977 1.00 28.59 N +ATOM 2220 CA GLY A 289 36.342 -19.950 19.742 1.00 33.85 C +ATOM 2221 C GLY A 289 37.549 -20.211 18.866 1.00 33.05 C +ATOM 2222 O GLY A 289 37.539 -19.987 17.655 1.00 30.49 O +ATOM 2223 N GLU A 290 38.640 -20.617 19.524 1.00 29.63 N +ATOM 2224 CA GLU A 290 39.896 -20.909 18.844 1.00 32.34 C +ATOM 2225 C GLU A 290 40.050 -22.346 18.361 1.00 35.33 C +ATOM 2226 O GLU A 290 40.869 -22.585 17.474 1.00 35.50 O +ATOM 2227 CB GLU A 290 41.077 -20.550 19.750 1.00 28.77 C +ATOM 2228 CG GLU A 290 41.170 -19.069 20.053 1.00 36.26 C +ATOM 2229 CD GLU A 290 42.435 -18.736 20.838 1.00 43.99 C +ATOM 2230 OE1 GLU A 290 42.442 -18.937 22.084 1.00 36.87 O +ATOM 2231 OE2 GLU A 290 43.415 -18.280 20.212 1.00 41.95 O1- +ATOM 2232 N VAL A 291 39.330 -23.315 18.918 1.00 29.17 N +ATOM 2233 CA VAL A 291 39.473 -24.704 18.492 1.00 31.35 C +ATOM 2234 C VAL A 291 38.163 -25.196 17.870 1.00 29.97 C +ATOM 2235 O VAL A 291 37.122 -24.552 17.963 1.00 30.61 O +ATOM 2236 CB VAL A 291 39.952 -25.631 19.634 1.00 35.17 C +ATOM 2237 CG1 VAL A 291 41.238 -25.070 20.289 1.00 32.64 C +ATOM 2238 CG2 VAL A 291 38.893 -25.806 20.704 1.00 35.77 C +ATOM 2239 N THR A 292 38.257 -26.327 17.167 1.00 34.60 N +ATOM 2240 CA THR A 292 37.138 -26.832 16.377 1.00 35.39 C +ATOM 2241 C THR A 292 35.908 -27.023 17.263 1.00 32.93 C +ATOM 2242 O THR A 292 35.999 -27.563 18.368 1.00 33.96 O +ATOM 2243 CB THR A 292 37.536 -28.167 15.723 1.00 39.13 C +ATOM 2244 OG1 THR A 292 38.646 -27.960 14.840 1.00 34.90 O +ATOM 2245 CG2 THR A 292 36.375 -28.784 14.930 1.00 38.21 C +ATOM 2246 N ASN A 293 34.752 -26.554 16.777 1.00 30.35 N +ATOM 2247 CA ASN A 293 33.462 -26.762 17.445 1.00 28.80 C +ATOM 2248 C ASN A 293 33.449 -26.197 18.870 1.00 35.63 C +ATOM 2249 O ASN A 293 32.697 -26.662 19.729 1.00 33.34 O +ATOM 2250 CB ASN A 293 33.064 -28.240 17.443 1.00 31.71 C +ATOM 2251 CG ASN A 293 32.724 -28.739 16.038 1.00 40.61 C +ATOM 2252 OD1 ASN A 293 32.406 -27.951 15.143 1.00 41.04 O +ATOM 2253 ND2 ASN A 293 32.788 -30.042 15.846 1.00 37.90 N +ATOM 2254 N GLN A 294 34.287 -25.201 19.153 1.00 33.70 N +ATOM 2255 CA GLN A 294 34.366 -24.623 20.492 1.00 29.39 C +ATOM 2256 C GLN A 294 34.054 -23.139 20.454 1.00 27.82 C +ATOM 2257 O GLN A 294 34.559 -22.406 19.597 1.00 32.21 O +ATOM 2258 CB GLN A 294 35.750 -24.839 21.102 1.00 30.56 C +ATOM 2259 CG GLN A 294 36.002 -24.062 22.411 1.00 29.69 C +ATOM 2260 CD GLN A 294 36.731 -22.745 22.190 1.00 32.65 C +ATOM 2261 OE1 GLN A 294 37.667 -22.671 21.391 1.00 30.69 O +ATOM 2262 NE2 GLN A 294 36.304 -21.698 22.898 1.00 26.67 N +ATOM 2263 N SER A 295 33.255 -22.696 21.419 1.00 30.54 N +ATOM 2264 CA SER A 295 32.889 -21.299 21.574 1.00 30.58 C +ATOM 2265 C SER A 295 33.029 -20.925 23.045 1.00 34.49 C +ATOM 2266 O SER A 295 33.409 -21.754 23.879 1.00 33.03 O +ATOM 2267 CB SER A 295 31.453 -21.066 21.080 1.00 28.78 C +ATOM 2268 OG SER A 295 30.530 -21.792 21.901 1.00 34.72 O +ATOM 2269 N PHE A 296 32.719 -19.666 23.359 1.00 32.86 N +ATOM 2270 CA PHE A 296 32.667 -19.195 24.740 1.00 30.97 C +ATOM 2271 C PHE A 296 31.601 -18.116 24.797 1.00 34.13 C +ATOM 2272 O PHE A 296 31.121 -17.640 23.765 1.00 33.47 O +ATOM 2273 CB PHE A 296 34.020 -18.647 25.250 1.00 30.44 C +ATOM 2274 CG PHE A 296 34.488 -17.392 24.546 1.00 28.19 C +ATOM 2275 CD1 PHE A 296 34.195 -16.134 25.062 1.00 28.53 C +ATOM 2276 CD2 PHE A 296 35.214 -17.475 23.368 1.00 28.35 C +ATOM 2277 CE1 PHE A 296 34.623 -14.982 24.428 1.00 29.63 C +ATOM 2278 CE2 PHE A 296 35.660 -16.317 22.712 1.00 33.77 C +ATOM 2279 CZ PHE A 296 35.362 -15.068 23.255 1.00 30.33 C +ATOM 2280 N ARG A 297 31.201 -17.736 26.006 1.00 26.24 N +ATOM 2281 CA ARG A 297 30.188 -16.701 26.106 1.00 33.45 C +ATOM 2282 C ARG A 297 30.664 -15.566 26.999 1.00 35.20 C +ATOM 2283 O ARG A 297 31.490 -15.747 27.900 1.00 35.04 O +ATOM 2284 CB ARG A 297 28.852 -17.244 26.636 1.00 36.14 C +ATOM 2285 CG ARG A 297 28.834 -17.531 28.127 1.00 39.52 C +ATOM 2286 CD ARG A 297 27.607 -18.357 28.502 1.00 44.95 C +ATOM 2287 NE ARG A 297 27.469 -18.542 29.950 1.00 47.20 N +ATOM 2288 CZ ARG A 297 26.646 -19.421 30.524 1.00 53.73 C +ATOM 2289 NH1 ARG A 297 25.892 -20.239 29.779 1.00 49.14 N +ATOM 2290 NH2 ARG A 297 26.587 -19.493 31.848 1.00 49.60 N1+ +ATOM 2291 N ILE A 298 30.156 -14.384 26.694 1.00 33.97 N +ATOM 2292 CA ILE A 298 30.238 -13.220 27.560 1.00 34.14 C +ATOM 2293 C ILE A 298 28.815 -12.880 27.985 1.00 38.39 C +ATOM 2294 O ILE A 298 27.883 -12.941 27.173 1.00 35.97 O +ATOM 2295 CB ILE A 298 30.913 -12.018 26.867 1.00 35.59 C +ATOM 2296 CG1 ILE A 298 30.083 -11.542 25.670 1.00 41.07 C +ATOM 2297 CG2 ILE A 298 32.321 -12.402 26.361 1.00 31.25 C +ATOM 2298 CD1 ILE A 298 30.711 -10.365 24.919 1.00 50.51 C +ATOM 2299 N THR A 299 28.633 -12.570 29.261 1.00 37.47 N +ATOM 2300 CA THR A 299 27.310 -12.297 29.803 1.00 34.88 C +ATOM 2301 C THR A 299 27.214 -10.832 30.207 1.00 44.40 C +ATOM 2302 O THR A 299 28.084 -10.320 30.924 1.00 43.34 O +ATOM 2303 CB THR A 299 27.001 -13.231 30.975 1.00 42.71 C +ATOM 2304 OG1 THR A 299 26.932 -14.579 30.477 1.00 51.14 O +ATOM 2305 CG2 THR A 299 25.663 -12.882 31.597 1.00 49.15 C +ATOM 2306 N ILE A 300 26.144 -10.178 29.755 1.00 35.10 N +ATOM 2307 CA ILE A 300 25.907 -8.751 29.933 1.00 40.06 C +ATOM 2308 C ILE A 300 24.810 -8.584 30.971 1.00 43.38 C +ATOM 2309 O ILE A 300 23.731 -9.172 30.834 1.00 44.40 O +ATOM 2310 CB ILE A 300 25.493 -8.113 28.593 1.00 39.95 C +ATOM 2311 CG1 ILE A 300 26.334 -8.709 27.448 1.00 48.18 C +ATOM 2312 CG2 ILE A 300 25.554 -6.601 28.619 1.00 41.35 C +ATOM 2313 CD1 ILE A 300 27.808 -8.416 27.605 1.00 45.94 C +ATOM 2314 N LEU A 301 25.080 -7.776 32.009 1.00 43.50 N +ATOM 2315 CA LEU A 301 24.089 -7.478 33.032 1.00 42.18 C +ATOM 2316 C LEU A 301 23.263 -6.270 32.626 1.00 43.71 C +ATOM 2317 O LEU A 301 23.715 -5.436 31.827 1.00 41.13 O +ATOM 2318 CB LEU A 301 24.770 -7.215 34.376 1.00 46.17 C +ATOM 2319 CG LEU A 301 25.548 -8.343 35.052 1.00 50.09 C +ATOM 2320 CD1 LEU A 301 26.028 -7.921 36.418 1.00 51.70 C +ATOM 2321 CD2 LEU A 301 24.646 -9.523 35.203 1.00 52.28 C +ATOM 2322 N PRO A 302 22.049 -6.127 33.172 1.00 42.14 N +ATOM 2323 CA PRO A 302 21.272 -4.919 32.870 1.00 43.74 C +ATOM 2324 C PRO A 302 21.981 -3.647 33.263 1.00 42.63 C +ATOM 2325 O PRO A 302 21.709 -2.598 32.675 1.00 43.78 O +ATOM 2326 CB PRO A 302 19.973 -5.121 33.669 1.00 43.04 C +ATOM 2327 CG PRO A 302 20.338 -6.107 34.733 1.00 44.52 C +ATOM 2328 CD PRO A 302 21.292 -7.045 34.044 1.00 41.87 C +ATOM 2329 N GLN A 303 22.893 -3.700 34.233 1.00 44.52 N +ATOM 2330 CA GLN A 303 23.657 -2.510 34.574 1.00 48.67 C +ATOM 2331 C GLN A 303 24.499 -2.002 33.409 1.00 52.20 C +ATOM 2332 O GLN A 303 24.914 -0.836 33.423 1.00 49.25 O +ATOM 2333 CB GLN A 303 24.532 -2.786 35.793 1.00 50.11 C +ATOM 2334 CG GLN A 303 23.737 -2.903 37.096 1.00 46.45 C +ATOM 2335 CD GLN A 303 23.287 -4.325 37.395 1.00 46.48 C +ATOM 2336 OE1 GLN A 303 23.251 -5.188 36.512 1.00 48.30 O +ATOM 2337 NE2 GLN A 303 22.913 -4.567 38.645 1.00 45.53 N +ATOM 2338 N GLN A 304 24.707 -2.820 32.377 1.00 44.86 N +ATOM 2339 CA GLN A 304 25.429 -2.370 31.198 1.00 43.32 C +ATOM 2340 C GLN A 304 24.508 -1.799 30.132 1.00 43.76 C +ATOM 2341 O GLN A 304 24.858 -0.802 29.494 1.00 45.47 O +ATOM 2342 CB GLN A 304 26.232 -3.524 30.597 1.00 43.52 C +ATOM 2343 CG GLN A 304 27.501 -3.865 31.348 1.00 50.08 C +ATOM 2344 CD GLN A 304 27.961 -5.272 31.044 1.00 59.36 C +ATOM 2345 OE1 GLN A 304 27.558 -6.232 31.716 1.00 60.74 O +ATOM 2346 NE2 GLN A 304 28.750 -5.415 29.977 1.00 54.77 N +ATOM 2347 N TYR A 305 23.349 -2.405 29.882 1.00 41.98 N +ATOM 2348 CA TYR A 305 22.523 -1.929 28.779 1.00 40.16 C +ATOM 2349 C TYR A 305 21.428 -0.964 29.220 1.00 42.23 C +ATOM 2350 O TYR A 305 20.613 -0.551 28.393 1.00 46.94 O +ATOM 2351 CB TYR A 305 21.944 -3.103 27.994 1.00 37.64 C +ATOM 2352 CG TYR A 305 20.994 -4.020 28.733 1.00 36.45 C +ATOM 2353 CD1 TYR A 305 19.671 -3.630 28.988 1.00 34.87 C +ATOM 2354 CD2 TYR A 305 21.377 -5.313 29.078 1.00 39.29 C +ATOM 2355 CE1 TYR A 305 18.776 -4.491 29.629 1.00 40.43 C +ATOM 2356 CE2 TYR A 305 20.490 -6.183 29.720 1.00 42.68 C +ATOM 2357 CZ TYR A 305 19.188 -5.759 29.991 1.00 44.64 C +ATOM 2358 OH TYR A 305 18.309 -6.608 30.619 1.00 42.11 O +ATOM 2359 N LEU A 306 21.424 -0.567 30.488 1.00 44.79 N +ATOM 2360 CA LEU A 306 20.582 0.513 30.994 1.00 51.93 C +ATOM 2361 C LEU A 306 21.592 1.565 31.425 1.00 51.48 C +ATOM 2362 O LEU A 306 22.148 1.495 32.522 1.00 50.41 O +ATOM 2363 CB LEU A 306 19.672 0.093 32.149 1.00 52.93 C +ATOM 2364 CG LEU A 306 18.543 -0.882 31.818 1.00 56.38 C +ATOM 2365 CD1 LEU A 306 17.666 -1.116 33.037 1.00 61.74 C +ATOM 2366 CD2 LEU A 306 17.713 -0.366 30.660 1.00 53.06 C +ATOM 2367 N ARG A 307 21.872 2.501 30.532 1.00 50.04 N +ATOM 2368 CA ARG A 307 22.925 3.465 30.789 1.00 49.44 C +ATOM 2369 C ARG A 307 22.386 4.561 31.694 1.00 50.22 C +ATOM 2370 O ARG A 307 21.327 5.129 31.404 1.00 50.43 O +ATOM 2371 CB ARG A 307 23.421 4.068 29.476 1.00 49.49 C +ATOM 2372 CG ARG A 307 24.560 5.071 29.619 1.00 51.89 C +ATOM 2373 CD ARG A 307 25.152 5.438 28.266 1.00 50.89 C +ATOM 2374 NE ARG A 307 24.171 6.058 27.369 1.00 53.87 N +ATOM 2375 CZ ARG A 307 23.854 7.350 27.372 1.00 57.45 C +ATOM 2376 NH1 ARG A 307 24.449 8.190 28.215 1.00 56.74 N +ATOM 2377 NH2 ARG A 307 22.950 7.807 26.515 1.00 57.24 N1+ +ATOM 2378 N PRO A 308 23.076 4.890 32.781 1.00 49.95 N +ATOM 2379 CA PRO A 308 22.571 5.942 33.662 1.00 53.31 C +ATOM 2380 C PRO A 308 22.702 7.292 32.982 1.00 60.34 C +ATOM 2381 O PRO A 308 23.700 7.587 32.319 1.00 61.33 O +ATOM 2382 CB PRO A 308 23.467 5.826 34.901 1.00 58.56 C +ATOM 2383 CG PRO A 308 24.761 5.301 34.340 1.00 59.91 C +ATOM 2384 CD PRO A 308 24.326 4.299 33.294 1.00 50.37 C +ATOM 2385 N VAL A 309 21.672 8.106 33.128 1.00 63.61 N +ATOM 2386 CA VAL A 309 21.667 9.441 32.553 1.00 72.70 C +ATOM 2387 C VAL A 309 21.371 10.393 33.697 1.00 85.80 C +ATOM 2388 O VAL A 309 20.488 10.128 34.522 1.00 82.92 O +ATOM 2389 CB VAL A 309 20.622 9.570 31.424 1.00 70.51 C +ATOM 2390 CG1 VAL A 309 20.236 11.023 31.184 1.00 76.19 C +ATOM 2391 CG2 VAL A 309 21.122 8.909 30.145 1.00 67.04 C +ATOM 2392 N GLU A 310 22.094 11.506 33.744 1.00 98.77 N +ATOM 2393 CA GLU A 310 21.895 12.428 34.847 1.00110.07 C +ATOM 2394 C GLU A 310 20.525 13.085 34.716 1.00117.52 C +ATOM 2395 O GLU A 310 20.190 13.647 33.668 1.00112.00 O +ATOM 2396 CB GLU A 310 22.998 13.479 34.912 1.00113.25 C +ATOM 2397 CG GLU A 310 22.820 14.312 36.160 1.00118.94 C +ATOM 2398 CD GLU A 310 23.111 13.481 37.419 1.00122.41 C +ATOM 2399 OE1 GLU A 310 23.709 12.379 37.300 1.00121.74 O +ATOM 2400 OE2 GLU A 310 22.616 13.845 38.503 1.00123.60 O1- +ATOM 2401 N ASP A 311 19.742 13.031 35.793 1.00131.47 N +ATOM 2402 CA ASP A 311 18.379 13.559 35.795 1.00143.24 C +ATOM 2403 C ASP A 311 18.446 15.078 35.734 1.00149.94 C +ATOM 2404 O ASP A 311 18.903 15.724 36.680 1.00151.41 O +ATOM 2405 CB ASP A 311 17.642 13.071 37.045 1.00146.49 C +ATOM 2406 CG ASP A 311 16.180 13.486 37.078 1.00148.07 C +ATOM 2407 OD1 ASP A 311 15.687 14.075 36.088 1.00147.87 O +ATOM 2408 OD2 ASP A 311 15.518 13.200 38.094 1.00148.24 O1- +ATOM 2409 N VAL A 312 17.992 15.646 34.612 1.00152.50 N +ATOM 2410 CA VAL A 312 18.112 17.088 34.396 1.00151.70 C +ATOM 2411 C VAL A 312 17.281 17.869 35.412 1.00152.53 C +ATOM 2412 O VAL A 312 17.710 18.923 35.903 1.00154.26 O +ATOM 2413 CB VAL A 312 17.717 17.437 32.947 1.00146.40 C +ATOM 2414 CG1 VAL A 312 18.816 17.013 31.982 1.00141.51 C +ATOM 2415 CG2 VAL A 312 16.395 16.767 32.570 1.00144.49 C +ATOM 2416 N ALA A 313 16.081 17.383 35.732 1.00148.21 N +ATOM 2417 CA ALA A 313 15.215 18.033 36.711 1.00141.73 C +ATOM 2418 C ALA A 313 15.802 17.926 38.114 1.00142.17 C +ATOM 2419 O ALA A 313 16.923 18.375 38.373 1.00139.06 O +ATOM 2420 CB ALA A 313 13.809 17.431 36.670 1.00136.54 C +ATOM 2421 N THR A 314 15.039 17.332 39.028 1.00146.96 N +ATOM 2422 CA THR A 314 15.482 17.120 40.404 1.00149.60 C +ATOM 2423 C THR A 314 16.219 15.787 40.447 1.00149.32 C +ATOM 2424 O THR A 314 15.595 14.722 40.446 1.00147.78 O +ATOM 2425 CB THR A 314 14.306 17.130 41.374 1.00149.66 C +ATOM 2426 OG1 THR A 314 13.409 16.056 41.058 1.00148.74 O +ATOM 2427 CG2 THR A 314 13.557 18.453 41.300 1.00150.30 C +ATOM 2428 N SER A 315 17.551 15.838 40.487 1.00149.05 N +ATOM 2429 CA SER A 315 18.360 14.624 40.463 1.00145.96 C +ATOM 2430 C SER A 315 18.159 13.823 41.745 1.00141.22 C +ATOM 2431 O SER A 315 19.120 13.498 42.452 1.00142.80 O +ATOM 2432 CB SER A 315 19.840 14.965 40.260 1.00145.88 C +ATOM 2433 OG SER A 315 20.073 15.443 38.946 1.00144.62 O +ATOM 2434 N GLN A 316 16.902 13.499 42.037 1.00132.72 N +ATOM 2435 CA GLN A 316 16.506 12.717 43.198 1.00123.01 C +ATOM 2436 C GLN A 316 16.281 11.257 42.838 1.00116.05 C +ATOM 2437 O GLN A 316 16.417 10.379 43.698 1.00114.54 O +ATOM 2438 CB GLN A 316 15.216 13.303 43.788 1.00120.74 C +ATOM 2439 CG GLN A 316 14.764 12.734 45.123 1.00120.44 C +ATOM 2440 CD GLN A 316 15.699 13.101 46.259 1.00120.78 C +ATOM 2441 OE1 GLN A 316 16.112 14.256 46.386 1.00120.24 O +ATOM 2442 NE2 GLN A 316 16.020 12.129 47.102 1.00121.30 N +ATOM 2443 N ASP A 317 15.931 11.001 41.581 1.00109.45 N +ATOM 2444 CA ASP A 317 15.705 9.683 41.009 1.00102.13 C +ATOM 2445 C ASP A 317 16.962 9.165 40.311 1.00 94.04 C +ATOM 2446 O ASP A 317 17.876 9.923 39.980 1.00 94.41 O +ATOM 2447 CB ASP A 317 14.551 9.748 40.007 1.00101.07 C +ATOM 2448 CG ASP A 317 13.223 10.062 40.667 1.00102.26 C +ATOM 2449 OD1 ASP A 317 13.000 9.625 41.815 1.00102.28 O +ATOM 2450 OD2 ASP A 317 12.407 10.763 40.038 1.00103.45 O1- +ATOM 2451 N ASP A 318 17.006 7.848 40.108 1.00 85.09 N +ATOM 2452 CA ASP A 318 18.010 7.203 39.261 1.00 76.86 C +ATOM 2453 C ASP A 318 17.360 6.972 37.899 1.00 62.64 C +ATOM 2454 O ASP A 318 16.374 6.236 37.798 1.00 64.46 O +ATOM 2455 CB ASP A 318 18.508 5.894 39.873 1.00 80.48 C +ATOM 2456 CG ASP A 318 19.430 6.114 41.061 1.00 81.80 C +ATOM 2457 OD1 ASP A 318 19.546 5.204 41.906 1.00 81.19 O +ATOM 2458 OD2 ASP A 318 20.005 7.216 41.176 1.00 83.26 O1- +ATOM 2459 N CYS A 319 17.879 7.634 36.864 1.00 55.26 N +ATOM 2460 CA CYS A 319 17.296 7.584 35.532 1.00 56.75 C +ATOM 2461 C CYS A 319 18.249 6.907 34.551 1.00 57.02 C +ATOM 2462 O CYS A 319 19.476 6.987 34.680 1.00 57.24 O +ATOM 2463 CB CYS A 319 16.921 8.992 35.040 1.00 64.58 C +ATOM 2464 SG CYS A 319 15.713 9.933 36.084 1.00 67.70 S +ATOM 2465 N TYR A 320 17.664 6.214 33.578 1.00 49.94 N +ATOM 2466 CA TYR A 320 18.426 5.372 32.668 1.00 49.62 C +ATOM 2467 C TYR A 320 17.842 5.452 31.268 1.00 48.23 C +ATOM 2468 O TYR A 320 16.670 5.787 31.068 1.00 53.61 O +ATOM 2469 CB TYR A 320 18.448 3.902 33.130 1.00 52.22 C +ATOM 2470 CG TYR A 320 18.876 3.691 34.569 1.00 54.06 C +ATOM 2471 CD1 TYR A 320 17.951 3.733 35.608 1.00 57.04 C +ATOM 2472 CD2 TYR A 320 20.207 3.427 34.888 1.00 50.07 C +ATOM 2473 CE1 TYR A 320 18.334 3.533 36.927 1.00 59.76 C +ATOM 2474 CE2 TYR A 320 20.598 3.233 36.208 1.00 51.03 C +ATOM 2475 CZ TYR A 320 19.660 3.277 37.222 1.00 56.33 C +ATOM 2476 OH TYR A 320 20.037 3.081 38.536 1.00 59.54 O +ATOM 2477 N LYS A 321 18.690 5.150 30.300 1.00 48.31 N +ATOM 2478 CA LYS A 321 18.286 5.020 28.913 1.00 50.09 C +ATOM 2479 C LYS A 321 18.581 3.594 28.451 1.00 48.01 C +ATOM 2480 O LYS A 321 19.593 3.013 28.836 1.00 45.03 O +ATOM 2481 CB LYS A 321 19.019 6.044 28.049 1.00 50.74 C +ATOM 2482 CG LYS A 321 18.623 6.025 26.579 1.00 73.44 C +ATOM 2483 CD LYS A 321 19.474 7.048 25.827 1.00 88.38 C +ATOM 2484 CE LYS A 321 19.148 7.162 24.367 1.00 94.32 C +ATOM 2485 NZ LYS A 321 19.475 5.968 23.570 1.00 99.72 N1+ +ATOM 2486 N PHE A 322 17.678 3.027 27.652 1.00 47.91 N +ATOM 2487 CA PHE A 322 17.867 1.704 27.053 1.00 44.54 C +ATOM 2488 C PHE A 322 18.978 1.787 26.009 1.00 46.77 C +ATOM 2489 O PHE A 322 18.834 2.485 25.003 1.00 45.42 O +ATOM 2490 CB PHE A 322 16.546 1.237 26.446 1.00 46.68 C +ATOM 2491 CG PHE A 322 16.527 -0.204 26.013 1.00 41.80 C +ATOM 2492 CD1 PHE A 322 16.859 -1.216 26.895 1.00 41.52 C +ATOM 2493 CD2 PHE A 322 16.108 -0.539 24.734 1.00 40.16 C +ATOM 2494 CE1 PHE A 322 16.813 -2.539 26.502 1.00 39.23 C +ATOM 2495 CE2 PHE A 322 16.057 -1.862 24.331 1.00 39.20 C +ATOM 2496 CZ PHE A 322 16.409 -2.862 25.212 1.00 35.08 C +ATOM 2497 N ALA A 323 20.108 1.118 26.262 1.00 44.05 N +ATOM 2498 CA ALA A 323 21.289 1.220 25.411 1.00 42.92 C +ATOM 2499 C ALA A 323 21.431 0.038 24.452 1.00 43.78 C +ATOM 2500 O ALA A 323 22.548 -0.335 24.084 1.00 39.41 O +ATOM 2501 CB ALA A 323 22.549 1.353 26.270 1.00 38.01 C +ATOM 2502 N ILE A 324 20.314 -0.544 24.032 1.00 42.77 N +ATOM 2503 CA ILE A 324 20.260 -1.530 22.961 1.00 36.86 C +ATOM 2504 C ILE A 324 19.406 -0.913 21.867 1.00 44.45 C +ATOM 2505 O ILE A 324 18.302 -0.427 22.144 1.00 44.50 O +ATOM 2506 CB ILE A 324 19.666 -2.868 23.427 1.00 38.99 C +ATOM 2507 CG1 ILE A 324 20.481 -3.435 24.590 1.00 38.08 C +ATOM 2508 CG2 ILE A 324 19.602 -3.860 22.251 1.00 36.68 C +ATOM 2509 CD1 ILE A 324 19.996 -4.796 25.094 1.00 34.94 C +ATOM 2510 N SER A 325 19.949 -0.821 20.660 1.00 41.46 N +ATOM 2511 CA SER A 325 19.211 -0.176 19.584 1.00 41.95 C +ATOM 2512 C SER A 325 19.336 -1.001 18.312 1.00 44.88 C +ATOM 2513 O SER A 325 20.196 -1.882 18.189 1.00 40.28 O +ATOM 2514 CB SER A 325 19.661 1.277 19.361 1.00 47.04 C +ATOM 2515 OG SER A 325 21.055 1.395 19.236 1.00 50.26 O +ATOM 2516 N GLN A 326 18.448 -0.706 17.372 1.00 39.54 N +ATOM 2517 CA GLN A 326 18.357 -1.428 16.116 1.00 44.78 C +ATOM 2518 C GLN A 326 19.440 -0.962 15.153 1.00 41.75 C +ATOM 2519 O GLN A 326 19.850 0.197 15.161 1.00 47.51 O +ATOM 2520 CB GLN A 326 16.975 -1.219 15.496 1.00 47.06 C +ATOM 2521 CG GLN A 326 16.755 -1.914 14.169 1.00 49.57 C +ATOM 2522 CD GLN A 326 15.315 -1.795 13.705 1.00 54.65 C +ATOM 2523 OE1 GLN A 326 14.421 -1.501 14.496 1.00 53.49 O +ATOM 2524 NE2 GLN A 326 15.098 -1.958 12.409 1.00 52.29 N +ATOM 2525 N SER A 327 19.894 -1.879 14.305 1.00 44.10 N +ATOM 2526 CA SER A 327 20.934 -1.588 13.330 1.00 40.66 C +ATOM 2527 C SER A 327 20.514 -2.094 11.961 1.00 41.60 C +ATOM 2528 O SER A 327 19.809 -3.098 11.846 1.00 45.21 O +ATOM 2529 CB SER A 327 22.265 -2.247 13.721 1.00 39.31 C +ATOM 2530 OG SER A 327 23.221 -2.113 12.681 1.00 38.12 O +ATOM 2531 N SER A 328 20.979 -1.409 10.917 1.00 43.15 N +ATOM 2532 CA SER A 328 20.799 -1.891 9.555 1.00 50.18 C +ATOM 2533 C SER A 328 22.128 -2.268 8.919 1.00 48.51 C +ATOM 2534 O SER A 328 22.171 -2.592 7.730 1.00 43.01 O +ATOM 2535 CB SER A 328 20.091 -0.843 8.694 1.00 48.19 C +ATOM 2536 OG SER A 328 20.881 0.329 8.589 1.00 54.05 O +ATOM 2537 N THR A 329 23.221 -2.230 9.688 1.00 46.65 N +ATOM 2538 CA THR A 329 24.548 -2.561 9.183 1.00 39.52 C +ATOM 2539 C THR A 329 25.223 -3.621 10.054 1.00 38.89 C +ATOM 2540 O THR A 329 26.459 -3.670 10.150 1.00 39.88 O +ATOM 2541 CB THR A 329 25.410 -1.306 9.098 1.00 44.25 C +ATOM 2542 OG1 THR A 329 25.454 -0.693 10.394 1.00 49.20 O +ATOM 2543 CG2 THR A 329 24.806 -0.307 8.089 1.00 45.18 C +ATOM 2544 N GLY A 330 24.430 -4.469 10.701 1.00 34.81 N +ATOM 2545 CA GLY A 330 24.953 -5.586 11.461 1.00 35.34 C +ATOM 2546 C GLY A 330 25.048 -5.297 12.950 1.00 40.56 C +ATOM 2547 O GLY A 330 24.694 -4.227 13.449 1.00 37.84 O +ATOM 2548 N THR A 331 25.532 -6.293 13.676 1.00 36.62 N +ATOM 2549 CA THR A 331 25.693 -6.140 15.112 1.00 37.54 C +ATOM 2550 C THR A 331 26.870 -5.219 15.395 1.00 30.89 C +ATOM 2551 O THR A 331 27.884 -5.250 14.696 1.00 31.48 O +ATOM 2552 CB THR A 331 25.890 -7.508 15.776 1.00 37.30 C +ATOM 2553 OG1 THR A 331 24.679 -8.247 15.642 1.00 37.55 O +ATOM 2554 CG2 THR A 331 26.185 -7.377 17.276 1.00 34.55 C +ATOM 2555 N VAL A 332 26.706 -4.357 16.390 1.00 33.18 N +ATOM 2556 CA VAL A 332 27.772 -3.496 16.878 1.00 32.51 C +ATOM 2557 C VAL A 332 27.917 -3.759 18.375 1.00 34.99 C +ATOM 2558 O VAL A 332 27.023 -3.418 19.164 1.00 31.68 O +ATOM 2559 CB VAL A 332 27.487 -2.013 16.606 1.00 35.20 C +ATOM 2560 CG1 VAL A 332 28.666 -1.149 17.086 1.00 35.61 C +ATOM 2561 CG2 VAL A 332 27.233 -1.779 15.136 1.00 33.18 C +ATOM 2562 N MET A 333 29.029 -4.373 18.770 1.00 31.98 N +ATOM 2563 CA MET A 333 29.323 -4.567 20.189 1.00 31.84 C +ATOM 2564 C MET A 333 29.980 -3.275 20.660 1.00 34.49 C +ATOM 2565 O MET A 333 31.191 -3.071 20.522 1.00 34.85 O +ATOM 2566 CB MET A 333 30.203 -5.797 20.400 1.00 29.50 C +ATOM 2567 CG MET A 333 29.459 -7.101 20.118 1.00 38.41 C +ATOM 2568 SD MET A 333 30.511 -8.574 20.030 1.00 43.72 S +ATOM 2569 CE MET A 333 31.056 -8.711 21.717 1.00 38.65 C +ATOM 2570 N GLY A 334 29.153 -2.359 21.156 1.00 33.58 N +ATOM 2571 CA GLY A 334 29.606 -1.036 21.519 1.00 32.97 C +ATOM 2572 C GLY A 334 30.167 -0.980 22.925 1.00 35.50 C +ATOM 2573 O GLY A 334 30.387 -1.999 23.590 1.00 31.51 O +ATOM 2574 N ALA A 335 30.353 0.257 23.393 1.00 32.54 N +ATOM 2575 CA ALA A 335 31.035 0.485 24.666 1.00 44.39 C +ATOM 2576 C ALA A 335 30.325 -0.197 25.827 1.00 45.60 C +ATOM 2577 O ALA A 335 30.980 -0.687 26.750 1.00 53.70 O +ATOM 2578 CB ALA A 335 31.192 1.994 24.926 1.00 41.51 C +ATOM 2579 N VAL A 336 28.989 -0.241 25.814 1.00 45.76 N +ATOM 2580 CA VAL A 336 28.301 -0.868 26.937 1.00 44.59 C +ATOM 2581 C VAL A 336 28.507 -2.377 26.972 1.00 49.95 C +ATOM 2582 O VAL A 336 28.366 -2.988 28.040 1.00 48.64 O +ATOM 2583 CB VAL A 336 26.795 -0.544 26.954 1.00 50.37 C +ATOM 2584 CG1 VAL A 336 26.575 0.966 26.882 1.00 56.83 C +ATOM 2585 CG2 VAL A 336 26.050 -1.300 25.864 1.00 38.93 C +ATOM 2586 N ILE A 337 28.822 -3.001 25.836 1.00 40.24 N +ATOM 2587 CA ILE A 337 29.231 -4.398 25.860 1.00 35.10 C +ATOM 2588 C ILE A 337 30.662 -4.503 26.368 1.00 37.75 C +ATOM 2589 O ILE A 337 30.969 -5.343 27.221 1.00 41.09 O +ATOM 2590 CB ILE A 337 29.076 -5.028 24.461 1.00 44.17 C +ATOM 2591 CG1 ILE A 337 27.602 -5.052 24.047 1.00 52.36 C +ATOM 2592 CG2 ILE A 337 29.675 -6.414 24.414 1.00 47.52 C +ATOM 2593 CD1 ILE A 337 26.700 -5.830 24.987 1.00 53.14 C +ATOM 2594 N MET A 338 31.537 -3.597 25.912 1.00 34.81 N +ATOM 2595 CA MET A 338 32.952 -3.669 26.273 1.00 35.45 C +ATOM 2596 C MET A 338 33.177 -3.326 27.736 1.00 36.98 C +ATOM 2597 O MET A 338 34.100 -3.865 28.358 1.00 37.36 O +ATOM 2598 CB MET A 338 33.768 -2.728 25.378 1.00 35.19 C +ATOM 2599 CG MET A 338 33.733 -3.139 23.899 1.00 36.32 C +ATOM 2600 SD MET A 338 34.684 -2.028 22.874 1.00 34.95 S +ATOM 2601 CE MET A 338 36.330 -2.411 23.496 1.00 32.83 C +ATOM 2602 N GLU A 339 32.362 -2.428 28.290 1.00 35.70 N +ATOM 2603 CA GLU A 339 32.524 -1.998 29.674 1.00 34.63 C +ATOM 2604 C GLU A 339 32.416 -3.191 30.622 1.00 38.34 C +ATOM 2605 O GLU A 339 31.552 -4.060 30.470 1.00 41.91 O +ATOM 2606 CB GLU A 339 31.473 -0.929 30.005 1.00 34.34 C +ATOM 2607 CG GLU A 339 31.869 0.465 29.501 1.00 43.94 C +ATOM 2608 CD GLU A 339 30.774 1.522 29.694 1.00 49.71 C +ATOM 2609 OE1 GLU A 339 31.033 2.696 29.359 1.00 49.47 O +ATOM 2610 OE2 GLU A 339 29.672 1.186 30.181 1.00 50.09 O1- +ATOM 2611 N GLY A 340 33.306 -3.250 31.602 1.00 37.43 N +ATOM 2612 CA GLY A 340 33.287 -4.413 32.464 1.00 45.80 C +ATOM 2613 C GLY A 340 34.049 -5.613 31.929 1.00 45.56 C +ATOM 2614 O GLY A 340 34.125 -6.634 32.621 1.00 40.01 O +ATOM 2615 N PHE A 341 34.592 -5.539 30.714 1.00 37.93 N +ATOM 2616 CA PHE A 341 35.477 -6.574 30.214 1.00 35.86 C +ATOM 2617 C PHE A 341 36.809 -5.934 29.849 1.00 31.08 C +ATOM 2618 O PHE A 341 36.888 -4.747 29.510 1.00 32.60 O +ATOM 2619 CB PHE A 341 34.916 -7.325 28.986 1.00 36.96 C +ATOM 2620 CG PHE A 341 33.610 -8.016 29.239 1.00 37.59 C +ATOM 2621 CD1 PHE A 341 32.456 -7.581 28.621 1.00 43.60 C +ATOM 2622 CD2 PHE A 341 33.544 -9.121 30.080 1.00 32.65 C +ATOM 2623 CE1 PHE A 341 31.243 -8.207 28.859 1.00 47.52 C +ATOM 2624 CE2 PHE A 341 32.345 -9.748 30.327 1.00 39.20 C +ATOM 2625 CZ PHE A 341 31.186 -9.294 29.716 1.00 43.36 C +ATOM 2626 N TYR A 342 37.852 -6.747 29.896 1.00 33.51 N +ATOM 2627 CA TYR A 342 39.161 -6.369 29.395 1.00 36.06 C +ATOM 2628 C TYR A 342 39.256 -6.960 27.997 1.00 32.57 C +ATOM 2629 O TYR A 342 39.125 -8.172 27.845 1.00 30.86 O +ATOM 2630 CB TYR A 342 40.258 -6.950 30.280 1.00 33.77 C +ATOM 2631 CG TYR A 342 41.654 -6.480 29.973 1.00 42.47 C +ATOM 2632 CD1 TYR A 342 42.008 -5.150 30.119 1.00 54.87 C +ATOM 2633 CD2 TYR A 342 42.612 -7.357 29.483 1.00 41.85 C +ATOM 2634 CE1 TYR A 342 43.297 -4.712 29.849 1.00 52.89 C +ATOM 2635 CE2 TYR A 342 43.909 -6.920 29.191 1.00 44.11 C +ATOM 2636 CZ TYR A 342 44.241 -5.597 29.386 1.00 40.30 C +ATOM 2637 OH TYR A 342 45.512 -5.145 29.107 1.00 35.34 O +ATOM 2638 N VAL A 343 39.422 -6.122 26.977 1.00 31.15 N +ATOM 2639 CA VAL A 343 39.311 -6.586 25.589 1.00 30.53 C +ATOM 2640 C VAL A 343 40.667 -6.443 24.905 1.00 33.19 C +ATOM 2641 O VAL A 343 41.220 -5.342 24.827 1.00 34.18 O +ATOM 2642 CB VAL A 343 38.210 -5.834 24.827 1.00 27.94 C +ATOM 2643 CG1 VAL A 343 38.025 -6.437 23.416 1.00 26.66 C +ATOM 2644 CG2 VAL A 343 36.909 -5.916 25.608 1.00 27.51 C +ATOM 2645 N VAL A 344 41.202 -7.554 24.411 1.00 30.47 N +ATOM 2646 CA VAL A 344 42.527 -7.586 23.802 1.00 30.74 C +ATOM 2647 C VAL A 344 42.363 -7.642 22.293 1.00 32.52 C +ATOM 2648 O VAL A 344 41.778 -8.596 21.763 1.00 33.06 O +ATOM 2649 CB VAL A 344 43.343 -8.787 24.308 1.00 32.53 C +ATOM 2650 CG1 VAL A 344 44.702 -8.836 23.601 1.00 32.97 C +ATOM 2651 CG2 VAL A 344 43.524 -8.688 25.835 1.00 33.74 C +ATOM 2652 N PHE A 345 42.861 -6.615 21.602 1.00 33.25 N +ATOM 2653 CA PHE A 345 42.845 -6.572 20.138 1.00 33.07 C +ATOM 2654 C PHE A 345 44.194 -7.101 19.660 1.00 33.51 C +ATOM 2655 O PHE A 345 45.138 -6.358 19.382 1.00 33.19 O +ATOM 2656 CB PHE A 345 42.562 -5.162 19.638 1.00 28.07 C +ATOM 2657 CG PHE A 345 41.187 -4.668 19.998 1.00 34.36 C +ATOM 2658 CD1 PHE A 345 40.155 -4.761 19.094 1.00 30.52 C +ATOM 2659 CD2 PHE A 345 40.913 -4.197 21.280 1.00 32.62 C +ATOM 2660 CE1 PHE A 345 38.870 -4.327 19.426 1.00 35.03 C +ATOM 2661 CE2 PHE A 345 39.643 -3.753 21.612 1.00 29.68 C +ATOM 2662 CZ PHE A 345 38.618 -3.824 20.688 1.00 28.23 C +ATOM 2663 N ASP A 346 44.267 -8.427 19.571 1.00 31.29 N +ATOM 2664 CA ASP A 346 45.516 -9.131 19.270 1.00 33.16 C +ATOM 2665 C ASP A 346 45.673 -9.209 17.756 1.00 32.44 C +ATOM 2666 O ASP A 346 45.397 -10.224 17.113 1.00 35.06 O +ATOM 2667 CB ASP A 346 45.514 -10.507 19.927 1.00 33.75 C +ATOM 2668 CG ASP A 346 46.851 -11.229 19.807 1.00 37.58 C +ATOM 2669 OD1 ASP A 346 47.728 -10.762 19.049 1.00 35.01 O +ATOM 2670 OD2 ASP A 346 47.027 -12.264 20.490 1.00 37.89 O1- +ATOM 2671 N ARG A 347 46.117 -8.093 17.181 1.00 32.82 N +ATOM 2672 CA ARG A 347 46.266 -8.020 15.731 1.00 35.65 C +ATOM 2673 C ARG A 347 47.289 -9.034 15.231 1.00 40.03 C +ATOM 2674 O ARG A 347 47.092 -9.665 14.182 1.00 37.27 O +ATOM 2675 CB ARG A 347 46.652 -6.589 15.335 1.00 34.85 C +ATOM 2676 CG ARG A 347 45.578 -5.551 15.677 1.00 33.43 C +ATOM 2677 CD ARG A 347 46.165 -4.156 15.816 1.00 35.70 C +ATOM 2678 NE ARG A 347 46.911 -3.755 14.619 1.00 38.39 N +ATOM 2679 CZ ARG A 347 46.442 -2.964 13.661 1.00 42.92 C +ATOM 2680 NH1 ARG A 347 45.211 -2.474 13.735 1.00 41.39 N +ATOM 2681 NH2 ARG A 347 47.219 -2.651 12.627 1.00 40.39 N1+ +ATOM 2682 N ALA A 348 48.374 -9.231 15.984 1.00 34.75 N +ATOM 2683 CA ALA A 348 49.428 -10.145 15.538 1.00 35.78 C +ATOM 2684 C ALA A 348 48.905 -11.566 15.356 1.00 42.06 C +ATOM 2685 O ALA A 348 49.349 -12.286 14.456 1.00 38.42 O +ATOM 2686 CB ALA A 348 50.597 -10.133 16.529 1.00 37.14 C +ATOM 2687 N ARG A 349 47.978 -12.004 16.210 1.00 37.03 N +ATOM 2688 CA ARG A 349 47.431 -13.350 16.096 1.00 37.87 C +ATOM 2689 C ARG A 349 45.998 -13.353 15.558 1.00 39.88 C +ATOM 2690 O ARG A 349 45.329 -14.391 15.602 1.00 36.28 O +ATOM 2691 CB ARG A 349 47.532 -14.057 17.450 1.00 35.97 C +ATOM 2692 CG ARG A 349 49.012 -14.207 17.883 1.00 41.00 C +ATOM 2693 CD ARG A 349 49.187 -14.984 19.186 1.00 48.38 C +ATOM 2694 NE ARG A 349 48.679 -16.349 19.099 1.00 62.89 N +ATOM 2695 CZ ARG A 349 48.827 -17.259 20.059 1.00 68.22 C +ATOM 2696 NH1 ARG A 349 49.470 -16.953 21.179 1.00 67.23 N +ATOM 2697 NH2 ARG A 349 48.327 -18.479 19.901 1.00 69.43 N1+ +ATOM 2698 N LYS A 350 45.530 -12.220 15.035 1.00 31.00 N +ATOM 2699 CA LYS A 350 44.238 -12.112 14.357 1.00 32.59 C +ATOM 2700 C LYS A 350 43.103 -12.628 15.248 1.00 34.38 C +ATOM 2701 O LYS A 350 42.314 -13.503 14.867 1.00 32.99 O +ATOM 2702 CB LYS A 350 44.289 -12.849 13.002 1.00 34.55 C +ATOM 2703 CG LYS A 350 43.208 -12.438 12.016 1.00 46.83 C +ATOM 2704 CD LYS A 350 43.383 -13.148 10.657 1.00 54.00 C +ATOM 2705 CE LYS A 350 42.317 -12.708 9.639 1.00 50.97 C +ATOM 2706 NZ LYS A 350 42.408 -13.515 8.379 1.00 54.14 N1+ +ATOM 2707 N ARG A 351 43.038 -12.096 16.472 1.00 30.08 N +ATOM 2708 CA ARG A 351 42.029 -12.570 17.413 1.00 32.21 C +ATOM 2709 C ARG A 351 41.733 -11.469 18.418 1.00 36.70 C +ATOM 2710 O ARG A 351 42.543 -10.558 18.637 1.00 31.06 O +ATOM 2711 CB ARG A 351 42.488 -13.857 18.129 1.00 28.95 C +ATOM 2712 CG ARG A 351 43.788 -13.639 18.953 1.00 30.27 C +ATOM 2713 CD ARG A 351 44.345 -14.913 19.585 1.00 35.21 C +ATOM 2714 NE ARG A 351 45.437 -14.593 20.520 1.00 36.14 N +ATOM 2715 CZ ARG A 351 45.967 -15.461 21.382 1.00 39.56 C +ATOM 2716 NH1 ARG A 351 45.516 -16.716 21.439 1.00 36.00 N +ATOM 2717 NH2 ARG A 351 46.946 -15.075 22.189 1.00 38.60 N1+ +ATOM 2718 N ILE A 352 40.552 -11.558 19.027 1.00 32.32 N +ATOM 2719 CA ILE A 352 40.117 -10.629 20.060 1.00 29.97 C +ATOM 2720 C ILE A 352 39.853 -11.423 21.332 1.00 30.65 C +ATOM 2721 O ILE A 352 39.126 -12.417 21.296 1.00 32.44 O +ATOM 2722 CB ILE A 352 38.872 -9.840 19.615 1.00 31.38 C +ATOM 2723 CG1 ILE A 352 39.224 -9.038 18.343 1.00 36.04 C +ATOM 2724 CG2 ILE A 352 38.349 -8.924 20.764 1.00 28.52 C +ATOM 2725 CD1 ILE A 352 38.116 -8.171 17.836 1.00 39.14 C +ATOM 2726 N GLY A 353 40.471 -11.004 22.435 1.00 31.38 N +ATOM 2727 CA GLY A 353 40.333 -11.683 23.715 1.00 29.05 C +ATOM 2728 C GLY A 353 39.423 -10.917 24.656 1.00 33.76 C +ATOM 2729 O GLY A 353 39.406 -9.685 24.659 1.00 34.35 O +ATOM 2730 N PHE A 354 38.658 -11.664 25.449 1.00 28.93 N +ATOM 2731 CA PHE A 354 37.764 -11.100 26.441 1.00 29.05 C +ATOM 2732 C PHE A 354 38.072 -11.723 27.795 1.00 35.89 C +ATOM 2733 O PHE A 354 38.264 -12.941 27.893 1.00 31.43 O +ATOM 2734 CB PHE A 354 36.277 -11.368 26.088 1.00 33.57 C +ATOM 2735 CG PHE A 354 35.775 -10.618 24.863 1.00 29.94 C +ATOM 2736 CD1 PHE A 354 36.031 -11.098 23.585 1.00 31.49 C +ATOM 2737 CD2 PHE A 354 35.021 -9.461 24.999 1.00 33.72 C +ATOM 2738 CE1 PHE A 354 35.551 -10.415 22.441 1.00 36.83 C +ATOM 2739 CE2 PHE A 354 34.529 -8.778 23.860 1.00 31.46 C +ATOM 2740 CZ PHE A 354 34.805 -9.257 22.589 1.00 28.95 C +ATOM 2741 N ALA A 355 38.095 -10.888 28.835 1.00 31.82 N +ATOM 2742 CA ALA A 355 38.195 -11.381 30.205 1.00 33.34 C +ATOM 2743 C ALA A 355 37.398 -10.450 31.106 1.00 33.88 C +ATOM 2744 O ALA A 355 37.164 -9.282 30.770 1.00 33.46 O +ATOM 2745 CB ALA A 355 39.659 -11.471 30.679 1.00 31.27 C +ATOM 2746 N VAL A 356 36.968 -10.977 32.261 1.00 32.23 N +ATOM 2747 CA VAL A 356 36.302 -10.131 33.243 1.00 34.38 C +ATOM 2748 C VAL A 356 37.264 -9.047 33.701 1.00 37.74 C +ATOM 2749 O VAL A 356 38.405 -9.330 34.085 1.00 39.25 O +ATOM 2750 CB VAL A 356 35.807 -10.959 34.438 1.00 38.73 C +ATOM 2751 CG1 VAL A 356 35.221 -10.026 35.531 1.00 43.11 C +ATOM 2752 CG2 VAL A 356 34.780 -11.996 33.991 1.00 38.27 C +ATOM 2753 N SER A 357 36.807 -7.802 33.650 1.00 36.30 N +ATOM 2754 CA SER A 357 37.615 -6.643 34.011 1.00 40.50 C +ATOM 2755 C SER A 357 37.704 -6.477 35.525 1.00 42.30 C +ATOM 2756 O SER A 357 36.771 -6.815 36.260 1.00 40.86 O +ATOM 2757 CB SER A 357 37.009 -5.376 33.414 1.00 45.50 C +ATOM 2758 OG SER A 357 37.693 -4.213 33.841 1.00 47.78 O +ATOM 2759 N ALA A 358 38.823 -5.905 35.984 1.00 43.36 N +ATOM 2760 CA ALA A 358 38.910 -5.516 37.386 1.00 50.73 C +ATOM 2761 C ALA A 358 37.904 -4.425 37.731 1.00 53.17 C +ATOM 2762 O ALA A 358 37.546 -4.283 38.900 1.00 53.13 O +ATOM 2763 CB ALA A 358 40.325 -5.052 37.736 1.00 51.93 C +ATOM 2764 N CYS A 359 37.431 -3.654 36.750 1.00 46.36 N +ATOM 2765 CA CYS A 359 36.355 -2.694 36.996 1.00 49.84 C +ATOM 2766 C CYS A 359 35.062 -3.268 36.419 1.00 65.61 C +ATOM 2767 O CYS A 359 34.514 -2.806 35.423 1.00 76.82 O +ATOM 2768 CB CYS A 359 36.694 -1.331 36.385 1.00 42.17 C +ATOM 2769 SG CYS A 359 36.789 -1.285 34.555 1.00 51.45 S +ATOM 2770 N HIS A 360 34.552 -4.290 37.081 1.00 74.90 N +ATOM 2771 CA HIS A 360 33.375 -4.956 36.554 1.00 79.54 C +ATOM 2772 C HIS A 360 32.128 -4.448 37.258 1.00 73.69 C +ATOM 2773 O HIS A 360 32.192 -3.799 38.303 1.00 65.96 O +ATOM 2774 CB HIS A 360 33.501 -6.473 36.699 1.00 80.94 C +ATOM 2775 CG HIS A 360 33.643 -6.933 38.113 1.00 82.86 C +ATOM 2776 ND1 HIS A 360 34.769 -6.678 38.867 1.00 84.50 N +ATOM 2777 CD2 HIS A 360 32.796 -7.614 38.921 1.00 86.40 C +ATOM 2778 CE1 HIS A 360 34.614 -7.193 40.075 1.00 86.23 C +ATOM 2779 NE2 HIS A 360 33.425 -7.765 40.133 1.00 87.01 N +ATOM 2780 N VAL A 361 30.976 -4.763 36.666 1.00 85.48 N +ATOM 2781 CA VAL A 361 29.707 -4.358 37.254 1.00 93.58 C +ATOM 2782 C VAL A 361 29.418 -5.218 38.474 1.00 93.82 C +ATOM 2783 O VAL A 361 29.679 -6.428 38.482 1.00 97.30 O +ATOM 2784 CB VAL A 361 28.584 -4.458 36.208 1.00 95.67 C +ATOM 2785 CG1 VAL A 361 28.778 -5.695 35.336 1.00 94.22 C +ATOM 2786 CG2 VAL A 361 27.237 -4.496 36.889 1.00 95.76 C +ATOM 2787 N HIS A 362 28.887 -4.595 39.520 1.00 90.95 N +ATOM 2788 CA HIS A 362 28.584 -5.269 40.779 1.00 92.85 C +ATOM 2789 C HIS A 362 27.071 -5.376 40.971 1.00 93.11 C +ATOM 2790 O HIS A 362 26.426 -4.464 41.488 1.00101.73 O +ATOM 2791 CB HIS A 362 29.271 -4.579 41.955 1.00101.04 C +ATOM 2792 CG HIS A 362 30.764 -4.722 41.945 1.00108.94 C +ATOM 2793 ND1 HIS A 362 31.581 -3.995 41.105 1.00111.09 N +ATOM 2794 CD2 HIS A 362 31.585 -5.530 42.659 1.00110.49 C +ATOM 2795 CE1 HIS A 362 32.841 -4.340 41.311 1.00110.75 C +ATOM 2796 NE2 HIS A 362 32.870 -5.270 42.249 1.00110.20 N +ATOM 2797 N ASP A 363 26.514 -6.501 40.530 1.00 83.89 N +ATOM 2798 CA ASP A 363 25.137 -6.863 40.826 1.00 71.61 C +ATOM 2799 C ASP A 363 25.172 -7.752 42.060 1.00 72.25 C +ATOM 2800 O ASP A 363 26.120 -8.515 42.268 1.00 61.46 O +ATOM 2801 CB ASP A 363 24.481 -7.598 39.648 1.00 61.55 C +ATOM 2802 CG ASP A 363 22.979 -7.855 39.854 1.00 59.52 C +ATOM 2803 OD1 ASP A 363 22.160 -6.969 39.520 1.00 55.64 O +ATOM 2804 OD2 ASP A 363 22.610 -8.952 40.333 1.00 58.60 O1- +ATOM 2805 N GLU A 364 24.157 -7.614 42.905 1.00 81.88 N +ATOM 2806 CA GLU A 364 24.219 -8.272 44.203 1.00 81.74 C +ATOM 2807 C GLU A 364 24.066 -9.784 44.070 1.00 75.09 C +ATOM 2808 O GLU A 364 24.685 -10.542 44.828 1.00 72.06 O +ATOM 2809 CB GLU A 364 23.171 -7.661 45.131 1.00 90.04 C +ATOM 2810 CG GLU A 364 23.329 -8.030 46.589 1.00 95.35 C +ATOM 2811 CD GLU A 364 22.507 -7.133 47.488 1.00 96.81 C +ATOM 2812 OE1 GLU A 364 22.503 -7.368 48.717 1.00 96.23 O +ATOM 2813 OE2 GLU A 364 21.880 -6.183 46.963 1.00 93.38 O1- +ATOM 2814 N PHE A 365 23.230 -10.248 43.138 1.00 60.19 N +ATOM 2815 CA PHE A 365 22.995 -11.675 42.984 1.00 51.03 C +ATOM 2816 C PHE A 365 23.470 -12.261 41.650 1.00 54.74 C +ATOM 2817 O PHE A 365 23.443 -13.485 41.493 1.00 52.68 O +ATOM 2818 CB PHE A 365 21.517 -12.018 43.244 1.00 61.98 C +ATOM 2819 CG PHE A 365 20.561 -11.611 42.159 1.00 77.11 C +ATOM 2820 CD1 PHE A 365 19.993 -12.572 41.330 1.00 81.65 C +ATOM 2821 CD2 PHE A 365 20.165 -10.287 42.014 1.00 84.90 C +ATOM 2822 CE1 PHE A 365 19.078 -12.216 40.350 1.00 80.54 C +ATOM 2823 CE2 PHE A 365 19.253 -9.924 41.030 1.00 84.35 C +ATOM 2824 CZ PHE A 365 18.710 -10.893 40.198 1.00 80.90 C +ATOM 2825 N ARG A 366 23.870 -11.442 40.681 1.00 42.81 N +ATOM 2826 CA ARG A 366 24.346 -11.944 39.400 1.00 47.18 C +ATOM 2827 C ARG A 366 25.707 -11.324 39.110 1.00 53.45 C +ATOM 2828 O ARG A 366 26.089 -10.311 39.701 1.00 47.80 O +ATOM 2829 CB ARG A 366 23.356 -11.611 38.274 1.00 41.54 C +ATOM 2830 CG ARG A 366 21.998 -12.308 38.416 1.00 44.74 C +ATOM 2831 CD ARG A 366 20.987 -11.727 37.450 1.00 44.11 C +ATOM 2832 NE ARG A 366 20.779 -10.302 37.704 1.00 42.78 N +ATOM 2833 CZ ARG A 366 19.913 -9.541 37.041 1.00 50.64 C +ATOM 2834 NH1 ARG A 366 19.172 -10.060 36.067 1.00 47.74 N +ATOM 2835 NH2 ARG A 366 19.790 -8.258 37.353 1.00 51.84 N1+ +ATOM 2836 N THR A 367 26.446 -11.938 38.192 1.00 53.73 N +ATOM 2837 CA THR A 367 27.775 -11.435 37.882 1.00 58.05 C +ATOM 2838 C THR A 367 28.082 -11.575 36.399 1.00 52.38 C +ATOM 2839 O THR A 367 27.829 -12.621 35.793 1.00 48.76 O +ATOM 2840 CB THR A 367 28.832 -12.164 38.722 1.00 67.19 C +ATOM 2841 OG1 THR A 367 30.142 -11.753 38.308 1.00 71.12 O +ATOM 2842 CG2 THR A 367 28.687 -13.669 38.592 1.00 67.93 C +ATOM 2843 N ALA A 368 28.626 -10.508 35.826 1.00 49.99 N +ATOM 2844 CA ALA A 368 29.106 -10.564 34.457 1.00 43.11 C +ATOM 2845 C ALA A 368 30.208 -11.613 34.371 1.00 46.63 C +ATOM 2846 O ALA A 368 30.969 -11.829 35.323 1.00 47.17 O +ATOM 2847 CB ALA A 368 29.614 -9.184 34.020 1.00 41.47 C +ATOM 2848 N ALA A 369 30.267 -12.308 33.239 1.00 40.45 N +ATOM 2849 CA ALA A 369 31.175 -13.441 33.149 1.00 37.52 C +ATOM 2850 C ALA A 369 31.655 -13.627 31.715 1.00 38.24 C +ATOM 2851 O ALA A 369 31.004 -13.191 30.753 1.00 33.37 O +ATOM 2852 CB ALA A 369 30.505 -14.726 33.671 1.00 39.98 C +ATOM 2853 N VAL A 370 32.819 -14.276 31.604 1.00 32.64 N +ATOM 2854 CA VAL A 370 33.383 -14.788 30.350 1.00 37.07 C +ATOM 2855 C VAL A 370 33.665 -16.252 30.632 1.00 37.01 C +ATOM 2856 O VAL A 370 34.506 -16.566 31.485 1.00 35.65 O +ATOM 2857 CB VAL A 370 34.673 -14.063 29.925 1.00 32.26 C +ATOM 2858 CG1 VAL A 370 35.135 -14.539 28.524 1.00 29.76 C +ATOM 2859 CG2 VAL A 370 34.507 -12.533 29.977 1.00 29.94 C +ATOM 2860 N GLU A 371 32.940 -17.148 29.970 1.00 31.54 N +ATOM 2861 CA GLU A 371 32.951 -18.552 30.358 1.00 35.66 C +ATOM 2862 C GLU A 371 33.104 -19.447 29.141 1.00 41.83 C +ATOM 2863 O GLU A 371 32.497 -19.198 28.092 1.00 32.84 O +ATOM 2864 CB GLU A 371 31.650 -18.943 31.104 1.00 37.64 C +ATOM 2865 CG GLU A 371 31.443 -18.267 32.463 1.00 55.83 C +ATOM 2866 CD GLU A 371 30.005 -18.413 32.995 1.00 64.75 C +ATOM 2867 OE1 GLU A 371 29.824 -18.457 34.231 1.00 69.11 O +ATOM 2868 OE2 GLU A 371 29.056 -18.494 32.186 1.00 65.59 O1- +ATOM 2869 N GLY A 372 33.851 -20.534 29.322 1.00 37.84 N +ATOM 2870 CA GLY A 372 34.041 -21.530 28.297 1.00 39.05 C +ATOM 2871 C GLY A 372 34.710 -22.756 28.897 1.00 41.08 C +ATOM 2872 O GLY A 372 35.027 -22.788 30.087 1.00 33.73 O +ATOM 2873 N PRO A 373 34.922 -23.796 28.091 1.00 37.32 N +ATOM 2874 CA PRO A 373 34.526 -23.846 26.684 1.00 33.91 C +ATOM 2875 C PRO A 373 33.082 -24.320 26.520 1.00 35.76 C +ATOM 2876 O PRO A 373 32.547 -25.020 27.369 1.00 33.25 O +ATOM 2877 CB PRO A 373 35.492 -24.876 26.098 1.00 38.67 C +ATOM 2878 CG PRO A 373 35.652 -25.854 27.250 1.00 38.02 C +ATOM 2879 CD PRO A 373 35.721 -24.976 28.481 1.00 36.55 C +ATOM 2880 N PHE A 374 32.468 -23.972 25.410 1.00 31.51 N +ATOM 2881 CA PHE A 374 31.192 -24.547 25.034 1.00 33.27 C +ATOM 2882 C PHE A 374 31.413 -25.264 23.721 1.00 39.31 C +ATOM 2883 O PHE A 374 32.302 -24.891 22.947 1.00 33.50 O +ATOM 2884 CB PHE A 374 30.097 -23.483 24.873 1.00 37.11 C +ATOM 2885 CG PHE A 374 29.610 -22.924 26.175 1.00 36.61 C +ATOM 2886 CD1 PHE A 374 30.347 -21.971 26.852 1.00 34.82 C +ATOM 2887 CD2 PHE A 374 28.411 -23.354 26.717 1.00 34.13 C +ATOM 2888 CE1 PHE A 374 29.905 -21.468 28.063 1.00 34.86 C +ATOM 2889 CE2 PHE A 374 27.958 -22.851 27.924 1.00 34.17 C +ATOM 2890 CZ PHE A 374 28.701 -21.909 28.597 1.00 34.25 C +ATOM 2891 N VAL A 375 30.605 -26.286 23.464 1.00 32.10 N +ATOM 2892 CA VAL A 375 30.638 -26.964 22.182 1.00 32.34 C +ATOM 2893 C VAL A 375 29.548 -26.347 21.316 1.00 34.64 C +ATOM 2894 O VAL A 375 28.433 -26.090 21.789 1.00 36.77 O +ATOM 2895 CB VAL A 375 30.478 -28.492 22.323 1.00 40.86 C +ATOM 2896 CG1 VAL A 375 29.151 -28.875 22.978 1.00 42.44 C +ATOM 2897 CG2 VAL A 375 30.609 -29.156 20.941 1.00 36.63 C +ATOM 2898 N THR A 376 29.906 -25.996 20.085 1.00 35.11 N +ATOM 2899 CA THR A 376 28.962 -25.420 19.134 1.00 34.76 C +ATOM 2900 C THR A 376 29.333 -25.964 17.767 1.00 39.57 C +ATOM 2901 O THR A 376 30.426 -25.681 17.265 1.00 34.40 O +ATOM 2902 CB THR A 376 29.004 -23.887 19.124 1.00 35.11 C +ATOM 2903 OG1 THR A 376 28.818 -23.386 20.455 1.00 38.03 O +ATOM 2904 CG2 THR A 376 27.884 -23.346 18.231 1.00 37.51 C +ATOM 2905 N LEU A 377 28.423 -26.718 17.163 1.00 35.95 N +ATOM 2906 CA LEU A 377 28.666 -27.273 15.843 1.00 38.48 C +ATOM 2907 C LEU A 377 28.404 -26.235 14.757 1.00 38.39 C +ATOM 2908 O LEU A 377 27.629 -25.292 14.945 1.00 38.07 O +ATOM 2909 CB LEU A 377 27.761 -28.481 15.612 1.00 37.45 C +ATOM 2910 CG LEU A 377 27.870 -29.523 16.731 1.00 46.47 C +ATOM 2911 CD1 LEU A 377 26.956 -30.738 16.457 1.00 50.33 C +ATOM 2912 CD2 LEU A 377 29.295 -29.936 16.981 1.00 45.25 C +ATOM 2913 N ASP A 378 29.065 -26.425 13.614 1.00 41.77 N +ATOM 2914 CA ASP A 378 28.840 -25.624 12.399 1.00 40.62 C +ATOM 2915 C ASP A 378 28.946 -24.113 12.622 1.00 37.74 C +ATOM 2916 O ASP A 378 28.150 -23.333 12.097 1.00 43.02 O +ATOM 2917 CB ASP A 378 27.478 -25.967 11.789 1.00 46.58 C +ATOM 2918 CG ASP A 378 27.354 -27.432 11.418 1.00 55.97 C +ATOM 2919 OD1 ASP A 378 26.307 -28.033 11.735 1.00 58.26 O +ATOM 2920 OD2 ASP A 378 28.314 -27.983 10.830 1.00 58.26 O1- +ATOM 2921 N MET A 379 29.963 -23.686 13.371 1.00 41.19 N +ATOM 2922 CA MET A 379 30.070 -22.262 13.681 1.00 35.86 C +ATOM 2923 C MET A 379 30.336 -21.414 12.438 1.00 43.07 C +ATOM 2924 O MET A 379 29.906 -20.255 12.385 1.00 38.85 O +ATOM 2925 CB MET A 379 31.148 -22.012 14.729 1.00 37.25 C +ATOM 2926 CG MET A 379 30.810 -22.556 16.118 1.00 34.92 C +ATOM 2927 SD MET A 379 32.096 -22.109 17.302 1.00 37.97 S +ATOM 2928 CE MET A 379 33.447 -23.103 16.702 1.00 33.28 C +ATOM 2929 N GLU A 380 31.050 -21.945 11.440 1.00 43.29 N +ATOM 2930 CA GLU A 380 31.312 -21.132 10.253 1.00 55.31 C +ATOM 2931 C GLU A 380 30.043 -20.816 9.474 1.00 48.32 C +ATOM 2932 O GLU A 380 30.003 -19.802 8.771 1.00 51.96 O +ATOM 2933 CB GLU A 380 32.361 -21.774 9.342 1.00 68.21 C +ATOM 2934 CG GLU A 380 32.904 -20.784 8.281 1.00 90.46 C +ATOM 2935 CD GLU A 380 33.668 -19.584 8.862 1.00103.08 C +ATOM 2936 OE1 GLU A 380 34.409 -19.753 9.854 1.00105.23 O +ATOM 2937 OE2 GLU A 380 33.506 -18.459 8.324 1.00106.50 O1- +ATOM 2938 N ASP A 381 29.001 -21.634 9.598 1.00 45.33 N +ATOM 2939 CA ASP A 381 27.733 -21.297 8.961 1.00 40.90 C +ATOM 2940 C ASP A 381 27.107 -20.038 9.548 1.00 45.11 C +ATOM 2941 O ASP A 381 26.139 -19.531 8.975 1.00 45.37 O +ATOM 2942 CB ASP A 381 26.740 -22.450 9.062 1.00 51.07 C +ATOM 2943 CG ASP A 381 27.256 -23.714 8.407 1.00 67.85 C +ATOM 2944 OD1 ASP A 381 27.962 -23.594 7.384 1.00 73.38 O +ATOM 2945 OD2 ASP A 381 26.947 -24.816 8.906 1.00 76.15 O1- +ATOM 2946 N CYS A 382 27.624 -19.522 10.670 1.00 32.97 N +ATOM 2947 CA CYS A 382 27.023 -18.340 11.288 1.00 32.69 C +ATOM 2948 C CYS A 382 27.511 -17.048 10.647 1.00 32.36 C +ATOM 2949 O CYS A 382 26.874 -16.001 10.808 1.00 38.73 O +ATOM 2950 CB CYS A 382 27.347 -18.297 12.788 1.00 36.50 C +ATOM 2951 SG CYS A 382 26.733 -19.735 13.711 1.00 41.26 S +ATOM 2952 N GLY A 383 28.612 -17.103 9.910 1.00 39.14 N +ATOM 2953 CA GLY A 383 29.087 -15.929 9.218 1.00 39.16 C +ATOM 2954 C GLY A 383 28.224 -15.659 7.996 1.00 43.65 C +ATOM 2955 O GLY A 383 27.781 -16.577 7.301 1.00 42.63 O +ATOM 2956 N TYR A 384 27.953 -14.384 7.760 1.00 42.29 N +ATOM 2957 CA TYR A 384 27.132 -13.999 6.624 1.00 46.56 C +ATOM 2958 C TYR A 384 28.007 -13.803 5.399 1.00 50.09 C +ATOM 2959 O TYR A 384 29.124 -13.284 5.492 1.00 48.37 O +ATOM 2960 CB TYR A 384 26.350 -12.718 6.925 1.00 48.61 C +ATOM 2961 CG TYR A 384 25.549 -12.195 5.757 1.00 52.39 C +ATOM 2962 CD1 TYR A 384 24.369 -12.808 5.359 1.00 60.95 C +ATOM 2963 CD2 TYR A 384 25.979 -11.083 5.049 1.00 54.99 C +ATOM 2964 CE1 TYR A 384 23.635 -12.320 4.282 1.00 57.90 C +ATOM 2965 CE2 TYR A 384 25.260 -10.590 3.982 1.00 55.48 C +ATOM 2966 CZ TYR A 384 24.090 -11.210 3.603 1.00 61.41 C +ATOM 2967 OH TYR A 384 23.382 -10.703 2.535 1.00 66.37 O +ATOM 2968 N ASN A 385 27.494 -14.239 4.252 1.00 52.16 N +ATOM 2969 CA ASN A 385 28.180 -14.070 2.979 1.00 63.81 C +ATOM 2970 C ASN A 385 27.238 -13.365 1.999 1.00 66.96 C +ATOM 2971 O ASN A 385 26.064 -13.727 1.880 1.00 66.12 O +ATOM 2972 CB ASN A 385 28.636 -15.421 2.424 1.00 69.19 C +ATOM 2973 CG ASN A 385 29.686 -16.089 3.298 1.00 71.49 C +ATOM 2974 OD1 ASN A 385 30.804 -15.596 3.439 1.00 65.02 O +ATOM 2975 ND2 ASN A 385 29.325 -17.223 3.889 1.00 70.55 N +TER +ATOM 1 C1 UNK B 1 28.403 6.610 17.589 1.00 37.18 C +ATOM 2 C2 UNK B 1 26.695 6.160 15.957 1.00 36.77 C +ATOM 3 C3 UNK B 1 26.083 6.717 18.228 1.00 38.16 C +ATOM 4 C4 UNK B 1 28.040 6.237 16.298 1.00 37.71 C +ATOM 5 C5 UNK B 1 27.425 6.871 18.553 1.00 35.39 C +ATOM 6 C6 UNK B 1 25.732 6.378 16.928 1.00 40.87 C +ATOM 7 C7 UNK B 1 29.101 6.091 15.262 1.00 39.40 C +ATOM 8 C8 UNK B 1 27.869 7.180 19.951 1.00 38.96 C +ATOM 9 C9 UNK B 1 31.723 3.425 11.317 1.00 42.36 C +ATOM 10 C10 UNK B 1 31.090 10.208 17.837 1.00 34.72 C +ATOM 11 C12 UNK B 1 30.694 9.197 18.945 1.00 33.80 C +ATOM 12 C11 UNK B 1 32.557 10.105 17.388 1.00 31.96 C +ATOM 13 C18 UNK B 1 31.946 8.949 14.665 1.00 38.66 C +ATOM 14 C14 UNK B 1 32.635 6.647 15.446 1.00 29.24 C +ATOM 15 C15 UNK B 1 29.197 9.201 19.164 1.00 36.73 C +ATOM 16 C16 UNK B 1 32.114 8.029 15.880 1.00 38.36 C +ATOM 17 C17 UNK B 1 31.544 5.823 14.779 1.00 32.16 C +ATOM 18 C13 UNK B 1 32.991 8.685 16.959 1.00 36.14 C +ATOM 19 C19 UNK B 1 33.967 4.806 6.650 1.00 43.62 C +ATOM 20 C20 UNK B 1 30.264 7.402 21.904 1.00 40.81 C +ATOM 21 C21 UNK B 1 22.103 6.621 16.643 1.00 53.15 C +ATOM 22 C22 UNK B 1 30.522 1.538 12.315 1.00 37.92 C +ATOM 23 C23 UNK B 1 34.953 4.015 7.469 1.00 47.37 C +ATOM 24 C24 UNK B 1 34.290 3.199 8.634 1.00 46.53 C +ATOM 25 C25 UNK B 1 30.928 3.574 13.713 1.00 28.14 C +ATOM 26 C26 UNK B 1 29.195 8.432 21.550 1.00 43.32 C +ATOM 27 C27 UNK B 1 33.291 3.999 9.490 1.00 45.03 C +ATOM 28 C28 UNK B 1 23.419 6.964 17.251 1.00 53.24 C +ATOM 29 C29 UNK B 1 31.473 2.655 12.609 1.00 35.95 C +ATOM 30 C30 UNK B 1 32.022 4.423 14.349 1.00 35.81 C +ATOM 31 N31 UNK B 1 30.336 5.815 15.692 1.00 34.50 N +ATOM 32 N32 UNK B 1 28.709 8.220 20.164 1.00 39.75 N +ATOM 33 N33 UNK B 1 32.923 3.290 10.756 1.00 35.98 N +ATOM 34 O34 UNK B 1 28.854 6.292 14.077 1.00 37.98 O +ATOM 35 O35 UNK B 1 27.522 6.446 20.858 1.00 42.05 O +ATOM 36 O36 UNK B 1 30.852 4.155 10.850 1.00 39.32 O +ATOM 37 O37 UNK B 1 32.634 3.713 15.422 1.00 36.13 O +ATOM 38 O38 UNK B 1 24.429 6.235 16.529 1.00 47.71 O +END diff --git a/example/shape/data/sha_shape.pdb b/example/shape/data/sha_shape.pdb new file mode 100644 index 0000000..21fe46f --- /dev/null +++ b/example/shape/data/sha_shape.pdb @@ -0,0 +1,32 @@ +ATOM 1 SHA SHA S 1 30.913 40.332 2.133 1.00 36.12 S +ATOM 2 SHA SHA S 2 31.688 39.106 2.001 0.00 35.33 S +ATOM 3 SHA SHA S 3 33.112 39.418 2.558 0.00 34.76 S +ATOM 4 SHA SHA S 4 33.816 40.410 1.579 0.00 37.71 S +ATOM 5 SHA SHA S 5 35.095 41.000 2.233 0.00 39.00 S +ATOM 6 SHA SHA S 6 34.725 42.089 3.256 0.00 43.60 S +ATOM 7 SHA SHA S 7 34.662 43.434 2.536 0.00 40.67 S +ATOM 8 SHA SHA S 8 34.321 44.590 3.534 0.00 43.75 S +ATOM 9 SHA SHA S 9 32.807 44.891 3.510 0.00 42.19 S +ATOM 10 SHA SHA S 10 32.462 45.218 2.053 0.00 44.29 S +ATOM 11 SHA SHA S 11 30.996 45.537 1.862 0.00 44.22 S +ATOM 12 SHA SHA S 12 30.082 44.343 1.982 0.00 40.24 S +ATOM 13 SHA SHA S 13 30.394 43.213 1.281 1.00 37.67 S +ATOM 14 SHA SHA S 14 29.464 42.065 1.338 0.00 35.43 S +ATOM 15 SHA SHA S 15 30.195 40.785 1.082 0.00 38.27 S +ATOM 16 SHA SHA S 16 30.130 40.204 -0.003 0.50 37.88 S +ATOM 17 SHA SHA S 17 28.388 42.319 0.256 0.00 36.45 S +ATOM 18 SHA SHA S 18 29.101 44.457 2.703 0.50 38.23 S +ATOM 19 SHA SHA S 19 34.243 39.605 0.318 0.00 36.09 S +ATOM 20 SHA SHA S 20 31.025 37.944 2.771 0.00 37.31 S +ATOM 21 SHA SHA S 21 30.979 38.245 4.175 0.50 38.76 S +ATOM 22 SHA SHA S 22 29.562 37.728 2.295 0.00 32.26 S +ATOM 23 SHA SHA S 23 29.140 36.302 2.691 0.00 33.64 S +ATOM 24 SHA SHA S 24 27.607 36.246 2.865 0.00 34.74 S +ATOM 25 SHA SHA S 25 29.436 35.319 1.568 0.00 33.05 S +ATOM 26 SHA SHA S 26 29.380 35.691 0.406 0.50 36.82 S +ATOM 27 SHA SHA S 27 29.753 34.077 1.938 1.00 33.47 S +ATOM 28 SHA SHA S 28 30.018 33.054 0.933 0.00 37.18 S +ATOM 29 SHA SHA S 29 30.407 31.764 1.687 1.00 37.79 S +ATOM 30 SHA SHA S 30 30.478 30.539 0.736 1.00 41.97 S +ATOM 31 SHA SHA S 31 31.695 30.650 -0.211 1.00 42.49 S +END diff --git a/example/shape/input.txt b/example/shape/input.txt new file mode 100644 index 0000000..1584f8c --- /dev/null +++ b/example/shape/input.txt @@ -0,0 +1,7 @@ +example/shape/data/sha_ligand.param +example/shape/data/sha_ligand.top +example/shape/data/sha_l_u.pdb +example/shape/data/sha_r_u.pdb +example/shape/data/sha_ambig.tbl +example/shape/data/sha_shape.pdb +example/shape/data/sha_ref.pdb diff --git a/input/input.go b/input/input.go index c02b579..45a2f39 100644 --- a/input/input.go +++ b/input/input.go @@ -32,6 +32,7 @@ type GeneralStruct struct { HaddockDir string `yaml:"haddock_dir"` ReceptorSuffix string `yaml:"receptor_suffix"` LigandSuffix string `yaml:"ligand_suffix"` + ShapeSuffix string `yaml:"shape_suffix"` InputList string `yaml:"input_list"` WorkDir string `yaml:"work_dir"` MaxConcurrent int `yaml:"max_concurrent"` @@ -126,12 +127,10 @@ func (inp *Input) ValidateExecutable() error { return nil } return errors.New("executable not executable") - } // ValidatePatterns checks if there are duplicated patterns in the input struct func (inp *Input) ValidatePatterns() error { - // ReceptorSuffix and LigandSuffix if inp.General.ReceptorSuffix == "" { err := errors.New("receptor_suffix not defined in `general` section") @@ -169,7 +168,6 @@ func (inp *Input) ValidatePatterns() error { field := v.Field(i) fieldName := types.Field(i).Name if m == strings.ToLower(fieldName) { - if field.Kind() == reflect.Map { for key, value := range field.Interface().(map[string]interface{}) { if strings.Contains(key, "_fname") { @@ -207,25 +205,21 @@ func (inp *Input) ValidatePatterns() error { } return nil - } // ValidateRunCNSParams checks if the parameters names are valid func ValidateRunCNSParams(known map[string]interface{}, params map[string]interface{}) error { - for key := range params { if known[key] == nil { err := errors.New("`" + key + "` not valid") return err } - } return nil } // ValidateExecutionModes checks if the execution modes are valid func (inp *Input) ValidateExecutionModes() error { - if inp.Slurm != (SlurmParams{}) { // Check if the executable is HADDOCK3 if utils.IsHaddock24(inp.General.HaddockDir) { @@ -340,7 +334,6 @@ func LoadInput(filename string) (*Input, error) { // FindHaddock24RunCns finds the run.cns-conf file based on the executable location func FindHaddock24RunCns(p string) (string, error) { - rootPath, _ := filepath.Abs(p) runCnsLoc := filepath.Clean(filepath.Join(rootPath, "protocols", "run.cns-conf")) @@ -349,12 +342,10 @@ func FindHaddock24RunCns(p string) (string, error) { } return runCnsLoc, nil - } // LoadHaddock24Params loads the parameters from the run.cns-conf file func LoadHaddock24Params(filename string) (map[string]interface{}, error) { - runCnsFile, err := os.Open(filename) if err != nil { return nil, err @@ -405,14 +396,12 @@ func LoadHaddock24Params(filename string) (map[string]interface{}, error) { } return m, nil - } // LoadHaddock3Params reads the defaults.yaml files recursively and returns a list of modules // // It returns an array of `Module` structs func LoadHaddock3Params(p string) (ModuleParams, error) { - paramPath := filepath.Join(p, "src/") // Check if path exists if _, err := os.Stat(paramPath); os.IsNotExist(err) { @@ -458,12 +447,10 @@ func LoadHaddock3Params(p string) (ModuleParams, error) { // TODO: Load the mandatory/optional parameters return m, nil - } // ValidateHaddock3Params checks if the parameters names are valid func ValidateHaddock3Params(known ModuleParams, loaded ModuleParams) error { - v := reflect.ValueOf(loaded) k := reflect.ValueOf(known) @@ -487,5 +474,4 @@ func ValidateHaddock3Params(known ModuleParams, loaded ModuleParams) error { } return nil - } diff --git a/main.go b/main.go index 252280a..62ab187 100644 --- a/main.go +++ b/main.go @@ -18,7 +18,7 @@ import ( "github.com/golang/glog" ) -const version = "v1.10.0" +const version = "v1.11.0" func init() { var versionPrint bool @@ -42,11 +42,9 @@ Options: } fmt.Println("") } - } func main() { - flag.Parse() if utils.IsFlagPassed("version") { @@ -131,7 +129,7 @@ func main() { } // Load the dataset - data, errDataset := dataset.LoadDataset(inp.General.WorkDir, inp.General.InputList, inp.General.ReceptorSuffix, inp.General.LigandSuffix) + data, errDataset := dataset.LoadDataset(inp.General.WorkDir, inp.General.InputList, inp.General.ReceptorSuffix, inp.General.LigandSuffix, inp.General.ShapeSuffix) if errDataset != nil { glog.Exit("Failed to load dataset: " + errDataset.Error()) } @@ -231,7 +229,6 @@ func main() { glog.Exit("Failed to wait for job: " + err.Error()) } } - }(job) } @@ -239,5 +236,4 @@ func main() { glog.Info("############################################") glog.Info("haddock-runner finished successfully") - } diff --git a/utils/utils.go b/utils/utils.go index 199796d..432bedb 100644 --- a/utils/utils.go +++ b/utils/utils.go @@ -28,7 +28,6 @@ var ( // CopyFile copies a file from src to dst // If the file does not exist or cannot be created, an error is returned func CopyFile(src, dst string) error { - if _, err := os.Stat(src); os.IsNotExist(err) { err := errors.New("file does not exist: " + src) return err @@ -61,7 +60,6 @@ func IsFlagPassed(name string) bool { // IsHaddock3 returns true if the path is a Haddock 3 project func IsHaddock3(p string) bool { - rootPath, _ := filepath.Abs(p) DefaultsLoc := filepath.Clean(filepath.Join(rootPath, "src/haddock/modules/defaults.yaml")) @@ -70,12 +68,10 @@ func IsHaddock3(p string) bool { } return true - } // IsHaddock24 returns true if the path is a Haddock 2.4 project func IsHaddock24(p string) bool { - rootPath, _ := filepath.Abs(p) runCnsLoc := filepath.Clean(filepath.Join(rootPath, "protocols/run.cns-conf")) @@ -84,12 +80,10 @@ func IsHaddock24(p string) bool { } return true - } // CreateEnsemble creates an ensemble file from a list of PDB files func CreateEnsemble(p string, out string) error { - // Read the list file and check how many models there should be file, err := os.Open(p) if err != nil { @@ -138,7 +132,6 @@ func CreateEnsemble(p string, out string) error { _ = os.WriteFile(out, []byte(ens), 0644) return nil - } // formatModelHeader formats the header of a model, see https://www.wwpdb.org/documentation/file-format-content/format33/sect9.html#MODEL @@ -160,7 +153,6 @@ func IsUnique(s []string) bool { // CopyFileArrTo copy files from an array to a location func CopyFileArrTo(files []string, dst string) error { - for _, f := range files { _, file := filepath.Split(f) err := CopyFile(f, filepath.Join(dst, file)) @@ -220,7 +212,6 @@ func ContainsCG(s string) bool { // FindFname checks the array of strings for a pattern, returns an error if multiple files match func FindFname(arr []string, pattern *regexp.Regexp) (string, error) { - var fname string for _, f := range arr { if pattern.MatchString(f) { @@ -255,7 +246,6 @@ func SearchInLog(filePath, searchString string) (bool, error) { } func CreateJobHeader(partition, account, mail_user, runtime string, cpus_per_task, nodes, ntasks_per_node int) string { - header := "#!/bin/bash\n" header += "#SBATCH --job-name=haddock\n" header += "#SBATCH --output=haddock-%j.out\n" @@ -288,7 +278,6 @@ func CreateJobHeader(partition, account, mail_user, runtime string, cpus_per_tas } func CreateJobBody(cmd, path string) string { - body := "cd " + path + "\n" body += cmd + " run.toml\n" @@ -296,7 +285,6 @@ func CreateJobBody(cmd, path string) string { } func FindNewestLogFile(path string) string { - files, _ := filepath.Glob(filepath.Join(path, "*.txt")) // if err != nil { // return "" @@ -323,7 +311,6 @@ func FindNewestLogFile(path string) string { // // The log file should contain: "Submitted batch job XXXXXXX" func GetJobID(logF string) (string, error) { - file, err := os.Open(logF) if err != nil { return "", err @@ -348,7 +335,6 @@ func GetJobID(logF string) (string, error) { } func CheckSlurmStatus(jobID string) (string, error) { - // Add the job ID to the arguments Sacct_args = append(Sacct_args, jobID) @@ -367,5 +353,25 @@ func CheckSlurmStatus(jobID string) (string, error) { } return jobStatus, nil +} + +func CreateRootRegex(rsuf, lsuf, ssuf string) *regexp.Regexp { + suffixes := []string{} + + if rsuf != "" { + suffixes = append(suffixes, rsuf) + } + if lsuf != "" { + suffixes = append(suffixes, lsuf) + } + if ssuf != "" { + suffixes = append(suffixes, ssuf) + } + + if len(suffixes) == 0 { + return nil // or handle this case as needed + } + pattern := `(.*)(?:` + strings.Join(suffixes, "|") + `)` + return regexp.MustCompile(pattern) } diff --git a/utils/utils_test.go b/utils/utils_test.go index 6dda887..0e9e853 100644 --- a/utils/utils_test.go +++ b/utils/utils_test.go @@ -10,7 +10,6 @@ import ( ) func TestCopyFile(t *testing.T) { - var err error err = os.WriteFile("some-file", []byte(""), 0644) @@ -37,11 +36,9 @@ func TestCopyFile(t *testing.T) { if err == nil { t.Errorf("Failed to detect wrong file") } - } func TestIsFlagPassed(t *testing.T) { - // Pass by passing a flag os.Args = []string{"haddockrunner", "-option1"} var option1 bool @@ -56,11 +53,9 @@ func TestIsFlagPassed(t *testing.T) { if IsFlagPassed("option2") { t.Errorf("Failed to detect flag") } - } func TestIsHaddock3(t *testing.T) { - // Create a folder structure that is the same as haddock3's err := os.MkdirAll("_test_haddock3/src/haddock/modules", 0755) if err != nil { @@ -81,11 +76,9 @@ func TestIsHaddock3(t *testing.T) { if IsHaddock3("_test_haddock3/src") { t.Errorf("Failed to detect haddock3") } - } func TestIsHaddock24(t *testing.T) { - // Create a folder structure that is the same as haddock2.4's err := os.MkdirAll("_test_haddock24/protocols", 0755) if err != nil { @@ -106,11 +99,9 @@ func TestIsHaddock24(t *testing.T) { if IsHaddock24("_test_haddock24/protocols") { t.Errorf("Failed to detect haddock2.4") } - } func TestCreateEnsemble(t *testing.T) { - // Write a dummy PDB file err := os.WriteFile("dummy.pdb", []byte("ATOM 1 N ALA A 1 10.000 10.000 10.000 1.00 0.00 N\n"), 0644) if err != nil { @@ -170,7 +161,6 @@ func TestCreateEnsemble(t *testing.T) { } func TestIsUnique(t *testing.T) { - // Pass by passing a list of unique elements if !IsUnique([]string{"a", "b", "c"}) { t.Errorf("Failed to detect unique elements") @@ -180,11 +170,9 @@ func TestIsUnique(t *testing.T) { if IsUnique([]string{"a", "b", "a"}) { t.Errorf("Failed to detect non-unique elements") } - } func TestCopyFileArrTo(t *testing.T) { - var err error arr := []string{"dummy.pdb", "dummy.pdb", "dummy.pdb"} @@ -211,7 +199,6 @@ func TestCopyFileArrTo(t *testing.T) { if err == nil { t.Errorf("Failed to detect wrong folder") } - } func TestIntSliceToStringSlice(t *testing.T) { @@ -318,7 +305,6 @@ func TestContainsCG(t *testing.T) { } func TestFindFname(t *testing.T) { - testArr := []string{"abc", "bcd", "cde"} pattern := regexp.MustCompile("abc") _, err := FindFname(testArr, pattern) @@ -331,7 +317,6 @@ func TestFindFname(t *testing.T) { if err == nil { t.Errorf("Failed to detect multiple files") } - } func TestSearchInLog(t *testing.T) { @@ -400,7 +385,6 @@ func TestSearchInLog(t *testing.T) { } }) } - } func TestCreateJobHeader(t *testing.T) { @@ -419,7 +403,6 @@ func TestCreateJobHeader(t *testing.T) { if output == "" { t.Errorf("Failed to create job header") } - } func TestCreateJobBody(t *testing.T) { @@ -433,7 +416,6 @@ func TestCreateJobBody(t *testing.T) { } func TestFindNewestLogFile(t *testing.T) { - // Write two files, return the newest one err := os.WriteFile("file1.txt", []byte("file1"), 0644) if err != nil { @@ -464,11 +446,9 @@ func TestFindNewestLogFile(t *testing.T) { if newestFile != "" { t.Errorf("Failed to detect wrong folder") } - } func TestGetJobID(t *testing.T) { - // Create a log file with the job ID logF := "log.txt" err := os.WriteFile(logF, []byte("Submitted batch job 12345678"), 0644) @@ -546,11 +526,9 @@ func TestGetJobID(t *testing.T) { } }) } - } func TestCheckSlurmStatus(t *testing.T) { - // Note: This test is full of assumptions, it assumes that the slurm command // is available and that the job ID is valid @@ -611,7 +589,6 @@ func TestCheckSlurmStatus(t *testing.T) { } }) } - } func TestFormatModelHeader(t *testing.T) { @@ -662,3 +639,94 @@ func TestFormatModelHeader(t *testing.T) { }) } } + +func TestCreateRootRegex(t *testing.T) { + type args struct { + rsuf string + lsuf string + ssuf string + } + tests := []struct { + name string + args args + want string + wantNil bool + }{ + { + name: "No suffixes", + args: args{ + rsuf: "", + lsuf: "", + ssuf: "", + }, + wantNil: true, + }, + { + name: "Only rec suffix", + args: args{ + rsuf: "rec", + lsuf: "", + ssuf: "", + }, + want: `(.*)(?:rec)`, + }, + { + name: "Only lig suffix", + args: args{ + rsuf: "", + lsuf: "lig", + ssuf: "", + }, + want: `(.*)(?:lig)`, + }, + { + name: "Only shape suffix", + args: args{ + rsuf: "", + lsuf: "", + ssuf: "sha", + }, + want: `(.*)(?:sha)`, + }, + { + name: "Two suffixes", + args: args{ + rsuf: ".txt", + lsuf: ".log", + ssuf: "", + }, + want: `(.*)(?:.txt|.log)`, + }, + { + name: "Three suffixes", + args: args{ + rsuf: "rec", + lsuf: "lig", + ssuf: "sha", + }, + want: `(.*)(?:rec|lig|sha)`, + }, + } + + for _, tt := range tests { + t.Run(tt.name, func(t *testing.T) { + got := CreateRootRegex(tt.args.rsuf, tt.args.lsuf, tt.args.ssuf) + + if tt.wantNil { + if got != nil { + t.Errorf("CreateRootRegex() = %v, want nil", got) + } + return + } + + if got == nil { + t.Errorf("CreateRootRegex() = nil, want non-nil") + return + } + + if got.String() != tt.want { + t.Errorf("CreateRootRegex() regex = %v, want %v", got.String(), tt.want) + } + }) + } +}