From fbbfc2d5b4d5d0652905bc9495650a9f57b63499 Mon Sep 17 00:00:00 2001 From: Jorge Date: Sat, 20 Jan 2024 16:45:07 -0500 Subject: [PATCH 1/9] 1. add *arg detecter, in modify simul tool.\ 2. Improve string printing inside the agent with () format --- .../simulation_tools/create_simulation.py | 74 ++++++++++--------- 1 file changed, 41 insertions(+), 33 deletions(-) diff --git a/mdagent/tools/base_tools/simulation_tools/create_simulation.py b/mdagent/tools/base_tools/simulation_tools/create_simulation.py index 7c5e3563..5753b046 100644 --- a/mdagent/tools/base_tools/simulation_tools/create_simulation.py +++ b/mdagent/tools/base_tools/simulation_tools/create_simulation.py @@ -90,31 +90,30 @@ def _prompt_summary(self, query: str, llm: BaseLanguageModel = None): if not llm: raise ValueError("No language model provided at ModifyScriptTool") - prompt_template = """ You're an expert programmer and in molecular dynamics. - Your job is to make a script to make a simmulatiuon. - in openmm. - Youre starting point is a base script that runs a protein on its own. - The protein itself doesnt require more preperation. - The forcefields, integrator, and constraints are already set up for you. - You need to add lines to fullfill the user requirement. - Your answer has to be the modified script. - Your answer should be a python script. - Dont use ''' to comment out the code, use # instead. - Describe your thoughts and changes before you start writing the script. - The script will be rum as it is, so make it completely. - - The format should be as follows: - THOUGHTS: (Your thoughts as an openmm expert with the base script and the query) - CHANGES:(what modifications youre doing to the script) - SCRIPT: (The COMPLETE modified script) - FINAL THOUGHTS: (Optional, Any final thoughts or comments - you have about the script) - - - Base_SCRIPT: - {base_script} - Question: {query} - """ + prompt_template = ( + "You're an expert programmer and in molecular dynamics. " + "Your job is to make a script to make a simmulation " + "in openmm. " + "Youre starting point is a base script that runs a protein on its own. " + "The protein itself doesnt require more preperation. " + "The forcefields, integrator, and constraints are already set up for you. " + "You need to add lines to fullfill the user requirement. " + "Your answer has to be the modified script. " + "Your answer should be a python script. " + "Dont use ''' to comment out the code, use # instead. " + "Describe your thoughts and changes before you start writing the script. " + "The script will be rum as it is, so make it completely. " + "The format should be as follows: " + "THOUGHTS: (Your thoughts as an openmm expert with the base " + "script and the query) \n" + "CHANGES:(what modifications youre doing to the script)\n " + "SCRIPT: (The COMPLETE modified script)\n " + "FINAL THOUGHTS: (Optional, Any final thoughts or comments\n " + "you have about the script\n " + "Base_SCRIPT:\n" + "{base_script} \n" + "Question: {query} " + ) prompt = PromptTemplate( template=prompt_template, input_variables=["base_script", "query"] @@ -134,17 +133,21 @@ def remove_leading_spaces(self, text): class ModifyScriptInput(BaseModel): query: str = Field( ..., - description="""Simmulation required by the user.You MUST - specify the objective, requirements of the simulation as well - as on what protein you are working.""", + description=( + "Simmulation required by the user.You MUST " + "specify the objective, requirements of the simulation as well " + "as on what protein you are working." + ), ) script: str = Field(..., description=" simulation ID of the base script file") class ModifyBaseSimulationScriptTool(BaseTool): name: str = "ModifyScriptTool" - description: str = """This tool takes a base simulation script and a user - requirement and returns a modified script. """ + description: str = ( + "This tool takes a base simulation script and a user " + "requirement and returns a modified script. " + ) args_schema = ModifyScriptInput llm: Optional[BaseLanguageModel] @@ -155,11 +158,16 @@ def __init__(self, path_registry: Optional[PathRegistry], llm: BaseLanguageModel self.path_registry = path_registry self.llm = llm - def _run(self, **input): + def _run(self, *args, **input): + if len(args) > 0: + return ( + "This tool expects you to provide the input as a " + "dictionary: {'query': 'your query', 'script': 'script id'}" + ) + base_script_id = input.get("script") if not base_script_id: - return """No id provided. The keys for the input are: - 'query' and 'script'""" + return "No id provided. The keys for the input are: " "query' and 'script'" try: base_script_path = self.path_registry.get_mapped_path(base_script_id) parts = base_script_path.split("/") From d014ff7382e247b2ff584fa81e096ebc5f84ee26 Mon Sep 17 00:00:00 2001 From: Jorge Date: Sat, 20 Jan 2024 19:02:44 -0500 Subject: [PATCH 2/9] 1. fix bug at getting id and filename from modified simulations. 2. Change stucture in make_tools so modifyscript is with other llm tools. 3. Fix bug at modifyscriputils during its init (added the llm when called) --- .../simulation_tools/create_simulation.py | 18 ++++++++++++------ mdagent/tools/maketools.py | 13 +++++++------ mdagent/utils/path_registry.py | 19 +++++++++++-------- 3 files changed, 30 insertions(+), 20 deletions(-) diff --git a/mdagent/tools/base_tools/simulation_tools/create_simulation.py b/mdagent/tools/base_tools/simulation_tools/create_simulation.py index 5753b046..c75c0813 100644 --- a/mdagent/tools/base_tools/simulation_tools/create_simulation.py +++ b/mdagent/tools/base_tools/simulation_tools/create_simulation.py @@ -8,12 +8,14 @@ from langchain.tools import BaseTool from pydantic import BaseModel, Field -from mdagent.utils import PathRegistry +from mdagent.utils import FileType, PathRegistry class ModifyScriptUtils: + llm: Optional[BaseLanguageModel] + def __init__(self, llm): - llm = llm + self.llm = llm Examples = [ """ @@ -153,12 +155,16 @@ class ModifyBaseSimulationScriptTool(BaseTool): llm: Optional[BaseLanguageModel] path_registry: Optional[PathRegistry] - def __init__(self, path_registry: Optional[PathRegistry], llm: BaseLanguageModel): + def __init__(self, path_registry: Optional[PathRegistry], llm): super().__init__() self.path_registry = path_registry self.llm = llm + print(f"fModifyScriptTool initialized, llm is {llm}") def _run(self, *args, **input): + if self.llm is None: # this should not happen + print("No language model provided at ModifyScriptTool") + return "llm not initialized" if len(args) > 0: return ( "This tool expects you to provide the input as a " @@ -178,7 +184,7 @@ def _run(self, *args, **input): with open(base_script_path, "r") as file: base_script = file.read() base_script = "".join(base_script) - utils = ModifyScriptUtils() + utils = ModifyScriptUtils(self.llm) description = input.get("query") answer = utils._prompt_summary( @@ -194,9 +200,9 @@ def _run(self, *args, **input): script_content = textwrap.dedent(script_content).strip() # Write to file filename = self.path_registry.write_file_name( - type="SIMULATION", Sim_id=base_script_id, modified=True + type=FileType.SIMULATION, Sim_id=base_script_id, modified=True ) - file_id = self.path_registry.get_fileid(filename, type="SIMULATION") + file_id = self.path_registry.get_fileid(filename, type=FileType.SIMULATION) directory = "files/simulations" if not os.path.exists(directory): os.makedirs(directory) diff --git a/mdagent/tools/maketools.py b/mdagent/tools/maketools.py index 17daab31..5fca1faf 100644 --- a/mdagent/tools/maketools.py +++ b/mdagent/tools/maketools.py @@ -24,7 +24,6 @@ PPIDistance, RMSDCalculator, Scholar2ResultLLM, - SerpGitTool, SetUpandRunFunction, SimulationOutputFigures, VisualizeProtein, @@ -63,15 +62,17 @@ def make_all_tools( ): load_dotenv() all_tools = [] - + path_instance = PathRegistry.get_instance() # get instance first if llm: all_tools += agents.load_tools(["llm-math"], llm) all_tools += [PythonREPLTool()] # or PythonREPLTool(llm=llm)? + all_tools += [ + ModifyBaseSimulationScriptTool(path_registry=path_instance, llm=llm) + ] if human: all_tools += [agents.load_tools(["human"], llm)[0]] # get path registry - path_instance = PathRegistry.get_instance() # get instance first # add base tools base_tools = [ @@ -110,10 +111,10 @@ def make_all_tools( all_tools += base_tools + subagents_tools + learned_tools # add other tools depending on api keys - serp_key = os.getenv("SERP_API_KEY") + os.getenv("SERP_API_KEY") pqa_key = os.getenv("PQA_API_KEY") - if serp_key: - all_tools.append(SerpGitTool(serp_key)) # github issues search + # if serp_key: + # all_tools.append(SerpGitTool(serp_key)) # github issues search if pqa_key: all_tools.append(Scholar2ResultLLM(pqa_key)) # literature search return all_tools diff --git a/mdagent/utils/path_registry.py b/mdagent/utils/path_registry.py index 8fc27a47..3a7d3dac 100644 --- a/mdagent/utils/path_registry.py +++ b/mdagent/utils/path_registry.py @@ -159,17 +159,20 @@ def write_file_name(self, type: FileType, **kwargs): conditions = kwargs.get("conditions", None) Sim_id = kwargs.get("Sim_id", None) modified = kwargs.get("modified", False) - + file_name = "" if type == FileType.PROTEIN: - file_name = f"{protein_name}_{description}_{time_stamp}.{file_format}" + file_name += f"{protein_name}_{description}_{time_stamp}.{file_format}" if type == FileType.SIMULATION: + print("im here inside") if conditions: - file_name = f"{type_of_sim}_{protein_file_id}_{conditions}_{time_stamp}" + file_name += ( + f"{type_of_sim}_{protein_file_id}_{conditions}_{time_stamp}.py" + ) elif modified: - file_name = f"{Sim_id}_MOD_{time_stamp}" + print("I got here!!!!") + file_name += f"{Sim_id}_MOD_{time_stamp}.py" else: - file_name = f"{type_of_sim}_{protein_file_id}_{time_stamp}" - if type == FileType.RECORD: - file_name = f"{protein_file_id}_{Sim_id}_{time_stamp}" - + file_name += f"{type_of_sim}_{protein_file_id}_{time_stamp}.py" + if file_name == "": + file_name += "ErrorDuringNaming_error.py" return file_name From ebe3512b5c7dec2e37b19388579fb9463ed997ae Mon Sep 17 00:00:00 2001 From: Jorge Date: Sat, 20 Jan 2024 19:10:57 -0500 Subject: [PATCH 3/9] skipped a test for a functionality that is not implemented yet --- tests/test_fxns.py | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/tests/test_fxns.py b/tests/test_fxns.py index 61c997d7..5b136a88 100644 --- a/tests/test_fxns.py +++ b/tests/test_fxns.py @@ -209,14 +209,14 @@ def test_write_file_name_simulation_with_conditions(path_registry): conditions="pH7", time_stamp="20240109", ) - assert file_name == "MD_1XYZ_pH7_20240109" + assert file_name == "MD_1XYZ_pH7_20240109.py" def test_write_file_name_simulation_modified(path_registry): file_name = path_registry.write_file_name( FileType.SIMULATION, Sim_id="SIM456", modified=True, time_stamp="20240109" ) - assert file_name == "SIM456_MOD_20240109" + assert file_name == "SIM456_MOD_20240109.py" def test_write_file_name_simulation_default(path_registry): @@ -226,9 +226,10 @@ def test_write_file_name_simulation_default(path_registry): protein_file_id="123", time_stamp="20240109", ) - assert file_name == "MD_123_20240109" + assert file_name == "MD_123_20240109.py" +@pytest.mark.skip(reason="not implemented for record files") def test_write_file_name_record(path_registry): file_name = path_registry.write_file_name( FileType.RECORD, protein_file_id="123", Sim_id="SIM456", time_stamp="20240109" From 3bdf0dc722111a6655af338dce6f20cc4fc81289 Mon Sep 17 00:00:00 2001 From: Jorge Date: Mon, 22 Jan 2024 17:48:34 -0500 Subject: [PATCH 4/9] 1. reduce simulation time to 10nm (5000 steps of 0.002ps) 2. Fix bug writing before getting simulation file id --- mdagent/mainagent/prompt.py | 60 +- .../simulation_tools/setup_and_run.py | 9 +- tests/3pqr.cif | 4765 ----------------- 3 files changed, 32 insertions(+), 4802 deletions(-) delete mode 100644 tests/3pqr.cif diff --git a/mdagent/mainagent/prompt.py b/mdagent/mainagent/prompt.py index 5cdbc107..3c9d0b64 100644 --- a/mdagent/mainagent/prompt.py +++ b/mdagent/mainagent/prompt.py @@ -2,38 +2,34 @@ structured_prompt = PromptTemplate( input_variables=["input"], - template=""" - You are an expert molecular dynamics scientist and - your task is to respond to the question or - solve the problem to the best of your ability using - the provided tools. - - You can only respond with a single complete - "Thought, Action, Action Input" format - OR a single "Final Answer" format. - - Complete format: - - Thought: (reflect on your progress and decide what - to do next) - Action: (the action name, should be the name of a tool) - Action Input: (the input string to the action) - - OR - - Final Answer: (the final answer to the original input - question) - - Use the tools provided, using the most specific tool - available for each action. - Once you map a path to a short name, you may only use - that short name in future actions. - Your final answer should contain all information - necessary to answer the question and subquestions. - Your thought process should be clean and clear, - and you must explicitly state the actions you are taking. - Question: {input} - """, + template=( + "You are an expert molecular dynamics scientist and " + "your task is to respond to the question or " + "solve the problem to the best of your ability using " + "the provided tools. " + "\n" + "You can only respond with a single complete " + "'Thought, Action, Action Input' format " + "OR a single 'Final Answer' format. " + "\n", + "Complete format: " "\n", + "Thought: (reflect on your progress and decide what " "to do next) ", + "Action: (the action name, should be the name of a tool)\n" + "Action Input: (the input string to the action)\n" + "\n" + "OR\n " + "\n" + "Final Answer: (the final answer to the original input " + "question)\n " + "\n" + "Use the tools provided, using the most specific tool " + "available for each action. " + "Your final answer should contain all information " + "necessary to answer the question and subquestions. " + "Your thought process should be clean and clear, " + "and you must explicitly state the actions you are taking. " + "Question: {input} ", + ), ) diff --git a/mdagent/tools/base_tools/simulation_tools/setup_and_run.py b/mdagent/tools/base_tools/simulation_tools/setup_and_run.py index 338e5dcf..53f558ee 100644 --- a/mdagent/tools/base_tools/simulation_tools/setup_and_run.py +++ b/mdagent/tools/base_tools/simulation_tools/setup_and_run.py @@ -588,7 +588,7 @@ class SetUpandRunFunctionInput(BaseModel): "integrator_type": "LangevinMiddle", "Temperature": "300 * kelvin", "Friction": "1.0 / picoseconds", - "Timestep": "0.004 * picoseconds", + "Timestep": "0.002 * picoseconds", "Pressure": "1.0 * bar", }, description="""Parameters for the openmm integrator.""", @@ -596,7 +596,7 @@ class SetUpandRunFunctionInput(BaseModel): simmulation_params: Dict[str, Any] = Field( { "Ensemble": "NVT", - "Number of Steps": 10000, + "Number of Steps": 5000, "record_interval_steps": 100, "record_params": ["step", "potentialEnergy", "temperature"], }, @@ -627,7 +627,7 @@ def __init__( "integrator_type": "LangevinMiddle", "Temperature": 300 * kelvin, "Friction": 1.0 / picoseconds, - "Timestep": 0.004 * picoseconds, + "Timestep": 0.002 * picoseconds, "Pressure": 1.0 * bar, } @@ -645,7 +645,7 @@ def __init__( if self.sim_params is None: self.sim_params = { "Ensemble": "NVT", - "Number of Steps": 10000, + "Number of Steps": 5000, "record_interval_steps": 100, "record_params": ["step", "potentialEnergy", "temperature"], } @@ -1041,7 +1041,6 @@ def _run(self, **input_args): type_of_sim=input["simmulation_params"]["Ensemble"], protein_file_id=pdb_id, ) - file_name += ".py" file_id = self.path_registry.get_fileid(file_name, FileType.SIMULATION) Simulation.write_standalone_script(filename=file_name) self.path_registry.map_path( diff --git a/tests/3pqr.cif b/tests/3pqr.cif deleted file mode 100644 index 3726a027..00000000 --- a/tests/3pqr.cif +++ /dev/null @@ -1,4765 +0,0 @@ -data_3PQR -# -_entry.id 3PQR -# -_audit_conform.dict_name mmcif_pdbx.dic -_audit_conform.dict_version 5.329 -_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic -# -loop_ -_database_2.database_id -_database_2.database_code -PDB 3PQR -RCSB RCSB062705 -WWPDB D_1000062705 -# -_pdbx_database_related.db_name PDB -_pdbx_database_related.db_id 3PXO -_pdbx_database_related.details . -_pdbx_database_related.content_type unspecified -# -_pdbx_database_status.status_code REL -_pdbx_database_status.entry_id 3PQR -_pdbx_database_status.recvd_initial_deposition_date 2010-11-26 -_pdbx_database_status.deposit_site RCSB -_pdbx_database_status.process_site RCSB -_pdbx_database_status.status_code_sf REL -_pdbx_database_status.status_code_mr ? -_pdbx_database_status.SG_entry ? -_pdbx_database_status.status_code_cs ? -_pdbx_database_status.pdb_format_compatible Y -_pdbx_database_status.status_code_nmr_data ? -_pdbx_database_status.methods_development_category ? -# -loop_ -_audit_author.name -_audit_author.pdbx_ordinal -'Choe, H.-W.' 1 -'Kim, Y.J.' 2 -'Park, J.H.' 3 -'Morizumi, T.' 4 -'Pai, E.F.' 5 -'Krauss, N.' 6 -'Hofmann, K.P.' 7 -'Scheerer, P.' 8 -'Ernst, O.P.' 9 -# -_citation.id primary -_citation.title 'Crystal structure of metarhodopsin II.' -_citation.journal_abbrev Nature -_citation.journal_volume 471 -_citation.page_first 651 -_citation.page_last 655 -_citation.year 2011 -_citation.journal_id_ASTM NATUAS -_citation.country UK -_citation.journal_id_ISSN 0028-0836 -_citation.journal_id_CSD 0006 -_citation.book_publisher ? -_citation.pdbx_database_id_PubMed 21389988 -_citation.pdbx_database_id_DOI 10.1038/nature09789 -# -loop_ -_citation_author.citation_id -_citation_author.name -_citation_author.ordinal -_citation_author.identifier_ORCID -primary 'Choe, H.W.' 1 ? -primary 'Kim, Y.J.' 2 ? -primary 'Park, J.H.' 3 ? -primary 'Morizumi, T.' 4 ? -primary 'Pai, E.F.' 5 ? -primary 'Krauss, N.' 6 ? -primary 'Hofmann, K.P.' 7 ? -primary 'Scheerer, P.' 8 ? -primary 'Ernst, O.P.' 9 ? -# -_cell.entry_id 3PQR -_cell.length_a 241.550 -_cell.length_b 241.550 -_cell.length_c 109.870 -_cell.angle_alpha 90.00 -_cell.angle_beta 90.00 -_cell.angle_gamma 120.00 -_cell.Z_PDB 18 -_cell.pdbx_unique_axis ? -_cell.length_a_esd ? -_cell.length_b_esd ? -_cell.length_c_esd ? -_cell.angle_alpha_esd ? -_cell.angle_beta_esd ? -_cell.angle_gamma_esd ? -# -_symmetry.entry_id 3PQR -_symmetry.space_group_name_H-M 'H 3 2' -_symmetry.pdbx_full_space_group_name_H-M ? -_symmetry.cell_setting ? -_symmetry.Int_Tables_number 155 -_symmetry.space_group_name_Hall ? -# -loop_ -_entity.id -_entity.type -_entity.src_method -_entity.pdbx_description -_entity.formula_weight -_entity.pdbx_number_of_molecules -_entity.pdbx_ec -_entity.pdbx_mutation -_entity.pdbx_fragment -_entity.details -1 polymer nat Rhodopsin 39031.457 1 ? ? ? ? -2 polymer syn 'Guanine nucleotide-binding protein G(t) subunit alpha-1' 1261.487 1 ? K341L,C347V -'C-terminal peptide (UNP residues 340-350)' ? -3 branched man -;alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose -; -748.682 1 ? ? ? ? -4 branched man 'alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose' 342.297 1 ? ? ? ? -5 non-polymer syn RETINAL 284.436 1 ? ? ? ? -6 non-polymer man 2-acetamido-2-deoxy-beta-D-glucopyranose 221.208 1 ? ? ? -? -7 non-polymer man 'octyl beta-D-glucopyranoside' 292.369 2 ? ? ? ? -8 non-polymer syn 'PALMITIC ACID' 256.424 1 ? ? ? ? -9 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? -10 non-polymer syn 'ACETATE ION' 59.044 2 ? ? ? ? -11 water nat water 18.015 23 ? ? ? ? -# -loop_ -_entity_name_com.entity_id -_entity_name_com.name -1 'Active Metarhodopsin II with all-trans retinal' -2 'Galpha subunit of transducin, Transducin alpha-1 chain' -4 trehalose -# -loop_ -_entity_poly.entity_id -_entity_poly.type -_entity_poly.nstd_linkage -_entity_poly.nstd_monomer -_entity_poly.pdbx_seq_one_letter_code -_entity_poly.pdbx_seq_one_letter_code_can -_entity_poly.pdbx_strand_id -_entity_poly.pdbx_target_identifier -1 'polypeptide(L)' no no -;MNGTEGPNFYVPFSNKTGVVRSPFEAPQYYLAEPWQFSMLAAYMFLLIMLGFPINFLTLYVTVQHKKLRTPLNYILLNLA -VADLFMVFGGFTTTLYTSLHGYFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVCKPMSNFRFGENHAIMGVAFT -WVMALACAAPPLVGWSRYIPEGMQCSCGIDYYTPHEETNNESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEAAAQQQES -ATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQGSDFGPIFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTT -LCCGKNPLGDDEASTTVSKTETSQVAPA -; -;MNGTEGPNFYVPFSNKTGVVRSPFEAPQYYLAEPWQFSMLAAYMFLLIMLGFPINFLTLYVTVQHKKLRTPLNYILLNLA -VADLFMVFGGFTTTLYTSLHGYFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVCKPMSNFRFGENHAIMGVAFT -WVMALACAAPPLVGWSRYIPEGMQCSCGIDYYTPHEETNNESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEAAAQQQES -ATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQGSDFGPIFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTT -LCCGKNPLGDDEASTTVSKTETSQVAPA -; -A ? -2 'polypeptide(L)' no no ILENLKDVGLF ILENLKDVGLF B ? -# -loop_ -_entity_poly_seq.entity_id -_entity_poly_seq.num -_entity_poly_seq.mon_id -_entity_poly_seq.hetero -1 1 MET n -1 2 ASN n -1 3 GLY n -1 4 THR n -1 5 GLU n -1 6 GLY n -1 7 PRO n -1 8 ASN n -1 9 PHE n -1 10 TYR n -1 11 VAL n -1 12 PRO n -1 13 PHE n -1 14 SER n -1 15 ASN n -1 16 LYS n -1 17 THR n -1 18 GLY n -1 19 VAL n -1 20 VAL n -1 21 ARG n -1 22 SER n -1 23 PRO n -1 24 PHE n -1 25 GLU n -1 26 ALA n -1 27 PRO n -1 28 GLN n -1 29 TYR n -1 30 TYR n -1 31 LEU n -1 32 ALA n -1 33 GLU n -1 34 PRO n -1 35 TRP n -1 36 GLN n -1 37 PHE n -1 38 SER n -1 39 MET n -1 40 LEU n -1 41 ALA n -1 42 ALA n -1 43 TYR n -1 44 MET n -1 45 PHE n -1 46 LEU n -1 47 LEU n -1 48 ILE n -1 49 MET n -1 50 LEU n -1 51 GLY n -1 52 PHE n -1 53 PRO n -1 54 ILE n -1 55 ASN n -1 56 PHE n -1 57 LEU n -1 58 THR n -1 59 LEU n -1 60 TYR n -1 61 VAL n -1 62 THR n -1 63 VAL n -1 64 GLN n -1 65 HIS n -1 66 LYS n -1 67 LYS n -1 68 LEU n -1 69 ARG n -1 70 THR n -1 71 PRO n -1 72 LEU n -1 73 ASN n -1 74 TYR n -1 75 ILE n -1 76 LEU n -1 77 LEU n -1 78 ASN n -1 79 LEU n -1 80 ALA n -1 81 VAL n -1 82 ALA n -1 83 ASP n -1 84 LEU n -1 85 PHE n -1 86 MET n -1 87 VAL n -1 88 PHE n -1 89 GLY n -1 90 GLY n -1 91 PHE n -1 92 THR n -1 93 THR n -1 94 THR n -1 95 LEU n -1 96 TYR n -1 97 THR n -1 98 SER n -1 99 LEU n -1 100 HIS n -1 101 GLY n -1 102 TYR n -1 103 PHE n -1 104 VAL n -1 105 PHE n -1 106 GLY n -1 107 PRO n -1 108 THR n -1 109 GLY n -1 110 CYS n -1 111 ASN n -1 112 LEU n -1 113 GLU n -1 114 GLY n -1 115 PHE n -1 116 PHE n -1 117 ALA n -1 118 THR n -1 119 LEU n -1 120 GLY n -1 121 GLY n -1 122 GLU n -1 123 ILE n -1 124 ALA n -1 125 LEU n -1 126 TRP n -1 127 SER n -1 128 LEU n -1 129 VAL n -1 130 VAL n -1 131 LEU n -1 132 ALA n -1 133 ILE n -1 134 GLU n -1 135 ARG n -1 136 TYR n -1 137 VAL n -1 138 VAL n -1 139 VAL n -1 140 CYS n -1 141 LYS n -1 142 PRO n -1 143 MET n -1 144 SER n -1 145 ASN n -1 146 PHE n -1 147 ARG n -1 148 PHE n -1 149 GLY n -1 150 GLU n -1 151 ASN n -1 152 HIS n -1 153 ALA n -1 154 ILE n -1 155 MET n -1 156 GLY n -1 157 VAL n -1 158 ALA n -1 159 PHE n -1 160 THR n -1 161 TRP n -1 162 VAL n -1 163 MET n -1 164 ALA n -1 165 LEU n -1 166 ALA n -1 167 CYS n -1 168 ALA n -1 169 ALA n -1 170 PRO n -1 171 PRO n -1 172 LEU n -1 173 VAL n -1 174 GLY n -1 175 TRP n -1 176 SER n -1 177 ARG n -1 178 TYR n -1 179 ILE n -1 180 PRO n -1 181 GLU n -1 182 GLY n -1 183 MET n -1 184 GLN n -1 185 CYS n -1 186 SER n -1 187 CYS n -1 188 GLY n -1 189 ILE n -1 190 ASP n -1 191 TYR n -1 192 TYR n -1 193 THR n -1 194 PRO n -1 195 HIS n -1 196 GLU n -1 197 GLU n -1 198 THR n -1 199 ASN n -1 200 ASN n -1 201 GLU n -1 202 SER n -1 203 PHE n -1 204 VAL n -1 205 ILE n -1 206 TYR n -1 207 MET n -1 208 PHE n -1 209 VAL n -1 210 VAL n -1 211 HIS n -1 212 PHE n -1 213 ILE n -1 214 ILE n -1 215 PRO n -1 216 LEU n -1 217 ILE n -1 218 VAL n -1 219 ILE n -1 220 PHE n -1 221 PHE n -1 222 CYS n -1 223 TYR n -1 224 GLY n -1 225 GLN n -1 226 LEU n -1 227 VAL n -1 228 PHE n -1 229 THR n -1 230 VAL n -1 231 LYS n -1 232 GLU n -1 233 ALA n -1 234 ALA n -1 235 ALA n -1 236 GLN n -1 237 GLN n -1 238 GLN n -1 239 GLU n -1 240 SER n -1 241 ALA n -1 242 THR n -1 243 THR n -1 244 GLN n -1 245 LYS n -1 246 ALA n -1 247 GLU n -1 248 LYS n -1 249 GLU n -1 250 VAL n -1 251 THR n -1 252 ARG n -1 253 MET n -1 254 VAL n -1 255 ILE n -1 256 ILE n -1 257 MET n -1 258 VAL n -1 259 ILE n -1 260 ALA n -1 261 PHE n -1 262 LEU n -1 263 ILE n -1 264 CYS n -1 265 TRP n -1 266 LEU n -1 267 PRO n -1 268 TYR n -1 269 ALA n -1 270 GLY n -1 271 VAL n -1 272 ALA n -1 273 PHE n -1 274 TYR n -1 275 ILE n -1 276 PHE n -1 277 THR n -1 278 HIS n -1 279 GLN n -1 280 GLY n -1 281 SER n -1 282 ASP n -1 283 PHE n -1 284 GLY n -1 285 PRO n -1 286 ILE n -1 287 PHE n -1 288 MET n -1 289 THR n -1 290 ILE n -1 291 PRO n -1 292 ALA n -1 293 PHE n -1 294 PHE n -1 295 ALA n -1 296 LYS n -1 297 THR n -1 298 SER n -1 299 ALA n -1 300 VAL n -1 301 TYR n -1 302 ASN n -1 303 PRO n -1 304 VAL n -1 305 ILE n -1 306 TYR n -1 307 ILE n -1 308 MET n -1 309 MET n -1 310 ASN n -1 311 LYS n -1 312 GLN n -1 313 PHE n -1 314 ARG n -1 315 ASN n -1 316 CYS n -1 317 MET n -1 318 VAL n -1 319 THR n -1 320 THR n -1 321 LEU n -1 322 CYS n -1 323 CYS n -1 324 GLY n -1 325 LYS n -1 326 ASN n -1 327 PRO n -1 328 LEU n -1 329 GLY n -1 330 ASP n -1 331 ASP n -1 332 GLU n -1 333 ALA n -1 334 SER n -1 335 THR n -1 336 THR n -1 337 VAL n -1 338 SER n -1 339 LYS n -1 340 THR n -1 341 GLU n -1 342 THR n -1 343 SER n -1 344 GLN n -1 345 VAL n -1 346 ALA n -1 347 PRO n -1 348 ALA n -2 1 ILE n -2 2 LEU n -2 3 GLU n -2 4 ASN n -2 5 LEU n -2 6 LYS n -2 7 ASP n -2 8 VAL n -2 9 GLY n -2 10 LEU n -2 11 PHE n -# -_entity_src_nat.entity_id 1 -_entity_src_nat.pdbx_src_id 1 -_entity_src_nat.pdbx_alt_source_flag sample -_entity_src_nat.pdbx_beg_seq_num ? -_entity_src_nat.pdbx_end_seq_num ? -_entity_src_nat.common_name bovine -_entity_src_nat.pdbx_organism_scientific 'Bos taurus' -_entity_src_nat.pdbx_ncbi_taxonomy_id 9913 -_entity_src_nat.genus ? -_entity_src_nat.species ? -_entity_src_nat.strain ? -_entity_src_nat.tissue ? -_entity_src_nat.tissue_fraction ? -_entity_src_nat.pdbx_secretion ? -_entity_src_nat.pdbx_fragment ? -_entity_src_nat.pdbx_variant ? -_entity_src_nat.pdbx_cell_line ? -_entity_src_nat.pdbx_atcc ? -_entity_src_nat.pdbx_cellular_location ? -_entity_src_nat.pdbx_organ ? -_entity_src_nat.pdbx_organelle ? -_entity_src_nat.pdbx_cell ? -_entity_src_nat.pdbx_plasmid_name ? -_entity_src_nat.pdbx_plasmid_details ? -_entity_src_nat.details ? -# -_pdbx_entity_src_syn.entity_id 2 -_pdbx_entity_src_syn.pdbx_src_id 1 -_pdbx_entity_src_syn.pdbx_alt_source_flag sample -_pdbx_entity_src_syn.pdbx_beg_seq_num ? -_pdbx_entity_src_syn.pdbx_end_seq_num ? -_pdbx_entity_src_syn.organism_scientific 'Bos taurus' -_pdbx_entity_src_syn.organism_common_name bovine -_pdbx_entity_src_syn.ncbi_taxonomy_id 9913 -_pdbx_entity_src_syn.details 'chemically synthesized' -# -loop_ -_struct_ref.id -_struct_ref.db_name -_struct_ref.db_code -_struct_ref.pdbx_db_accession -_struct_ref.entity_id -_struct_ref.pdbx_seq_one_letter_code -_struct_ref.pdbx_align_begin -_struct_ref.pdbx_db_isoform -1 UNP OPSD_BOVIN P02699 1 -;MNGTEGPNFYVPFSNKTGVVRSPFEAPQYYLAEPWQFSMLAAYMFLLIMLGFPINFLTLYVTVQHKKLRTPLNYILLNLA -VADLFMVFGGFTTTLYTSLHGYFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVCKPMSNFRFGENHAIMGVAFT -WVMALACAAPPLVGWSRYIPEGMQCSCGIDYYTPHEETNNESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEAAAQQQES -ATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQGSDFGPIFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTT -LCCGKNPLGDDEASTTVSKTETSQVAPA -; -1 ? -2 UNP GNAT1_BOVIN P04695 2 IKENLKDCGLF 340 ? -# -loop_ -_struct_ref_seq.align_id -_struct_ref_seq.ref_id -_struct_ref_seq.pdbx_PDB_id_code -_struct_ref_seq.pdbx_strand_id -_struct_ref_seq.seq_align_beg -_struct_ref_seq.pdbx_seq_align_beg_ins_code -_struct_ref_seq.seq_align_end -_struct_ref_seq.pdbx_seq_align_end_ins_code -_struct_ref_seq.pdbx_db_accession -_struct_ref_seq.db_align_beg -_struct_ref_seq.pdbx_db_align_beg_ins_code -_struct_ref_seq.db_align_end -_struct_ref_seq.pdbx_db_align_end_ins_code -_struct_ref_seq.pdbx_auth_seq_align_beg -_struct_ref_seq.pdbx_auth_seq_align_end -1 1 3PQR A 1 ? 348 ? P02699 1 ? 348 ? 1 348 -2 2 3PQR B 1 ? 11 ? P04695 340 ? 350 ? 340 350 -# -loop_ -_struct_ref_seq_dif.align_id -_struct_ref_seq_dif.pdbx_pdb_id_code -_struct_ref_seq_dif.mon_id -_struct_ref_seq_dif.pdbx_pdb_strand_id -_struct_ref_seq_dif.seq_num -_struct_ref_seq_dif.pdbx_pdb_ins_code -_struct_ref_seq_dif.pdbx_seq_db_name -_struct_ref_seq_dif.pdbx_seq_db_accession_code -_struct_ref_seq_dif.db_mon_id -_struct_ref_seq_dif.pdbx_seq_db_seq_num -_struct_ref_seq_dif.details -_struct_ref_seq_dif.pdbx_auth_seq_num -_struct_ref_seq_dif.pdbx_ordinal -2 3PQR LEU B 2 ? UNP P04695 LYS 341 'engineered mutation' 341 1 -2 3PQR VAL B 8 ? UNP P04695 CYS 347 'engineered mutation' 347 2 -# -loop_ -_chem_comp.id -_chem_comp.type -_chem_comp.mon_nstd_flag -_chem_comp.name -_chem_comp.pdbx_synonyms -_chem_comp.formula -_chem_comp.formula_weight -ACT non-polymer . 'ACETATE ION' ? 'C2 H3 O2 -1' 59.044 -ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 -ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 -ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 -ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 -BMA 'D-saccharide, beta linking' . beta-D-mannopyranose ? 'C6 H12 O6' 180.156 -BOG D-saccharide n 'octyl beta-D-glucopyranoside' ? 'C14 H28 O6' 292.369 -CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 -GLC 'D-saccharide, alpha linking' . alpha-D-glucopyranose ? 'C6 H12 O6' 180.156 -GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 -GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 -GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 -HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 -HOH non-polymer . WATER ? 'H2 O' 18.015 -ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 -LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 -LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 -MAN 'D-saccharide, alpha linking' . alpha-D-mannopyranose ? 'C6 H12 O6' 180.156 -MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 -NAG 'D-saccharide, beta linking' . 2-acetamido-2-deoxy-beta-D-glucopyranose ? 'C8 H15 N O6' 221.208 -PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 -PLM non-polymer . 'PALMITIC ACID' ? 'C16 H32 O2' 256.424 -PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 -RET non-polymer . RETINAL ? 'C20 H28 O' 284.436 -SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 -SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 -THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 -TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 -TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 -VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 -# -_exptl.entry_id 3PQR -_exptl.method 'X-RAY DIFFRACTION' -_exptl.crystals_number 1 -# -_exptl_crystal.id 1 -_exptl_crystal.density_meas ? -_exptl_crystal.density_Matthews 7.65 -_exptl_crystal.density_percent_sol 83.93 -_exptl_crystal.description ? -_exptl_crystal.F_000 ? -_exptl_crystal.preparation ? -# -_exptl_crystal_grow.crystal_id 1 -_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' -_exptl_crystal_grow.temp 277 -_exptl_crystal_grow.temp_details ? -_exptl_crystal_grow.pH 5.6 -_exptl_crystal_grow.pdbx_details 'ammonium sulfate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K' -_exptl_crystal_grow.pdbx_pH_range ? -# -_diffrn.id 1 -_diffrn.ambient_temp 100 -_diffrn.ambient_temp_details ? -_diffrn.crystal_id 1 -# -_diffrn_detector.diffrn_id 1 -_diffrn_detector.detector CCD -_diffrn_detector.type 'MARMOSAIC 225 mm CCD' -_diffrn_detector.pdbx_collection_date 2010-05-05 -_diffrn_detector.details MIRRORS -# -_diffrn_radiation.diffrn_id 1 -_diffrn_radiation.wavelength_id 1 -_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M -_diffrn_radiation.monochromator 'SI-111 CRYSTAL - DOUBLE CRYSTAL MONOCHROMATOR' -_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' -_diffrn_radiation.pdbx_scattering_type x-ray -# -_diffrn_radiation_wavelength.id 1 -_diffrn_radiation_wavelength.wavelength 0.91841 -_diffrn_radiation_wavelength.wt 1.0 -# -_diffrn_source.diffrn_id 1 -_diffrn_source.source SYNCHROTRON -_diffrn_source.type 'BESSY BEAMLINE 14.2' -_diffrn_source.pdbx_synchrotron_site BESSY -_diffrn_source.pdbx_synchrotron_beamline 14.2 -_diffrn_source.pdbx_wavelength ? -_diffrn_source.pdbx_wavelength_list 0.91841 -# -_reflns.entry_id 3PQR -_reflns.observed_criterion_sigma_I 0 -_reflns.observed_criterion_sigma_F 0 -_reflns.d_resolution_low 34.865 -_reflns.d_resolution_high 2.849 -_reflns.number_obs 28448 -_reflns.number_all 28448 -_reflns.percent_possible_obs 99.2 -_reflns.pdbx_Rmerge_I_obs 0.059 -_reflns.pdbx_Rsym_value 0.059 -_reflns.pdbx_netI_over_sigmaI 15.9 -_reflns.B_iso_Wilson_estimate 68.315 -_reflns.pdbx_redundancy 3.8 -_reflns.R_free_details ? -_reflns.limit_h_max ? -_reflns.limit_h_min ? -_reflns.limit_k_max ? -_reflns.limit_k_min ? -_reflns.limit_l_max ? -_reflns.limit_l_min ? -_reflns.observed_criterion_F_max ? -_reflns.observed_criterion_F_min ? -_reflns.pdbx_chi_squared ? -_reflns.pdbx_scaling_rejects ? -_reflns.pdbx_diffrn_id 1 -_reflns.pdbx_ordinal 1 -# -_reflns_shell.d_res_high 2.85 -_reflns_shell.d_res_low 3.00 -_reflns_shell.percent_possible_all 98.6 -_reflns_shell.Rmerge_I_obs 0.409 -_reflns_shell.pdbx_Rsym_value 0.409 -_reflns_shell.meanI_over_sigI_obs 2.9 -_reflns_shell.pdbx_redundancy 3.8 -_reflns_shell.percent_possible_obs ? -_reflns_shell.number_unique_all 4086 -_reflns_shell.number_measured_all ? -_reflns_shell.number_measured_obs ? -_reflns_shell.number_unique_obs ? -_reflns_shell.pdbx_chi_squared ? -_reflns_shell.pdbx_diffrn_id ? -_reflns_shell.pdbx_ordinal 1 -# -_refine.entry_id 3PQR -_refine.ls_number_reflns_obs 27000 -_refine.ls_number_reflns_all 27000 -_refine.pdbx_ls_sigma_I 0 -_refine.pdbx_ls_sigma_F 0 -_refine.pdbx_data_cutoff_high_absF ? -_refine.pdbx_data_cutoff_low_absF ? -_refine.pdbx_data_cutoff_high_rms_absF ? -_refine.ls_d_res_low 34.86 -_refine.ls_d_res_high 2.85 -_refine.ls_percent_reflns_obs 100 -_refine.ls_R_factor_obs ? -_refine.ls_R_factor_all 0.21894 -_refine.ls_R_factor_R_work 0.21731 -_refine.ls_R_factor_R_free 0.24958 -_refine.ls_R_factor_R_free_error ? -_refine.ls_R_factor_R_free_error_details ? -_refine.ls_percent_reflns_R_free ? -_refine.ls_number_reflns_R_free 1422 -_refine.ls_number_parameters ? -_refine.ls_number_restraints ? -_refine.occupancy_min ? -_refine.occupancy_max ? -_refine.correlation_coeff_Fo_to_Fc ? -_refine.correlation_coeff_Fo_to_Fc_free ? -_refine.B_iso_mean ? -_refine.aniso_B[1][1] -5.27 -_refine.aniso_B[2][2] -5.27 -_refine.aniso_B[3][3] 7.91 -_refine.aniso_B[1][2] -2.64 -_refine.aniso_B[1][3] 0.00000 -_refine.aniso_B[2][3] 0.00000 -_refine.solvent_model_details ? -_refine.solvent_model_param_ksol ? -_refine.solvent_model_param_bsol ? -_refine.pdbx_solvent_vdw_probe_radii ? -_refine.pdbx_solvent_ion_probe_radii ? -_refine.pdbx_solvent_shrinkage_radii ? -_refine.pdbx_ls_cross_valid_method THROUGHOUT -_refine.details ? -_refine.pdbx_starting_model 'PDB ENTRY 3DQB' -_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' -_refine.pdbx_isotropic_thermal_model Anisotropic -_refine.pdbx_stereochemistry_target_values 'Engh & Huber' -_refine.pdbx_stereochem_target_val_spec_case ? -_refine.pdbx_R_Free_selection_details RANDOM -_refine.pdbx_overall_ESU_R_Free ? -_refine.overall_SU_ML ? -_refine.overall_SU_B ? -_refine.overall_SU_R_Cruickshank_DPI ? -_refine.ls_redundancy_reflns_obs ? -_refine.B_iso_min ? -_refine.B_iso_max ? -_refine.overall_SU_R_free ? -_refine.ls_wR_factor_R_free ? -_refine.ls_wR_factor_R_work ? -_refine.overall_FOM_free_R_set ? -_refine.overall_FOM_work_R_set ? -_refine.pdbx_overall_phase_error ? -_refine.pdbx_refine_id 'X-RAY DIFFRACTION' -_refine.pdbx_overall_ESU_R ? -_refine.pdbx_diffrn_id 1 -_refine.pdbx_TLS_residual_ADP_flag ? -_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? -_refine.pdbx_overall_SU_R_Blow_DPI ? -_refine.pdbx_overall_SU_R_free_Blow_DPI ? -# -_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' -_refine_hist.cycle_id LAST -_refine_hist.pdbx_number_atoms_protein 2681 -_refine_hist.pdbx_number_atoms_nucleic_acid 0 -_refine_hist.pdbx_number_atoms_ligand 177 -_refine_hist.number_atoms_solvent 23 -_refine_hist.number_atoms_total 2881 -_refine_hist.d_res_high 2.85 -_refine_hist.d_res_low 34.86 -# -loop_ -_refine_ls_restr.type -_refine_ls_restr.dev_ideal -_refine_ls_restr.dev_ideal_target -_refine_ls_restr.weight -_refine_ls_restr.number -_refine_ls_restr.pdbx_refine_id -_refine_ls_restr.pdbx_restraint_function -r_bond_refined_d 0.009 ? ? ? 'X-RAY DIFFRACTION' ? -r_angle_refined_deg 1.256 ? ? ? 'X-RAY DIFFRACTION' ? -# -_refine_ls_shell.pdbx_total_number_of_bins_used ? -_refine_ls_shell.d_res_high 2.85 -_refine_ls_shell.d_res_low 2.922 -_refine_ls_shell.number_reflns_R_work ? -_refine_ls_shell.R_factor_R_work 0.307 -_refine_ls_shell.percent_reflns_obs 100 -_refine_ls_shell.R_factor_R_free 0.392 -_refine_ls_shell.R_factor_R_free_error 0 -_refine_ls_shell.percent_reflns_R_free ? -_refine_ls_shell.number_reflns_R_free 104 -_refine_ls_shell.number_reflns_all ? -_refine_ls_shell.R_factor_all ? -_refine_ls_shell.number_reflns_obs 1964 -_refine_ls_shell.redundancy_reflns_obs ? -_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' -# -_struct.entry_id 3PQR -_struct.title -'Crystal structure of Metarhodopsin II in complex with a C-terminal peptide derived from the Galpha subunit of transducin' -_struct.pdbx_descriptor 'Rhodopsin, GaCT2 - C-terminal derived peptide from the Galpha subunit of transducin' -_struct.pdbx_model_details ? -_struct.pdbx_CASP_flag ? -_struct.pdbx_model_type_details ? -# -_struct_keywords.entry_id 3PQR -_struct_keywords.pdbx_keywords 'SIGNALING PROTEIN' -_struct_keywords.text -;protein, retinal protein, photoreceptor, active state, chromophore, G-protein coupled receptor, glycoprotein, lipoprotein, palmitate, phosphoprotein, photoreceptor protein, sensory transduction, transducer, transmembrane, vision, signaling protein, G-protein, transducin, Galpha subunit, membrane, receptor, GTP-binding, myristate, nucleotide-binding, G-protein-coupled receptor, rhodopsin, opsin -; -# -loop_ -_struct_asym.id -_struct_asym.pdbx_blank_PDB_chainid_flag -_struct_asym.pdbx_modified -_struct_asym.entity_id -_struct_asym.details -A N N 1 ? -B N N 2 ? -C N N 3 ? -D N N 4 ? -E N N 5 ? -F N N 6 ? -G N N 7 ? -H N N 7 ? -I N N 8 ? -J N N 9 ? -K N N 10 ? -L N N 10 ? -M N N 11 ? -N N N 11 ? -# -_struct_biol.id 1 -_struct_biol.details ? -# -loop_ -_struct_conf.conf_type_id -_struct_conf.id -_struct_conf.pdbx_PDB_helix_id -_struct_conf.beg_label_comp_id -_struct_conf.beg_label_asym_id -_struct_conf.beg_label_seq_id -_struct_conf.pdbx_beg_PDB_ins_code -_struct_conf.end_label_comp_id -_struct_conf.end_label_asym_id -_struct_conf.end_label_seq_id -_struct_conf.pdbx_end_PDB_ins_code -_struct_conf.beg_auth_comp_id -_struct_conf.beg_auth_asym_id -_struct_conf.beg_auth_seq_id -_struct_conf.end_auth_comp_id -_struct_conf.end_auth_asym_id -_struct_conf.end_auth_seq_id -_struct_conf.pdbx_PDB_helix_class -_struct_conf.details -_struct_conf.pdbx_PDB_helix_length -HELX_P HELX_P1 1 SER A 14 ? GLY A 18 ? SER A 14 GLY A 18 5 ? 5 -HELX_P HELX_P2 2 GLU A 33 ? HIS A 65 ? GLU A 33 HIS A 65 1 ? 33 -HELX_P HELX_P3 3 LYS A 66 ? ARG A 69 ? LYS A 66 ARG A 69 5 ? 4 -HELX_P HELX_P4 4 THR A 70 ? LEU A 72 ? THR A 70 LEU A 72 5 ? 3 -HELX_P HELX_P5 5 ASN A 73 ? GLY A 90 ? ASN A 73 GLY A 90 1 ? 18 -HELX_P HELX_P6 6 GLY A 90 ? GLY A 101 ? GLY A 90 GLY A 101 1 ? 12 -HELX_P HELX_P7 7 PHE A 105 ? LYS A 141 ? PHE A 105 LYS A 141 1 ? 37 -HELX_P HELX_P8 8 GLY A 149 ? ALA A 169 ? GLY A 149 ALA A 169 1 ? 21 -HELX_P HELX_P9 9 PRO A 170 ? VAL A 173 ? PRO A 170 VAL A 173 5 ? 4 -HELX_P HELX_P10 10 HIS A 195 ? THR A 198 ? HIS A 195 THR A 198 5 ? 4 -HELX_P HELX_P11 11 ASN A 199 ? PHE A 212 ? ASN A 199 PHE A 212 1 ? 14 -HELX_P HELX_P12 12 PHE A 212 ? GLN A 236 ? PHE A 212 GLN A 236 1 ? 25 -HELX_P HELX_P13 13 SER A 240 ? HIS A 278 ? SER A 240 HIS A 278 1 ? 39 -HELX_P HELX_P14 14 ILE A 286 ? MET A 288 ? ILE A 286 MET A 288 5 ? 3 -HELX_P HELX_P15 15 THR A 289 ? ILE A 307 ? THR A 289 ILE A 307 1 ? 19 -HELX_P HELX_P16 16 ASN A 310 ? CYS A 322 ? ASN A 310 CYS A 322 1 ? 13 -HELX_P HELX_P17 17 ILE B 1 ? VAL B 8 ? ILE B 340 VAL B 347 1 ? 8 -# -_struct_conf_type.id HELX_P -_struct_conf_type.criteria ? -_struct_conf_type.reference ? -# -loop_ -_struct_conn.id -_struct_conn.conn_type_id -_struct_conn.pdbx_leaving_atom_flag -_struct_conn.pdbx_PDB_id -_struct_conn.ptnr1_label_asym_id -_struct_conn.ptnr1_label_comp_id -_struct_conn.ptnr1_label_seq_id -_struct_conn.ptnr1_label_atom_id -_struct_conn.pdbx_ptnr1_label_alt_id -_struct_conn.pdbx_ptnr1_PDB_ins_code -_struct_conn.pdbx_ptnr1_standard_comp_id -_struct_conn.ptnr1_symmetry -_struct_conn.ptnr2_label_asym_id -_struct_conn.ptnr2_label_comp_id -_struct_conn.ptnr2_label_seq_id -_struct_conn.ptnr2_label_atom_id -_struct_conn.pdbx_ptnr2_label_alt_id -_struct_conn.pdbx_ptnr2_PDB_ins_code -_struct_conn.ptnr1_auth_asym_id -_struct_conn.ptnr1_auth_comp_id -_struct_conn.ptnr1_auth_seq_id -_struct_conn.ptnr2_auth_asym_id -_struct_conn.ptnr2_auth_comp_id -_struct_conn.ptnr2_auth_seq_id -_struct_conn.ptnr2_symmetry -_struct_conn.pdbx_ptnr3_label_atom_id -_struct_conn.pdbx_ptnr3_label_seq_id -_struct_conn.pdbx_ptnr3_label_comp_id -_struct_conn.pdbx_ptnr3_label_asym_id -_struct_conn.pdbx_ptnr3_label_alt_id -_struct_conn.pdbx_ptnr3_PDB_ins_code -_struct_conn.details -_struct_conn.pdbx_dist_value -_struct_conn.pdbx_value_order -_struct_conn.pdbx_role -disulf1 disulf ? ? A CYS 110 SG ? ? ? 1_555 A CYS 187 SG ? ? A CYS 110 A CYS 187 1_555 ? ? ? ? ? ? ? 2.047 ? ? -covale1 covale one ? A ASN 2 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 2 A NAG 501 1_555 ? ? ? ? ? ? ? 1.334 ? -N-Glycosylation -covale2 covale one ? A ASN 15 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 15 C NAG 1 1_555 ? ? ? ? ? ? ? 1.334 ? -N-Glycosylation -covale3 covale one ? A LYS 296 NZ ? ? ? 1_555 E RET . C15 ? ? A LYS 296 A RET 401 1_555 ? ? ? ? ? ? ? 1.337 ? ? -covale4 covale one ? A CYS 323 SG ? ? ? 1_555 I PLM . C1 ? ? A CYS 323 A PLM 701 1_555 ? ? ? ? ? ? ? 1.833 ? ? -covale5 covale both ? C NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? C NAG 1 C NAG 2 1_555 ? ? ? ? ? ? ? 1.424 ? ? -covale6 covale both ? C NAG . O4 ? ? ? 1_555 C BMA . C1 ? ? C NAG 2 C BMA 3 1_555 ? ? ? ? ? ? ? 1.430 ? ? -covale7 covale both ? C BMA . O3 ? ? ? 1_555 C MAN . C1 ? ? C BMA 3 C MAN 4 1_555 ? ? ? ? ? ? ? 1.453 ? ? -covale8 covale both ? D GLC . C1 ? ? ? 1_555 D GLC . O1 ? ? D GLC 1 D GLC 2 1_555 ? ? ? ? ? ? ? 1.449 sing ? -# -loop_ -_struct_conn_type.id -_struct_conn_type.criteria -_struct_conn_type.reference -disulf ? ? -covale ? ? -# -loop_ -_struct_sheet.id -_struct_sheet.type -_struct_sheet.number_strands -_struct_sheet.details -A ? 2 ? -B ? 2 ? -# -loop_ -_struct_sheet_order.sheet_id -_struct_sheet_order.range_id_1 -_struct_sheet_order.range_id_2 -_struct_sheet_order.offset -_struct_sheet_order.sense -A 1 2 ? anti-parallel -B 1 2 ? anti-parallel -# -loop_ -_struct_sheet_range.sheet_id -_struct_sheet_range.id -_struct_sheet_range.beg_label_comp_id -_struct_sheet_range.beg_label_asym_id -_struct_sheet_range.beg_label_seq_id -_struct_sheet_range.pdbx_beg_PDB_ins_code -_struct_sheet_range.end_label_comp_id -_struct_sheet_range.end_label_asym_id -_struct_sheet_range.end_label_seq_id -_struct_sheet_range.pdbx_end_PDB_ins_code -_struct_sheet_range.beg_auth_comp_id -_struct_sheet_range.beg_auth_asym_id -_struct_sheet_range.beg_auth_seq_id -_struct_sheet_range.end_auth_comp_id -_struct_sheet_range.end_auth_asym_id -_struct_sheet_range.end_auth_seq_id -A 1 THR A 4 ? GLY A 6 ? THR A 4 GLY A 6 -A 2 PHE A 9 ? VAL A 11 ? PHE A 9 VAL A 11 -B 1 TYR A 178 ? GLU A 181 ? TYR A 178 GLU A 181 -B 2 SER A 186 ? ILE A 189 ? SER A 186 ILE A 189 -# -loop_ -_pdbx_struct_sheet_hbond.sheet_id -_pdbx_struct_sheet_hbond.range_id_1 -_pdbx_struct_sheet_hbond.range_id_2 -_pdbx_struct_sheet_hbond.range_1_label_atom_id -_pdbx_struct_sheet_hbond.range_1_label_comp_id -_pdbx_struct_sheet_hbond.range_1_label_asym_id -_pdbx_struct_sheet_hbond.range_1_label_seq_id -_pdbx_struct_sheet_hbond.range_1_PDB_ins_code -_pdbx_struct_sheet_hbond.range_1_auth_atom_id -_pdbx_struct_sheet_hbond.range_1_auth_comp_id -_pdbx_struct_sheet_hbond.range_1_auth_asym_id -_pdbx_struct_sheet_hbond.range_1_auth_seq_id -_pdbx_struct_sheet_hbond.range_2_label_atom_id -_pdbx_struct_sheet_hbond.range_2_label_comp_id -_pdbx_struct_sheet_hbond.range_2_label_asym_id -_pdbx_struct_sheet_hbond.range_2_label_seq_id -_pdbx_struct_sheet_hbond.range_2_PDB_ins_code -_pdbx_struct_sheet_hbond.range_2_auth_atom_id -_pdbx_struct_sheet_hbond.range_2_auth_comp_id -_pdbx_struct_sheet_hbond.range_2_auth_asym_id -_pdbx_struct_sheet_hbond.range_2_auth_seq_id -A 1 2 N THR A 4 ? N THR A 4 O VAL A 11 ? O VAL A 11 -B 1 2 N GLU A 181 ? N GLU A 181 O SER A 186 ? O SER A 186 -# -_database_PDB_matrix.entry_id 3PQR -_database_PDB_matrix.origx[1][1] 1.000000 -_database_PDB_matrix.origx[1][2] 0.000000 -_database_PDB_matrix.origx[1][3] 0.000000 -_database_PDB_matrix.origx[2][1] 0.000000 -_database_PDB_matrix.origx[2][2] 1.000000 -_database_PDB_matrix.origx[2][3] 0.000000 -_database_PDB_matrix.origx[3][1] 0.000000 -_database_PDB_matrix.origx[3][2] 0.000000 -_database_PDB_matrix.origx[3][3] 1.000000 -_database_PDB_matrix.origx_vector[1] 0.00000 -_database_PDB_matrix.origx_vector[2] 0.00000 -_database_PDB_matrix.origx_vector[3] 0.00000 -# -_atom_sites.entry_id 3PQR -_atom_sites.fract_transf_matrix[1][1] 0.004140 -_atom_sites.fract_transf_matrix[1][2] 0.002390 -_atom_sites.fract_transf_matrix[1][3] 0.000000 -_atom_sites.fract_transf_matrix[2][1] 0.000000 -_atom_sites.fract_transf_matrix[2][2] 0.004780 -_atom_sites.fract_transf_matrix[2][3] 0.000000 -_atom_sites.fract_transf_matrix[3][1] 0.000000 -_atom_sites.fract_transf_matrix[3][2] 0.000000 -_atom_sites.fract_transf_matrix[3][3] 0.009102 -_atom_sites.fract_transf_vector[1] 0.00000 -_atom_sites.fract_transf_vector[2] 0.00000 -_atom_sites.fract_transf_vector[3] 0.00000 -# -loop_ -_atom_type.symbol -C -N -O -S -# -loop_ -_atom_site.group_PDB -_atom_site.id -_atom_site.type_symbol -_atom_site.label_atom_id -_atom_site.label_alt_id -_atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id -_atom_site.label_seq_id -_atom_site.pdbx_PDB_ins_code -_atom_site.Cartn_x -_atom_site.Cartn_y -_atom_site.Cartn_z -_atom_site.occupancy -_atom_site.B_iso_or_equiv -_atom_site.pdbx_formal_charge -_atom_site.auth_seq_id -_atom_site.auth_comp_id -_atom_site.auth_asym_id -_atom_site.auth_atom_id -_atom_site.pdbx_PDB_model_num -ATOM 1 N N . MET A 1 1 ? -68.369 -25.337 40.428 1.00 94.93 ? 1 MET A N 1 -ATOM 2 C CA . MET A 1 1 ? -67.927 -23.984 39.965 1.00 96.06 ? 1 MET A CA 1 -ATOM 3 C C . MET A 1 1 ? -67.471 -23.097 41.120 1.00 94.71 ? 1 MET A C 1 -ATOM 4 O O . MET A 1 1 ? -68.051 -23.124 42.213 1.00 97.40 ? 1 MET A O 1 -ATOM 5 C CB . MET A 1 1 ? -69.034 -23.292 39.172 1.00 96.16 ? 1 MET A CB 1 -ATOM 6 C CG . MET A 1 1 ? -68.864 -23.394 37.669 1.00 102.75 ? 1 MET A CG 1 -ATOM 7 S SD . MET A 1 1 ? -70.140 -22.509 36.753 1.00 115.34 ? 1 MET A SD 1 -ATOM 8 C CE . MET A 1 1 ? -70.088 -20.904 37.537 1.00 111.04 ? 1 MET A CE 1 -ATOM 9 N N . ASN A 1 2 ? -66.433 -22.304 40.876 1.00 89.83 ? 2 ASN A N 1 -ATOM 10 C CA . ASN A 1 2 ? -65.839 -21.504 41.945 1.00 86.96 ? 2 ASN A CA 1 -ATOM 11 C C . ASN A 1 2 ? -65.272 -20.166 41.479 1.00 80.27 ? 2 ASN A C 1 -ATOM 12 O O . ASN A 1 2 ? -64.650 -19.450 42.256 1.00 78.88 ? 2 ASN A O 1 -ATOM 13 C CB . ASN A 1 2 ? -64.780 -22.321 42.690 1.00 88.41 ? 2 ASN A CB 1 -ATOM 14 C CG . ASN A 1 2 ? -64.002 -23.239 41.765 1.00 96.34 ? 2 ASN A CG 1 -ATOM 15 O OD1 . ASN A 1 2 ? -63.924 -23.001 40.552 1.00 97.21 ? 2 ASN A OD1 1 -ATOM 16 N ND2 . ASN A 1 2 ? -63.428 -24.300 42.328 1.00 106.34 ? 2 ASN A ND2 1 -ATOM 17 N N . GLY A 1 3 ? -65.496 -19.841 40.209 1.00 74.37 ? 3 GLY A N 1 -ATOM 18 C CA . GLY A 1 3 ? -65.193 -18.522 39.679 1.00 63.97 ? 3 GLY A CA 1 -ATOM 19 C C . GLY A 1 3 ? -66.447 -17.823 39.174 1.00 59.30 ? 3 GLY A C 1 -ATOM 20 O O . GLY A 1 3 ? -67.557 -18.334 39.301 1.00 56.14 ? 3 GLY A O 1 -ATOM 21 N N . THR A 1 4 ? -66.258 -16.640 38.601 1.00 55.12 ? 4 THR A N 1 -ATOM 22 C CA . THR A 1 4 ? -67.320 -15.906 37.947 1.00 48.96 ? 4 THR A CA 1 -ATOM 23 C C . THR A 1 4 ? -66.747 -15.180 36.739 1.00 51.63 ? 4 THR A C 1 -ATOM 24 O O . THR A 1 4 ? -65.943 -14.275 36.892 1.00 55.46 ? 4 THR A O 1 -ATOM 25 C CB . THR A 1 4 ? -67.944 -14.893 38.899 1.00 45.81 ? 4 THR A CB 1 -ATOM 26 O OG1 . THR A 1 4 ? -68.588 -15.591 39.971 1.00 41.96 ? 4 THR A OG1 1 -ATOM 27 C CG2 . THR A 1 4 ? -68.962 -14.045 38.166 1.00 39.62 ? 4 THR A CG2 1 -ATOM 28 N N . GLU A 1 5 ? -67.153 -15.571 35.537 1.00 52.73 ? 5 GLU A N 1 -ATOM 29 C CA . GLU A 1 5 ? -66.585 -14.969 34.333 1.00 51.46 ? 5 GLU A CA 1 -ATOM 30 C C . GLU A 1 5 ? -67.333 -13.726 33.887 1.00 51.09 ? 5 GLU A C 1 -ATOM 31 O O . GLU A 1 5 ? -68.517 -13.569 34.155 1.00 53.52 ? 5 GLU A O 1 -ATOM 32 C CB . GLU A 1 5 ? -66.550 -15.975 33.193 1.00 52.23 ? 5 GLU A CB 1 -ATOM 33 C CG . GLU A 1 5 ? -66.015 -17.335 33.581 1.00 58.71 ? 5 GLU A CG 1 -ATOM 34 C CD . GLU A 1 5 ? -66.139 -18.330 32.455 1.00 70.13 ? 5 GLU A CD 1 -ATOM 35 O OE1 . GLU A 1 5 ? -67.061 -19.171 32.503 1.00 78.23 ? 5 GLU A OE1 1 -ATOM 36 O OE2 . GLU A 1 5 ? -65.334 -18.253 31.505 1.00 73.40 ? 5 GLU A OE2 1 -ATOM 37 N N . GLY A 1 6 ? -66.619 -12.848 33.197 1.00 51.86 ? 6 GLY A N 1 -ATOM 38 C CA . GLY A 1 6 ? -67.164 -11.610 32.664 1.00 51.11 ? 6 GLY A CA 1 -ATOM 39 C C . GLY A 1 6 ? -66.395 -11.336 31.392 1.00 53.07 ? 6 GLY A C 1 -ATOM 40 O O . GLY A 1 6 ? -65.390 -12.002 31.137 1.00 50.69 ? 6 GLY A O 1 -ATOM 41 N N . PRO A 1 7 ? -66.874 -10.378 30.572 1.00 56.42 ? 7 PRO A N 1 -ATOM 42 C CA . PRO A 1 7 ? -66.263 -10.037 29.288 1.00 56.80 ? 7 PRO A CA 1 -ATOM 43 C C . PRO A 1 7 ? -64.739 -9.935 29.365 1.00 61.55 ? 7 PRO A C 1 -ATOM 44 O O . PRO A 1 7 ? -64.046 -10.606 28.575 1.00 65.55 ? 7 PRO A O 1 -ATOM 45 C CB . PRO A 1 7 ? -66.890 -8.690 28.950 1.00 53.94 ? 7 PRO A CB 1 -ATOM 46 C CG . PRO A 1 7 ? -68.251 -8.795 29.504 1.00 57.09 ? 7 PRO A CG 1 -ATOM 47 C CD . PRO A 1 7 ? -68.119 -9.615 30.788 1.00 58.88 ? 7 PRO A CD 1 -ATOM 48 N N . ASN A 1 8 ? -64.196 -9.133 30.286 1.00 57.41 ? 8 ASN A N 1 -ATOM 49 C CA . ASN A 1 8 ? -62.744 -9.205 30.466 1.00 54.82 ? 8 ASN A CA 1 -ATOM 50 C C . ASN A 1 8 ? -62.226 -9.197 31.901 1.00 54.43 ? 8 ASN A C 1 -ATOM 51 O O . ASN A 1 8 ? -61.494 -8.296 32.316 1.00 57.06 ? 8 ASN A O 1 -ATOM 52 C CB . ASN A 1 8 ? -61.984 -8.237 29.549 1.00 51.77 ? 8 ASN A CB 1 -ATOM 53 C CG . ASN A 1 8 ? -62.649 -6.907 29.432 1.00 54.93 ? 8 ASN A CG 1 -ATOM 54 O OD1 . ASN A 1 8 ? -63.240 -6.408 30.386 1.00 68.62 ? 8 ASN A OD1 1 -ATOM 55 N ND2 . ASN A 1 8 ? -62.554 -6.306 28.255 1.00 57.71 ? 8 ASN A ND2 1 -ATOM 56 N N . PHE A 1 9 ? -62.591 -10.241 32.637 1.00 50.16 ? 9 PHE A N 1 -ATOM 57 C CA . PHE A 1 9 ? -62.118 -10.427 33.990 1.00 49.37 ? 9 PHE A CA 1 -ATOM 58 C C . PHE A 1 9 ? -62.508 -11.820 34.467 1.00 50.65 ? 9 PHE A C 1 -ATOM 59 O O . PHE A 1 9 ? -63.328 -12.473 33.847 1.00 53.49 ? 9 PHE A O 1 -ATOM 60 C CB . PHE A 1 9 ? -62.712 -9.368 34.908 1.00 47.70 ? 9 PHE A CB 1 -ATOM 61 C CG . PHE A 1 9 ? -64.202 -9.457 35.045 1.00 49.43 ? 9 PHE A CG 1 -ATOM 62 C CD1 . PHE A 1 9 ? -64.791 -10.531 35.699 1.00 46.89 ? 9 PHE A CD1 1 -ATOM 63 C CD2 . PHE A 1 9 ? -65.021 -8.458 34.530 1.00 53.67 ? 9 PHE A CD2 1 -ATOM 64 C CE1 . PHE A 1 9 ? -66.169 -10.612 35.821 1.00 51.85 ? 9 PHE A CE1 1 -ATOM 65 C CE2 . PHE A 1 9 ? -66.401 -8.533 34.656 1.00 44.09 ? 9 PHE A CE2 1 -ATOM 66 C CZ . PHE A 1 9 ? -66.973 -9.607 35.295 1.00 47.94 ? 9 PHE A CZ 1 -ATOM 67 N N . TYR A 1 10 ? -61.911 -12.276 35.561 1.00 50.46 ? 10 TYR A N 1 -ATOM 68 C CA . TYR A 1 10 ? -62.271 -13.556 36.136 1.00 49.40 ? 10 TYR A CA 1 -ATOM 69 C C . TYR A 1 10 ? -62.233 -13.471 37.670 1.00 49.83 ? 10 TYR A C 1 -ATOM 70 O O . TYR A 1 10 ? -61.205 -13.692 38.293 1.00 55.15 ? 10 TYR A O 1 -ATOM 71 C CB . TYR A 1 10 ? -61.348 -14.672 35.606 1.00 46.54 ? 10 TYR A CB 1 -ATOM 72 C CG . TYR A 1 10 ? -61.644 -16.022 36.237 1.00 54.28 ? 10 TYR A CG 1 -ATOM 73 C CD1 . TYR A 1 10 ? -62.641 -16.856 35.721 1.00 54.15 ? 10 TYR A CD1 1 -ATOM 74 C CD2 . TYR A 1 10 ? -60.954 -16.449 37.373 1.00 57.69 ? 10 TYR A CD2 1 -ATOM 75 C CE1 . TYR A 1 10 ? -62.928 -18.080 36.308 1.00 59.11 ? 10 TYR A CE1 1 -ATOM 76 C CE2 . TYR A 1 10 ? -61.234 -17.669 37.970 1.00 65.40 ? 10 TYR A CE2 1 -ATOM 77 C CZ . TYR A 1 10 ? -62.222 -18.481 37.432 1.00 68.69 ? 10 TYR A CZ 1 -ATOM 78 O OH . TYR A 1 10 ? -62.501 -19.689 38.028 1.00 71.20 ? 10 TYR A OH 1 -ATOM 79 N N . VAL A 1 11 ? -63.346 -13.141 38.294 1.00 47.71 ? 11 VAL A N 1 -ATOM 80 C CA . VAL A 1 11 ? -63.342 -13.071 39.738 1.00 49.47 ? 11 VAL A CA 1 -ATOM 81 C C . VAL A 1 11 ? -63.240 -14.468 40.326 1.00 54.64 ? 11 VAL A C 1 -ATOM 82 O O . VAL A 1 11 ? -64.105 -15.301 40.082 1.00 58.83 ? 11 VAL A O 1 -ATOM 83 C CB . VAL A 1 11 ? -64.591 -12.383 40.264 1.00 48.59 ? 11 VAL A CB 1 -ATOM 84 C CG1 . VAL A 1 11 ? -64.571 -12.327 41.794 1.00 42.59 ? 11 VAL A CG1 1 -ATOM 85 C CG2 . VAL A 1 11 ? -64.710 -10.989 39.638 1.00 48.57 ? 11 VAL A CG2 1 -ATOM 86 N N . PRO A 1 12 ? -62.180 -14.733 41.112 1.00 57.54 ? 12 PRO A N 1 -ATOM 87 C CA . PRO A 1 12 ? -62.015 -16.060 41.716 1.00 54.64 ? 12 PRO A CA 1 -ATOM 88 C C . PRO A 1 12 ? -62.935 -16.274 42.912 1.00 53.84 ? 12 PRO A C 1 -ATOM 89 O O . PRO A 1 12 ? -62.458 -16.605 43.990 1.00 55.55 ? 12 PRO A O 1 -ATOM 90 C CB . PRO A 1 12 ? -60.566 -16.043 42.191 1.00 54.17 ? 12 PRO A CB 1 -ATOM 91 C CG . PRO A 1 12 ? -60.298 -14.607 42.496 1.00 54.57 ? 12 PRO A CG 1 -ATOM 92 C CD . PRO A 1 12 ? -61.087 -13.812 41.488 1.00 54.93 ? 12 PRO A CD 1 -ATOM 93 N N . PHE A 1 13 ? -64.239 -16.085 42.725 1.00 52.87 ? 13 PHE A N 1 -ATOM 94 C CA . PHE A 1 13 ? -65.228 -16.346 43.774 1.00 53.66 ? 13 PHE A CA 1 -ATOM 95 C C . PHE A 1 13 ? -66.532 -16.723 43.065 1.00 57.33 ? 13 PHE A C 1 -ATOM 96 O O . PHE A 1 13 ? -66.889 -16.123 42.043 1.00 58.86 ? 13 PHE A O 1 -ATOM 97 C CB . PHE A 1 13 ? -65.401 -15.103 44.654 1.00 53.94 ? 13 PHE A CB 1 -ATOM 98 C CG . PHE A 1 13 ? -66.132 -15.338 45.958 1.00 48.30 ? 13 PHE A CG 1 -ATOM 99 C CD1 . PHE A 1 13 ? -65.480 -15.873 47.053 1.00 50.26 ? 13 PHE A CD1 1 -ATOM 100 C CD2 . PHE A 1 13 ? -67.460 -14.945 46.107 1.00 54.95 ? 13 PHE A CD2 1 -ATOM 101 C CE1 . PHE A 1 13 ? -66.154 -16.064 48.267 1.00 49.26 ? 13 PHE A CE1 1 -ATOM 102 C CE2 . PHE A 1 13 ? -68.143 -15.125 47.322 1.00 47.21 ? 13 PHE A CE2 1 -ATOM 103 C CZ . PHE A 1 13 ? -67.489 -15.686 48.396 1.00 47.57 ? 13 PHE A CZ 1 -ATOM 104 N N . SER A 1 14 ? -67.225 -17.732 43.583 1.00 57.25 ? 14 SER A N 1 -ATOM 105 C CA . SER A 1 14 ? -68.459 -18.197 42.964 1.00 57.19 ? 14 SER A CA 1 -ATOM 106 C C . SER A 1 14 ? -69.612 -17.230 43.218 1.00 56.75 ? 14 SER A C 1 -ATOM 107 O O . SER A 1 14 ? -69.782 -16.740 44.338 1.00 55.45 ? 14 SER A O 1 -ATOM 108 C CB . SER A 1 14 ? -68.820 -19.600 43.459 1.00 58.06 ? 14 SER A CB 1 -ATOM 109 O OG . SER A 1 14 ? -70.225 -19.779 43.524 1.00 57.75 ? 14 SER A OG 1 -ATOM 110 N N . ASN A 1 15 ? -70.403 -16.975 42.175 1.00 53.67 ? 15 ASN A N 1 -ATOM 111 C CA . ASN A 1 15 ? -71.548 -16.083 42.278 1.00 53.43 ? 15 ASN A CA 1 -ATOM 112 C C . ASN A 1 15 ? -72.822 -16.824 42.661 1.00 56.12 ? 15 ASN A C 1 -ATOM 113 O O . ASN A 1 15 ? -73.925 -16.293 42.532 1.00 58.63 ? 15 ASN A O 1 -ATOM 114 C CB . ASN A 1 15 ? -71.748 -15.298 40.979 1.00 50.91 ? 15 ASN A CB 1 -ATOM 115 C CG . ASN A 1 15 ? -72.476 -13.974 41.192 1.00 52.26 ? 15 ASN A CG 1 -ATOM 116 O OD1 . ASN A 1 15 ? -72.675 -13.520 42.330 1.00 52.40 ? 15 ASN A OD1 1 -ATOM 117 N ND2 . ASN A 1 15 ? -72.870 -13.341 40.091 1.00 47.30 ? 15 ASN A ND2 1 -ATOM 118 N N . LYS A 1 16 ? -72.683 -18.044 43.162 1.00 58.20 ? 16 LYS A N 1 -ATOM 119 C CA . LYS A 1 16 ? -73.867 -18.795 43.553 1.00 60.47 ? 16 LYS A CA 1 -ATOM 120 C C . LYS A 1 16 ? -74.761 -18.037 44.537 1.00 59.96 ? 16 LYS A C 1 -ATOM 121 O O . LYS A 1 16 ? -75.957 -18.288 44.587 1.00 66.59 ? 16 LYS A O 1 -ATOM 122 C CB . LYS A 1 16 ? -73.512 -20.195 44.061 1.00 60.95 ? 16 LYS A CB 1 -ATOM 123 C CG . LYS A 1 16 ? -73.296 -20.318 45.554 1.00 71.49 ? 16 LYS A CG 1 -ATOM 124 C CD . LYS A 1 16 ? -72.801 -21.726 45.900 1.00 83.69 ? 16 LYS A CD 1 -ATOM 125 C CE . LYS A 1 16 ? -71.460 -22.023 45.229 1.00 87.58 ? 16 LYS A CE 1 -ATOM 126 N NZ . LYS A 1 16 ? -71.194 -23.481 45.057 1.00 93.37 ? 16 LYS A NZ 1 -ATOM 127 N N . THR A 1 17 ? -74.204 -17.101 45.300 1.00 59.44 ? 17 THR A N 1 -ATOM 128 C CA . THR A 1 17 ? -75.031 -16.279 46.197 1.00 57.55 ? 17 THR A CA 1 -ATOM 129 C C . THR A 1 17 ? -75.359 -14.917 45.601 1.00 57.27 ? 17 THR A C 1 -ATOM 130 O O . THR A 1 17 ? -76.012 -14.094 46.248 1.00 55.51 ? 17 THR A O 1 -ATOM 131 C CB . THR A 1 17 ? -74.406 -16.086 47.593 1.00 56.59 ? 17 THR A CB 1 -ATOM 132 O OG1 . THR A 1 17 ? -73.302 -15.180 47.505 1.00 62.70 ? 17 THR A OG1 1 -ATOM 133 C CG2 . THR A 1 17 ? -73.937 -17.414 48.167 1.00 54.52 ? 17 THR A CG2 1 -ATOM 134 N N . GLY A 1 18 ? -74.894 -14.686 44.371 1.00 58.18 ? 18 GLY A N 1 -ATOM 135 C CA . GLY A 1 18 ? -75.241 -13.479 43.607 1.00 57.48 ? 18 GLY A CA 1 -ATOM 136 C C . GLY A 1 18 ? -74.550 -12.189 44.004 1.00 57.04 ? 18 GLY A C 1 -ATOM 137 O O . GLY A 1 18 ? -74.843 -11.142 43.439 1.00 58.81 ? 18 GLY A O 1 -ATOM 138 N N . VAL A 1 19 ? -73.629 -12.268 44.967 1.00 58.15 ? 19 VAL A N 1 -ATOM 139 C CA . VAL A 1 19 ? -72.878 -11.098 45.489 1.00 54.08 ? 19 VAL A CA 1 -ATOM 140 C C . VAL A 1 19 ? -71.695 -10.602 44.619 1.00 54.61 ? 19 VAL A C 1 -ATOM 141 O O . VAL A 1 19 ? -71.238 -9.472 44.792 1.00 57.35 ? 19 VAL A O 1 -ATOM 142 C CB . VAL A 1 19 ? -72.310 -11.364 46.913 1.00 51.26 ? 19 VAL A CB 1 -ATOM 143 C CG1 . VAL A 1 19 ? -73.383 -11.898 47.841 1.00 46.33 ? 19 VAL A CG1 1 -ATOM 144 C CG2 . VAL A 1 19 ? -71.127 -12.324 46.850 1.00 44.77 ? 19 VAL A CG2 1 -ATOM 145 N N . VAL A 1 20 ? -71.192 -11.435 43.707 1.00 50.77 ? 20 VAL A N 1 -ATOM 146 C CA . VAL A 1 20 ? -70.031 -11.061 42.922 1.00 49.73 ? 20 VAL A CA 1 -ATOM 147 C C . VAL A 1 20 ? -70.322 -9.865 42.022 1.00 52.73 ? 20 VAL A C 1 -ATOM 148 O O . VAL A 1 20 ? -71.307 -9.864 41.289 1.00 54.77 ? 20 VAL A O 1 -ATOM 149 C CB . VAL A 1 20 ? -69.513 -12.230 42.063 1.00 49.93 ? 20 VAL A CB 1 -ATOM 150 C CG1 . VAL A 1 20 ? -68.409 -11.751 41.117 1.00 45.00 ? 20 VAL A CG1 1 -ATOM 151 C CG2 . VAL A 1 20 ? -69.002 -13.361 42.944 1.00 47.64 ? 20 VAL A CG2 1 -ATOM 152 N N . ARG A 1 21 ? -69.460 -8.849 42.087 1.00 54.13 ? 21 ARG A N 1 -ATOM 153 C CA . ARG A 1 21 ? -69.536 -7.690 41.182 1.00 53.68 ? 21 ARG A CA 1 -ATOM 154 C C . ARG A 1 21 ? -68.299 -7.601 40.298 1.00 51.79 ? 21 ARG A C 1 -ATOM 155 O O . ARG A 1 21 ? -67.241 -8.095 40.664 1.00 51.39 ? 21 ARG A O 1 -ATOM 156 C CB . ARG A 1 21 ? -69.677 -6.388 41.972 1.00 51.00 ? 21 ARG A CB 1 -ATOM 157 C CG . ARG A 1 21 ? -70.810 -6.385 42.964 1.00 53.51 ? 21 ARG A CG 1 -ATOM 158 C CD . ARG A 1 21 ? -72.160 -6.111 42.291 1.00 61.37 ? 21 ARG A CD 1 -ATOM 159 N NE . ARG A 1 21 ? -73.277 -6.286 43.223 1.00 62.60 ? 21 ARG A NE 1 -ATOM 160 C CZ . ARG A 1 21 ? -73.822 -7.462 43.533 1.00 64.39 ? 21 ARG A CZ 1 -ATOM 161 N NH1 . ARG A 1 21 ? -73.361 -8.584 42.987 1.00 65.50 ? 21 ARG A NH1 1 -ATOM 162 N NH2 . ARG A 1 21 ? -74.831 -7.521 44.391 1.00 60.13 ? 21 ARG A NH2 1 -ATOM 163 N N . SER A 1 22 ? -68.440 -6.973 39.135 1.00 52.77 ? 22 SER A N 1 -ATOM 164 C CA . SER A 1 22 ? -67.303 -6.658 38.272 1.00 53.58 ? 22 SER A CA 1 -ATOM 165 C C . SER A 1 22 ? -66.164 -5.990 39.075 1.00 57.12 ? 22 SER A C 1 -ATOM 166 O O . SER A 1 22 ? -66.406 -5.051 39.844 1.00 58.08 ? 22 SER A O 1 -ATOM 167 C CB . SER A 1 22 ? -67.769 -5.729 37.153 1.00 51.60 ? 22 SER A CB 1 -ATOM 168 O OG . SER A 1 22 ? -66.710 -5.321 36.307 1.00 52.15 ? 22 SER A OG 1 -ATOM 169 N N . PRO A 1 23 ? -64.919 -6.476 38.912 1.00 56.47 ? 23 PRO A N 1 -ATOM 170 C CA . PRO A 1 23 ? -63.778 -5.811 39.537 1.00 56.12 ? 23 PRO A CA 1 -ATOM 171 C C . PRO A 1 23 ? -63.484 -4.414 38.966 1.00 55.56 ? 23 PRO A C 1 -ATOM 172 O O . PRO A 1 23 ? -62.684 -3.677 39.545 1.00 55.86 ? 23 PRO A O 1 -ATOM 173 C CB . PRO A 1 23 ? -62.614 -6.770 39.261 1.00 57.73 ? 23 PRO A CB 1 -ATOM 174 C CG . PRO A 1 23 ? -63.047 -7.584 38.112 1.00 57.05 ? 23 PRO A CG 1 -ATOM 175 C CD . PRO A 1 23 ? -64.527 -7.736 38.261 1.00 57.57 ? 23 PRO A CD 1 -ATOM 176 N N . PHE A 1 24 ? -64.126 -4.051 37.855 1.00 52.97 ? 24 PHE A N 1 -ATOM 177 C CA . PHE A 1 24 ? -64.075 -2.675 37.368 1.00 51.28 ? 24 PHE A CA 1 -ATOM 178 C C . PHE A 1 24 ? -65.215 -1.792 37.889 1.00 53.09 ? 24 PHE A C 1 -ATOM 179 O O . PHE A 1 24 ? -65.270 -0.614 37.557 1.00 56.04 ? 24 PHE A O 1 -ATOM 180 C CB . PHE A 1 24 ? -64.103 -2.625 35.845 1.00 48.81 ? 24 PHE A CB 1 -ATOM 181 C CG . PHE A 1 24 ? -63.051 -3.442 35.194 1.00 52.42 ? 24 PHE A CG 1 -ATOM 182 C CD1 . PHE A 1 24 ? -61.708 -3.155 35.388 1.00 59.48 ? 24 PHE A CD1 1 -ATOM 183 C CD2 . PHE A 1 24 ? -63.396 -4.498 34.367 1.00 55.66 ? 24 PHE A CD2 1 -ATOM 184 C CE1 . PHE A 1 24 ? -60.719 -3.920 34.775 1.00 53.25 ? 24 PHE A CE1 1 -ATOM 185 C CE2 . PHE A 1 24 ? -62.419 -5.264 33.749 1.00 56.62 ? 24 PHE A CE2 1 -ATOM 186 C CZ . PHE A 1 24 ? -61.075 -4.975 33.959 1.00 56.20 ? 24 PHE A CZ 1 -ATOM 187 N N . GLU A 1 25 ? -66.125 -2.333 38.693 1.00 55.34 ? 25 GLU A N 1 -ATOM 188 C CA . GLU A 1 25 ? -67.348 -1.585 39.031 1.00 55.39 ? 25 GLU A CA 1 -ATOM 189 C C . GLU A 1 25 ? -67.630 -1.376 40.512 1.00 52.23 ? 25 GLU A C 1 -ATOM 190 O O . GLU A 1 25 ? -68.163 -0.355 40.891 1.00 56.27 ? 25 GLU A O 1 -ATOM 191 C CB . GLU A 1 25 ? -68.575 -2.222 38.366 1.00 57.01 ? 25 GLU A CB 1 -ATOM 192 C CG . GLU A 1 25 ? -68.655 -2.017 36.856 1.00 66.24 ? 25 GLU A CG 1 -ATOM 193 C CD . GLU A 1 25 ? -68.488 -0.562 36.454 1.00 79.16 ? 25 GLU A CD 1 -ATOM 194 O OE1 . GLU A 1 25 ? -68.698 0.326 37.312 1.00 85.94 ? 25 GLU A OE1 1 -ATOM 195 O OE2 . GLU A 1 25 ? -68.146 -0.304 35.281 1.00 80.98 ? 25 GLU A OE2 1 -ATOM 196 N N . ALA A 1 26 ? -67.289 -2.338 41.350 1.00 50.32 ? 26 ALA A N 1 -ATOM 197 C CA . ALA A 1 26 ? -67.614 -2.235 42.761 1.00 48.74 ? 26 ALA A CA 1 -ATOM 198 C C . ALA A 1 26 ? -66.647 -3.046 43.630 1.00 50.74 ? 26 ALA A C 1 -ATOM 199 O O . ALA A 1 26 ? -65.996 -3.988 43.153 1.00 49.62 ? 26 ALA A O 1 -ATOM 200 C CB . ALA A 1 26 ? -69.033 -2.684 42.992 1.00 48.42 ? 26 ALA A CB 1 -ATOM 201 N N . PRO A 1 27 ? -66.547 -2.681 44.917 1.00 50.85 ? 27 PRO A N 1 -ATOM 202 C CA . PRO A 1 27 ? -65.598 -3.312 45.842 1.00 50.87 ? 27 PRO A CA 1 -ATOM 203 C C . PRO A 1 27 ? -65.738 -4.828 45.885 1.00 51.32 ? 27 PRO A C 1 -ATOM 204 O O . PRO A 1 27 ? -66.827 -5.345 45.653 1.00 57.06 ? 27 PRO A O 1 -ATOM 205 C CB . PRO A 1 27 ? -65.982 -2.707 47.187 1.00 50.02 ? 27 PRO A CB 1 -ATOM 206 C CG . PRO A 1 27 ? -66.546 -1.364 46.831 1.00 49.56 ? 27 PRO A CG 1 -ATOM 207 C CD . PRO A 1 27 ? -67.252 -1.541 45.530 1.00 48.03 ? 27 PRO A CD 1 -ATOM 208 N N . GLN A 1 28 ? -64.648 -5.532 46.173 1.00 48.02 ? 28 GLN A N 1 -ATOM 209 C CA . GLN A 1 28 ? -64.658 -6.987 46.169 1.00 45.83 ? 28 GLN A CA 1 -ATOM 210 C C . GLN A 1 28 ? -64.590 -7.513 47.581 1.00 47.72 ? 28 GLN A C 1 -ATOM 211 O O . GLN A 1 28 ? -63.922 -8.521 47.839 1.00 50.00 ? 28 GLN A O 1 -ATOM 212 C CB . GLN A 1 28 ? -63.481 -7.539 45.365 1.00 41.07 ? 28 GLN A CB 1 -ATOM 213 C CG . GLN A 1 28 ? -63.376 -6.979 43.954 1.00 49.29 ? 28 GLN A CG 1 -ATOM 214 C CD . GLN A 1 28 ? -64.463 -7.494 43.011 1.00 51.36 ? 28 GLN A CD 1 -ATOM 215 O OE1 . GLN A 1 28 ? -65.165 -6.711 42.370 1.00 51.15 ? 28 GLN A OE1 1 -ATOM 216 N NE2 . GLN A 1 28 ? -64.599 -8.815 42.923 1.00 43.55 ? 28 GLN A NE2 1 -ATOM 217 N N . TYR A 1 29 ? -65.281 -6.849 48.503 1.00 48.74 ? 29 TYR A N 1 -ATOM 218 C CA . TYR A 1 29 ? -65.111 -7.189 49.918 1.00 50.76 ? 29 TYR A CA 1 -ATOM 219 C C . TYR A 1 29 ? -65.673 -8.562 50.271 1.00 50.53 ? 29 TYR A C 1 -ATOM 220 O O . TYR A 1 29 ? -65.607 -8.997 51.418 1.00 54.60 ? 29 TYR A O 1 -ATOM 221 C CB . TYR A 1 29 ? -65.640 -6.080 50.842 1.00 49.77 ? 29 TYR A CB 1 -ATOM 222 C CG . TYR A 1 29 ? -64.945 -4.725 50.656 1.00 58.40 ? 29 TYR A CG 1 -ATOM 223 C CD1 . TYR A 1 29 ? -63.550 -4.613 50.703 1.00 64.65 ? 29 TYR A CD1 1 -ATOM 224 C CD2 . TYR A 1 29 ? -65.683 -3.561 50.444 1.00 54.56 ? 29 TYR A CD2 1 -ATOM 225 C CE1 . TYR A 1 29 ? -62.915 -3.379 50.534 1.00 59.18 ? 29 TYR A CE1 1 -ATOM 226 C CE2 . TYR A 1 29 ? -65.058 -2.326 50.280 1.00 52.38 ? 29 TYR A CE2 1 -ATOM 227 C CZ . TYR A 1 29 ? -63.676 -2.242 50.326 1.00 58.06 ? 29 TYR A CZ 1 -ATOM 228 O OH . TYR A 1 29 ? -63.057 -1.019 50.162 1.00 51.27 ? 29 TYR A OH 1 -ATOM 229 N N . TYR A 1 30 ? -66.192 -9.264 49.270 1.00 49.80 ? 30 TYR A N 1 -ATOM 230 C CA . TYR A 1 30 ? -66.700 -10.619 49.473 1.00 50.12 ? 30 TYR A CA 1 -ATOM 231 C C . TYR A 1 30 ? -65.641 -11.697 49.215 1.00 52.61 ? 30 TYR A C 1 -ATOM 232 O O . TYR A 1 30 ? -65.832 -12.853 49.604 1.00 55.45 ? 30 TYR A O 1 -ATOM 233 C CB . TYR A 1 30 ? -67.915 -10.873 48.585 1.00 46.36 ? 30 TYR A CB 1 -ATOM 234 C CG . TYR A 1 30 ? -67.645 -10.550 47.142 1.00 44.87 ? 30 TYR A CG 1 -ATOM 235 C CD1 . TYR A 1 30 ? -66.919 -11.428 46.331 1.00 40.09 ? 30 TYR A CD1 1 -ATOM 236 C CD2 . TYR A 1 30 ? -68.092 -9.360 46.590 1.00 35.74 ? 30 TYR A CD2 1 -ATOM 237 C CE1 . TYR A 1 30 ? -66.660 -11.126 45.009 1.00 42.58 ? 30 TYR A CE1 1 -ATOM 238 C CE2 . TYR A 1 30 ? -67.837 -9.045 45.261 1.00 42.51 ? 30 TYR A CE2 1 -ATOM 239 C CZ . TYR A 1 30 ? -67.125 -9.930 44.478 1.00 47.78 ? 30 TYR A CZ 1 -ATOM 240 O OH . TYR A 1 30 ? -66.877 -9.613 43.161 1.00 57.20 ? 30 TYR A OH 1 -ATOM 241 N N . LEU A 1 31 ? -64.540 -11.345 48.548 1.00 52.33 ? 31 LEU A N 1 -ATOM 242 C CA . LEU A 1 31 ? -63.462 -12.321 48.355 1.00 53.45 ? 31 LEU A CA 1 -ATOM 243 C C . LEU A 1 31 ? -62.261 -12.053 49.255 1.00 53.47 ? 31 LEU A C 1 -ATOM 244 O O . LEU A 1 31 ? -61.243 -12.736 49.172 1.00 55.95 ? 31 LEU A O 1 -ATOM 245 C CB . LEU A 1 31 ? -63.044 -12.437 46.885 1.00 52.96 ? 31 LEU A CB 1 -ATOM 246 C CG . LEU A 1 31 ? -62.677 -11.152 46.171 1.00 54.25 ? 31 LEU A CG 1 -ATOM 247 C CD1 . LEU A 1 31 ? -61.563 -10.483 46.929 1.00 59.35 ? 31 LEU A CD1 1 -ATOM 248 C CD2 . LEU A 1 31 ? -62.267 -11.449 44.747 1.00 50.43 ? 31 LEU A CD2 1 -ATOM 249 N N . ALA A 1 32 ? -62.402 -11.059 50.125 1.00 55.12 ? 32 ALA A N 1 -ATOM 250 C CA . ALA A 1 32 ? -61.406 -10.734 51.136 1.00 52.49 ? 32 ALA A CA 1 -ATOM 251 C C . ALA A 1 32 ? -61.955 -9.599 51.968 1.00 51.33 ? 32 ALA A C 1 -ATOM 252 O O . ALA A 1 32 ? -62.608 -8.696 51.440 1.00 51.88 ? 32 ALA A O 1 -ATOM 253 C CB . ALA A 1 32 ? -60.095 -10.317 50.490 1.00 54.45 ? 32 ALA A CB 1 -ATOM 254 N N . GLU A 1 33 ? -61.688 -9.648 53.267 1.00 49.48 ? 33 GLU A N 1 -ATOM 255 C CA . GLU A 1 33 ? -62.119 -8.613 54.197 1.00 46.72 ? 33 GLU A CA 1 -ATOM 256 C C . GLU A 1 33 ? -61.553 -7.242 53.833 1.00 50.25 ? 33 GLU A C 1 -ATOM 257 O O . GLU A 1 33 ? -60.484 -7.146 53.216 1.00 54.53 ? 33 GLU A O 1 -ATOM 258 C CB . GLU A 1 33 ? -61.611 -8.971 55.568 1.00 44.25 ? 33 GLU A CB 1 -ATOM 259 C CG . GLU A 1 33 ? -61.958 -10.342 55.994 1.00 49.54 ? 33 GLU A CG 1 -ATOM 260 C CD . GLU A 1 33 ? -63.274 -10.366 56.697 1.00 68.16 ? 33 GLU A CD 1 -ATOM 261 O OE1 . GLU A 1 33 ? -64.268 -9.882 56.108 1.00 67.39 ? 33 GLU A OE1 1 -ATOM 262 O OE2 . GLU A 1 33 ? -63.304 -10.851 57.849 1.00 82.35 ? 33 GLU A OE2 1 -ATOM 263 N N . PRO A 1 34 ? -62.250 -6.160 54.226 1.00 50.72 ? 34 PRO A N 1 -ATOM 264 C CA . PRO A 1 34 ? -61.636 -4.849 53.989 1.00 49.24 ? 34 PRO A CA 1 -ATOM 265 C C . PRO A 1 34 ? -60.240 -4.701 54.612 1.00 48.30 ? 34 PRO A C 1 -ATOM 266 O O . PRO A 1 34 ? -59.407 -3.983 54.071 1.00 48.05 ? 34 PRO A O 1 -ATOM 267 C CB . PRO A 1 34 ? -62.627 -3.884 54.637 1.00 44.58 ? 34 PRO A CB 1 -ATOM 268 C CG . PRO A 1 34 ? -63.915 -4.587 54.529 1.00 45.35 ? 34 PRO A CG 1 -ATOM 269 C CD . PRO A 1 34 ? -63.615 -6.030 54.762 1.00 46.84 ? 34 PRO A CD 1 -ATOM 270 N N . TRP A 1 35 ? -59.969 -5.367 55.729 1.00 50.11 ? 35 TRP A N 1 -ATOM 271 C CA . TRP A 1 35 ? -58.682 -5.136 56.379 1.00 53.08 ? 35 TRP A CA 1 -ATOM 272 C C . TRP A 1 35 ? -57.557 -5.722 55.550 1.00 54.25 ? 35 TRP A C 1 -ATOM 273 O O . TRP A 1 35 ? -56.511 -5.104 55.376 1.00 58.25 ? 35 TRP A O 1 -ATOM 274 C CB . TRP A 1 35 ? -58.653 -5.637 57.817 1.00 50.26 ? 35 TRP A CB 1 -ATOM 275 C CG . TRP A 1 35 ? -58.664 -7.103 57.987 1.00 51.69 ? 35 TRP A CG 1 -ATOM 276 C CD1 . TRP A 1 35 ? -59.746 -7.876 58.250 1.00 50.84 ? 35 TRP A CD1 1 -ATOM 277 C CD2 . TRP A 1 35 ? -57.532 -7.988 57.963 1.00 56.16 ? 35 TRP A CD2 1 -ATOM 278 N NE1 . TRP A 1 35 ? -59.371 -9.195 58.381 1.00 53.26 ? 35 TRP A NE1 1 -ATOM 279 C CE2 . TRP A 1 35 ? -58.016 -9.292 58.213 1.00 54.14 ? 35 TRP A CE2 1 -ATOM 280 C CE3 . TRP A 1 35 ? -56.159 -7.807 57.749 1.00 55.77 ? 35 TRP A CE3 1 -ATOM 281 C CZ2 . TRP A 1 35 ? -57.179 -10.415 58.246 1.00 44.66 ? 35 TRP A CZ2 1 -ATOM 282 C CZ3 . TRP A 1 35 ? -55.323 -8.925 57.799 1.00 51.36 ? 35 TRP A CZ3 1 -ATOM 283 C CH2 . TRP A 1 35 ? -55.841 -10.211 58.043 1.00 44.04 ? 35 TRP A CH2 1 -ATOM 284 N N . GLN A 1 36 ? -57.798 -6.901 55.005 1.00 53.00 ? 36 GLN A N 1 -ATOM 285 C CA . GLN A 1 36 ? -56.872 -7.494 54.075 1.00 48.94 ? 36 GLN A CA 1 -ATOM 286 C C . GLN A 1 36 ? -56.598 -6.588 52.860 1.00 47.52 ? 36 GLN A C 1 -ATOM 287 O O . GLN A 1 36 ? -55.499 -6.614 52.306 1.00 47.75 ? 36 GLN A O 1 -ATOM 288 C CB . GLN A 1 36 ? -57.386 -8.857 53.652 1.00 49.14 ? 36 GLN A CB 1 -ATOM 289 C CG . GLN A 1 36 ? -57.578 -9.802 54.815 1.00 48.25 ? 36 GLN A CG 1 -ATOM 290 C CD . GLN A 1 36 ? -58.189 -11.116 54.381 1.00 56.27 ? 36 GLN A CD 1 -ATOM 291 O OE1 . GLN A 1 36 ? -59.294 -11.153 53.833 1.00 58.65 ? 36 GLN A OE1 1 -ATOM 292 N NE2 . GLN A 1 36 ? -57.468 -12.204 54.613 1.00 61.03 ? 36 GLN A NE2 1 -ATOM 293 N N . PHE A 1 37 ? -57.572 -5.786 52.441 1.00 44.83 ? 37 PHE A N 1 -ATOM 294 C CA . PHE A 1 37 ? -57.282 -4.808 51.382 1.00 46.82 ? 37 PHE A CA 1 -ATOM 295 C C . PHE A 1 37 ? -56.332 -3.718 51.874 1.00 45.80 ? 37 PHE A C 1 -ATOM 296 O O . PHE A 1 37 ? -55.462 -3.257 51.127 1.00 44.87 ? 37 PHE A O 1 -ATOM 297 C CB . PHE A 1 37 ? -58.551 -4.209 50.763 1.00 43.53 ? 37 PHE A CB 1 -ATOM 298 C CG . PHE A 1 37 ? -59.229 -5.136 49.821 1.00 51.06 ? 37 PHE A CG 1 -ATOM 299 C CD1 . PHE A 1 37 ? -58.924 -5.105 48.457 1.00 49.43 ? 37 PHE A CD1 1 -ATOM 300 C CD2 . PHE A 1 37 ? -60.151 -6.078 50.295 1.00 48.65 ? 37 PHE A CD2 1 -ATOM 301 C CE1 . PHE A 1 37 ? -59.545 -5.993 47.562 1.00 47.77 ? 37 PHE A CE1 1 -ATOM 302 C CE2 . PHE A 1 37 ? -60.779 -6.962 49.414 1.00 53.01 ? 37 PHE A CE2 1 -ATOM 303 C CZ . PHE A 1 37 ? -60.468 -6.923 48.040 1.00 51.24 ? 37 PHE A CZ 1 -ATOM 304 N N . SER A 1 38 ? -56.498 -3.328 53.137 1.00 44.29 ? 38 SER A N 1 -ATOM 305 C CA . SER A 1 38 ? -55.626 -2.345 53.762 1.00 42.72 ? 38 SER A CA 1 -ATOM 306 C C . SER A 1 38 ? -54.184 -2.854 53.866 1.00 41.93 ? 38 SER A C 1 -ATOM 307 O O . SER A 1 38 ? -53.226 -2.105 53.603 1.00 37.21 ? 38 SER A O 1 -ATOM 308 C CB . SER A 1 38 ? -56.166 -1.977 55.132 1.00 41.90 ? 38 SER A CB 1 -ATOM 309 O OG . SER A 1 38 ? -57.451 -1.426 54.986 1.00 42.72 ? 38 SER A OG 1 -ATOM 310 N N . MET A 1 39 ? -54.045 -4.129 54.233 1.00 40.01 ? 39 MET A N 1 -ATOM 311 C CA . MET A 1 39 ? -52.747 -4.784 54.260 1.00 39.73 ? 39 MET A CA 1 -ATOM 312 C C . MET A 1 39 ? -52.159 -4.872 52.861 1.00 42.81 ? 39 MET A C 1 -ATOM 313 O O . MET A 1 39 ? -50.959 -4.733 52.685 1.00 45.01 ? 39 MET A O 1 -ATOM 314 C CB . MET A 1 39 ? -52.858 -6.156 54.895 1.00 36.25 ? 39 MET A CB 1 -ATOM 315 C CG . MET A 1 39 ? -53.133 -6.095 56.406 1.00 48.75 ? 39 MET A CG 1 -ATOM 316 S SD . MET A 1 39 ? -51.888 -5.147 57.332 1.00 58.00 ? 39 MET A SD 1 -ATOM 317 C CE . MET A 1 39 ? -52.378 -3.474 56.962 1.00 61.35 ? 39 MET A CE 1 -ATOM 318 N N . LEU A 1 40 ? -52.999 -5.091 51.855 1.00 43.93 ? 40 LEU A N 1 -ATOM 319 C CA . LEU A 1 40 ? -52.505 -5.044 50.509 1.00 42.62 ? 40 LEU A CA 1 -ATOM 320 C C . LEU A 1 40 ? -51.927 -3.645 50.318 1.00 44.13 ? 40 LEU A C 1 -ATOM 321 O O . LEU A 1 40 ? -50.792 -3.492 49.878 1.00 48.13 ? 40 LEU A O 1 -ATOM 322 C CB . LEU A 1 40 ? -53.615 -5.346 49.489 1.00 43.44 ? 40 LEU A CB 1 -ATOM 323 C CG . LEU A 1 40 ? -53.310 -5.018 48.010 1.00 41.97 ? 40 LEU A CG 1 -ATOM 324 C CD1 . LEU A 1 40 ? -52.195 -5.863 47.434 1.00 28.27 ? 40 LEU A CD1 1 -ATOM 325 C CD2 . LEU A 1 40 ? -54.532 -5.158 47.139 1.00 54.51 ? 40 LEU A CD2 1 -ATOM 326 N N . ALA A 1 41 ? -52.700 -2.619 50.662 1.00 43.26 ? 41 ALA A N 1 -ATOM 327 C CA . ALA A 1 41 ? -52.240 -1.245 50.482 1.00 42.68 ? 41 ALA A CA 1 -ATOM 328 C C . ALA A 1 41 ? -51.008 -0.974 51.345 1.00 43.99 ? 41 ALA A C 1 -ATOM 329 O O . ALA A 1 41 ? -50.085 -0.290 50.914 1.00 46.13 ? 41 ALA A O 1 -ATOM 330 C CB . ALA A 1 41 ? -53.348 -0.254 50.797 1.00 41.57 ? 41 ALA A CB 1 -ATOM 331 N N . ALA A 1 42 ? -50.995 -1.513 52.563 1.00 40.83 ? 42 ALA A N 1 -ATOM 332 C CA . ALA A 1 42 ? -49.833 -1.392 53.410 1.00 38.19 ? 42 ALA A CA 1 -ATOM 333 C C . ALA A 1 42 ? -48.598 -1.942 52.666 1.00 41.95 ? 42 ALA A C 1 -ATOM 334 O O . ALA A 1 42 ? -47.547 -1.298 52.600 1.00 44.96 ? 42 ALA A O 1 -ATOM 335 C CB . ALA A 1 42 ? -50.060 -2.113 54.719 1.00 34.20 ? 42 ALA A CB 1 -ATOM 336 N N . TYR A 1 43 ? -48.727 -3.122 52.078 1.00 43.48 ? 43 TYR A N 1 -ATOM 337 C CA . TYR A 1 43 ? -47.604 -3.698 51.363 1.00 43.63 ? 43 TYR A CA 1 -ATOM 338 C C . TYR A 1 43 ? -47.149 -2.852 50.165 1.00 43.55 ? 43 TYR A C 1 -ATOM 339 O O . TYR A 1 43 ? -45.955 -2.690 49.937 1.00 44.55 ? 43 TYR A O 1 -ATOM 340 C CB . TYR A 1 43 ? -47.879 -5.136 50.937 1.00 40.87 ? 43 TYR A CB 1 -ATOM 341 C CG . TYR A 1 43 ? -46.597 -5.894 50.754 1.00 46.57 ? 43 TYR A CG 1 -ATOM 342 C CD1 . TYR A 1 43 ? -45.836 -6.285 51.866 1.00 46.77 ? 43 TYR A CD1 1 -ATOM 343 C CD2 . TYR A 1 43 ? -46.112 -6.184 49.480 1.00 45.70 ? 43 TYR A CD2 1 -ATOM 344 C CE1 . TYR A 1 43 ? -44.645 -6.965 51.718 1.00 46.45 ? 43 TYR A CE1 1 -ATOM 345 C CE2 . TYR A 1 43 ? -44.909 -6.873 49.314 1.00 53.82 ? 43 TYR A CE2 1 -ATOM 346 C CZ . TYR A 1 43 ? -44.181 -7.260 50.440 1.00 57.19 ? 43 TYR A CZ 1 -ATOM 347 O OH . TYR A 1 43 ? -42.989 -7.938 50.292 1.00 58.20 ? 43 TYR A OH 1 -ATOM 348 N N . MET A 1 44 ? -48.078 -2.307 49.399 1.00 42.20 ? 44 MET A N 1 -ATOM 349 C CA . MET A 1 44 ? -47.656 -1.462 48.297 1.00 46.61 ? 44 MET A CA 1 -ATOM 350 C C . MET A 1 44 ? -46.944 -0.223 48.846 1.00 48.27 ? 44 MET A C 1 -ATOM 351 O O . MET A 1 44 ? -46.028 0.332 48.212 1.00 48.41 ? 44 MET A O 1 -ATOM 352 C CB . MET A 1 44 ? -48.839 -1.066 47.409 1.00 45.96 ? 44 MET A CB 1 -ATOM 353 C CG . MET A 1 44 ? -49.471 -2.219 46.651 1.00 49.56 ? 44 MET A CG 1 -ATOM 354 S SD . MET A 1 44 ? -48.309 -3.204 45.685 1.00 47.53 ? 44 MET A SD 1 -ATOM 355 C CE . MET A 1 44 ? -48.007 -4.545 46.831 1.00 43.53 ? 44 MET A CE 1 -ATOM 356 N N . PHE A 1 45 ? -47.368 0.202 50.035 1.00 47.78 ? 45 PHE A N 1 -ATOM 357 C CA . PHE A 1 45 ? -46.775 1.369 50.670 1.00 47.39 ? 45 PHE A CA 1 -ATOM 358 C C . PHE A 1 45 ? -45.296 1.098 51.046 1.00 46.57 ? 45 PHE A C 1 -ATOM 359 O O . PHE A 1 45 ? -44.406 1.877 50.691 1.00 43.85 ? 45 PHE A O 1 -ATOM 360 C CB . PHE A 1 45 ? -47.612 1.823 51.870 1.00 44.25 ? 45 PHE A CB 1 -ATOM 361 C CG . PHE A 1 45 ? -47.123 3.095 52.487 1.00 45.39 ? 45 PHE A CG 1 -ATOM 362 C CD1 . PHE A 1 45 ? -47.042 4.263 51.727 1.00 38.49 ? 45 PHE A CD1 1 -ATOM 363 C CD2 . PHE A 1 45 ? -46.730 3.129 53.824 1.00 43.93 ? 45 PHE A CD2 1 -ATOM 364 C CE1 . PHE A 1 45 ? -46.578 5.451 52.292 1.00 33.71 ? 45 PHE A CE1 1 -ATOM 365 C CE2 . PHE A 1 45 ? -46.268 4.321 54.403 1.00 40.83 ? 45 PHE A CE2 1 -ATOM 366 C CZ . PHE A 1 45 ? -46.189 5.475 53.637 1.00 34.00 ? 45 PHE A CZ 1 -ATOM 367 N N . LEU A 1 46 ? -45.049 -0.013 51.738 1.00 43.70 ? 46 LEU A N 1 -ATOM 368 C CA . LEU A 1 46 ? -43.694 -0.487 51.988 1.00 45.99 ? 46 LEU A CA 1 -ATOM 369 C C . LEU A 1 46 ? -42.838 -0.484 50.710 1.00 49.49 ? 46 LEU A C 1 -ATOM 370 O O . LEU A 1 46 ? -41.787 0.165 50.655 1.00 52.71 ? 46 LEU A O 1 -ATOM 371 C CB . LEU A 1 46 ? -43.732 -1.896 52.587 1.00 45.22 ? 46 LEU A CB 1 -ATOM 372 C CG . LEU A 1 46 ? -42.464 -2.434 53.252 1.00 45.56 ? 46 LEU A CG 1 -ATOM 373 C CD1 . LEU A 1 46 ? -42.057 -1.511 54.373 1.00 54.53 ? 46 LEU A CD1 1 -ATOM 374 C CD2 . LEU A 1 46 ? -42.660 -3.853 53.797 1.00 41.41 ? 46 LEU A CD2 1 -ATOM 375 N N . LEU A 1 47 ? -43.290 -1.201 49.683 1.00 49.12 ? 47 LEU A N 1 -ATOM 376 C CA . LEU A 1 47 ? -42.526 -1.327 48.448 1.00 46.96 ? 47 LEU A CA 1 -ATOM 377 C C . LEU A 1 47 ? -42.212 0.017 47.806 1.00 44.15 ? 47 LEU A C 1 -ATOM 378 O O . LEU A 1 47 ? -41.201 0.145 47.140 1.00 44.97 ? 47 LEU A O 1 -ATOM 379 C CB . LEU A 1 47 ? -43.232 -2.249 47.439 1.00 48.97 ? 47 LEU A CB 1 -ATOM 380 C CG . LEU A 1 47 ? -43.482 -3.712 47.835 1.00 47.60 ? 47 LEU A CG 1 -ATOM 381 C CD1 . LEU A 1 47 ? -44.170 -4.414 46.700 1.00 51.99 ? 47 LEU A CD1 1 -ATOM 382 C CD2 . LEU A 1 47 ? -42.222 -4.468 48.229 1.00 42.06 ? 47 LEU A CD2 1 -ATOM 383 N N . ILE A 1 48 ? -43.070 1.012 47.993 1.00 42.89 ? 48 ILE A N 1 -ATOM 384 C CA . ILE A 1 48 ? -42.774 2.366 47.500 1.00 44.51 ? 48 ILE A CA 1 -ATOM 385 C C . ILE A 1 48 ? -41.728 3.077 48.395 1.00 46.54 ? 48 ILE A C 1 -ATOM 386 O O . ILE A 1 48 ? -40.677 3.536 47.923 1.00 46.40 ? 48 ILE A O 1 -ATOM 387 C CB . ILE A 1 48 ? -44.072 3.223 47.372 1.00 45.58 ? 48 ILE A CB 1 -ATOM 388 C CG1 . ILE A 1 48 ? -45.125 2.474 46.532 1.00 46.14 ? 48 ILE A CG1 1 -ATOM 389 C CG2 . ILE A 1 48 ? -43.760 4.614 46.789 1.00 39.54 ? 48 ILE A CG2 1 -ATOM 390 C CD1 . ILE A 1 48 ? -46.551 3.050 46.574 1.00 38.31 ? 48 ILE A CD1 1 -ATOM 391 N N . MET A 1 49 ? -42.020 3.141 49.694 1.00 48.00 ? 49 MET A N 1 -ATOM 392 C CA . MET A 1 49 ? -41.156 3.795 50.665 1.00 45.98 ? 49 MET A CA 1 -ATOM 393 C C . MET A 1 49 ? -39.723 3.254 50.637 1.00 48.24 ? 49 MET A C 1 -ATOM 394 O O . MET A 1 49 ? -38.776 4.019 50.836 1.00 48.29 ? 49 MET A O 1 -ATOM 395 C CB . MET A 1 49 ? -41.752 3.679 52.066 1.00 46.23 ? 49 MET A CB 1 -ATOM 396 C CG . MET A 1 49 ? -43.007 4.502 52.268 1.00 47.07 ? 49 MET A CG 1 -ATOM 397 S SD . MET A 1 49 ? -42.751 6.260 51.961 1.00 52.38 ? 49 MET A SD 1 -ATOM 398 C CE . MET A 1 49 ? -43.396 6.483 50.309 1.00 55.14 ? 49 MET A CE 1 -ATOM 399 N N . LEU A 1 50 ? -39.569 1.947 50.405 1.00 46.17 ? 50 LEU A N 1 -ATOM 400 C CA . LEU A 1 50 ? -38.244 1.354 50.206 1.00 44.64 ? 50 LEU A CA 1 -ATOM 401 C C . LEU A 1 50 ? -37.826 1.404 48.732 1.00 44.92 ? 50 LEU A C 1 -ATOM 402 O O . LEU A 1 50 ? -36.740 1.863 48.414 1.00 46.23 ? 50 LEU A O 1 -ATOM 403 C CB . LEU A 1 50 ? -38.180 -0.082 50.717 1.00 40.29 ? 50 LEU A CB 1 -ATOM 404 C CG . LEU A 1 50 ? -38.523 -0.332 52.188 1.00 48.94 ? 50 LEU A CG 1 -ATOM 405 C CD1 . LEU A 1 50 ? -38.308 -1.803 52.572 1.00 38.80 ? 50 LEU A CD1 1 -ATOM 406 C CD2 . LEU A 1 50 ? -37.740 0.580 53.124 1.00 52.83 ? 50 LEU A CD2 1 -ATOM 407 N N . GLY A 1 51 ? -38.703 0.951 47.842 1.00 44.44 ? 51 GLY A N 1 -ATOM 408 C CA . GLY A 1 51 ? -38.396 0.816 46.419 1.00 41.10 ? 51 GLY A CA 1 -ATOM 409 C C . GLY A 1 51 ? -37.977 2.070 45.674 1.00 41.61 ? 51 GLY A C 1 -ATOM 410 O O . GLY A 1 51 ? -37.032 2.038 44.894 1.00 42.90 ? 51 GLY A O 1 -ATOM 411 N N . PHE A 1 52 ? -38.670 3.179 45.900 1.00 42.52 ? 52 PHE A N 1 -ATOM 412 C CA . PHE A 1 52 ? -38.352 4.414 45.185 1.00 44.25 ? 52 PHE A CA 1 -ATOM 413 C C . PHE A 1 52 ? -36.993 4.992 45.596 1.00 48.05 ? 52 PHE A C 1 -ATOM 414 O O . PHE A 1 52 ? -36.178 5.323 44.737 1.00 48.80 ? 52 PHE A O 1 -ATOM 415 C CB . PHE A 1 52 ? -39.453 5.463 45.363 1.00 41.03 ? 52 PHE A CB 1 -ATOM 416 C CG . PHE A 1 52 ? -39.081 6.821 44.837 1.00 42.59 ? 52 PHE A CG 1 -ATOM 417 C CD1 . PHE A 1 52 ? -39.207 7.118 43.482 1.00 44.79 ? 52 PHE A CD1 1 -ATOM 418 C CD2 . PHE A 1 52 ? -38.602 7.809 45.695 1.00 50.01 ? 52 PHE A CD2 1 -ATOM 419 C CE1 . PHE A 1 52 ? -38.861 8.381 42.985 1.00 45.56 ? 52 PHE A CE1 1 -ATOM 420 C CE2 . PHE A 1 52 ? -38.258 9.086 45.211 1.00 50.10 ? 52 PHE A CE2 1 -ATOM 421 C CZ . PHE A 1 52 ? -38.388 9.369 43.853 1.00 48.82 ? 52 PHE A CZ 1 -ATOM 422 N N . PRO A 1 53 ? -36.742 5.127 46.915 1.00 50.07 ? 53 PRO A N 1 -ATOM 423 C CA . PRO A 1 53 ? -35.434 5.671 47.302 1.00 49.29 ? 53 PRO A CA 1 -ATOM 424 C C . PRO A 1 53 ? -34.246 4.829 46.784 1.00 49.94 ? 53 PRO A C 1 -ATOM 425 O O . PRO A 1 53 ? -33.342 5.373 46.143 1.00 51.59 ? 53 PRO A O 1 -ATOM 426 C CB . PRO A 1 53 ? -35.501 5.702 48.837 1.00 48.78 ? 53 PRO A CB 1 -ATOM 427 C CG . PRO A 1 53 ? -36.968 5.739 49.143 1.00 51.39 ? 53 PRO A CG 1 -ATOM 428 C CD . PRO A 1 53 ? -37.619 4.901 48.080 1.00 46.53 ? 53 PRO A CD 1 -ATOM 429 N N . ILE A 1 54 ? -34.260 3.523 47.037 1.00 48.85 ? 54 ILE A N 1 -ATOM 430 C CA . ILE A 1 54 ? -33.212 2.630 46.547 1.00 51.13 ? 54 ILE A CA 1 -ATOM 431 C C . ILE A 1 54 ? -32.953 2.764 45.046 1.00 50.72 ? 54 ILE A C 1 -ATOM 432 O O . ILE A 1 54 ? -31.810 2.824 44.609 1.00 53.17 ? 54 ILE A O 1 -ATOM 433 C CB . ILE A 1 54 ? -33.551 1.166 46.809 1.00 50.77 ? 54 ILE A CB 1 -ATOM 434 C CG1 . ILE A 1 54 ? -34.032 0.961 48.253 1.00 62.47 ? 54 ILE A CG1 1 -ATOM 435 C CG2 . ILE A 1 54 ? -32.362 0.296 46.513 1.00 51.10 ? 54 ILE A CG2 1 -ATOM 436 C CD1 . ILE A 1 54 ? -32.943 0.944 49.309 1.00 75.40 ? 54 ILE A CD1 1 -ATOM 437 N N . ASN A 1 55 ? -34.002 2.794 44.246 1.00 50.11 ? 55 ASN A N 1 -ATOM 438 C CA . ASN A 1 55 ? -33.800 2.796 42.806 1.00 49.97 ? 55 ASN A CA 1 -ATOM 439 C C . ASN A 1 55 ? -33.518 4.170 42.239 1.00 51.10 ? 55 ASN A C 1 -ATOM 440 O O . ASN A 1 55 ? -32.766 4.300 41.282 1.00 54.84 ? 55 ASN A O 1 -ATOM 441 C CB . ASN A 1 55 ? -34.970 2.124 42.084 1.00 48.04 ? 55 ASN A CB 1 -ATOM 442 C CG . ASN A 1 55 ? -35.014 0.634 42.340 1.00 51.66 ? 55 ASN A CG 1 -ATOM 443 O OD1 . ASN A 1 55 ? -35.784 0.155 43.181 1.00 47.68 ? 55 ASN A OD1 1 -ATOM 444 N ND2 . ASN A 1 55 ? -34.155 -0.111 41.642 1.00 49.32 ? 55 ASN A ND2 1 -ATOM 445 N N . PHE A 1 56 ? -34.122 5.196 42.822 1.00 52.44 ? 56 PHE A N 1 -ATOM 446 C CA . PHE A 1 56 ? -33.859 6.561 42.385 1.00 54.72 ? 56 PHE A CA 1 -ATOM 447 C C . PHE A 1 56 ? -32.416 6.960 42.720 1.00 55.20 ? 56 PHE A C 1 -ATOM 448 O O . PHE A 1 56 ? -31.699 7.488 41.868 1.00 55.01 ? 56 PHE A O 1 -ATOM 449 C CB . PHE A 1 56 ? -34.851 7.544 43.016 1.00 56.01 ? 56 PHE A CB 1 -ATOM 450 C CG . PHE A 1 56 ? -34.633 8.968 42.598 1.00 55.50 ? 56 PHE A CG 1 -ATOM 451 C CD1 . PHE A 1 56 ? -34.987 9.391 41.314 1.00 56.34 ? 56 PHE A CD1 1 -ATOM 452 C CD2 . PHE A 1 56 ? -34.063 9.878 43.474 1.00 51.88 ? 56 PHE A CD2 1 -ATOM 453 C CE1 . PHE A 1 56 ? -34.784 10.698 40.910 1.00 50.71 ? 56 PHE A CE1 1 -ATOM 454 C CE2 . PHE A 1 56 ? -33.856 11.187 43.082 1.00 58.81 ? 56 PHE A CE2 1 -ATOM 455 C CZ . PHE A 1 56 ? -34.220 11.600 41.792 1.00 55.85 ? 56 PHE A CZ 1 -ATOM 456 N N . LEU A 1 57 ? -32.000 6.691 43.958 1.00 53.74 ? 57 LEU A N 1 -ATOM 457 C CA . LEU A 1 57 ? -30.626 6.924 44.380 1.00 54.52 ? 57 LEU A CA 1 -ATOM 458 C C . LEU A 1 57 ? -29.616 6.305 43.404 1.00 55.19 ? 57 LEU A C 1 -ATOM 459 O O . LEU A 1 57 ? -28.589 6.901 43.096 1.00 59.17 ? 57 LEU A O 1 -ATOM 460 C CB . LEU A 1 57 ? -30.409 6.377 45.795 1.00 55.31 ? 57 LEU A CB 1 -ATOM 461 C CG . LEU A 1 57 ? -29.133 6.821 46.529 1.00 60.42 ? 57 LEU A CG 1 -ATOM 462 C CD1 . LEU A 1 57 ? -29.142 8.327 46.782 1.00 54.93 ? 57 LEU A CD1 1 -ATOM 463 C CD2 . LEU A 1 57 ? -28.927 6.047 47.838 1.00 54.62 ? 57 LEU A CD2 1 -ATOM 464 N N . THR A 1 58 ? -29.919 5.114 42.905 1.00 53.11 ? 58 THR A N 1 -ATOM 465 C CA . THR A 1 58 ? -29.041 4.440 41.971 1.00 50.26 ? 58 THR A CA 1 -ATOM 466 C C . THR A 1 58 ? -28.819 5.270 40.717 1.00 54.10 ? 58 THR A C 1 -ATOM 467 O O . THR A 1 58 ? -27.702 5.348 40.212 1.00 59.80 ? 58 THR A O 1 -ATOM 468 C CB . THR A 1 58 ? -29.582 3.059 41.605 1.00 48.60 ? 58 THR A CB 1 -ATOM 469 O OG1 . THR A 1 58 ? -29.629 2.250 42.787 1.00 45.35 ? 58 THR A OG1 1 -ATOM 470 C CG2 . THR A 1 58 ? -28.690 2.386 40.571 1.00 45.49 ? 58 THR A CG2 1 -ATOM 471 N N . LEU A 1 59 ? -29.875 5.894 40.213 1.00 55.25 ? 59 LEU A N 1 -ATOM 472 C CA . LEU A 1 59 ? -29.743 6.764 39.052 1.00 54.51 ? 59 LEU A CA 1 -ATOM 473 C C . LEU A 1 59 ? -29.026 8.040 39.448 1.00 54.90 ? 59 LEU A C 1 -ATOM 474 O O . LEU A 1 59 ? -28.187 8.548 38.709 1.00 53.79 ? 59 LEU A O 1 -ATOM 475 C CB . LEU A 1 59 ? -31.113 7.131 38.496 1.00 53.93 ? 59 LEU A CB 1 -ATOM 476 C CG . LEU A 1 59 ? -32.030 5.999 38.059 1.00 55.98 ? 59 LEU A CG 1 -ATOM 477 C CD1 . LEU A 1 59 ? -33.218 6.611 37.327 1.00 54.42 ? 59 LEU A CD1 1 -ATOM 478 C CD2 . LEU A 1 59 ? -31.282 4.993 37.180 1.00 55.95 ? 59 LEU A CD2 1 -ATOM 479 N N . TYR A 1 60 ? -29.362 8.542 40.631 1.00 54.61 ? 60 TYR A N 1 -ATOM 480 C CA . TYR A 1 60 ? -28.896 9.844 41.086 1.00 56.86 ? 60 TYR A CA 1 -ATOM 481 C C . TYR A 1 60 ? -27.391 9.846 41.315 1.00 57.63 ? 60 TYR A C 1 -ATOM 482 O O . TYR A 1 60 ? -26.645 10.691 40.801 1.00 58.68 ? 60 TYR A O 1 -ATOM 483 C CB . TYR A 1 60 ? -29.617 10.226 42.378 1.00 56.53 ? 60 TYR A CB 1 -ATOM 484 C CG . TYR A 1 60 ? -29.275 11.607 42.858 1.00 61.79 ? 60 TYR A CG 1 -ATOM 485 C CD1 . TYR A 1 60 ? -29.832 12.729 42.253 1.00 65.46 ? 60 TYR A CD1 1 -ATOM 486 C CD2 . TYR A 1 60 ? -28.383 11.795 43.911 1.00 65.16 ? 60 TYR A CD2 1 -ATOM 487 C CE1 . TYR A 1 60 ? -29.518 13.999 42.691 1.00 71.08 ? 60 TYR A CE1 1 -ATOM 488 C CE2 . TYR A 1 60 ? -28.064 13.061 44.355 1.00 65.40 ? 60 TYR A CE2 1 -ATOM 489 C CZ . TYR A 1 60 ? -28.634 14.156 43.740 1.00 68.72 ? 60 TYR A CZ 1 -ATOM 490 O OH . TYR A 1 60 ? -28.313 15.413 44.171 1.00 75.62 ? 60 TYR A OH 1 -ATOM 491 N N . VAL A 1 61 ? -26.956 8.879 42.099 1.00 56.29 ? 61 VAL A N 1 -ATOM 492 C CA . VAL A 1 61 ? -25.566 8.715 42.400 1.00 54.68 ? 61 VAL A CA 1 -ATOM 493 C C . VAL A 1 61 ? -24.772 8.516 41.089 1.00 54.23 ? 61 VAL A C 1 -ATOM 494 O O . VAL A 1 61 ? -23.629 8.928 40.976 1.00 55.14 ? 61 VAL A O 1 -ATOM 495 C CB . VAL A 1 61 ? -25.414 7.549 43.380 1.00 53.22 ? 61 VAL A CB 1 -ATOM 496 C CG1 . VAL A 1 61 ? -25.202 6.236 42.633 1.00 56.73 ? 61 VAL A CG1 1 -ATOM 497 C CG2 . VAL A 1 61 ? -24.311 7.813 44.352 1.00 58.04 ? 61 VAL A CG2 1 -ATOM 498 N N . THR A 1 62 ? -25.391 7.919 40.082 1.00 55.15 ? 62 THR A N 1 -ATOM 499 C CA . THR A 1 62 ? -24.705 7.705 38.814 1.00 56.18 ? 62 THR A CA 1 -ATOM 500 C C . THR A 1 62 ? -24.500 9.023 38.060 1.00 57.59 ? 62 THR A C 1 -ATOM 501 O O . THR A 1 62 ? -23.495 9.217 37.372 1.00 58.94 ? 62 THR A O 1 -ATOM 502 C CB . THR A 1 62 ? -25.447 6.663 37.944 1.00 56.28 ? 62 THR A CB 1 -ATOM 503 O OG1 . THR A 1 62 ? -25.272 5.366 38.526 1.00 59.27 ? 62 THR A OG1 1 -ATOM 504 C CG2 . THR A 1 62 ? -24.915 6.639 36.511 1.00 48.65 ? 62 THR A CG2 1 -ATOM 505 N N . VAL A 1 63 ? -25.448 9.936 38.204 1.00 57.34 ? 63 VAL A N 1 -ATOM 506 C CA . VAL A 1 63 ? -25.335 11.235 37.563 1.00 57.10 ? 63 VAL A CA 1 -ATOM 507 C C . VAL A 1 63 ? -24.196 12.068 38.174 1.00 58.28 ? 63 VAL A C 1 -ATOM 508 O O . VAL A 1 63 ? -23.658 12.963 37.518 1.00 58.61 ? 63 VAL A O 1 -ATOM 509 C CB . VAL A 1 63 ? -26.693 12.014 37.613 1.00 57.49 ? 63 VAL A CB 1 -ATOM 510 C CG1 . VAL A 1 63 ? -26.493 13.523 37.491 1.00 53.63 ? 63 VAL A CG1 1 -ATOM 511 C CG2 . VAL A 1 63 ? -27.629 11.521 36.530 1.00 56.98 ? 63 VAL A CG2 1 -ATOM 512 N N A GLN A 1 64 ? -23.807 11.753 39.406 0.50 57.97 ? 64 GLN A N 1 -ATOM 513 N N B GLN A 1 64 ? -23.839 11.780 39.426 0.50 57.80 ? 64 GLN A N 1 -ATOM 514 C CA A GLN A 1 64 ? -22.854 12.601 40.108 0.50 57.80 ? 64 GLN A CA 1 -ATOM 515 C CA B GLN A 1 64 ? -22.868 12.615 40.135 0.50 57.42 ? 64 GLN A CA 1 -ATOM 516 C C A GLN A 1 64 ? -21.519 11.949 40.469 0.50 57.89 ? 64 GLN A C 1 -ATOM 517 C C B GLN A 1 64 ? -21.518 11.955 40.461 0.50 57.70 ? 64 GLN A C 1 -ATOM 518 O O A GLN A 1 64 ? -20.652 12.589 41.064 0.50 57.91 ? 64 GLN A O 1 -ATOM 519 O O B GLN A 1 64 ? -20.638 12.599 41.031 0.50 57.71 ? 64 GLN A O 1 -ATOM 520 C CB A GLN A 1 64 ? -23.526 13.234 41.321 0.50 57.66 ? 64 GLN A CB 1 -ATOM 521 C CB B GLN A 1 64 ? -23.496 13.253 41.384 0.50 57.28 ? 64 GLN A CB 1 -ATOM 522 C CG A GLN A 1 64 ? -24.786 13.972 40.925 0.50 58.14 ? 64 GLN A CG 1 -ATOM 523 C CG B GLN A 1 64 ? -23.546 12.372 42.615 0.50 56.09 ? 64 GLN A CG 1 -ATOM 524 C CD A GLN A 1 64 ? -25.124 15.087 41.866 0.50 58.74 ? 64 GLN A CD 1 -ATOM 525 C CD B GLN A 1 64 ? -23.843 13.167 43.879 0.50 61.04 ? 64 GLN A CD 1 -ATOM 526 O OE1 A GLN A 1 64 ? -24.622 15.138 42.986 0.50 65.00 ? 64 GLN A OE1 1 -ATOM 527 O OE1 B GLN A 1 64 ? -24.599 14.137 43.853 0.50 63.83 ? 64 GLN A OE1 1 -ATOM 528 N NE2 A GLN A 1 64 ? -25.984 15.994 41.422 0.50 58.94 ? 64 GLN A NE2 1 -ATOM 529 N NE2 B GLN A 1 64 ? -23.244 12.761 44.990 0.50 63.78 ? 64 GLN A NE2 1 -ATOM 530 N N . HIS A 1 65 ? -21.354 10.686 40.091 1.00 57.56 ? 65 HIS A N 1 -ATOM 531 C CA . HIS A 1 65 ? -20.072 9.997 40.251 1.00 57.06 ? 65 HIS A CA 1 -ATOM 532 C C . HIS A 1 65 ? -19.564 9.470 38.915 1.00 59.11 ? 65 HIS A C 1 -ATOM 533 O O . HIS A 1 65 ? -20.014 8.429 38.450 1.00 59.69 ? 65 HIS A O 1 -ATOM 534 C CB . HIS A 1 65 ? -20.179 8.856 41.262 1.00 53.43 ? 65 HIS A CB 1 -ATOM 535 C CG . HIS A 1 65 ? -20.478 9.312 42.658 1.00 56.78 ? 65 HIS A CG 1 -ATOM 536 N ND1 . HIS A 1 65 ? -19.508 9.419 43.632 1.00 61.09 ? 65 HIS A ND1 1 -ATOM 537 C CD2 . HIS A 1 65 ? -21.639 9.692 43.243 1.00 54.45 ? 65 HIS A CD2 1 -ATOM 538 C CE1 . HIS A 1 65 ? -20.060 9.837 44.758 1.00 64.29 ? 65 HIS A CE1 1 -ATOM 539 N NE2 . HIS A 1 65 ? -21.353 10.010 44.549 1.00 60.24 ? 65 HIS A NE2 1 -ATOM 540 N N . LYS A 1 66 ? -18.629 10.197 38.300 1.00 63.08 ? 66 LYS A N 1 -ATOM 541 C CA . LYS A 1 66 ? -17.994 9.772 37.041 1.00 65.92 ? 66 LYS A CA 1 -ATOM 542 C C . LYS A 1 66 ? -17.754 8.268 36.977 1.00 64.22 ? 66 LYS A C 1 -ATOM 543 O O . LYS A 1 66 ? -18.164 7.611 36.021 1.00 66.09 ? 66 LYS A O 1 -ATOM 544 C CB . LYS A 1 66 ? -16.628 10.437 36.866 1.00 68.96 ? 66 LYS A CB 1 -ATOM 545 C CG . LYS A 1 66 ? -16.606 11.859 36.359 1.00 81.94 ? 66 LYS A CG 1 -ATOM 546 C CD . LYS A 1 66 ? -15.157 12.393 36.420 1.00 98.42 ? 66 LYS A CD 1 -ATOM 547 C CE . LYS A 1 66 ? -15.028 13.848 35.953 1.00 103.14 ? 66 LYS A CE 1 -ATOM 548 N NZ . LYS A 1 66 ? -13.617 14.326 36.042 1.00 101.38 ? 66 LYS A NZ 1 -ATOM 549 N N . LYS A 1 67 ? -17.060 7.743 37.989 1.00 62.05 ? 67 LYS A N 1 -ATOM 550 C CA . LYS A 1 67 ? -16.556 6.363 37.985 1.00 62.42 ? 67 LYS A CA 1 -ATOM 551 C C . LYS A 1 67 ? -17.630 5.288 37.823 1.00 60.25 ? 67 LYS A C 1 -ATOM 552 O O . LYS A 1 67 ? -17.319 4.154 37.459 1.00 60.36 ? 67 LYS A O 1 -ATOM 553 C CB . LYS A 1 67 ? -15.728 6.072 39.245 1.00 63.51 ? 67 LYS A CB 1 -ATOM 554 C CG . LYS A 1 67 ? -14.362 6.729 39.280 1.00 69.30 ? 67 LYS A CG 1 -ATOM 555 C CD . LYS A 1 67 ? -13.605 6.563 37.968 1.00 81.28 ? 67 LYS A CD 1 -ATOM 556 C CE . LYS A 1 67 ? -12.224 7.212 38.046 1.00 88.05 ? 67 LYS A CE 1 -ATOM 557 N NZ . LYS A 1 67 ? -11.821 7.834 36.749 1.00 91.15 ? 67 LYS A NZ 1 -ATOM 558 N N . LEU A 1 68 ? -18.882 5.640 38.099 1.00 57.35 ? 68 LEU A N 1 -ATOM 559 C CA . LEU A 1 68 ? -19.989 4.710 37.930 1.00 54.77 ? 68 LEU A CA 1 -ATOM 560 C C . LEU A 1 68 ? -20.436 4.596 36.471 1.00 55.19 ? 68 LEU A C 1 -ATOM 561 O O . LEU A 1 68 ? -20.988 3.572 36.075 1.00 55.89 ? 68 LEU A O 1 -ATOM 562 C CB . LEU A 1 68 ? -21.168 5.114 38.809 1.00 53.15 ? 68 LEU A CB 1 -ATOM 563 C CG . LEU A 1 68 ? -20.921 5.091 40.319 1.00 52.77 ? 68 LEU A CG 1 -ATOM 564 C CD1 . LEU A 1 68 ? -22.103 5.683 41.089 1.00 53.79 ? 68 LEU A CD1 1 -ATOM 565 C CD2 . LEU A 1 68 ? -20.632 3.692 40.804 1.00 54.62 ? 68 LEU A CD2 1 -ATOM 566 N N . ARG A 1 69 ? -20.189 5.631 35.672 1.00 53.98 ? 69 ARG A N 1 -ATOM 567 C CA . ARG A 1 69 ? -20.676 5.665 34.291 1.00 53.53 ? 69 ARG A CA 1 -ATOM 568 C C . ARG A 1 69 ? -19.889 4.813 33.288 1.00 55.82 ? 69 ARG A C 1 -ATOM 569 O O . ARG A 1 69 ? -19.513 5.301 32.226 1.00 56.81 ? 69 ARG A O 1 -ATOM 570 C CB . ARG A 1 69 ? -20.754 7.096 33.784 1.00 52.19 ? 69 ARG A CB 1 -ATOM 571 C CG . ARG A 1 69 ? -21.792 7.935 34.474 1.00 52.72 ? 69 ARG A CG 1 -ATOM 572 C CD . ARG A 1 69 ? -21.856 9.322 33.866 1.00 58.14 ? 69 ARG A CD 1 -ATOM 573 N NE . ARG A 1 69 ? -22.032 10.307 34.919 1.00 67.73 ? 69 ARG A NE 1 -ATOM 574 C CZ . ARG A 1 69 ? -21.085 11.139 35.339 1.00 72.96 ? 69 ARG A CZ 1 -ATOM 575 N NH1 . ARG A 1 69 ? -21.351 11.985 36.322 1.00 78.16 ? 69 ARG A NH1 1 -ATOM 576 N NH2 . ARG A 1 69 ? -19.883 11.136 34.778 1.00 72.46 ? 69 ARG A NH2 1 -ATOM 577 N N . THR A 1 70 ? -19.671 3.543 33.615 1.00 57.30 ? 70 THR A N 1 -ATOM 578 C CA . THR A 1 70 ? -18.984 2.609 32.727 1.00 58.67 ? 70 THR A CA 1 -ATOM 579 C C . THR A 1 70 ? -19.981 1.679 32.010 1.00 60.62 ? 70 THR A C 1 -ATOM 580 O O . THR A 1 70 ? -21.057 1.394 32.545 1.00 60.88 ? 70 THR A O 1 -ATOM 581 C CB . THR A 1 70 ? -18.025 1.736 33.525 1.00 57.26 ? 70 THR A CB 1 -ATOM 582 O OG1 . THR A 1 70 ? -18.776 0.977 34.480 1.00 63.91 ? 70 THR A OG1 1 -ATOM 583 C CG2 . THR A 1 70 ? -17.034 2.589 34.263 1.00 58.38 ? 70 THR A CG2 1 -ATOM 584 N N . PRO A 1 71 ? -19.626 1.196 30.797 1.00 60.24 ? 71 PRO A N 1 -ATOM 585 C CA . PRO A 1 71 ? -20.509 0.306 30.034 1.00 58.31 ? 71 PRO A CA 1 -ATOM 586 C C . PRO A 1 71 ? -21.068 -0.882 30.826 1.00 57.05 ? 71 PRO A C 1 -ATOM 587 O O . PRO A 1 71 ? -22.245 -1.240 30.654 1.00 57.98 ? 71 PRO A O 1 -ATOM 588 C CB . PRO A 1 71 ? -19.604 -0.167 28.890 1.00 56.37 ? 71 PRO A CB 1 -ATOM 589 C CG . PRO A 1 71 ? -18.780 1.018 28.618 1.00 54.24 ? 71 PRO A CG 1 -ATOM 590 C CD . PRO A 1 71 ? -18.475 1.619 29.980 1.00 57.63 ? 71 PRO A CD 1 -ATOM 591 N N . LEU A 1 72 ? -20.239 -1.482 31.680 1.00 55.11 ? 72 LEU A N 1 -ATOM 592 C CA . LEU A 1 72 ? -20.657 -2.639 32.475 1.00 53.06 ? 72 LEU A CA 1 -ATOM 593 C C . LEU A 1 72 ? -21.664 -2.276 33.559 1.00 53.59 ? 72 LEU A C 1 -ATOM 594 O O . LEU A 1 72 ? -22.217 -3.154 34.213 1.00 56.58 ? 72 LEU A O 1 -ATOM 595 C CB . LEU A 1 72 ? -19.461 -3.339 33.109 1.00 51.07 ? 72 LEU A CB 1 -ATOM 596 C CG . LEU A 1 72 ? -18.499 -4.081 32.179 1.00 55.68 ? 72 LEU A CG 1 -ATOM 597 C CD1 . LEU A 1 72 ? -17.235 -4.519 32.934 1.00 47.08 ? 72 LEU A CD1 1 -ATOM 598 C CD2 . LEU A 1 72 ? -19.192 -5.274 31.505 1.00 54.79 ? 72 LEU A CD2 1 -ATOM 599 N N . ASN A 1 73 ? -21.905 -0.986 33.753 1.00 50.82 ? 73 ASN A N 1 -ATOM 600 C CA . ASN A 1 73 ? -22.896 -0.567 34.718 1.00 50.04 ? 73 ASN A CA 1 -ATOM 601 C C . ASN A 1 73 ? -24.249 -0.243 34.090 1.00 51.19 ? 73 ASN A C 1 -ATOM 602 O O . ASN A 1 73 ? -25.270 -0.227 34.787 1.00 55.26 ? 73 ASN A O 1 -ATOM 603 C CB . ASN A 1 73 ? -22.382 0.626 35.522 1.00 50.99 ? 73 ASN A CB 1 -ATOM 604 C CG . ASN A 1 73 ? -21.451 0.218 36.636 1.00 48.00 ? 73 ASN A CG 1 -ATOM 605 O OD1 . ASN A 1 73 ? -21.237 -0.964 36.878 1.00 49.94 ? 73 ASN A OD1 1 -ATOM 606 N ND2 . ASN A 1 73 ? -20.897 1.199 37.330 1.00 56.85 ? 73 ASN A ND2 1 -ATOM 607 N N . TYR A 1 74 ? -24.257 0.024 32.785 1.00 49.95 ? 74 TYR A N 1 -ATOM 608 C CA . TYR A 1 74 ? -25.491 0.342 32.053 1.00 51.77 ? 74 TYR A CA 1 -ATOM 609 C C . TYR A 1 74 ? -26.637 -0.607 32.427 1.00 50.46 ? 74 TYR A C 1 -ATOM 610 O O . TYR A 1 74 ? -27.750 -0.171 32.708 1.00 50.96 ? 74 TYR A O 1 -ATOM 611 C CB . TYR A 1 74 ? -25.263 0.253 30.537 1.00 53.41 ? 74 TYR A CB 1 -ATOM 612 C CG . TYR A 1 74 ? -24.475 1.382 29.894 1.00 59.02 ? 74 TYR A CG 1 -ATOM 613 C CD1 . TYR A 1 74 ? -23.722 2.277 30.655 1.00 59.62 ? 74 TYR A CD1 1 -ATOM 614 C CD2 . TYR A 1 74 ? -24.455 1.522 28.505 1.00 67.26 ? 74 TYR A CD2 1 -ATOM 615 C CE1 . TYR A 1 74 ? -22.994 3.294 30.051 1.00 61.72 ? 74 TYR A CE1 1 -ATOM 616 C CE2 . TYR A 1 74 ? -23.727 2.528 27.890 1.00 67.37 ? 74 TYR A CE2 1 -ATOM 617 C CZ . TYR A 1 74 ? -22.999 3.410 28.665 1.00 70.10 ? 74 TYR A CZ 1 -ATOM 618 O OH . TYR A 1 74 ? -22.280 4.405 28.043 1.00 70.58 ? 74 TYR A OH 1 -ATOM 619 N N . ILE A 1 75 ? -26.356 -1.907 32.422 1.00 49.55 ? 75 ILE A N 1 -ATOM 620 C CA . ILE A 1 75 ? -27.384 -2.905 32.666 1.00 48.99 ? 75 ILE A CA 1 -ATOM 621 C C . ILE A 1 75 ? -27.949 -2.775 34.077 1.00 49.91 ? 75 ILE A C 1 -ATOM 622 O O . ILE A 1 75 ? -29.138 -3.044 34.293 1.00 50.00 ? 75 ILE A O 1 -ATOM 623 C CB . ILE A 1 75 ? -26.873 -4.351 32.400 1.00 50.09 ? 75 ILE A CB 1 -ATOM 624 C CG1 . ILE A 1 75 ? -28.045 -5.308 32.120 1.00 52.54 ? 75 ILE A CG1 1 -ATOM 625 C CG2 . ILE A 1 75 ? -25.998 -4.851 33.553 1.00 48.36 ? 75 ILE A CG2 1 -ATOM 626 C CD1 . ILE A 1 75 ? -28.842 -4.975 30.860 1.00 48.46 ? 75 ILE A CD1 1 -ATOM 627 N N . LEU A 1 76 ? -27.104 -2.358 35.025 1.00 47.75 ? 76 LEU A N 1 -ATOM 628 C CA . LEU A 1 76 ? -27.545 -2.120 36.401 1.00 47.43 ? 76 LEU A CA 1 -ATOM 629 C C . LEU A 1 76 ? -28.422 -0.872 36.495 1.00 48.38 ? 76 LEU A C 1 -ATOM 630 O O . LEU A 1 76 ? -29.426 -0.860 37.207 1.00 47.64 ? 76 LEU A O 1 -ATOM 631 C CB . LEU A 1 76 ? -26.356 -1.999 37.346 1.00 44.70 ? 76 LEU A CB 1 -ATOM 632 C CG . LEU A 1 76 ? -25.514 -3.259 37.500 1.00 48.22 ? 76 LEU A CG 1 -ATOM 633 C CD1 . LEU A 1 76 ? -24.237 -2.924 38.229 1.00 46.68 ? 76 LEU A CD1 1 -ATOM 634 C CD2 . LEU A 1 76 ? -26.287 -4.364 38.219 1.00 45.74 ? 76 LEU A CD2 1 -ATOM 635 N N . LEU A 1 77 ? -28.048 0.180 35.775 1.00 48.58 ? 77 LEU A N 1 -ATOM 636 C CA . LEU A 1 77 ? -28.892 1.362 35.720 1.00 51.39 ? 77 LEU A CA 1 -ATOM 637 C C . LEU A 1 77 ? -30.225 0.952 35.144 1.00 51.20 ? 77 LEU A C 1 -ATOM 638 O O . LEU A 1 77 ? -31.287 1.385 35.603 1.00 52.95 ? 77 LEU A O 1 -ATOM 639 C CB . LEU A 1 77 ? -28.261 2.459 34.855 1.00 51.70 ? 77 LEU A CB 1 -ATOM 640 C CG . LEU A 1 77 ? -27.100 3.224 35.492 1.00 57.08 ? 77 LEU A CG 1 -ATOM 641 C CD1 . LEU A 1 77 ? -26.748 4.432 34.641 1.00 61.11 ? 77 LEU A CD1 1 -ATOM 642 C CD2 . LEU A 1 77 ? -27.435 3.654 36.916 1.00 55.50 ? 77 LEU A CD2 1 -ATOM 643 N N . ASN A 1 78 ? -30.151 0.102 34.128 1.00 50.47 ? 78 ASN A N 1 -ATOM 644 C CA . ASN A 1 78 ? -31.324 -0.406 33.457 1.00 47.97 ? 78 ASN A CA 1 -ATOM 645 C C . ASN A 1 78 ? -32.224 -1.117 34.457 1.00 46.49 ? 78 ASN A C 1 -ATOM 646 O O . ASN A 1 78 ? -33.419 -0.862 34.520 1.00 45.34 ? 78 ASN A O 1 -ATOM 647 C CB . ASN A 1 78 ? -30.900 -1.367 32.354 1.00 48.11 ? 78 ASN A CB 1 -ATOM 648 C CG . ASN A 1 78 ? -32.039 -1.740 31.453 1.00 46.03 ? 78 ASN A CG 1 -ATOM 649 O OD1 . ASN A 1 78 ? -32.693 -0.869 30.893 1.00 39.40 ? 78 ASN A OD1 1 -ATOM 650 N ND2 . ASN A 1 78 ? -32.295 -3.039 31.312 1.00 43.69 ? 78 ASN A ND2 1 -ATOM 651 N N . LEU A 1 79 ? -31.628 -2.001 35.247 1.00 44.55 ? 79 LEU A N 1 -ATOM 652 C CA . LEU A 1 79 ? -32.332 -2.653 36.330 1.00 44.58 ? 79 LEU A CA 1 -ATOM 653 C C . LEU A 1 79 ? -33.080 -1.648 37.200 1.00 46.52 ? 79 LEU A C 1 -ATOM 654 O O . LEU A 1 79 ? -34.241 -1.856 37.550 1.00 49.24 ? 79 LEU A O 1 -ATOM 655 C CB . LEU A 1 79 ? -31.351 -3.425 37.193 1.00 45.28 ? 79 LEU A CB 1 -ATOM 656 C CG . LEU A 1 79 ? -32.019 -4.056 38.400 1.00 41.52 ? 79 LEU A CG 1 -ATOM 657 C CD1 . LEU A 1 79 ? -32.976 -5.100 37.881 1.00 40.59 ? 79 LEU A CD1 1 -ATOM 658 C CD2 . LEU A 1 79 ? -30.982 -4.649 39.349 1.00 34.38 ? 79 LEU A CD2 1 -ATOM 659 N N . ALA A 1 80 ? -32.418 -0.552 37.546 1.00 45.75 ? 80 ALA A N 1 -ATOM 660 C CA . ALA A 1 80 ? -33.045 0.447 38.398 1.00 47.06 ? 80 ALA A CA 1 -ATOM 661 C C . ALA A 1 80 ? -34.255 1.115 37.736 1.00 47.81 ? 80 ALA A C 1 -ATOM 662 O O . ALA A 1 80 ? -35.250 1.381 38.410 1.00 51.30 ? 80 ALA A O 1 -ATOM 663 C CB . ALA A 1 80 ? -32.020 1.490 38.870 1.00 47.31 ? 80 ALA A CB 1 -ATOM 664 N N . VAL A 1 81 ? -34.164 1.393 36.434 1.00 47.58 ? 81 VAL A N 1 -ATOM 665 C CA . VAL A 1 81 ? -35.283 1.972 35.674 1.00 47.41 ? 81 VAL A CA 1 -ATOM 666 C C . VAL A 1 81 ? -36.457 0.978 35.639 1.00 46.08 ? 81 VAL A C 1 -ATOM 667 O O . VAL A 1 81 ? -37.612 1.336 35.906 1.00 43.82 ? 81 VAL A O 1 -ATOM 668 C CB . VAL A 1 81 ? -34.866 2.369 34.215 1.00 48.87 ? 81 VAL A CB 1 -ATOM 669 C CG1 . VAL A 1 81 ? -36.088 2.667 33.359 1.00 48.28 ? 81 VAL A CG1 1 -ATOM 670 C CG2 . VAL A 1 81 ? -33.926 3.570 34.206 1.00 43.83 ? 81 VAL A CG2 1 -ATOM 671 N N . ALA A 1 82 ? -36.145 -0.276 35.333 1.00 44.52 ? 82 ALA A N 1 -ATOM 672 C CA . ALA A 1 82 ? -37.139 -1.339 35.366 1.00 46.62 ? 82 ALA A CA 1 -ATOM 673 C C . ALA A 1 82 ? -37.869 -1.319 36.704 1.00 47.66 ? 82 ALA A C 1 -ATOM 674 O O . ALA A 1 82 ? -39.099 -1.338 36.739 1.00 49.18 ? 82 ALA A O 1 -ATOM 675 C CB . ALA A 1 82 ? -36.491 -2.703 35.123 1.00 43.14 ? 82 ALA A CB 1 -ATOM 676 N N . ASP A 1 83 ? -37.113 -1.272 37.800 1.00 45.75 ? 83 ASP A N 1 -ATOM 677 C CA . ASP A 1 83 ? -37.716 -1.240 39.123 1.00 44.98 ? 83 ASP A CA 1 -ATOM 678 C C . ASP A 1 83 ? -38.666 -0.046 39.271 1.00 45.39 ? 83 ASP A C 1 -ATOM 679 O O . ASP A 1 83 ? -39.731 -0.158 39.885 1.00 45.15 ? 83 ASP A O 1 -ATOM 680 C CB . ASP A 1 83 ? -36.650 -1.210 40.218 1.00 44.60 ? 83 ASP A CB 1 -ATOM 681 C CG . ASP A 1 83 ? -35.887 -2.533 40.358 1.00 47.93 ? 83 ASP A CG 1 -ATOM 682 O OD1 . ASP A 1 83 ? -36.405 -3.605 39.984 1.00 43.87 ? 83 ASP A OD1 1 -ATOM 683 O OD2 . ASP A 1 83 ? -34.752 -2.500 40.875 1.00 55.21 ? 83 ASP A OD2 1 -ATOM 684 N N . LEU A 1 84 ? -38.303 1.097 38.701 1.00 44.43 ? 84 LEU A N 1 -ATOM 685 C CA . LEU A 1 84 ? -39.160 2.270 38.837 1.00 47.04 ? 84 LEU A CA 1 -ATOM 686 C C . LEU A 1 84 ? -40.447 2.138 38.016 1.00 49.60 ? 84 LEU A C 1 -ATOM 687 O O . LEU A 1 84 ? -41.511 2.574 38.454 1.00 50.67 ? 84 LEU A O 1 -ATOM 688 C CB . LEU A 1 84 ? -38.404 3.576 38.543 1.00 46.28 ? 84 LEU A CB 1 -ATOM 689 C CG . LEU A 1 84 ? -37.304 3.933 39.563 1.00 48.29 ? 84 LEU A CG 1 -ATOM 690 C CD1 . LEU A 1 84 ? -36.378 5.017 39.025 1.00 39.52 ? 84 LEU A CD1 1 -ATOM 691 C CD2 . LEU A 1 84 ? -37.869 4.324 40.944 1.00 47.18 ? 84 LEU A CD2 1 -ATOM 692 N N . PHE A 1 85 ? -40.360 1.521 36.839 1.00 50.45 ? 85 PHE A N 1 -ATOM 693 C CA . PHE A 1 85 ? -41.571 1.166 36.101 1.00 50.53 ? 85 PHE A CA 1 -ATOM 694 C C . PHE A 1 85 ? -42.525 0.362 36.988 1.00 48.78 ? 85 PHE A C 1 -ATOM 695 O O . PHE A 1 85 ? -43.705 0.662 37.060 1.00 49.22 ? 85 PHE A O 1 -ATOM 696 C CB . PHE A 1 85 ? -41.239 0.387 34.826 1.00 53.00 ? 85 PHE A CB 1 -ATOM 697 C CG . PHE A 1 85 ? -41.019 1.254 33.622 1.00 55.78 ? 85 PHE A CG 1 -ATOM 698 C CD1 . PHE A 1 85 ? -39.822 1.913 33.432 1.00 60.60 ? 85 PHE A CD1 1 -ATOM 699 C CD2 . PHE A 1 85 ? -42.010 1.399 32.671 1.00 69.22 ? 85 PHE A CD2 1 -ATOM 700 C CE1 . PHE A 1 85 ? -39.616 2.711 32.320 1.00 62.56 ? 85 PHE A CE1 1 -ATOM 701 C CE2 . PHE A 1 85 ? -41.808 2.192 31.551 1.00 71.79 ? 85 PHE A CE2 1 -ATOM 702 C CZ . PHE A 1 85 ? -40.607 2.849 31.381 1.00 65.69 ? 85 PHE A CZ 1 -ATOM 703 N N . MET A 1 86 ? -42.010 -0.648 37.678 1.00 47.99 ? 86 MET A N 1 -ATOM 704 C CA . MET A 1 86 ? -42.820 -1.389 38.631 1.00 49.91 ? 86 MET A CA 1 -ATOM 705 C C . MET A 1 86 ? -43.362 -0.496 39.753 1.00 52.74 ? 86 MET A C 1 -ATOM 706 O O . MET A 1 86 ? -44.445 -0.737 40.289 1.00 53.48 ? 86 MET A O 1 -ATOM 707 C CB . MET A 1 86 ? -42.028 -2.548 39.226 1.00 47.55 ? 86 MET A CB 1 -ATOM 708 C CG . MET A 1 86 ? -41.650 -3.602 38.213 1.00 47.93 ? 86 MET A CG 1 -ATOM 709 S SD . MET A 1 86 ? -40.694 -4.954 38.922 1.00 55.25 ? 86 MET A SD 1 -ATOM 710 C CE . MET A 1 86 ? -41.926 -5.714 39.973 1.00 56.93 ? 86 MET A CE 1 -ATOM 711 N N . VAL A 1 87 ? -42.609 0.536 40.106 1.00 54.14 ? 87 VAL A N 1 -ATOM 712 C CA . VAL A 1 87 ? -42.982 1.372 41.230 1.00 55.56 ? 87 VAL A CA 1 -ATOM 713 C C . VAL A 1 87 ? -44.156 2.287 40.880 1.00 56.78 ? 87 VAL A C 1 -ATOM 714 O O . VAL A 1 87 ? -45.120 2.387 41.646 1.00 59.07 ? 87 VAL A O 1 -ATOM 715 C CB . VAL A 1 87 ? -41.756 2.174 41.773 1.00 57.29 ? 87 VAL A CB 1 -ATOM 716 C CG1 . VAL A 1 87 ? -42.205 3.369 42.605 1.00 58.47 ? 87 VAL A CG1 1 -ATOM 717 C CG2 . VAL A 1 87 ? -40.824 1.264 42.592 1.00 52.03 ? 87 VAL A CG2 1 -ATOM 718 N N . PHE A 1 88 ? -44.081 2.938 39.721 1.00 56.88 ? 88 PHE A N 1 -ATOM 719 C CA . PHE A 1 88 ? -45.063 3.951 39.336 1.00 57.07 ? 88 PHE A CA 1 -ATOM 720 C C . PHE A 1 88 ? -46.188 3.400 38.472 1.00 59.03 ? 88 PHE A C 1 -ATOM 721 O O . PHE A 1 88 ? -47.291 3.933 38.473 1.00 63.65 ? 88 PHE A O 1 -ATOM 722 C CB . PHE A 1 88 ? -44.384 5.127 38.634 1.00 54.74 ? 88 PHE A CB 1 -ATOM 723 C CG . PHE A 1 88 ? -43.541 5.966 39.547 1.00 62.82 ? 88 PHE A CG 1 -ATOM 724 C CD1 . PHE A 1 88 ? -44.130 6.760 40.528 1.00 64.95 ? 88 PHE A CD1 1 -ATOM 725 C CD2 . PHE A 1 88 ? -42.151 5.963 39.436 1.00 68.20 ? 88 PHE A CD2 1 -ATOM 726 C CE1 . PHE A 1 88 ? -43.354 7.535 41.383 1.00 63.20 ? 88 PHE A CE1 1 -ATOM 727 C CE2 . PHE A 1 88 ? -41.364 6.740 40.288 1.00 63.17 ? 88 PHE A CE2 1 -ATOM 728 C CZ . PHE A 1 88 ? -41.969 7.527 41.260 1.00 64.24 ? 88 PHE A CZ 1 -ATOM 729 N N . GLY A 1 89 ? -45.911 2.343 37.722 1.00 59.66 ? 89 GLY A N 1 -ATOM 730 C CA . GLY A 1 89 ? -46.958 1.661 36.974 1.00 58.67 ? 89 GLY A CA 1 -ATOM 731 C C . GLY A 1 89 ? -47.752 0.710 37.858 1.00 59.68 ? 89 GLY A C 1 -ATOM 732 O O . GLY A 1 89 ? -48.983 0.692 37.813 1.00 60.82 ? 89 GLY A O 1 -ATOM 733 N N . GLY A 1 90 ? -47.051 -0.072 38.674 1.00 57.47 ? 90 GLY A N 1 -ATOM 734 C CA . GLY A 1 90 ? -47.689 -1.112 39.462 1.00 55.05 ? 90 GLY A CA 1 -ATOM 735 C C . GLY A 1 90 ? -48.051 -0.706 40.873 1.00 55.74 ? 90 GLY A C 1 -ATOM 736 O O . GLY A 1 90 ? -49.233 -0.649 41.222 1.00 58.85 ? 90 GLY A O 1 -ATOM 737 N N . PHE A 1 91 ? -47.030 -0.423 41.680 1.00 54.66 ? 91 PHE A N 1 -ATOM 738 C CA . PHE A 1 91 ? -47.187 -0.209 43.120 1.00 52.81 ? 91 PHE A CA 1 -ATOM 739 C C . PHE A 1 91 ? -48.119 0.955 43.496 1.00 53.27 ? 91 PHE A C 1 -ATOM 740 O O . PHE A 1 91 ? -48.975 0.798 44.367 1.00 51.34 ? 91 PHE A O 1 -ATOM 741 C CB . PHE A 1 91 ? -45.825 0.015 43.794 1.00 55.28 ? 91 PHE A CB 1 -ATOM 742 C CG . PHE A 1 91 ? -44.833 -1.105 43.606 1.00 56.51 ? 91 PHE A CG 1 -ATOM 743 C CD1 . PHE A 1 91 ? -45.194 -2.303 42.996 1.00 60.06 ? 91 PHE A CD1 1 -ATOM 744 C CD2 . PHE A 1 91 ? -43.532 -0.964 44.078 1.00 53.90 ? 91 PHE A CD2 1 -ATOM 745 C CE1 . PHE A 1 91 ? -44.270 -3.331 42.836 1.00 56.85 ? 91 PHE A CE1 1 -ATOM 746 C CE2 . PHE A 1 91 ? -42.604 -1.988 43.924 1.00 61.17 ? 91 PHE A CE2 1 -ATOM 747 C CZ . PHE A 1 91 ? -42.975 -3.175 43.304 1.00 61.40 ? 91 PHE A CZ 1 -ATOM 748 N N . THR A 1 92 ? -47.943 2.122 42.871 1.00 52.83 ? 92 THR A N 1 -ATOM 749 C CA . THR A 1 92 ? -48.756 3.298 43.226 1.00 55.65 ? 92 THR A CA 1 -ATOM 750 C C . THR A 1 92 ? -50.225 3.097 42.863 1.00 55.67 ? 92 THR A C 1 -ATOM 751 O O . THR A 1 92 ? -51.114 3.288 43.700 1.00 56.72 ? 92 THR A O 1 -ATOM 752 C CB . THR A 1 92 ? -48.245 4.624 42.588 1.00 55.58 ? 92 THR A CB 1 -ATOM 753 O OG1 . THR A 1 92 ? -48.082 4.457 41.176 1.00 55.95 ? 92 THR A OG1 1 -ATOM 754 C CG2 . THR A 1 92 ? -46.929 5.053 43.211 1.00 53.62 ? 92 THR A CG2 1 -ATOM 755 N N . THR A 1 93 ? -50.458 2.709 41.612 1.00 53.62 ? 93 THR A N 1 -ATOM 756 C CA . THR A 1 93 ? -51.774 2.330 41.126 1.00 50.55 ? 93 THR A CA 1 -ATOM 757 C C . THR A 1 93 ? -52.445 1.355 42.089 1.00 49.54 ? 93 THR A C 1 -ATOM 758 O O . THR A 1 93 ? -53.586 1.563 42.522 1.00 46.83 ? 93 THR A O 1 -ATOM 759 C CB . THR A 1 93 ? -51.659 1.665 39.745 1.00 51.31 ? 93 THR A CB 1 -ATOM 760 O OG1 . THR A 1 93 ? -50.863 2.487 38.883 1.00 45.21 ? 93 THR A OG1 1 -ATOM 761 C CG2 . THR A 1 93 ? -53.026 1.482 39.126 1.00 52.65 ? 93 THR A CG2 1 -ATOM 762 N N . THR A 1 94 ? -51.731 0.293 42.438 1.00 46.06 ? 94 THR A N 1 -ATOM 763 C CA . THR A 1 94 ? -52.304 -0.704 43.327 1.00 47.46 ? 94 THR A CA 1 -ATOM 764 C C . THR A 1 94 ? -52.603 -0.186 44.730 1.00 50.34 ? 94 THR A C 1 -ATOM 765 O O . THR A 1 94 ? -53.557 -0.636 45.362 1.00 55.04 ? 94 THR A O 1 -ATOM 766 C CB . THR A 1 94 ? -51.443 -1.973 43.414 1.00 48.70 ? 94 THR A CB 1 -ATOM 767 O OG1 . THR A 1 94 ? -51.271 -2.526 42.094 1.00 47.44 ? 94 THR A OG1 1 -ATOM 768 C CG2 . THR A 1 94 ? -52.106 -3.005 44.356 1.00 35.66 ? 94 THR A CG2 1 -ATOM 769 N N . LEU A 1 95 ? -51.801 0.758 45.218 1.00 51.81 ? 95 LEU A N 1 -ATOM 770 C CA . LEU A 1 95 ? -52.080 1.388 46.511 1.00 50.55 ? 95 LEU A CA 1 -ATOM 771 C C . LEU A 1 95 ? -53.413 2.117 46.427 1.00 50.09 ? 95 LEU A C 1 -ATOM 772 O O . LEU A 1 95 ? -54.268 2.012 47.312 1.00 48.96 ? 95 LEU A O 1 -ATOM 773 C CB . LEU A 1 95 ? -50.975 2.380 46.886 1.00 51.16 ? 95 LEU A CB 1 -ATOM 774 C CG . LEU A 1 95 ? -51.200 3.247 48.136 1.00 49.01 ? 95 LEU A CG 1 -ATOM 775 C CD1 . LEU A 1 95 ? -51.410 2.401 49.393 1.00 44.50 ? 95 LEU A CD1 1 -ATOM 776 C CD2 . LEU A 1 95 ? -50.039 4.186 48.318 1.00 41.16 ? 95 LEU A CD2 1 -ATOM 777 N N . TYR A 1 96 ? -53.573 2.850 45.335 1.00 48.69 ? 96 TYR A N 1 -ATOM 778 C CA . TYR A 1 96 ? -54.783 3.588 45.063 1.00 49.83 ? 96 TYR A CA 1 -ATOM 779 C C . TYR A 1 96 ? -56.020 2.682 44.963 1.00 52.58 ? 96 TYR A C 1 -ATOM 780 O O . TYR A 1 96 ? -57.008 2.875 45.689 1.00 53.89 ? 96 TYR A O 1 -ATOM 781 C CB . TYR A 1 96 ? -54.597 4.387 43.782 1.00 48.66 ? 96 TYR A CB 1 -ATOM 782 C CG . TYR A 1 96 ? -55.679 5.391 43.554 1.00 53.97 ? 96 TYR A CG 1 -ATOM 783 C CD1 . TYR A 1 96 ? -55.755 6.543 44.335 1.00 55.89 ? 96 TYR A CD1 1 -ATOM 784 C CD2 . TYR A 1 96 ? -56.638 5.192 42.565 1.00 58.57 ? 96 TYR A CD2 1 -ATOM 785 C CE1 . TYR A 1 96 ? -56.752 7.464 44.137 1.00 57.29 ? 96 TYR A CE1 1 -ATOM 786 C CE2 . TYR A 1 96 ? -57.635 6.118 42.351 1.00 61.94 ? 96 TYR A CE2 1 -ATOM 787 C CZ . TYR A 1 96 ? -57.687 7.250 43.143 1.00 60.64 ? 96 TYR A CZ 1 -ATOM 788 O OH . TYR A 1 96 ? -58.681 8.170 42.943 1.00 69.07 ? 96 TYR A OH 1 -ATOM 789 N N . THR A 1 97 ? -55.962 1.686 44.080 1.00 51.41 ? 97 THR A N 1 -ATOM 790 C CA . THR A 1 97 ? -57.097 0.781 43.890 1.00 48.49 ? 97 THR A CA 1 -ATOM 791 C C . THR A 1 97 ? -57.419 -0.049 45.135 1.00 45.87 ? 97 THR A C 1 -ATOM 792 O O . THR A 1 97 ? -58.576 -0.162 45.513 1.00 44.87 ? 97 THR A O 1 -ATOM 793 C CB . THR A 1 97 ? -56.915 -0.150 42.663 1.00 48.83 ? 97 THR A CB 1 -ATOM 794 O OG1 . THR A 1 97 ? -55.839 -1.065 42.902 1.00 52.88 ? 97 THR A OG1 1 -ATOM 795 C CG2 . THR A 1 97 ? -56.624 0.659 41.402 1.00 45.10 ? 97 THR A CG2 1 -ATOM 796 N N . SER A 1 98 ? -56.417 -0.633 45.780 1.00 45.31 ? 98 SER A N 1 -ATOM 797 C CA . SER A 1 98 ? -56.709 -1.470 46.956 1.00 49.86 ? 98 SER A CA 1 -ATOM 798 C C . SER A 1 98 ? -57.594 -0.760 47.991 1.00 48.99 ? 98 SER A C 1 -ATOM 799 O O . SER A 1 98 ? -58.414 -1.382 48.654 1.00 49.79 ? 98 SER A O 1 -ATOM 800 C CB . SER A 1 98 ? -55.429 -1.999 47.614 1.00 47.32 ? 98 SER A CB 1 -ATOM 801 O OG . SER A 1 98 ? -54.523 -0.943 47.865 1.00 56.90 ? 98 SER A OG 1 -ATOM 802 N N . LEU A 1 99 ? -57.418 0.549 48.106 1.00 50.96 ? 99 LEU A N 1 -ATOM 803 C CA . LEU A 1 99 ? -58.146 1.363 49.069 1.00 50.51 ? 99 LEU A CA 1 -ATOM 804 C C . LEU A 1 99 ? -59.579 1.675 48.621 1.00 51.28 ? 99 LEU A C 1 -ATOM 805 O O . LEU A 1 99 ? -60.418 2.074 49.426 1.00 48.88 ? 99 LEU A O 1 -ATOM 806 C CB . LEU A 1 99 ? -57.372 2.662 49.321 1.00 50.95 ? 99 LEU A CB 1 -ATOM 807 C CG . LEU A 1 99 ? -56.043 2.539 50.077 1.00 47.98 ? 99 LEU A CG 1 -ATOM 808 C CD1 . LEU A 1 99 ? -55.246 3.836 49.945 1.00 46.43 ? 99 LEU A CD1 1 -ATOM 809 C CD2 . LEU A 1 99 ? -56.264 2.154 51.554 1.00 26.61 ? 99 LEU A CD2 1 -ATOM 810 N N . HIS A 1 100 ? -59.834 1.522 47.324 1.00 53.81 ? 100 HIS A N 1 -ATOM 811 C CA . HIS A 1 100 ? -61.186 1.522 46.783 1.00 53.66 ? 100 HIS A CA 1 -ATOM 812 C C . HIS A 1 100 ? -61.802 0.118 46.874 1.00 54.18 ? 100 HIS A C 1 -ATOM 813 O O . HIS A 1 100 ? -63.024 -0.028 46.910 1.00 59.37 ? 100 HIS A O 1 -ATOM 814 C CB . HIS A 1 100 ? -61.188 1.980 45.327 1.00 52.88 ? 100 HIS A CB 1 -ATOM 815 C CG . HIS A 1 100 ? -60.941 3.449 45.141 1.00 58.84 ? 100 HIS A CG 1 -ATOM 816 N ND1 . HIS A 1 100 ? -59.676 3.992 45.079 1.00 64.86 ? 100 HIS A ND1 1 -ATOM 817 C CD2 . HIS A 1 100 ? -61.800 4.480 44.953 1.00 61.61 ? 100 HIS A CD2 1 -ATOM 818 C CE1 . HIS A 1 100 ? -59.767 5.296 44.879 1.00 65.55 ? 100 HIS A CE1 1 -ATOM 819 N NE2 . HIS A 1 100 ? -61.045 5.618 44.801 1.00 55.96 ? 100 HIS A NE2 1 -ATOM 820 N N . GLY A 1 101 ? -60.968 -0.917 46.913 1.00 50.76 ? 101 GLY A N 1 -ATOM 821 C CA . GLY A 1 101 ? -61.478 -2.283 46.994 1.00 48.67 ? 101 GLY A CA 1 -ATOM 822 C C . GLY A 1 101 ? -61.722 -2.913 45.634 1.00 50.42 ? 101 GLY A C 1 -ATOM 823 O O . GLY A 1 101 ? -62.286 -3.999 45.535 1.00 51.17 ? 101 GLY A O 1 -ATOM 824 N N . TYR A 1 102 ? -61.298 -2.230 44.575 1.00 50.27 ? 102 TYR A N 1 -ATOM 825 C CA . TYR A 1 102 ? -61.377 -2.781 43.230 1.00 48.21 ? 102 TYR A CA 1 -ATOM 826 C C . TYR A 1 102 ? -60.646 -1.913 42.227 1.00 48.32 ? 102 TYR A C 1 -ATOM 827 O O . TYR A 1 102 ? -60.200 -0.811 42.540 1.00 48.47 ? 102 TYR A O 1 -ATOM 828 C CB . TYR A 1 102 ? -62.826 -2.956 42.794 1.00 48.95 ? 102 TYR A CB 1 -ATOM 829 C CG . TYR A 1 102 ? -63.555 -1.654 42.589 1.00 51.71 ? 102 TYR A CG 1 -ATOM 830 C CD1 . TYR A 1 102 ? -63.806 -1.168 41.302 1.00 47.99 ? 102 TYR A CD1 1 -ATOM 831 C CD2 . TYR A 1 102 ? -63.994 -0.897 43.684 1.00 48.88 ? 102 TYR A CD2 1 -ATOM 832 C CE1 . TYR A 1 102 ? -64.481 0.045 41.109 1.00 41.15 ? 102 TYR A CE1 1 -ATOM 833 C CE2 . TYR A 1 102 ? -64.673 0.303 43.503 1.00 44.91 ? 102 TYR A CE2 1 -ATOM 834 C CZ . TYR A 1 102 ? -64.908 0.768 42.214 1.00 43.61 ? 102 TYR A CZ 1 -ATOM 835 O OH . TYR A 1 102 ? -65.575 1.955 42.042 1.00 44.46 ? 102 TYR A OH 1 -ATOM 836 N N . PHE A 1 103 ? -60.543 -2.412 41.005 1.00 49.33 ? 103 PHE A N 1 -ATOM 837 C CA . PHE A 1 103 ? -59.729 -1.761 40.007 1.00 49.91 ? 103 PHE A CA 1 -ATOM 838 C C . PHE A 1 103 ? -60.481 -0.612 39.354 1.00 50.56 ? 103 PHE A C 1 -ATOM 839 O O . PHE A 1 103 ? -60.997 -0.737 38.238 1.00 51.12 ? 103 PHE A O 1 -ATOM 840 C CB . PHE A 1 103 ? -59.198 -2.758 38.970 1.00 49.57 ? 103 PHE A CB 1 -ATOM 841 C CG . PHE A 1 103 ? -58.066 -2.216 38.174 1.00 51.43 ? 103 PHE A CG 1 -ATOM 842 C CD1 . PHE A 1 103 ? -56.758 -2.406 38.598 1.00 49.71 ? 103 PHE A CD1 1 -ATOM 843 C CD2 . PHE A 1 103 ? -58.303 -1.454 37.034 1.00 48.34 ? 103 PHE A CD2 1 -ATOM 844 C CE1 . PHE A 1 103 ? -55.703 -1.872 37.882 1.00 52.40 ? 103 PHE A CE1 1 -ATOM 845 C CE2 . PHE A 1 103 ? -57.250 -0.920 36.314 1.00 51.34 ? 103 PHE A CE2 1 -ATOM 846 C CZ . PHE A 1 103 ? -55.948 -1.128 36.735 1.00 46.22 ? 103 PHE A CZ 1 -ATOM 847 N N . VAL A 1 104 ? -60.509 0.516 40.061 1.00 51.44 ? 104 VAL A N 1 -ATOM 848 C CA . VAL A 1 104 ? -61.314 1.674 39.671 1.00 51.14 ? 104 VAL A CA 1 -ATOM 849 C C . VAL A 1 104 ? -60.957 2.304 38.339 1.00 51.30 ? 104 VAL A C 1 -ATOM 850 O O . VAL A 1 104 ? -61.622 3.233 37.925 1.00 54.25 ? 104 VAL A O 1 -ATOM 851 C CB . VAL A 1 104 ? -61.251 2.806 40.717 1.00 50.13 ? 104 VAL A CB 1 -ATOM 852 C CG1 . VAL A 1 104 ? -61.826 2.356 42.042 1.00 47.56 ? 104 VAL A CG1 1 -ATOM 853 C CG2 . VAL A 1 104 ? -59.822 3.310 40.872 1.00 51.61 ? 104 VAL A CG2 1 -ATOM 854 N N . PHE A 1 105 ? -59.917 1.840 37.664 1.00 53.00 ? 105 PHE A N 1 -ATOM 855 C CA . PHE A 1 105 ? -59.527 2.534 36.433 1.00 56.81 ? 105 PHE A CA 1 -ATOM 856 C C . PHE A 1 105 ? -60.117 1.921 35.178 1.00 57.78 ? 105 PHE A C 1 -ATOM 857 O O . PHE A 1 105 ? -59.906 2.425 34.082 1.00 58.51 ? 105 PHE A O 1 -ATOM 858 C CB . PHE A 1 105 ? -58.002 2.698 36.306 1.00 57.27 ? 105 PHE A CB 1 -ATOM 859 C CG . PHE A 1 105 ? -57.406 3.650 37.311 1.00 54.12 ? 105 PHE A CG 1 -ATOM 860 C CD1 . PHE A 1 105 ? -57.796 4.990 37.338 1.00 48.60 ? 105 PHE A CD1 1 -ATOM 861 C CD2 . PHE A 1 105 ? -56.454 3.206 38.226 1.00 48.94 ? 105 PHE A CD2 1 -ATOM 862 C CE1 . PHE A 1 105 ? -57.248 5.874 38.264 1.00 51.71 ? 105 PHE A CE1 1 -ATOM 863 C CE2 . PHE A 1 105 ? -55.899 4.081 39.163 1.00 53.33 ? 105 PHE A CE2 1 -ATOM 864 C CZ . PHE A 1 105 ? -56.296 5.419 39.184 1.00 48.61 ? 105 PHE A CZ 1 -ATOM 865 N N . GLY A 1 106 ? -60.851 0.827 35.340 1.00 60.71 ? 106 GLY A N 1 -ATOM 866 C CA . GLY A 1 106 ? -61.531 0.206 34.210 1.00 62.86 ? 106 GLY A CA 1 -ATOM 867 C C . GLY A 1 106 ? -60.616 -0.626 33.340 1.00 65.88 ? 106 GLY A C 1 -ATOM 868 O O . GLY A 1 106 ? -59.414 -0.699 33.590 1.00 67.47 ? 106 GLY A O 1 -ATOM 869 N N . PRO A 1 107 ? -61.187 -1.268 32.306 1.00 68.37 ? 107 PRO A N 1 -ATOM 870 C CA . PRO A 1 107 ? -60.468 -2.164 31.397 1.00 66.19 ? 107 PRO A CA 1 -ATOM 871 C C . PRO A 1 107 ? -59.259 -1.538 30.714 1.00 64.68 ? 107 PRO A C 1 -ATOM 872 O O . PRO A 1 107 ? -58.236 -2.198 30.590 1.00 65.05 ? 107 PRO A O 1 -ATOM 873 C CB . PRO A 1 107 ? -61.532 -2.531 30.360 1.00 65.75 ? 107 PRO A CB 1 -ATOM 874 C CG . PRO A 1 107 ? -62.797 -2.455 31.115 1.00 68.06 ? 107 PRO A CG 1 -ATOM 875 C CD . PRO A 1 107 ? -62.635 -1.273 32.033 1.00 67.58 ? 107 PRO A CD 1 -ATOM 876 N N . THR A 1 108 ? -59.356 -0.293 30.261 1.00 65.60 ? 108 THR A N 1 -ATOM 877 C CA . THR A 1 108 ? -58.200 0.305 29.583 1.00 67.71 ? 108 THR A CA 1 -ATOM 878 C C . THR A 1 108 ? -57.090 0.590 30.598 1.00 65.70 ? 108 THR A C 1 -ATOM 879 O O . THR A 1 108 ? -55.919 0.274 30.353 1.00 64.63 ? 108 THR A O 1 -ATOM 880 C CB . THR A 1 108 ? -58.546 1.567 28.741 1.00 67.74 ? 108 THR A CB 1 -ATOM 881 O OG1 . THR A 1 108 ? -59.104 2.569 29.593 1.00 75.75 ? 108 THR A OG1 1 -ATOM 882 C CG2 . THR A 1 108 ? -59.537 1.226 27.617 1.00 62.71 ? 108 THR A CG2 1 -ATOM 883 N N . GLY A 1 109 ? -57.473 1.160 31.741 1.00 62.07 ? 109 GLY A N 1 -ATOM 884 C CA . GLY A 1 109 ? -56.551 1.345 32.856 1.00 58.68 ? 109 GLY A CA 1 -ATOM 885 C C . GLY A 1 109 ? -55.891 0.030 33.215 1.00 57.44 ? 109 GLY A C 1 -ATOM 886 O O . GLY A 1 109 ? -54.683 -0.036 33.456 1.00 59.79 ? 109 GLY A O 1 -ATOM 887 N N . CYS A 1 110 ? -56.695 -1.024 33.238 1.00 54.90 ? 110 CYS A N 1 -ATOM 888 C CA . CYS A 1 110 ? -56.203 -2.364 33.462 1.00 55.18 ? 110 CYS A CA 1 -ATOM 889 C C . CYS A 1 110 ? -55.129 -2.735 32.441 1.00 57.36 ? 110 CYS A C 1 -ATOM 890 O O . CYS A 1 110 ? -54.134 -3.365 32.790 1.00 60.33 ? 110 CYS A O 1 -ATOM 891 C CB . CYS A 1 110 ? -57.359 -3.354 33.393 1.00 53.02 ? 110 CYS A CB 1 -ATOM 892 S SG . CYS A 1 110 ? -56.907 -5.043 33.789 1.00 59.76 ? 110 CYS A SG 1 -ATOM 893 N N . ASN A 1 111 ? -55.329 -2.347 31.184 1.00 57.34 ? 111 ASN A N 1 -ATOM 894 C CA . ASN A 1 111 ? -54.350 -2.644 30.141 1.00 57.26 ? 111 ASN A CA 1 -ATOM 895 C C . ASN A 1 111 ? -53.054 -1.849 30.307 1.00 57.14 ? 111 ASN A C 1 -ATOM 896 O O . ASN A 1 111 ? -51.963 -2.391 30.128 1.00 57.98 ? 111 ASN A O 1 -ATOM 897 C CB . ASN A 1 111 ? -54.943 -2.430 28.741 1.00 57.79 ? 111 ASN A CB 1 -ATOM 898 C CG . ASN A 1 111 ? -55.820 -3.585 28.297 1.00 55.49 ? 111 ASN A CG 1 -ATOM 899 O OD1 . ASN A 1 111 ? -55.339 -4.673 27.980 1.00 52.80 ? 111 ASN A OD1 1 -ATOM 900 N ND2 . ASN A 1 111 ? -57.117 -3.353 28.274 1.00 67.84 ? 111 ASN A ND2 1 -ATOM 901 N N . LEU A 1 112 ? -53.182 -0.565 30.631 1.00 56.30 ? 112 LEU A N 1 -ATOM 902 C CA . LEU A 1 112 ? -52.036 0.282 30.959 1.00 55.54 ? 112 LEU A CA 1 -ATOM 903 C C . LEU A 1 112 ? -51.248 -0.236 32.172 1.00 55.38 ? 112 LEU A C 1 -ATOM 904 O O . LEU A 1 112 ? -50.053 -0.551 32.070 1.00 53.94 ? 112 LEU A O 1 -ATOM 905 C CB . LEU A 1 112 ? -52.504 1.707 31.240 1.00 56.89 ? 112 LEU A CB 1 -ATOM 906 C CG . LEU A 1 112 ? -52.917 2.536 30.029 1.00 58.54 ? 112 LEU A CG 1 -ATOM 907 C CD1 . LEU A 1 112 ? -53.654 3.788 30.493 1.00 50.53 ? 112 LEU A CD1 1 -ATOM 908 C CD2 . LEU A 1 112 ? -51.693 2.887 29.183 1.00 56.89 ? 112 LEU A CD2 1 -ATOM 909 N N . GLU A 1 113 ? -51.912 -0.326 33.321 1.00 51.76 ? 113 GLU A N 1 -ATOM 910 C CA . GLU A 1 113 ? -51.231 -0.778 34.521 1.00 52.04 ? 113 GLU A CA 1 -ATOM 911 C C . GLU A 1 113 ? -50.575 -2.148 34.328 1.00 53.26 ? 113 GLU A C 1 -ATOM 912 O O . GLU A 1 113 ? -49.449 -2.363 34.754 1.00 56.11 ? 113 GLU A O 1 -ATOM 913 C CB . GLU A 1 113 ? -52.180 -0.783 35.715 1.00 51.59 ? 113 GLU A CB 1 -ATOM 914 C CG . GLU A 1 113 ? -51.496 -1.006 37.051 1.00 51.35 ? 113 GLU A CG 1 -ATOM 915 C CD . GLU A 1 113 ? -51.322 -2.474 37.385 1.00 55.80 ? 113 GLU A CD 1 -ATOM 916 O OE1 . GLU A 1 113 ? -52.175 -3.282 36.974 1.00 56.54 ? 113 GLU A OE1 1 -ATOM 917 O OE2 . GLU A 1 113 ? -50.339 -2.827 38.068 1.00 61.61 ? 113 GLU A OE2 1 -ATOM 918 N N . GLY A 1 114 ? -51.274 -3.073 33.684 1.00 52.44 ? 114 GLY A N 1 -ATOM 919 C CA . GLY A 1 114 ? -50.723 -4.398 33.451 1.00 51.49 ? 114 GLY A CA 1 -ATOM 920 C C . GLY A 1 114 ? -49.538 -4.345 32.505 1.00 53.97 ? 114 GLY A C 1 -ATOM 921 O O . GLY A 1 114 ? -48.583 -5.113 32.637 1.00 54.92 ? 114 GLY A O 1 -ATOM 922 N N . PHE A 1 115 ? -49.586 -3.434 31.545 1.00 53.71 ? 115 PHE A N 1 -ATOM 923 C CA . PHE A 1 115 ? -48.512 -3.350 30.569 1.00 54.83 ? 115 PHE A CA 1 -ATOM 924 C C . PHE A 1 115 ? -47.234 -2.815 31.223 1.00 54.64 ? 115 PHE A C 1 -ATOM 925 O O . PHE A 1 115 ? -46.151 -3.395 31.074 1.00 53.14 ? 115 PHE A O 1 -ATOM 926 C CB . PHE A 1 115 ? -48.915 -2.500 29.349 1.00 53.66 ? 115 PHE A CB 1 -ATOM 927 C CG . PHE A 1 115 ? -47.774 -2.217 28.405 1.00 52.94 ? 115 PHE A CG 1 -ATOM 928 C CD1 . PHE A 1 115 ? -47.385 -3.161 27.458 1.00 56.45 ? 115 PHE A CD1 1 -ATOM 929 C CD2 . PHE A 1 115 ? -47.073 -1.019 28.482 1.00 52.11 ? 115 PHE A CD2 1 -ATOM 930 C CE1 . PHE A 1 115 ? -46.323 -2.911 26.595 1.00 58.52 ? 115 PHE A CE1 1 -ATOM 931 C CE2 . PHE A 1 115 ? -46.009 -0.756 27.622 1.00 55.19 ? 115 PHE A CE2 1 -ATOM 932 C CZ . PHE A 1 115 ? -45.634 -1.705 26.675 1.00 56.18 ? 115 PHE A CZ 1 -ATOM 933 N N . PHE A 1 116 ? -47.359 -1.706 31.944 1.00 55.13 ? 116 PHE A N 1 -ATOM 934 C CA . PHE A 1 116 ? -46.181 -1.084 32.547 1.00 53.75 ? 116 PHE A CA 1 -ATOM 935 C C . PHE A 1 116 ? -45.601 -1.916 33.703 1.00 53.16 ? 116 PHE A C 1 -ATOM 936 O O . PHE A 1 116 ? -44.383 -2.041 33.830 1.00 52.89 ? 116 PHE A O 1 -ATOM 937 C CB . PHE A 1 116 ? -46.440 0.383 32.912 1.00 49.31 ? 116 PHE A CB 1 -ATOM 938 C CG . PHE A 1 116 ? -46.465 1.295 31.716 1.00 52.27 ? 116 PHE A CG 1 -ATOM 939 C CD1 . PHE A 1 116 ? -45.312 1.519 30.969 1.00 60.53 ? 116 PHE A CD1 1 -ATOM 940 C CD2 . PHE A 1 116 ? -47.640 1.915 31.311 1.00 61.06 ? 116 PHE A CD2 1 -ATOM 941 C CE1 . PHE A 1 116 ? -45.326 2.359 29.830 1.00 56.57 ? 116 PHE A CE1 1 -ATOM 942 C CE2 . PHE A 1 116 ? -47.660 2.757 30.177 1.00 58.88 ? 116 PHE A CE2 1 -ATOM 943 C CZ . PHE A 1 116 ? -46.497 2.973 29.439 1.00 49.02 ? 116 PHE A CZ 1 -ATOM 944 N N . ALA A 1 117 ? -46.461 -2.533 34.505 1.00 51.58 ? 117 ALA A N 1 -ATOM 945 C CA . ALA A 1 117 ? -45.972 -3.413 35.556 1.00 52.68 ? 117 ALA A CA 1 -ATOM 946 C C . ALA A 1 117 ? -45.231 -4.602 34.943 1.00 53.65 ? 117 ALA A C 1 -ATOM 947 O O . ALA A 1 117 ? -44.139 -4.963 35.373 1.00 55.00 ? 117 ALA A O 1 -ATOM 948 C CB . ALA A 1 117 ? -47.105 -3.883 36.439 1.00 52.71 ? 117 ALA A CB 1 -ATOM 949 N N . THR A 1 118 ? -45.824 -5.209 33.927 1.00 55.44 ? 118 THR A N 1 -ATOM 950 C CA . THR A 1 118 ? -45.186 -6.336 33.262 1.00 53.50 ? 118 THR A CA 1 -ATOM 951 C C . THR A 1 118 ? -43.890 -5.897 32.578 1.00 53.87 ? 118 THR A C 1 -ATOM 952 O O . THR A 1 118 ? -42.850 -6.523 32.770 1.00 54.28 ? 118 THR A O 1 -ATOM 953 C CB . THR A 1 118 ? -46.138 -7.001 32.253 1.00 53.36 ? 118 THR A CB 1 -ATOM 954 O OG1 . THR A 1 118 ? -47.354 -7.357 32.925 1.00 47.22 ? 118 THR A OG1 1 -ATOM 955 C CG2 . THR A 1 118 ? -45.499 -8.252 31.632 1.00 47.45 ? 118 THR A CG2 1 -ATOM 956 N N . LEU A 1 119 ? -43.942 -4.817 31.801 1.00 51.83 ? 119 LEU A N 1 -ATOM 957 C CA . LEU A 1 119 ? -42.741 -4.339 31.137 1.00 51.92 ? 119 LEU A CA 1 -ATOM 958 C C . LEU A 1 119 ? -41.617 -4.230 32.165 1.00 52.84 ? 119 LEU A C 1 -ATOM 959 O O . LEU A 1 119 ? -40.553 -4.843 32.002 1.00 53.23 ? 119 LEU A O 1 -ATOM 960 C CB . LEU A 1 119 ? -42.989 -3.002 30.433 1.00 52.45 ? 119 LEU A CB 1 -ATOM 961 C CG . LEU A 1 119 ? -41.941 -2.522 29.409 1.00 51.34 ? 119 LEU A CG 1 -ATOM 962 C CD1 . LEU A 1 119 ? -41.786 -3.463 28.225 1.00 46.68 ? 119 LEU A CD1 1 -ATOM 963 C CD2 . LEU A 1 119 ? -42.272 -1.124 28.913 1.00 47.81 ? 119 LEU A CD2 1 -ATOM 964 N N . GLY A 1 120 ? -41.885 -3.487 33.242 1.00 52.94 ? 120 GLY A N 1 -ATOM 965 C CA . GLY A 1 120 ? -40.947 -3.316 34.361 1.00 47.11 ? 120 GLY A CA 1 -ATOM 966 C C . GLY A 1 120 ? -40.355 -4.620 34.852 1.00 44.77 ? 120 GLY A C 1 -ATOM 967 O O . GLY A 1 120 ? -39.155 -4.843 34.762 1.00 46.36 ? 120 GLY A O 1 -ATOM 968 N N . GLY A 1 121 ? -41.201 -5.499 35.356 1.00 44.42 ? 121 GLY A N 1 -ATOM 969 C CA . GLY A 1 121 ? -40.730 -6.776 35.874 1.00 49.09 ? 121 GLY A CA 1 -ATOM 970 C C . GLY A 1 121 ? -39.947 -7.589 34.865 1.00 51.74 ? 121 GLY A C 1 -ATOM 971 O O . GLY A 1 121 ? -39.074 -8.362 35.239 1.00 53.72 ? 121 GLY A O 1 -ATOM 972 N N . GLU A 1 122 ? -40.264 -7.414 33.582 1.00 54.16 ? 122 GLU A N 1 -ATOM 973 C CA . GLU A 1 122 ? -39.621 -8.178 32.516 1.00 53.09 ? 122 GLU A CA 1 -ATOM 974 C C . GLU A 1 122 ? -38.265 -7.600 32.127 1.00 51.79 ? 122 GLU A C 1 -ATOM 975 O O . GLU A 1 122 ? -37.314 -8.351 31.914 1.00 50.11 ? 122 GLU A O 1 -ATOM 976 C CB . GLU A 1 122 ? -40.541 -8.299 31.291 1.00 55.03 ? 122 GLU A CB 1 -ATOM 977 C CG . GLU A 1 122 ? -41.600 -9.391 31.428 1.00 54.69 ? 122 GLU A CG 1 -ATOM 978 C CD . GLU A 1 122 ? -41.052 -10.789 31.170 1.00 63.83 ? 122 GLU A CD 1 -ATOM 979 O OE1 . GLU A 1 122 ? -40.469 -10.993 30.086 1.00 68.62 ? 122 GLU A OE1 1 -ATOM 980 O OE2 . GLU A 1 122 ? -41.211 -11.684 32.037 1.00 60.61 ? 122 GLU A OE2 1 -ATOM 981 N N . ILE A 1 123 ? -38.175 -6.274 32.034 1.00 49.60 ? 123 ILE A N 1 -ATOM 982 C CA . ILE A 1 123 ? -36.892 -5.618 31.779 1.00 49.32 ? 123 ILE A CA 1 -ATOM 983 C C . ILE A 1 123 ? -35.909 -5.965 32.891 1.00 52.12 ? 123 ILE A C 1 -ATOM 984 O O . ILE A 1 123 ? -34.736 -6.236 32.625 1.00 54.92 ? 123 ILE A O 1 -ATOM 985 C CB . ILE A 1 123 ? -37.029 -4.092 31.674 1.00 48.16 ? 123 ILE A CB 1 -ATOM 986 C CG1 . ILE A 1 123 ? -37.960 -3.718 30.519 1.00 51.42 ? 123 ILE A CG1 1 -ATOM 987 C CG2 . ILE A 1 123 ? -35.677 -3.453 31.459 1.00 48.10 ? 123 ILE A CG2 1 -ATOM 988 C CD1 . ILE A 1 123 ? -38.196 -2.238 30.364 1.00 47.93 ? 123 ILE A CD1 1 -ATOM 989 N N . ALA A 1 124 ? -36.395 -5.969 34.133 1.00 53.16 ? 124 ALA A N 1 -ATOM 990 C CA . ALA A 1 124 ? -35.595 -6.391 35.276 1.00 53.48 ? 124 ALA A CA 1 -ATOM 991 C C . ALA A 1 124 ? -35.124 -7.818 35.059 1.00 55.24 ? 124 ALA A C 1 -ATOM 992 O O . ALA A 1 124 ? -33.930 -8.085 35.075 1.00 59.60 ? 124 ALA A O 1 -ATOM 993 C CB . ALA A 1 124 ? -36.385 -6.278 36.571 1.00 50.27 ? 124 ALA A CB 1 -ATOM 994 N N . LEU A 1 125 ? -36.068 -8.727 34.843 1.00 56.90 ? 125 LEU A N 1 -ATOM 995 C CA . LEU A 1 125 ? -35.760 -10.130 34.567 1.00 58.10 ? 125 LEU A CA 1 -ATOM 996 C C . LEU A 1 125 ? -34.657 -10.292 33.503 1.00 57.99 ? 125 LEU A C 1 -ATOM 997 O O . LEU A 1 125 ? -33.646 -10.945 33.743 1.00 56.77 ? 125 LEU A O 1 -ATOM 998 C CB . LEU A 1 125 ? -37.046 -10.881 34.169 1.00 58.88 ? 125 LEU A CB 1 -ATOM 999 C CG . LEU A 1 125 ? -37.052 -12.242 33.457 1.00 59.73 ? 125 LEU A CG 1 -ATOM 1000 C CD1 . LEU A 1 125 ? -35.970 -13.166 33.962 1.00 62.65 ? 125 LEU A CD1 1 -ATOM 1001 C CD2 . LEU A 1 125 ? -38.416 -12.907 33.619 1.00 64.11 ? 125 LEU A CD2 1 -ATOM 1002 N N . TRP A 1 126 ? -34.838 -9.686 32.337 1.00 58.49 ? 126 TRP A N 1 -ATOM 1003 C CA . TRP A 1 126 ? -33.861 -9.865 31.274 1.00 60.63 ? 126 TRP A CA 1 -ATOM 1004 C C . TRP A 1 126 ? -32.538 -9.153 31.554 1.00 60.42 ? 126 TRP A C 1 -ATOM 1005 O O . TRP A 1 126 ? -31.481 -9.565 31.046 1.00 62.13 ? 126 TRP A O 1 -ATOM 1006 C CB . TRP A 1 126 ? -34.441 -9.506 29.904 1.00 60.86 ? 126 TRP A CB 1 -ATOM 1007 C CG . TRP A 1 126 ? -35.295 -10.617 29.362 1.00 67.91 ? 126 TRP A CG 1 -ATOM 1008 C CD1 . TRP A 1 126 ? -36.660 -10.644 29.285 1.00 70.18 ? 126 TRP A CD1 1 -ATOM 1009 C CD2 . TRP A 1 126 ? -34.842 -11.878 28.852 1.00 69.26 ? 126 TRP A CD2 1 -ATOM 1010 N NE1 . TRP A 1 126 ? -37.080 -11.834 28.749 1.00 66.74 ? 126 TRP A NE1 1 -ATOM 1011 C CE2 . TRP A 1 126 ? -35.985 -12.610 28.474 1.00 69.06 ? 126 TRP A CE2 1 -ATOM 1012 C CE3 . TRP A 1 126 ? -33.581 -12.457 28.675 1.00 69.94 ? 126 TRP A CE3 1 -ATOM 1013 C CZ2 . TRP A 1 126 ? -35.905 -13.892 27.929 1.00 68.77 ? 126 TRP A CZ2 1 -ATOM 1014 C CZ3 . TRP A 1 126 ? -33.504 -13.732 28.134 1.00 67.11 ? 126 TRP A CZ3 1 -ATOM 1015 C CH2 . TRP A 1 126 ? -34.658 -14.434 27.769 1.00 68.68 ? 126 TRP A CH2 1 -ATOM 1016 N N . SER A 1 127 ? -32.593 -8.100 32.367 1.00 56.17 ? 127 SER A N 1 -ATOM 1017 C CA . SER A 1 127 ? -31.373 -7.450 32.822 1.00 52.51 ? 127 SER A CA 1 -ATOM 1018 C C . SER A 1 127 ? -30.548 -8.459 33.606 1.00 52.53 ? 127 SER A C 1 -ATOM 1019 O O . SER A 1 127 ? -29.409 -8.731 33.256 1.00 54.97 ? 127 SER A O 1 -ATOM 1020 C CB . SER A 1 127 ? -31.688 -6.229 33.673 1.00 50.82 ? 127 SER A CB 1 -ATOM 1021 O OG . SER A 1 127 ? -32.174 -5.177 32.863 1.00 46.94 ? 127 SER A OG 1 -ATOM 1022 N N . LEU A 1 128 ? -31.133 -9.034 34.649 1.00 50.16 ? 128 LEU A N 1 -ATOM 1023 C CA . LEU A 1 128 ? -30.448 -10.047 35.433 1.00 51.83 ? 128 LEU A CA 1 -ATOM 1024 C C . LEU A 1 128 ? -29.824 -11.132 34.551 1.00 53.53 ? 128 LEU A C 1 -ATOM 1025 O O . LEU A 1 128 ? -28.785 -11.697 34.893 1.00 55.30 ? 128 LEU A O 1 -ATOM 1026 C CB . LEU A 1 128 ? -31.395 -10.681 36.456 1.00 52.19 ? 128 LEU A CB 1 -ATOM 1027 C CG . LEU A 1 128 ? -31.894 -9.799 37.597 1.00 48.52 ? 128 LEU A CG 1 -ATOM 1028 C CD1 . LEU A 1 128 ? -32.274 -10.687 38.758 1.00 48.92 ? 128 LEU A CD1 1 -ATOM 1029 C CD2 . LEU A 1 128 ? -30.822 -8.813 38.015 1.00 52.05 ? 128 LEU A CD2 1 -ATOM 1030 N N . VAL A 1 129 ? -30.459 -11.427 33.423 1.00 53.07 ? 129 VAL A N 1 -ATOM 1031 C CA . VAL A 1 129 ? -29.890 -12.374 32.460 1.00 51.73 ? 129 VAL A CA 1 -ATOM 1032 C C . VAL A 1 129 ? -28.702 -11.753 31.711 1.00 51.12 ? 129 VAL A C 1 -ATOM 1033 O O . VAL A 1 129 ? -27.590 -12.304 31.734 1.00 48.97 ? 129 VAL A O 1 -ATOM 1034 C CB . VAL A 1 129 ? -30.955 -12.903 31.445 1.00 51.43 ? 129 VAL A CB 1 -ATOM 1035 C CG1 . VAL A 1 129 ? -30.289 -13.542 30.247 1.00 44.09 ? 129 VAL A CG1 1 -ATOM 1036 C CG2 . VAL A 1 129 ? -31.887 -13.891 32.113 1.00 45.77 ? 129 VAL A CG2 1 -ATOM 1037 N N . VAL A 1 130 ? -28.940 -10.618 31.048 1.00 47.37 ? 130 VAL A N 1 -ATOM 1038 C CA . VAL A 1 130 ? -27.893 -9.945 30.284 1.00 47.35 ? 130 VAL A CA 1 -ATOM 1039 C C . VAL A 1 130 ? -26.627 -9.762 31.130 1.00 50.71 ? 130 VAL A C 1 -ATOM 1040 O O . VAL A 1 130 ? -25.517 -10.032 30.662 1.00 53.71 ? 130 VAL A O 1 -ATOM 1041 C CB . VAL A 1 130 ? -28.390 -8.603 29.709 1.00 48.06 ? 130 VAL A CB 1 -ATOM 1042 C CG1 . VAL A 1 130 ? -27.241 -7.748 29.204 1.00 40.50 ? 130 VAL A CG1 1 -ATOM 1043 C CG2 . VAL A 1 130 ? -29.399 -8.855 28.595 1.00 50.02 ? 130 VAL A CG2 1 -ATOM 1044 N N . LEU A 1 131 ? -26.813 -9.342 32.382 1.00 51.57 ? 131 LEU A N 1 -ATOM 1045 C CA . LEU A 1 131 ? -25.730 -9.175 33.359 1.00 49.20 ? 131 LEU A CA 1 -ATOM 1046 C C . LEU A 1 131 ? -24.905 -10.448 33.577 1.00 48.42 ? 131 LEU A C 1 -ATOM 1047 O O . LEU A 1 131 ? -23.679 -10.397 33.640 1.00 49.73 ? 131 LEU A O 1 -ATOM 1048 C CB . LEU A 1 131 ? -26.294 -8.683 34.701 1.00 49.76 ? 131 LEU A CB 1 -ATOM 1049 C CG . LEU A 1 131 ? -25.290 -8.262 35.786 1.00 52.55 ? 131 LEU A CG 1 -ATOM 1050 C CD1 . LEU A 1 131 ? -24.441 -7.082 35.325 1.00 56.56 ? 131 LEU A CD1 1 -ATOM 1051 C CD2 . LEU A 1 131 ? -25.987 -7.927 37.095 1.00 56.07 ? 131 LEU A CD2 1 -ATOM 1052 N N . ALA A 1 132 ? -25.564 -11.590 33.712 1.00 48.60 ? 132 ALA A N 1 -ATOM 1053 C CA . ALA A 1 132 ? -24.829 -12.844 33.802 1.00 50.55 ? 132 ALA A CA 1 -ATOM 1054 C C . ALA A 1 132 ? -24.060 -13.102 32.494 1.00 54.85 ? 132 ALA A C 1 -ATOM 1055 O O . ALA A 1 132 ? -22.910 -13.527 32.531 1.00 57.26 ? 132 ALA A O 1 -ATOM 1056 C CB . ALA A 1 132 ? -25.756 -14.003 34.127 1.00 47.08 ? 132 ALA A CB 1 -ATOM 1057 N N . ILE A 1 133 ? -24.682 -12.846 31.344 1.00 54.59 ? 133 ILE A N 1 -ATOM 1058 C CA . ILE A 1 133 ? -23.979 -13.030 30.086 1.00 56.20 ? 133 ILE A CA 1 -ATOM 1059 C C . ILE A 1 133 ? -22.722 -12.151 30.071 1.00 58.97 ? 133 ILE A C 1 -ATOM 1060 O O . ILE A 1 133 ? -21.603 -12.656 29.942 1.00 61.71 ? 133 ILE A O 1 -ATOM 1061 C CB . ILE A 1 133 ? -24.888 -12.750 28.857 1.00 57.74 ? 133 ILE A CB 1 -ATOM 1062 C CG1 . ILE A 1 133 ? -25.894 -13.890 28.673 1.00 55.15 ? 133 ILE A CG1 1 -ATOM 1063 C CG2 . ILE A 1 133 ? -24.056 -12.570 27.580 1.00 48.16 ? 133 ILE A CG2 1 -ATOM 1064 C CD1 . ILE A 1 133 ? -27.095 -13.524 27.825 1.00 47.69 ? 133 ILE A CD1 1 -ATOM 1065 N N . GLU A 1 134 ? -22.897 -10.843 30.226 1.00 57.44 ? 134 GLU A N 1 -ATOM 1066 C CA . GLU A 1 134 ? -21.760 -9.925 30.198 1.00 55.62 ? 134 GLU A CA 1 -ATOM 1067 C C . GLU A 1 134 ? -20.652 -10.329 31.179 1.00 55.91 ? 134 GLU A C 1 -ATOM 1068 O O . GLU A 1 134 ? -19.469 -10.289 30.850 1.00 56.91 ? 134 GLU A O 1 -ATOM 1069 C CB . GLU A 1 134 ? -22.231 -8.497 30.450 1.00 53.36 ? 134 GLU A CB 1 -ATOM 1070 C CG . GLU A 1 134 ? -23.128 -7.982 29.346 1.00 58.08 ? 134 GLU A CG 1 -ATOM 1071 C CD . GLU A 1 134 ? -23.706 -6.606 29.625 1.00 66.14 ? 134 GLU A CD 1 -ATOM 1072 O OE1 . GLU A 1 134 ? -23.458 -6.039 30.717 1.00 74.08 ? 134 GLU A OE1 1 -ATOM 1073 O OE2 . GLU A 1 134 ? -24.420 -6.091 28.739 1.00 61.58 ? 134 GLU A OE2 1 -ATOM 1074 N N . ARG A 1 135 ? -21.029 -10.736 32.382 1.00 55.45 ? 135 ARG A N 1 -ATOM 1075 C CA . ARG A 1 135 ? -20.035 -11.175 33.348 1.00 55.97 ? 135 ARG A CA 1 -ATOM 1076 C C . ARG A 1 135 ? -19.292 -12.419 32.876 1.00 56.70 ? 135 ARG A C 1 -ATOM 1077 O O . ARG A 1 135 ? -18.084 -12.517 33.026 1.00 58.74 ? 135 ARG A O 1 -ATOM 1078 C CB . ARG A 1 135 ? -20.672 -11.376 34.720 1.00 55.89 ? 135 ARG A CB 1 -ATOM 1079 C CG . ARG A 1 135 ? -21.019 -10.054 35.369 1.00 55.25 ? 135 ARG A CG 1 -ATOM 1080 C CD . ARG A 1 135 ? -21.820 -10.214 36.628 1.00 60.38 ? 135 ARG A CD 1 -ATOM 1081 N NE . ARG A 1 135 ? -21.967 -8.918 37.279 1.00 66.67 ? 135 ARG A NE 1 -ATOM 1082 C CZ . ARG A 1 135 ? -22.676 -8.707 38.379 1.00 66.56 ? 135 ARG A CZ 1 -ATOM 1083 N NH1 . ARG A 1 135 ? -23.326 -9.701 38.960 1.00 63.61 ? 135 ARG A NH1 1 -ATOM 1084 N NH2 . ARG A 1 135 ? -22.734 -7.493 38.895 1.00 71.28 ? 135 ARG A NH2 1 -ATOM 1085 N N . TYR A 1 136 ? -20.018 -13.358 32.285 1.00 59.43 ? 136 TYR A N 1 -ATOM 1086 C CA . TYR A 1 136 ? -19.423 -14.568 31.727 1.00 58.45 ? 136 TYR A CA 1 -ATOM 1087 C C . TYR A 1 136 ? -18.456 -14.212 30.606 1.00 59.75 ? 136 TYR A C 1 -ATOM 1088 O O . TYR A 1 136 ? -17.325 -14.693 30.578 1.00 62.37 ? 136 TYR A O 1 -ATOM 1089 C CB . TYR A 1 136 ? -20.520 -15.501 31.213 1.00 54.95 ? 136 TYR A CB 1 -ATOM 1090 C CG . TYR A 1 136 ? -20.065 -16.547 30.225 1.00 57.49 ? 136 TYR A CG 1 -ATOM 1091 C CD1 . TYR A 1 136 ? -19.326 -17.650 30.646 1.00 61.13 ? 136 TYR A CD1 1 -ATOM 1092 C CD2 . TYR A 1 136 ? -20.397 -16.448 28.867 1.00 62.91 ? 136 TYR A CD2 1 -ATOM 1093 C CE1 . TYR A 1 136 ? -18.916 -18.617 29.755 1.00 62.01 ? 136 TYR A CE1 1 -ATOM 1094 C CE2 . TYR A 1 136 ? -20.000 -17.418 27.960 1.00 61.78 ? 136 TYR A CE2 1 -ATOM 1095 C CZ . TYR A 1 136 ? -19.257 -18.499 28.417 1.00 67.12 ? 136 TYR A CZ 1 -ATOM 1096 O OH . TYR A 1 136 ? -18.844 -19.472 27.545 1.00 64.27 ? 136 TYR A OH 1 -ATOM 1097 N N . VAL A 1 137 ? -18.903 -13.357 29.692 1.00 58.39 ? 137 VAL A N 1 -ATOM 1098 C CA . VAL A 1 137 ? -18.082 -12.942 28.567 1.00 57.22 ? 137 VAL A CA 1 -ATOM 1099 C C . VAL A 1 137 ? -16.785 -12.281 29.052 1.00 58.80 ? 137 VAL A C 1 -ATOM 1100 O O . VAL A 1 137 ? -15.693 -12.684 28.660 1.00 61.49 ? 137 VAL A O 1 -ATOM 1101 C CB . VAL A 1 137 ? -18.880 -12.018 27.602 1.00 58.31 ? 137 VAL A CB 1 -ATOM 1102 C CG1 . VAL A 1 137 ? -17.957 -11.105 26.800 1.00 52.90 ? 137 VAL A CG1 1 -ATOM 1103 C CG2 . VAL A 1 137 ? -19.770 -12.852 26.683 1.00 54.81 ? 137 VAL A CG2 1 -ATOM 1104 N N . VAL A 1 138 ? -16.903 -11.287 29.924 1.00 58.54 ? 138 VAL A N 1 -ATOM 1105 C CA . VAL A 1 138 ? -15.738 -10.553 30.407 1.00 54.93 ? 138 VAL A CA 1 -ATOM 1106 C C . VAL A 1 138 ? -14.752 -11.402 31.222 1.00 56.21 ? 138 VAL A C 1 -ATOM 1107 O O . VAL A 1 138 ? -13.541 -11.279 31.058 1.00 58.66 ? 138 VAL A O 1 -ATOM 1108 C CB . VAL A 1 138 ? -16.158 -9.334 31.232 1.00 54.22 ? 138 VAL A CB 1 -ATOM 1109 C CG1 . VAL A 1 138 ? -14.981 -8.799 32.039 1.00 48.49 ? 138 VAL A CG1 1 -ATOM 1110 C CG2 . VAL A 1 138 ? -16.729 -8.269 30.322 1.00 51.84 ? 138 VAL A CG2 1 -ATOM 1111 N N . VAL A 1 139 ? -15.263 -12.268 32.085 1.00 54.12 ? 139 VAL A N 1 -ATOM 1112 C CA . VAL A 1 139 ? -14.401 -12.964 33.023 1.00 51.73 ? 139 VAL A CA 1 -ATOM 1113 C C . VAL A 1 139 ? -13.953 -14.313 32.506 1.00 54.96 ? 139 VAL A C 1 -ATOM 1114 O O . VAL A 1 139 ? -12.778 -14.642 32.584 1.00 58.12 ? 139 VAL A O 1 -ATOM 1115 C CB . VAL A 1 139 ? -15.060 -13.086 34.418 1.00 51.32 ? 139 VAL A CB 1 -ATOM 1116 C CG1 . VAL A 1 139 ? -14.318 -14.093 35.302 1.00 43.85 ? 139 VAL A CG1 1 -ATOM 1117 C CG2 . VAL A 1 139 ? -15.111 -11.717 35.078 1.00 46.87 ? 139 VAL A CG2 1 -ATOM 1118 N N . CYS A 1 140 ? -14.886 -15.098 31.983 1.00 60.32 ? 140 CYS A N 1 -ATOM 1119 C CA . CYS A 1 140 ? -14.554 -16.419 31.447 1.00 61.57 ? 140 CYS A CA 1 -ATOM 1120 C C . CYS A 1 140 ? -13.821 -16.342 30.106 1.00 63.87 ? 140 CYS A C 1 -ATOM 1121 O O . CYS A 1 140 ? -13.172 -17.300 29.706 1.00 66.14 ? 140 CYS A O 1 -ATOM 1122 C CB . CYS A 1 140 ? -15.810 -17.269 31.320 1.00 59.46 ? 140 CYS A CB 1 -ATOM 1123 S SG . CYS A 1 140 ? -16.542 -17.683 32.907 1.00 64.08 ? 140 CYS A SG 1 -ATOM 1124 N N . LYS A 1 141 ? -13.923 -15.205 29.422 1.00 65.85 ? 141 LYS A N 1 -ATOM 1125 C CA . LYS A 1 141 ? -13.133 -14.952 28.219 1.00 70.96 ? 141 LYS A CA 1 -ATOM 1126 C C . LYS A 1 141 ? -13.279 -16.064 27.175 1.00 75.01 ? 141 LYS A C 1 -ATOM 1127 O O . LYS A 1 141 ? -12.293 -16.678 26.768 1.00 75.70 ? 141 LYS A O 1 -ATOM 1128 C CB . LYS A 1 141 ? -11.657 -14.770 28.594 1.00 70.92 ? 141 LYS A CB 1 -ATOM 1129 C CG . LYS A 1 141 ? -11.258 -13.358 28.999 1.00 69.84 ? 141 LYS A CG 1 -ATOM 1130 C CD . LYS A 1 141 ? -9.879 -13.335 29.653 1.00 69.13 ? 141 LYS A CD 1 -ATOM 1131 C CE . LYS A 1 141 ? -9.347 -11.904 29.754 1.00 79.66 ? 141 LYS A CE 1 -ATOM 1132 N NZ . LYS A 1 141 ? -8.274 -11.772 30.788 1.00 82.55 ? 141 LYS A NZ 1 -ATOM 1133 N N . PRO A 1 142 ? -14.514 -16.325 26.726 1.00 79.31 ? 142 PRO A N 1 -ATOM 1134 C CA . PRO A 1 142 ? -14.743 -17.440 25.814 1.00 80.56 ? 142 PRO A CA 1 -ATOM 1135 C C . PRO A 1 142 ? -14.518 -17.054 24.348 1.00 82.40 ? 142 PRO A C 1 -ATOM 1136 O O . PRO A 1 142 ? -14.784 -17.851 23.456 1.00 82.29 ? 142 PRO A O 1 -ATOM 1137 C CB . PRO A 1 142 ? -16.221 -17.751 26.043 1.00 81.01 ? 142 PRO A CB 1 -ATOM 1138 C CG . PRO A 1 142 ? -16.839 -16.401 26.337 1.00 79.41 ? 142 PRO A CG 1 -ATOM 1139 C CD . PRO A 1 142 ? -15.741 -15.532 26.939 1.00 80.10 ? 142 PRO A CD 1 -ATOM 1140 N N . MET A 1 143 ? -14.048 -15.835 24.108 1.00 84.42 ? 143 MET A N 1 -ATOM 1141 C CA . MET A 1 143 ? -13.842 -15.345 22.757 1.00 87.02 ? 143 MET A CA 1 -ATOM 1142 C C . MET A 1 143 ? -12.488 -14.661 22.632 1.00 91.43 ? 143 MET A C 1 -ATOM 1143 O O . MET A 1 143 ? -12.209 -13.683 23.326 1.00 92.41 ? 143 MET A O 1 -ATOM 1144 C CB . MET A 1 143 ? -14.931 -14.348 22.384 1.00 86.18 ? 143 MET A CB 1 -ATOM 1145 C CG . MET A 1 143 ? -16.232 -14.955 21.911 1.00 86.32 ? 143 MET A CG 1 -ATOM 1146 S SD . MET A 1 143 ? -17.488 -13.673 21.661 1.00 89.63 ? 143 MET A SD 1 -ATOM 1147 C CE . MET A 1 143 ? -16.614 -12.485 20.640 1.00 90.86 ? 143 MET A CE 1 -ATOM 1148 N N . SER A 1 144 ? -11.654 -15.172 21.731 1.00 95.45 ? 144 SER A N 1 -ATOM 1149 C CA . SER A 1 144 ? -10.331 -14.606 21.493 1.00 97.15 ? 144 SER A CA 1 -ATOM 1150 C C . SER A 1 144 ? -10.382 -13.108 21.158 1.00 96.97 ? 144 SER A C 1 -ATOM 1151 O O . SER A 1 144 ? -11.172 -12.672 20.310 1.00 94.58 ? 144 SER A O 1 -ATOM 1152 C CB . SER A 1 144 ? -9.632 -15.379 20.371 1.00 97.91 ? 144 SER A CB 1 -ATOM 1153 O OG . SER A 1 144 ? -8.321 -14.890 20.158 1.00 102.83 ? 144 SER A OG 1 -ATOM 1154 N N . ASN A 1 145 ? -9.539 -12.331 21.841 1.00 96.94 ? 145 ASN A N 1 -ATOM 1155 C CA . ASN A 1 145 ? -9.368 -10.900 21.559 1.00 97.66 ? 145 ASN A CA 1 -ATOM 1156 C C . ASN A 1 145 ? -10.668 -10.100 21.539 1.00 95.23 ? 145 ASN A C 1 -ATOM 1157 O O . ASN A 1 145 ? -10.878 -9.283 20.643 1.00 96.12 ? 145 ASN A O 1 -ATOM 1158 C CB . ASN A 1 145 ? -8.629 -10.687 20.224 1.00 100.39 ? 145 ASN A CB 1 -ATOM 1159 C CG . ASN A 1 145 ? -7.187 -11.182 20.256 1.00 106.45 ? 145 ASN A CG 1 -ATOM 1160 O OD1 . ASN A 1 145 ? -6.394 -10.779 21.113 1.00 112.63 ? 145 ASN A OD1 1 -ATOM 1161 N ND2 . ASN A 1 145 ? -6.838 -12.049 19.307 1.00 106.46 ? 145 ASN A ND2 1 -ATOM 1162 N N . PHE A 1 146 ? -11.539 -10.339 22.517 1.00 92.10 ? 146 PHE A N 1 -ATOM 1163 C CA . PHE A 1 146 ? -12.778 -9.570 22.636 1.00 86.26 ? 146 PHE A CA 1 -ATOM 1164 C C . PHE A 1 146 ? -12.673 -8.545 23.762 1.00 82.72 ? 146 PHE A C 1 -ATOM 1165 O O . PHE A 1 146 ? -12.220 -8.872 24.861 1.00 81.23 ? 146 PHE A O 1 -ATOM 1166 C CB . PHE A 1 146 ? -13.983 -10.490 22.856 1.00 85.67 ? 146 PHE A CB 1 -ATOM 1167 C CG . PHE A 1 146 ? -15.284 -9.752 22.998 1.00 87.50 ? 146 PHE A CG 1 -ATOM 1168 C CD1 . PHE A 1 146 ? -16.006 -9.372 21.878 1.00 89.45 ? 146 PHE A CD1 1 -ATOM 1169 C CD2 . PHE A 1 146 ? -15.777 -9.420 24.251 1.00 89.19 ? 146 PHE A CD2 1 -ATOM 1170 C CE1 . PHE A 1 146 ? -17.202 -8.678 22.003 1.00 89.34 ? 146 PHE A CE1 1 -ATOM 1171 C CE2 . PHE A 1 146 ? -16.968 -8.727 24.383 1.00 89.89 ? 146 PHE A CE2 1 -ATOM 1172 C CZ . PHE A 1 146 ? -17.682 -8.355 23.254 1.00 89.94 ? 146 PHE A CZ 1 -ATOM 1173 N N . ARG A 1 147 ? -13.081 -7.310 23.475 1.00 78.53 ? 147 ARG A N 1 -ATOM 1174 C CA . ARG A 1 147 ? -13.111 -6.236 24.470 1.00 78.68 ? 147 ARG A CA 1 -ATOM 1175 C C . ARG A 1 147 ? -14.512 -5.664 24.634 1.00 76.56 ? 147 ARG A C 1 -ATOM 1176 O O . ARG A 1 147 ? -15.050 -5.058 23.703 1.00 76.20 ? 147 ARG A O 1 -ATOM 1177 C CB . ARG A 1 147 ? -12.158 -5.098 24.097 1.00 80.01 ? 147 ARG A CB 1 -ATOM 1178 C CG . ARG A 1 147 ? -10.936 -4.973 24.989 1.00 88.52 ? 147 ARG A CG 1 -ATOM 1179 C CD . ARG A 1 147 ? -10.447 -3.526 25.052 1.00 103.73 ? 147 ARG A CD 1 -ATOM 1180 N NE . ARG A 1 147 ? -9.577 -3.286 26.207 1.00 114.37 ? 147 ARG A NE 1 -ATOM 1181 C CZ . ARG A 1 147 ? -10.007 -3.025 27.443 1.00 117.29 ? 147 ARG A CZ 1 -ATOM 1182 N NH1 . ARG A 1 147 ? -11.308 -2.967 27.712 1.00 115.46 ? 147 ARG A NH1 1 -ATOM 1183 N NH2 . ARG A 1 147 ? -9.129 -2.823 28.418 1.00 117.71 ? 147 ARG A NH2 1 -ATOM 1184 N N . PHE A 1 148 ? -15.090 -5.839 25.822 1.00 72.70 ? 148 PHE A N 1 -ATOM 1185 C CA . PHE A 1 148 ? -16.435 -5.346 26.087 1.00 68.07 ? 148 PHE A CA 1 -ATOM 1186 C C . PHE A 1 148 ? -16.428 -3.831 26.176 1.00 65.37 ? 148 PHE A C 1 -ATOM 1187 O O . PHE A 1 148 ? -15.746 -3.267 27.018 1.00 66.56 ? 148 PHE A O 1 -ATOM 1188 C CB . PHE A 1 148 ? -17.014 -5.952 27.370 1.00 66.65 ? 148 PHE A CB 1 -ATOM 1189 C CG . PHE A 1 148 ? -18.460 -5.633 27.577 1.00 66.39 ? 148 PHE A CG 1 -ATOM 1190 C CD1 . PHE A 1 148 ? -19.448 -6.462 27.055 1.00 65.42 ? 148 PHE A CD1 1 -ATOM 1191 C CD2 . PHE A 1 148 ? -18.843 -4.482 28.267 1.00 67.77 ? 148 PHE A CD2 1 -ATOM 1192 C CE1 . PHE A 1 148 ? -20.804 -6.157 27.235 1.00 67.30 ? 148 PHE A CE1 1 -ATOM 1193 C CE2 . PHE A 1 148 ? -20.195 -4.164 28.445 1.00 63.33 ? 148 PHE A CE2 1 -ATOM 1194 C CZ . PHE A 1 148 ? -21.176 -5.005 27.929 1.00 61.15 ? 148 PHE A CZ 1 -ATOM 1195 N N . GLY A 1 149 ? -17.192 -3.176 25.309 1.00 63.77 ? 149 GLY A N 1 -ATOM 1196 C CA . GLY A 1 149 ? -17.214 -1.716 25.263 1.00 62.46 ? 149 GLY A CA 1 -ATOM 1197 C C . GLY A 1 149 ? -18.616 -1.141 25.194 1.00 64.52 ? 149 GLY A C 1 -ATOM 1198 O O . GLY A 1 149 ? -19.608 -1.884 25.183 1.00 65.22 ? 149 GLY A O 1 -ATOM 1199 N N . GLU A 1 150 ? -18.692 0.186 25.133 1.00 63.72 ? 150 GLU A N 1 -ATOM 1200 C CA . GLU A 1 150 ? -19.959 0.915 25.146 1.00 65.70 ? 150 GLU A CA 1 -ATOM 1201 C C . GLU A 1 150 ? -21.043 0.333 24.219 1.00 69.27 ? 150 GLU A C 1 -ATOM 1202 O O . GLU A 1 150 ? -22.202 0.200 24.616 1.00 72.57 ? 150 GLU A O 1 -ATOM 1203 C CB . GLU A 1 150 ? -19.712 2.395 24.838 1.00 62.77 ? 150 GLU A CB 1 -ATOM 1204 C CG . GLU A 1 150 ? -20.962 3.241 24.754 1.00 63.84 ? 150 GLU A CG 1 -ATOM 1205 C CD . GLU A 1 150 ? -20.662 4.722 24.701 1.00 68.61 ? 150 GLU A CD 1 -ATOM 1206 O OE1 . GLU A 1 150 ? -19.493 5.104 24.897 1.00 78.40 ? 150 GLU A OE1 1 -ATOM 1207 O OE2 . GLU A 1 150 ? -21.595 5.515 24.470 1.00 73.51 ? 150 GLU A OE2 1 -ATOM 1208 N N . ASN A 1 151 ? -20.671 -0.016 22.992 1.00 72.29 ? 151 ASN A N 1 -ATOM 1209 C CA . ASN A 1 151 ? -21.635 -0.550 22.037 1.00 71.38 ? 151 ASN A CA 1 -ATOM 1210 C C . ASN A 1 151 ? -22.295 -1.841 22.499 1.00 70.05 ? 151 ASN A C 1 -ATOM 1211 O O . ASN A 1 151 ? -23.497 -2.013 22.340 1.00 70.69 ? 151 ASN A O 1 -ATOM 1212 C CB . ASN A 1 151 ? -20.997 -0.729 20.661 1.00 72.26 ? 151 ASN A CB 1 -ATOM 1213 C CG . ASN A 1 151 ? -20.934 0.566 19.880 1.00 76.78 ? 151 ASN A CG 1 -ATOM 1214 O OD1 . ASN A 1 151 ? -21.311 1.630 20.377 1.00 77.59 ? 151 ASN A OD1 1 -ATOM 1215 N ND2 . ASN A 1 151 ? -20.458 0.483 18.645 1.00 84.13 ? 151 ASN A ND2 1 -ATOM 1216 N N . HIS A 1 152 ? -21.520 -2.749 23.075 1.00 69.16 ? 152 HIS A N 1 -ATOM 1217 C CA . HIS A 1 152 ? -22.098 -4.005 23.539 1.00 70.78 ? 152 HIS A CA 1 -ATOM 1218 C C . HIS A 1 152 ? -23.085 -3.731 24.662 1.00 71.26 ? 152 HIS A C 1 -ATOM 1219 O O . HIS A 1 152 ? -24.185 -4.285 24.685 1.00 72.59 ? 152 HIS A O 1 -ATOM 1220 C CB . HIS A 1 152 ? -21.015 -4.976 23.995 1.00 70.17 ? 152 HIS A CB 1 -ATOM 1221 C CG . HIS A 1 152 ? -19.961 -5.224 22.962 1.00 76.45 ? 152 HIS A CG 1 -ATOM 1222 N ND1 . HIS A 1 152 ? -18.632 -4.919 23.166 1.00 78.57 ? 152 HIS A ND1 1 -ATOM 1223 C CD2 . HIS A 1 152 ? -20.043 -5.732 21.710 1.00 71.40 ? 152 HIS A CD2 1 -ATOM 1224 C CE1 . HIS A 1 152 ? -17.940 -5.242 22.090 1.00 72.14 ? 152 HIS A CE1 1 -ATOM 1225 N NE2 . HIS A 1 152 ? -18.772 -5.736 21.192 1.00 71.22 ? 152 HIS A NE2 1 -ATOM 1226 N N . ALA A 1 153 ? -22.686 -2.851 25.577 1.00 70.85 ? 153 ALA A N 1 -ATOM 1227 C CA . ALA A 1 153 ? -23.519 -2.447 26.698 1.00 67.58 ? 153 ALA A CA 1 -ATOM 1228 C C . ALA A 1 153 ? -24.902 -2.018 26.224 1.00 66.05 ? 153 ALA A C 1 -ATOM 1229 O O . ALA A 1 153 ? -25.924 -2.434 26.784 1.00 65.43 ? 153 ALA A O 1 -ATOM 1230 C CB . ALA A 1 153 ? -22.849 -1.322 27.459 1.00 68.14 ? 153 ALA A CB 1 -ATOM 1231 N N . ILE A 1 154 ? -24.919 -1.184 25.186 1.00 63.14 ? 154 ILE A N 1 -ATOM 1232 C CA . ILE A 1 154 ? -26.158 -0.687 24.599 1.00 61.51 ? 154 ILE A CA 1 -ATOM 1233 C C . ILE A 1 154 ? -26.995 -1.823 23.981 1.00 62.10 ? 154 ILE A C 1 -ATOM 1234 O O . ILE A 1 154 ? -28.197 -1.926 24.231 1.00 60.06 ? 154 ILE A O 1 -ATOM 1235 C CB . ILE A 1 154 ? -25.876 0.446 23.587 1.00 60.47 ? 154 ILE A CB 1 -ATOM 1236 C CG1 . ILE A 1 154 ? -25.327 1.672 24.333 1.00 58.33 ? 154 ILE A CG1 1 -ATOM 1237 C CG2 . ILE A 1 154 ? -27.125 0.785 22.783 1.00 56.42 ? 154 ILE A CG2 1 -ATOM 1238 C CD1 . ILE A 1 154 ? -25.162 2.919 23.480 1.00 58.70 ? 154 ILE A CD1 1 -ATOM 1239 N N . MET A 1 155 ? -26.354 -2.685 23.200 1.00 61.77 ? 155 MET A N 1 -ATOM 1240 C CA . MET A 1 155 ? -27.042 -3.844 22.658 1.00 63.29 ? 155 MET A CA 1 -ATOM 1241 C C . MET A 1 155 ? -27.700 -4.640 23.762 1.00 60.43 ? 155 MET A C 1 -ATOM 1242 O O . MET A 1 155 ? -28.890 -4.948 23.671 1.00 61.94 ? 155 MET A O 1 -ATOM 1243 C CB . MET A 1 155 ? -26.100 -4.722 21.833 1.00 66.04 ? 155 MET A CB 1 -ATOM 1244 C CG . MET A 1 155 ? -26.095 -4.342 20.360 1.00 80.31 ? 155 MET A CG 1 -ATOM 1245 S SD . MET A 1 155 ? -24.523 -4.684 19.550 1.00 107.62 ? 155 MET A SD 1 -ATOM 1246 C CE . MET A 1 155 ? -24.846 -4.093 17.877 1.00 104.40 ? 155 MET A CE 1 -ATOM 1247 N N . GLY A 1 156 ? -26.933 -4.961 24.804 1.00 57.01 ? 156 GLY A N 1 -ATOM 1248 C CA . GLY A 1 156 ? -27.468 -5.639 25.989 1.00 54.16 ? 156 GLY A CA 1 -ATOM 1249 C C . GLY A 1 156 ? -28.705 -4.950 26.565 1.00 54.95 ? 156 GLY A C 1 -ATOM 1250 O O . GLY A 1 156 ? -29.697 -5.602 26.888 1.00 54.71 ? 156 GLY A O 1 -ATOM 1251 N N . VAL A 1 157 ? -28.666 -3.627 26.689 1.00 52.80 ? 157 VAL A N 1 -ATOM 1252 C CA . VAL A 1 157 ? -29.824 -2.917 27.205 1.00 53.71 ? 157 VAL A CA 1 -ATOM 1253 C C . VAL A 1 157 ? -30.990 -3.057 26.235 1.00 55.71 ? 157 VAL A C 1 -ATOM 1254 O O . VAL A 1 157 ? -32.079 -3.461 26.639 1.00 57.60 ? 157 VAL A O 1 -ATOM 1255 C CB . VAL A 1 157 ? -29.512 -1.429 27.537 1.00 54.77 ? 157 VAL A CB 1 -ATOM 1256 C CG1 . VAL A 1 157 ? -30.792 -0.641 27.819 1.00 46.63 ? 157 VAL A CG1 1 -ATOM 1257 C CG2 . VAL A 1 157 ? -28.572 -1.352 28.729 1.00 53.90 ? 157 VAL A CG2 1 -ATOM 1258 N N . ALA A 1 158 ? -30.751 -2.747 24.957 1.00 57.78 ? 158 ALA A N 1 -ATOM 1259 C CA . ALA A 1 158 ? -31.780 -2.864 23.907 1.00 56.54 ? 158 ALA A CA 1 -ATOM 1260 C C . ALA A 1 158 ? -32.393 -4.260 23.870 1.00 55.09 ? 158 ALA A C 1 -ATOM 1261 O O . ALA A 1 158 ? -33.613 -4.416 23.749 1.00 54.74 ? 158 ALA A O 1 -ATOM 1262 C CB . ALA A 1 158 ? -31.214 -2.499 22.542 1.00 55.43 ? 158 ALA A CB 1 -ATOM 1263 N N . PHE A 1 159 ? -31.541 -5.272 23.990 1.00 51.76 ? 159 PHE A N 1 -ATOM 1264 C CA . PHE A 1 159 ? -32.009 -6.646 24.038 1.00 51.42 ? 159 PHE A CA 1 -ATOM 1265 C C . PHE A 1 159 ? -33.075 -6.871 25.120 1.00 53.54 ? 159 PHE A C 1 -ATOM 1266 O O . PHE A 1 159 ? -34.026 -7.620 24.900 1.00 55.49 ? 159 PHE A O 1 -ATOM 1267 C CB . PHE A 1 159 ? -30.841 -7.597 24.246 1.00 47.14 ? 159 PHE A CB 1 -ATOM 1268 C CG . PHE A 1 159 ? -31.244 -9.030 24.326 1.00 46.12 ? 159 PHE A CG 1 -ATOM 1269 C CD1 . PHE A 1 159 ? -31.771 -9.677 23.217 1.00 43.81 ? 159 PHE A CD1 1 -ATOM 1270 C CD2 . PHE A 1 159 ? -31.093 -9.743 25.512 1.00 49.77 ? 159 PHE A CD2 1 -ATOM 1271 C CE1 . PHE A 1 159 ? -32.144 -11.025 23.286 1.00 51.81 ? 159 PHE A CE1 1 -ATOM 1272 C CE2 . PHE A 1 159 ? -31.461 -11.096 25.597 1.00 49.63 ? 159 PHE A CE2 1 -ATOM 1273 C CZ . PHE A 1 159 ? -31.986 -11.738 24.479 1.00 50.33 ? 159 PHE A CZ 1 -ATOM 1274 N N . THR A 1 160 ? -32.924 -6.231 26.280 1.00 54.25 ? 160 THR A N 1 -ATOM 1275 C CA . THR A 1 160 ? -33.876 -6.444 27.372 1.00 53.69 ? 160 THR A CA 1 -ATOM 1276 C C . THR A 1 160 ? -35.215 -5.799 27.050 1.00 54.30 ? 160 THR A C 1 -ATOM 1277 O O . THR A 1 160 ? -36.263 -6.392 27.295 1.00 54.30 ? 160 THR A O 1 -ATOM 1278 C CB . THR A 1 160 ? -33.364 -5.954 28.761 1.00 54.03 ? 160 THR A CB 1 -ATOM 1279 O OG1 . THR A 1 160 ? -33.213 -4.528 28.758 1.00 53.97 ? 160 THR A OG1 1 -ATOM 1280 C CG2 . THR A 1 160 ? -32.044 -6.627 29.138 1.00 48.44 ? 160 THR A CG2 1 -ATOM 1281 N N A TRP A 1 161 ? -35.187 -4.591 26.494 0.50 55.22 ? 161 TRP A N 1 -ATOM 1282 N N B TRP A 1 161 ? -35.167 -4.587 26.503 0.50 54.36 ? 161 TRP A N 1 -ATOM 1283 C CA A TRP A 1 161 ? -36.424 -3.894 26.141 0.50 56.87 ? 161 TRP A CA 1 -ATOM 1284 C CA B TRP A 1 161 ? -36.375 -3.879 26.102 0.50 55.33 ? 161 TRP A CA 1 -ATOM 1285 C C A TRP A 1 161 ? -37.213 -4.636 25.058 0.50 58.29 ? 161 TRP A C 1 -ATOM 1286 C C B TRP A 1 161 ? -37.182 -4.734 25.132 0.50 57.33 ? 161 TRP A C 1 -ATOM 1287 O O A TRP A 1 161 ? -38.445 -4.658 25.088 0.50 60.21 ? 161 TRP A O 1 -ATOM 1288 O O B TRP A 1 161 ? -38.385 -4.934 25.315 0.50 59.21 ? 161 TRP A O 1 -ATOM 1289 C CB A TRP A 1 161 ? -36.146 -2.448 25.720 0.50 56.77 ? 161 TRP A CB 1 -ATOM 1290 C CB B TRP A 1 161 ? -36.031 -2.538 25.446 0.50 54.03 ? 161 TRP A CB 1 -ATOM 1291 C CG A TRP A 1 161 ? -36.047 -1.480 26.882 0.50 58.96 ? 161 TRP A CG 1 -ATOM 1292 C CG B TRP A 1 161 ? -35.339 -1.562 26.358 0.50 53.67 ? 161 TRP A CG 1 -ATOM 1293 C CD1 A TRP A 1 161 ? -35.070 -1.444 27.841 0.50 54.87 ? 161 TRP A CD1 1 -ATOM 1294 C CD1 B TRP A 1 161 ? -35.027 -1.744 27.683 0.50 49.54 ? 161 TRP A CD1 1 -ATOM 1295 C CD2 A TRP A 1 161 ? -36.956 -0.410 27.197 0.50 59.34 ? 161 TRP A CD2 1 -ATOM 1296 C CD2 B TRP A 1 161 ? -34.907 -0.236 26.023 0.50 48.00 ? 161 TRP A CD2 1 -ATOM 1297 N NE1 A TRP A 1 161 ? -35.316 -0.424 28.726 0.50 55.11 ? 161 TRP A NE1 1 -ATOM 1298 N NE1 B TRP A 1 161 ? -34.410 -0.623 28.178 0.50 45.38 ? 161 TRP A NE1 1 -ATOM 1299 C CE2 A TRP A 1 161 ? -36.465 0.226 28.357 0.50 57.69 ? 161 TRP A CE2 1 -ATOM 1300 C CE2 B TRP A 1 161 ? -34.327 0.320 27.185 0.50 49.68 ? 161 TRP A CE2 1 -ATOM 1301 C CE3 A TRP A 1 161 ? -38.138 0.068 26.615 0.50 56.28 ? 161 TRP A CE3 1 -ATOM 1302 C CE3 B TRP A 1 161 ? -34.946 0.532 24.855 0.50 43.68 ? 161 TRP A CE3 1 -ATOM 1303 C CZ2 A TRP A 1 161 ? -37.113 1.319 28.945 0.50 55.50 ? 161 TRP A CZ2 1 -ATOM 1304 C CZ2 B TRP A 1 161 ? -33.787 1.612 27.209 0.50 48.26 ? 161 TRP A CZ2 1 -ATOM 1305 C CZ3 A TRP A 1 161 ? -38.778 1.153 27.201 0.50 53.54 ? 161 TRP A CZ3 1 -ATOM 1306 C CZ3 B TRP A 1 161 ? -34.413 1.814 24.880 0.50 44.60 ? 161 TRP A CZ3 1 -ATOM 1307 C CH2 A TRP A 1 161 ? -38.262 1.767 28.351 0.50 52.34 ? 161 TRP A CH2 1 -ATOM 1308 C CH2 B TRP A 1 161 ? -33.842 2.341 26.049 0.50 45.41 ? 161 TRP A CH2 1 -ATOM 1309 N N . VAL A 1 162 ? -36.500 -5.241 24.109 1.00 58.47 ? 162 VAL A N 1 -ATOM 1310 C CA . VAL A 1 162 ? -37.119 -6.049 23.061 1.00 56.02 ? 162 VAL A CA 1 -ATOM 1311 C C . VAL A 1 162 ? -37.724 -7.324 23.649 1.00 58.98 ? 162 VAL A C 1 -ATOM 1312 O O . VAL A 1 162 ? -38.881 -7.646 23.366 1.00 61.09 ? 162 VAL A O 1 -ATOM 1313 C CB . VAL A 1 162 ? -36.096 -6.365 21.926 1.00 57.00 ? 162 VAL A CB 1 -ATOM 1314 C CG1 . VAL A 1 162 ? -36.477 -7.620 21.132 1.00 48.66 ? 162 VAL A CG1 1 -ATOM 1315 C CG2 . VAL A 1 162 ? -35.927 -5.151 21.010 1.00 52.01 ? 162 VAL A CG2 1 -ATOM 1316 N N . MET A 1 163 ? -36.968 -8.042 24.477 1.00 57.90 ? 163 MET A N 1 -ATOM 1317 C CA . MET A 1 163 ? -37.525 -9.228 25.125 1.00 59.61 ? 163 MET A CA 1 -ATOM 1318 C C . MET A 1 163 ? -38.734 -8.886 25.999 1.00 60.73 ? 163 MET A C 1 -ATOM 1319 O O . MET A 1 163 ? -39.655 -9.694 26.135 1.00 63.76 ? 163 MET A O 1 -ATOM 1320 C CB . MET A 1 163 ? -36.486 -9.963 25.970 1.00 58.90 ? 163 MET A CB 1 -ATOM 1321 C CG . MET A 1 163 ? -35.405 -10.662 25.183 1.00 64.28 ? 163 MET A CG 1 -ATOM 1322 S SD . MET A 1 163 ? -36.018 -11.653 23.812 1.00 65.66 ? 163 MET A SD 1 -ATOM 1323 C CE . MET A 1 163 ? -36.823 -13.004 24.667 1.00 57.49 ? 163 MET A CE 1 -ATOM 1324 N N . ALA A 1 164 ? -38.736 -7.702 26.603 1.00 58.23 ? 164 ALA A N 1 -ATOM 1325 C CA . ALA A 1 164 ? -39.826 -7.350 27.502 1.00 59.34 ? 164 ALA A CA 1 -ATOM 1326 C C . ALA A 1 164 ? -41.099 -7.041 26.717 1.00 58.47 ? 164 ALA A C 1 -ATOM 1327 O O . ALA A 1 164 ? -42.174 -7.536 27.059 1.00 60.53 ? 164 ALA A O 1 -ATOM 1328 C CB . ALA A 1 164 ? -39.442 -6.194 28.421 1.00 59.39 ? 164 ALA A CB 1 -ATOM 1329 N N . LEU A 1 165 ? -40.984 -6.232 25.669 1.00 55.51 ? 165 LEU A N 1 -ATOM 1330 C CA . LEU A 1 165 ? -42.111 -6.028 24.756 1.00 54.80 ? 165 LEU A CA 1 -ATOM 1331 C C . LEU A 1 165 ? -42.590 -7.370 24.173 1.00 52.80 ? 165 LEU A C 1 -ATOM 1332 O O . LEU A 1 165 ? -43.787 -7.602 24.040 1.00 51.81 ? 165 LEU A O 1 -ATOM 1333 C CB . LEU A 1 165 ? -41.767 -5.016 23.650 1.00 54.58 ? 165 LEU A CB 1 -ATOM 1334 C CG . LEU A 1 165 ? -41.513 -3.581 24.149 1.00 59.85 ? 165 LEU A CG 1 -ATOM 1335 C CD1 . LEU A 1 165 ? -40.732 -2.746 23.137 1.00 58.37 ? 165 LEU A CD1 1 -ATOM 1336 C CD2 . LEU A 1 165 ? -42.807 -2.865 24.555 1.00 52.59 ? 165 LEU A CD2 1 -ATOM 1337 N N . ALA A 1 166 ? -41.658 -8.264 23.862 1.00 51.40 ? 166 ALA A N 1 -ATOM 1338 C CA . ALA A 1 166 ? -42.027 -9.587 23.373 1.00 54.30 ? 166 ALA A CA 1 -ATOM 1339 C C . ALA A 1 166 ? -42.984 -10.296 24.335 1.00 55.82 ? 166 ALA A C 1 -ATOM 1340 O O . ALA A 1 166 ? -43.582 -11.318 23.999 1.00 57.40 ? 166 ALA A O 1 -ATOM 1341 C CB . ALA A 1 166 ? -40.785 -10.435 23.130 1.00 51.49 ? 166 ALA A CB 1 -ATOM 1342 N N . CYS A 1 167 ? -43.117 -9.749 25.539 1.00 58.83 ? 167 CYS A N 1 -ATOM 1343 C CA . CYS A 1 167 ? -43.941 -10.358 26.573 1.00 58.64 ? 167 CYS A CA 1 -ATOM 1344 C C . CYS A 1 167 ? -45.135 -9.488 26.941 1.00 58.13 ? 167 CYS A C 1 -ATOM 1345 O O . CYS A 1 167 ? -46.271 -9.961 26.977 1.00 59.33 ? 167 CYS A O 1 -ATOM 1346 C CB . CYS A 1 167 ? -43.118 -10.640 27.820 1.00 57.71 ? 167 CYS A CB 1 -ATOM 1347 S SG . CYS A 1 167 ? -44.165 -10.940 29.251 1.00 64.82 ? 167 CYS A SG 1 -ATOM 1348 N N . ALA A 1 168 ? -44.874 -8.216 27.206 1.00 57.58 ? 168 ALA A N 1 -ATOM 1349 C CA . ALA A 1 168 ? -45.930 -7.279 27.576 1.00 60.27 ? 168 ALA A CA 1 -ATOM 1350 C C . ALA A 1 168 ? -46.860 -6.851 26.417 1.00 61.81 ? 168 ALA A C 1 -ATOM 1351 O O . ALA A 1 168 ? -48.046 -6.576 26.644 1.00 62.35 ? 168 ALA A O 1 -ATOM 1352 C CB . ALA A 1 168 ? -45.326 -6.054 28.263 1.00 59.77 ? 168 ALA A CB 1 -ATOM 1353 N N . ALA A 1 169 ? -46.335 -6.798 25.191 1.00 59.90 ? 169 ALA A N 1 -ATOM 1354 C CA . ALA A 1 169 ? -47.102 -6.264 24.055 1.00 59.87 ? 169 ALA A CA 1 -ATOM 1355 C C . ALA A 1 169 ? -48.170 -7.209 23.469 1.00 60.65 ? 169 ALA A C 1 -ATOM 1356 O O . ALA A 1 169 ? -49.293 -6.783 23.199 1.00 61.88 ? 169 ALA A O 1 -ATOM 1357 C CB . ALA A 1 169 ? -46.175 -5.743 22.965 1.00 56.71 ? 169 ALA A CB 1 -ATOM 1358 N N . PRO A 1 170 ? -47.834 -8.489 23.263 1.00 61.18 ? 170 PRO A N 1 -ATOM 1359 C CA . PRO A 1 170 ? -48.843 -9.408 22.728 1.00 63.67 ? 170 PRO A CA 1 -ATOM 1360 C C . PRO A 1 170 ? -50.238 -9.346 23.405 1.00 65.27 ? 170 PRO A C 1 -ATOM 1361 O O . PRO A 1 170 ? -51.244 -9.267 22.700 1.00 65.06 ? 170 PRO A O 1 -ATOM 1362 C CB . PRO A 1 170 ? -48.194 -10.782 22.925 1.00 64.01 ? 170 PRO A CB 1 -ATOM 1363 C CG . PRO A 1 170 ? -46.740 -10.505 22.810 1.00 62.15 ? 170 PRO A CG 1 -ATOM 1364 C CD . PRO A 1 170 ? -46.523 -9.143 23.418 1.00 61.13 ? 170 PRO A CD 1 -ATOM 1365 N N . PRO A 1 171 ? -50.303 -9.382 24.756 1.00 65.86 ? 171 PRO A N 1 -ATOM 1366 C CA . PRO A 1 171 ? -51.613 -9.377 25.426 1.00 64.62 ? 171 PRO A CA 1 -ATOM 1367 C C . PRO A 1 171 ? -52.417 -8.104 25.213 1.00 64.77 ? 171 PRO A C 1 -ATOM 1368 O O . PRO A 1 171 ? -53.585 -8.053 25.591 1.00 68.87 ? 171 PRO A O 1 -ATOM 1369 C CB . PRO A 1 171 ? -51.257 -9.513 26.911 1.00 61.45 ? 171 PRO A CB 1 -ATOM 1370 C CG . PRO A 1 171 ? -49.903 -10.105 26.923 1.00 66.75 ? 171 PRO A CG 1 -ATOM 1371 C CD . PRO A 1 171 ? -49.206 -9.520 25.729 1.00 65.98 ? 171 PRO A CD 1 -ATOM 1372 N N . LEU A 1 172 ? -51.801 -7.081 24.632 1.00 63.72 ? 172 LEU A N 1 -ATOM 1373 C CA . LEU A 1 172 ? -52.526 -5.859 24.320 1.00 64.09 ? 172 LEU A CA 1 -ATOM 1374 C C . LEU A 1 172 ? -53.225 -6.004 22.984 1.00 66.10 ? 172 LEU A C 1 -ATOM 1375 O O . LEU A 1 172 ? -54.078 -5.187 22.647 1.00 69.38 ? 172 LEU A O 1 -ATOM 1376 C CB . LEU A 1 172 ? -51.594 -4.641 24.252 1.00 62.81 ? 172 LEU A CB 1 -ATOM 1377 C CG . LEU A 1 172 ? -51.087 -3.956 25.523 1.00 58.03 ? 172 LEU A CG 1 -ATOM 1378 C CD1 . LEU A 1 172 ? -50.196 -2.796 25.130 1.00 54.43 ? 172 LEU A CD1 1 -ATOM 1379 C CD2 . LEU A 1 172 ? -52.224 -3.467 26.411 1.00 51.27 ? 172 LEU A CD2 1 -ATOM 1380 N N . VAL A 1 173 ? -52.859 -7.029 22.214 1.00 64.32 ? 173 VAL A N 1 -ATOM 1381 C CA . VAL A 1 173 ? -53.372 -7.148 20.850 1.00 61.29 ? 173 VAL A CA 1 -ATOM 1382 C C . VAL A 1 173 ? -53.764 -8.557 20.407 1.00 62.68 ? 173 VAL A C 1 -ATOM 1383 O O . VAL A 1 173 ? -53.624 -8.883 19.234 1.00 64.19 ? 173 VAL A O 1 -ATOM 1384 C CB . VAL A 1 173 ? -52.392 -6.539 19.796 1.00 61.92 ? 173 VAL A CB 1 -ATOM 1385 C CG1 . VAL A 1 173 ? -52.231 -5.019 20.008 1.00 58.87 ? 173 VAL A CG1 1 -ATOM 1386 C CG2 . VAL A 1 173 ? -51.033 -7.273 19.795 1.00 51.85 ? 173 VAL A CG2 1 -ATOM 1387 N N . GLY A 1 174 ? -54.250 -9.392 21.321 1.00 60.65 ? 174 GLY A N 1 -ATOM 1388 C CA . GLY A 1 174 ? -54.875 -10.641 20.906 1.00 58.70 ? 174 GLY A CA 1 -ATOM 1389 C C . GLY A 1 174 ? -54.278 -11.927 21.431 1.00 61.42 ? 174 GLY A C 1 -ATOM 1390 O O . GLY A 1 174 ? -54.983 -12.934 21.605 1.00 63.07 ? 174 GLY A O 1 -ATOM 1391 N N . TRP A 1 175 ? -52.974 -11.922 21.667 1.00 61.10 ? 175 TRP A N 1 -ATOM 1392 C CA . TRP A 1 175 ? -52.336 -13.108 22.223 1.00 59.11 ? 175 TRP A CA 1 -ATOM 1393 C C . TRP A 1 175 ? -52.273 -12.923 23.744 1.00 59.49 ? 175 TRP A C 1 -ATOM 1394 O O . TRP A 1 175 ? -51.614 -12.008 24.246 1.00 59.97 ? 175 TRP A O 1 -ATOM 1395 C CB . TRP A 1 175 ? -50.970 -13.352 21.567 1.00 56.54 ? 175 TRP A CB 1 -ATOM 1396 C CG . TRP A 1 175 ? -50.462 -14.728 21.777 1.00 52.92 ? 175 TRP A CG 1 -ATOM 1397 C CD1 . TRP A 1 175 ? -51.196 -15.835 22.132 1.00 56.05 ? 175 TRP A CD1 1 -ATOM 1398 C CD2 . TRP A 1 175 ? -49.111 -15.174 21.625 1.00 51.54 ? 175 TRP A CD2 1 -ATOM 1399 N NE1 . TRP A 1 175 ? -50.376 -16.937 22.225 1.00 59.04 ? 175 TRP A NE1 1 -ATOM 1400 C CE2 . TRP A 1 175 ? -49.091 -16.560 21.921 1.00 56.66 ? 175 TRP A CE2 1 -ATOM 1401 C CE3 . TRP A 1 175 ? -47.912 -14.538 21.278 1.00 50.60 ? 175 TRP A CE3 1 -ATOM 1402 C CZ2 . TRP A 1 175 ? -47.916 -17.317 21.879 1.00 54.36 ? 175 TRP A CZ2 1 -ATOM 1403 C CZ3 . TRP A 1 175 ? -46.741 -15.295 21.234 1.00 45.05 ? 175 TRP A CZ3 1 -ATOM 1404 C CH2 . TRP A 1 175 ? -46.756 -16.668 21.529 1.00 50.82 ? 175 TRP A CH2 1 -ATOM 1405 N N . SER A 1 176 ? -53.000 -13.779 24.457 1.00 58.89 ? 176 SER A N 1 -ATOM 1406 C CA . SER A 1 176 ? -53.393 -13.541 25.849 1.00 58.35 ? 176 SER A CA 1 -ATOM 1407 C C . SER A 1 176 ? -54.041 -12.171 26.078 1.00 58.35 ? 176 SER A C 1 -ATOM 1408 O O . SER A 1 176 ? -54.400 -11.448 25.129 1.00 59.27 ? 176 SER A O 1 -ATOM 1409 C CB . SER A 1 176 ? -52.231 -13.757 26.822 1.00 59.47 ? 176 SER A CB 1 -ATOM 1410 O OG . SER A 1 176 ? -52.720 -13.925 28.152 1.00 61.96 ? 176 SER A OG 1 -ATOM 1411 N N . ARG A 1 177 ? -54.194 -11.818 27.350 1.00 58.22 ? 177 ARG A N 1 -ATOM 1412 C CA . ARG A 1 177 ? -54.839 -10.557 27.737 1.00 57.14 ? 177 ARG A CA 1 -ATOM 1413 C C . ARG A 1 177 ? -54.453 -10.167 29.168 1.00 56.20 ? 177 ARG A C 1 -ATOM 1414 O O . ARG A 1 177 ? -53.993 -11.011 29.956 1.00 52.51 ? 177 ARG A O 1 -ATOM 1415 C CB . ARG A 1 177 ? -56.360 -10.698 27.636 1.00 53.24 ? 177 ARG A CB 1 -ATOM 1416 C CG . ARG A 1 177 ? -56.853 -11.989 28.260 1.00 52.59 ? 177 ARG A CG 1 -ATOM 1417 C CD . ARG A 1 177 ? -58.353 -12.043 28.404 1.00 58.75 ? 177 ARG A CD 1 -ATOM 1418 N NE . ARG A 1 177 ? -58.745 -13.091 29.345 1.00 52.83 ? 177 ARG A NE 1 -ATOM 1419 C CZ . ARG A 1 177 ? -59.982 -13.255 29.795 1.00 48.06 ? 177 ARG A CZ 1 -ATOM 1420 N NH1 . ARG A 1 177 ? -60.940 -12.437 29.382 1.00 56.37 ? 177 ARG A NH1 1 -ATOM 1421 N NH2 . ARG A 1 177 ? -60.259 -14.224 30.657 1.00 41.14 ? 177 ARG A NH2 1 -ATOM 1422 N N . TYR A 1 178 ? -54.642 -8.889 29.488 1.00 54.90 ? 178 TYR A N 1 -ATOM 1423 C CA . TYR A 1 178 ? -54.520 -8.417 30.861 1.00 54.75 ? 178 TYR A CA 1 -ATOM 1424 C C . TYR A 1 178 ? -55.875 -8.428 31.567 1.00 53.39 ? 178 TYR A C 1 -ATOM 1425 O O . TYR A 1 178 ? -56.880 -8.034 30.992 1.00 56.06 ? 178 TYR A O 1 -ATOM 1426 C CB . TYR A 1 178 ? -53.904 -7.009 30.902 1.00 56.16 ? 178 TYR A CB 1 -ATOM 1427 C CG . TYR A 1 178 ? -52.458 -6.972 30.465 1.00 53.53 ? 178 TYR A CG 1 -ATOM 1428 C CD1 . TYR A 1 178 ? -51.469 -7.601 31.216 1.00 53.11 ? 178 TYR A CD1 1 -ATOM 1429 C CD2 . TYR A 1 178 ? -52.083 -6.315 29.294 1.00 51.76 ? 178 TYR A CD2 1 -ATOM 1430 C CE1 . TYR A 1 178 ? -50.143 -7.579 30.809 1.00 61.77 ? 178 TYR A CE1 1 -ATOM 1431 C CE2 . TYR A 1 178 ? -50.767 -6.284 28.883 1.00 59.38 ? 178 TYR A CE2 1 -ATOM 1432 C CZ . TYR A 1 178 ? -49.798 -6.915 29.643 1.00 61.94 ? 178 TYR A CZ 1 -ATOM 1433 O OH . TYR A 1 178 ? -48.487 -6.888 29.228 1.00 59.82 ? 178 TYR A OH 1 -ATOM 1434 N N . ILE A 1 179 ? -55.904 -8.875 32.813 1.00 51.24 ? 179 ILE A N 1 -ATOM 1435 C CA . ILE A 1 179 ? -57.143 -8.868 33.591 1.00 52.91 ? 179 ILE A CA 1 -ATOM 1436 C C . ILE A 1 179 ? -56.810 -8.743 35.072 1.00 53.91 ? 179 ILE A C 1 -ATOM 1437 O O . ILE A 1 179 ? -55.749 -9.187 35.504 1.00 57.64 ? 179 ILE A O 1 -ATOM 1438 C CB . ILE A 1 179 ? -58.003 -10.158 33.345 1.00 52.14 ? 179 ILE A CB 1 -ATOM 1439 C CG1 . ILE A 1 179 ? -57.293 -11.405 33.870 1.00 47.35 ? 179 ILE A CG1 1 -ATOM 1440 C CG2 . ILE A 1 179 ? -58.333 -10.338 31.858 1.00 49.27 ? 179 ILE A CG2 1 -ATOM 1441 C CD1 . ILE A 1 179 ? -58.147 -12.639 33.900 1.00 38.74 ? 179 ILE A CD1 1 -ATOM 1442 N N . PRO A 1 180 ? -57.703 -8.141 35.863 1.00 53.81 ? 180 PRO A N 1 -ATOM 1443 C CA . PRO A 1 180 ? -57.425 -8.051 37.301 1.00 53.47 ? 180 PRO A CA 1 -ATOM 1444 C C . PRO A 1 180 ? -56.979 -9.391 37.887 1.00 52.16 ? 180 PRO A C 1 -ATOM 1445 O O . PRO A 1 180 ? -57.512 -10.428 37.513 1.00 54.79 ? 180 PRO A O 1 -ATOM 1446 C CB . PRO A 1 180 ? -58.773 -7.637 37.884 1.00 51.58 ? 180 PRO A CB 1 -ATOM 1447 C CG . PRO A 1 180 ? -59.391 -6.817 36.797 1.00 54.23 ? 180 PRO A CG 1 -ATOM 1448 C CD . PRO A 1 180 ? -58.942 -7.440 35.491 1.00 55.09 ? 180 PRO A CD 1 -ATOM 1449 N N . GLU A 1 181 ? -55.995 -9.384 38.780 1.00 52.88 ? 181 GLU A N 1 -ATOM 1450 C CA . GLU A 1 181 ? -55.577 -10.643 39.399 1.00 55.03 ? 181 GLU A CA 1 -ATOM 1451 C C . GLU A 1 181 ? -55.786 -10.696 40.909 1.00 51.75 ? 181 GLU A C 1 -ATOM 1452 O O . GLU A 1 181 ? -56.203 -9.718 41.525 1.00 51.82 ? 181 GLU A O 1 -ATOM 1453 C CB . GLU A 1 181 ? -54.142 -11.044 39.001 1.00 55.66 ? 181 GLU A CB 1 -ATOM 1454 C CG . GLU A 1 181 ? -53.037 -10.118 39.465 1.00 63.27 ? 181 GLU A CG 1 -ATOM 1455 C CD . GLU A 1 181 ? -51.649 -10.667 39.146 1.00 75.69 ? 181 GLU A CD 1 -ATOM 1456 O OE1 . GLU A 1 181 ? -51.357 -11.832 39.496 1.00 79.15 ? 181 GLU A OE1 1 -ATOM 1457 O OE2 . GLU A 1 181 ? -50.843 -9.925 38.547 1.00 86.00 ? 181 GLU A OE2 1 -ATOM 1458 N N . GLY A 1 182 ? -55.516 -11.852 41.496 1.00 49.75 ? 182 GLY A N 1 -ATOM 1459 C CA . GLY A 1 182 ? -55.628 -12.003 42.939 1.00 51.23 ? 182 GLY A CA 1 -ATOM 1460 C C . GLY A 1 182 ? -56.865 -11.315 43.469 1.00 52.32 ? 182 GLY A C 1 -ATOM 1461 O O . GLY A 1 182 ? -57.977 -11.723 43.164 1.00 52.54 ? 182 GLY A O 1 -ATOM 1462 N N . MET A 1 183 ? -56.675 -10.252 44.248 1.00 54.38 ? 183 MET A N 1 -ATOM 1463 C CA . MET A 1 183 ? -57.807 -9.546 44.841 1.00 51.30 ? 183 MET A CA 1 -ATOM 1464 C C . MET A 1 183 ? -58.384 -8.483 43.921 1.00 51.29 ? 183 MET A C 1 -ATOM 1465 O O . MET A 1 183 ? -59.110 -7.600 44.369 1.00 50.62 ? 183 MET A O 1 -ATOM 1466 C CB . MET A 1 183 ? -57.408 -8.928 46.162 1.00 51.70 ? 183 MET A CB 1 -ATOM 1467 C CG . MET A 1 183 ? -56.673 -9.882 47.063 1.00 54.86 ? 183 MET A CG 1 -ATOM 1468 S SD . MET A 1 183 ? -56.078 -9.028 48.525 1.00 57.81 ? 183 MET A SD 1 -ATOM 1469 C CE . MET A 1 183 ? -54.732 -10.116 48.964 1.00 66.41 ? 183 MET A CE 1 -ATOM 1470 N N . GLN A 1 184 ? -58.048 -8.570 42.636 1.00 50.71 ? 184 GLN A N 1 -ATOM 1471 C CA . GLN A 1 184 ? -58.706 -7.783 41.601 1.00 51.18 ? 184 GLN A CA 1 -ATOM 1472 C C . GLN A 1 184 ? -58.340 -6.307 41.634 1.00 53.27 ? 184 GLN A C 1 -ATOM 1473 O O . GLN A 1 184 ? -58.996 -5.485 40.986 1.00 53.91 ? 184 GLN A O 1 -ATOM 1474 C CB . GLN A 1 184 ? -60.232 -7.951 41.687 1.00 54.62 ? 184 GLN A CB 1 -ATOM 1475 C CG . GLN A 1 184 ? -60.745 -9.409 41.592 1.00 52.54 ? 184 GLN A CG 1 -ATOM 1476 C CD . GLN A 1 184 ? -60.154 -10.166 40.412 1.00 53.78 ? 184 GLN A CD 1 -ATOM 1477 O OE1 . GLN A 1 184 ? -59.231 -10.957 40.584 1.00 59.01 ? 184 GLN A OE1 1 -ATOM 1478 N NE2 . GLN A 1 184 ? -60.668 -9.909 39.205 1.00 47.83 ? 184 GLN A NE2 1 -ATOM 1479 N N . CYS A 1 185 ? -57.286 -5.967 42.371 1.00 54.51 ? 185 CYS A N 1 -ATOM 1480 C CA . CYS A 1 185 ? -56.888 -4.572 42.533 1.00 53.36 ? 185 CYS A CA 1 -ATOM 1481 C C . CYS A 1 185 ? -55.723 -4.192 41.653 1.00 55.08 ? 185 CYS A C 1 -ATOM 1482 O O . CYS A 1 185 ? -55.388 -3.013 41.538 1.00 57.92 ? 185 CYS A O 1 -ATOM 1483 C CB . CYS A 1 185 ? -56.547 -4.281 43.979 1.00 53.24 ? 185 CYS A CB 1 -ATOM 1484 S SG . CYS A 1 185 ? -58.001 -4.199 44.990 1.00 57.10 ? 185 CYS A SG 1 -ATOM 1485 N N . SER A 1 186 ? -55.101 -5.190 41.035 1.00 55.14 ? 186 SER A N 1 -ATOM 1486 C CA . SER A 1 186 ? -54.059 -4.945 40.044 1.00 55.02 ? 186 SER A CA 1 -ATOM 1487 C C . SER A 1 186 ? -54.233 -5.911 38.891 1.00 54.32 ? 186 SER A C 1 -ATOM 1488 O O . SER A 1 186 ? -54.799 -6.986 39.056 1.00 54.66 ? 186 SER A O 1 -ATOM 1489 C CB . SER A 1 186 ? -52.672 -5.108 40.663 1.00 54.55 ? 186 SER A CB 1 -ATOM 1490 O OG . SER A 1 186 ? -52.555 -6.373 41.281 1.00 50.29 ? 186 SER A OG 1 -ATOM 1491 N N . CYS A 1 187 ? -53.727 -5.531 37.729 1.00 54.54 ? 187 CYS A N 1 -ATOM 1492 C CA . CYS A 1 187 ? -53.904 -6.328 36.526 1.00 56.74 ? 187 CYS A CA 1 -ATOM 1493 C C . CYS A 1 187 ? -52.615 -6.994 36.044 1.00 57.52 ? 187 CYS A C 1 -ATOM 1494 O O . CYS A 1 187 ? -51.594 -6.338 35.878 1.00 62.15 ? 187 CYS A O 1 -ATOM 1495 C CB . CYS A 1 187 ? -54.447 -5.438 35.421 1.00 56.94 ? 187 CYS A CB 1 -ATOM 1496 S SG . CYS A 1 187 ? -56.132 -4.887 35.677 1.00 60.71 ? 187 CYS A SG 1 -ATOM 1497 N N . GLY A 1 188 ? -52.669 -8.294 35.797 1.00 57.46 ? 188 GLY A N 1 -ATOM 1498 C CA . GLY A 1 188 ? -51.520 -9.016 35.265 1.00 60.03 ? 188 GLY A CA 1 -ATOM 1499 C C . GLY A 1 188 ? -51.838 -9.726 33.963 1.00 60.51 ? 188 GLY A C 1 -ATOM 1500 O O . GLY A 1 188 ? -52.844 -9.450 33.339 1.00 61.53 ? 188 GLY A O 1 -ATOM 1501 N N . ILE A 1 189 ? -50.964 -10.635 33.551 1.00 63.07 ? 189 ILE A N 1 -ATOM 1502 C CA . ILE A 1 189 ? -51.194 -11.462 32.373 1.00 63.61 ? 189 ILE A CA 1 -ATOM 1503 C C . ILE A 1 189 ? -52.112 -12.603 32.765 1.00 66.21 ? 189 ILE A C 1 -ATOM 1504 O O . ILE A 1 189 ? -51.926 -13.205 33.825 1.00 65.33 ? 189 ILE A O 1 -ATOM 1505 C CB . ILE A 1 189 ? -49.883 -12.099 31.868 1.00 63.29 ? 189 ILE A CB 1 -ATOM 1506 C CG1 . ILE A 1 189 ? -49.172 -11.192 30.870 1.00 61.69 ? 189 ILE A CG1 1 -ATOM 1507 C CG2 . ILE A 1 189 ? -50.147 -13.439 31.222 1.00 59.96 ? 189 ILE A CG2 1 -ATOM 1508 C CD1 . ILE A 1 189 ? -47.742 -11.626 30.628 1.00 60.45 ? 189 ILE A CD1 1 -ATOM 1509 N N . ASP A 1 190 ? -53.091 -12.898 31.907 1.00 68.44 ? 190 ASP A N 1 -ATOM 1510 C CA . ASP A 1 190 ? -53.985 -14.034 32.115 1.00 67.18 ? 190 ASP A CA 1 -ATOM 1511 C C . ASP A 1 190 ? -53.297 -15.335 31.699 1.00 68.61 ? 190 ASP A C 1 -ATOM 1512 O O . ASP A 1 190 ? -53.086 -15.598 30.506 1.00 71.04 ? 190 ASP A O 1 -ATOM 1513 C CB . ASP A 1 190 ? -55.298 -13.855 31.353 1.00 65.11 ? 190 ASP A CB 1 -ATOM 1514 C CG . ASP A 1 190 ? -56.259 -15.005 31.587 1.00 63.79 ? 190 ASP A CG 1 -ATOM 1515 O OD1 . ASP A 1 190 ? -55.887 -15.933 32.354 1.00 54.47 ? 190 ASP A OD1 1 -ATOM 1516 O OD2 . ASP A 1 190 ? -57.373 -14.983 31.007 1.00 57.93 ? 190 ASP A OD2 1 -ATOM 1517 N N . TYR A 1 191 ? -52.951 -16.138 32.696 1.00 67.19 ? 191 TYR A N 1 -ATOM 1518 C CA . TYR A 1 191 ? -52.178 -17.352 32.487 1.00 65.98 ? 191 TYR A CA 1 -ATOM 1519 C C . TYR A 1 191 ? -52.846 -18.508 33.215 1.00 68.21 ? 191 TYR A C 1 -ATOM 1520 O O . TYR A 1 191 ? -52.277 -19.590 33.310 1.00 70.04 ? 191 TYR A O 1 -ATOM 1521 C CB . TYR A 1 191 ? -50.738 -17.171 33.015 1.00 64.02 ? 191 TYR A CB 1 -ATOM 1522 C CG . TYR A 1 191 ? -50.648 -17.002 34.522 1.00 56.10 ? 191 TYR A CG 1 -ATOM 1523 C CD1 . TYR A 1 191 ? -50.578 -18.105 35.365 1.00 52.84 ? 191 TYR A CD1 1 -ATOM 1524 C CD2 . TYR A 1 191 ? -50.666 -15.741 35.099 1.00 52.94 ? 191 TYR A CD2 1 -ATOM 1525 C CE1 . TYR A 1 191 ? -50.514 -17.956 36.748 1.00 55.50 ? 191 TYR A CE1 1 -ATOM 1526 C CE2 . TYR A 1 191 ? -50.603 -15.576 36.474 1.00 51.91 ? 191 TYR A CE2 1 -ATOM 1527 C CZ . TYR A 1 191 ? -50.525 -16.684 37.294 1.00 57.12 ? 191 TYR A CZ 1 -ATOM 1528 O OH . TYR A 1 191 ? -50.462 -16.520 38.661 1.00 61.54 ? 191 TYR A OH 1 -ATOM 1529 N N . TYR A 1 192 ? -54.046 -18.274 33.739 1.00 69.45 ? 192 TYR A N 1 -ATOM 1530 C CA . TYR A 1 192 ? -54.719 -19.255 34.588 1.00 72.96 ? 192 TYR A CA 1 -ATOM 1531 C C . TYR A 1 192 ? -56.134 -19.534 34.085 1.00 74.99 ? 192 TYR A C 1 -ATOM 1532 O O . TYR A 1 192 ? -56.825 -20.437 34.564 1.00 76.96 ? 192 TYR A O 1 -ATOM 1533 C CB . TYR A 1 192 ? -54.749 -18.771 36.049 1.00 72.83 ? 192 TYR A CB 1 -ATOM 1534 C CG . TYR A 1 192 ? -55.075 -17.295 36.209 1.00 75.91 ? 192 TYR A CG 1 -ATOM 1535 C CD1 . TYR A 1 192 ? -54.061 -16.337 36.191 1.00 71.88 ? 192 TYR A CD1 1 -ATOM 1536 C CD2 . TYR A 1 192 ? -56.393 -16.858 36.368 1.00 72.97 ? 192 TYR A CD2 1 -ATOM 1537 C CE1 . TYR A 1 192 ? -54.341 -14.992 36.330 1.00 72.88 ? 192 TYR A CE1 1 -ATOM 1538 C CE2 . TYR A 1 192 ? -56.685 -15.503 36.505 1.00 78.84 ? 192 TYR A CE2 1 -ATOM 1539 C CZ . TYR A 1 192 ? -55.650 -14.574 36.489 1.00 81.34 ? 192 TYR A CZ 1 -ATOM 1540 O OH . TYR A 1 192 ? -55.908 -13.222 36.628 1.00 83.74 ? 192 TYR A OH 1 -ATOM 1541 N N . THR A 1 193 ? -56.556 -18.742 33.115 1.00 76.66 ? 193 THR A N 1 -ATOM 1542 C CA . THR A 1 193 ? -57.884 -18.857 32.548 1.00 78.67 ? 193 THR A CA 1 -ATOM 1543 C C . THR A 1 193 ? -57.780 -19.388 31.125 1.00 81.75 ? 193 THR A C 1 -ATOM 1544 O O . THR A 1 193 ? -57.107 -18.786 30.275 1.00 82.39 ? 193 THR A O 1 -ATOM 1545 C CB . THR A 1 193 ? -58.609 -17.488 32.584 1.00 78.55 ? 193 THR A CB 1 -ATOM 1546 O OG1 . THR A 1 193 ? -59.428 -17.426 33.756 1.00 80.94 ? 193 THR A OG1 1 -ATOM 1547 C CG2 . THR A 1 193 ? -59.464 -17.263 31.350 1.00 70.87 ? 193 THR A CG2 1 -ATOM 1548 N N . PRO A 1 194 ? -58.434 -20.534 30.863 1.00 83.77 ? 194 PRO A N 1 -ATOM 1549 C CA . PRO A 1 194 ? -58.458 -21.113 29.514 1.00 82.64 ? 194 PRO A CA 1 -ATOM 1550 C C . PRO A 1 194 ? -59.361 -20.258 28.641 1.00 81.33 ? 194 PRO A C 1 -ATOM 1551 O O . PRO A 1 194 ? -60.579 -20.421 28.677 1.00 84.55 ? 194 PRO A O 1 -ATOM 1552 C CB . PRO A 1 194 ? -59.091 -22.480 29.743 1.00 83.28 ? 194 PRO A CB 1 -ATOM 1553 C CG . PRO A 1 194 ? -60.011 -22.260 30.933 1.00 83.34 ? 194 PRO A CG 1 -ATOM 1554 C CD . PRO A 1 194 ? -59.312 -21.258 31.806 1.00 82.77 ? 194 PRO A CD 1 -ATOM 1555 N N . HIS A 1 195 ? -58.776 -19.325 27.902 1.00 77.19 ? 195 HIS A N 1 -ATOM 1556 C CA . HIS A 1 195 ? -59.563 -18.355 27.164 1.00 76.53 ? 195 HIS A CA 1 -ATOM 1557 C C . HIS A 1 195 ? -59.139 -18.384 25.704 1.00 78.20 ? 195 HIS A C 1 -ATOM 1558 O O . HIS A 1 195 ? -58.227 -17.663 25.288 1.00 76.69 ? 195 HIS A O 1 -ATOM 1559 C CB . HIS A 1 195 ? -59.411 -16.961 27.778 1.00 75.53 ? 195 HIS A CB 1 -ATOM 1560 C CG . HIS A 1 195 ? -60.293 -15.915 27.162 1.00 78.07 ? 195 HIS A CG 1 -ATOM 1561 N ND1 . HIS A 1 195 ? -59.842 -15.027 26.205 1.00 79.55 ? 195 HIS A ND1 1 -ATOM 1562 C CD2 . HIS A 1 195 ? -61.591 -15.599 27.383 1.00 76.63 ? 195 HIS A CD2 1 -ATOM 1563 C CE1 . HIS A 1 195 ? -60.827 -14.217 25.856 1.00 72.01 ? 195 HIS A CE1 1 -ATOM 1564 N NE2 . HIS A 1 195 ? -61.900 -14.545 26.555 1.00 75.41 ? 195 HIS A NE2 1 -ATOM 1565 N N . GLU A 1 196 ? -59.830 -19.228 24.937 1.00 80.65 ? 196 GLU A N 1 -ATOM 1566 C CA . GLU A 1 196 ? -59.454 -19.570 23.563 1.00 81.96 ? 196 GLU A CA 1 -ATOM 1567 C C . GLU A 1 196 ? -59.385 -18.386 22.600 1.00 80.96 ? 196 GLU A C 1 -ATOM 1568 O O . GLU A 1 196 ? -58.483 -18.325 21.769 1.00 82.94 ? 196 GLU A O 1 -ATOM 1569 C CB . GLU A 1 196 ? -60.387 -20.654 23.000 1.00 83.87 ? 196 GLU A CB 1 -ATOM 1570 C CG . GLU A 1 196 ? -60.180 -22.055 23.593 1.00 91.60 ? 196 GLU A CG 1 -ATOM 1571 C CD . GLU A 1 196 ? -60.802 -22.230 24.980 1.00 102.50 ? 196 GLU A CD 1 -ATOM 1572 O OE1 . GLU A 1 196 ? -61.458 -21.286 25.483 1.00 106.87 ? 196 GLU A OE1 1 -ATOM 1573 O OE2 . GLU A 1 196 ? -60.636 -23.321 25.570 1.00 104.91 ? 196 GLU A OE2 1 -ATOM 1574 N N . GLU A 1 197 ? -60.322 -17.449 22.705 1.00 79.04 ? 197 GLU A N 1 -ATOM 1575 C CA . GLU A 1 197 ? -60.378 -16.335 21.757 1.00 79.45 ? 197 GLU A CA 1 -ATOM 1576 C C . GLU A 1 197 ? -59.067 -15.552 21.703 1.00 77.81 ? 197 GLU A C 1 -ATOM 1577 O O . GLU A 1 197 ? -58.844 -14.786 20.768 1.00 78.26 ? 197 GLU A O 1 -ATOM 1578 C CB . GLU A 1 197 ? -61.554 -15.392 22.057 1.00 80.01 ? 197 GLU A CB 1 -ATOM 1579 C CG . GLU A 1 197 ? -62.911 -16.083 22.210 1.00 87.75 ? 197 GLU A CG 1 -ATOM 1580 C CD . GLU A 1 197 ? -63.186 -16.560 23.644 1.00 101.09 ? 197 GLU A CD 1 -ATOM 1581 O OE1 . GLU A 1 197 ? -62.392 -17.368 24.190 1.00 99.25 ? 197 GLU A OE1 1 -ATOM 1582 O OE2 . GLU A 1 197 ? -64.209 -16.128 24.228 1.00 105.01 ? 197 GLU A OE2 1 -ATOM 1583 N N . THR A 1 198 ? -58.207 -15.748 22.704 1.00 77.48 ? 198 THR A N 1 -ATOM 1584 C CA . THR A 1 198 ? -56.920 -15.031 22.796 1.00 74.24 ? 198 THR A CA 1 -ATOM 1585 C C . THR A 1 198 ? -55.707 -15.964 22.839 1.00 74.54 ? 198 THR A C 1 -ATOM 1586 O O . THR A 1 198 ? -54.566 -15.501 22.773 1.00 75.25 ? 198 THR A O 1 -ATOM 1587 C CB . THR A 1 198 ? -56.866 -14.060 24.012 1.00 73.06 ? 198 THR A CB 1 -ATOM 1588 O OG1 . THR A 1 198 ? -57.508 -14.659 25.146 1.00 71.09 ? 198 THR A OG1 1 -ATOM 1589 C CG2 . THR A 1 198 ? -57.548 -12.745 23.683 1.00 61.95 ? 198 THR A CG2 1 -ATOM 1590 N N . ASN A 1 199 ? -55.965 -17.268 22.958 1.00 73.19 ? 199 ASN A N 1 -ATOM 1591 C CA . ASN A 1 199 ? -54.928 -18.299 22.886 1.00 73.22 ? 199 ASN A CA 1 -ATOM 1592 C C . ASN A 1 199 ? -54.024 -18.353 24.096 1.00 74.54 ? 199 ASN A C 1 -ATOM 1593 O O . ASN A 1 199 ? -52.810 -18.533 23.973 1.00 74.10 ? 199 ASN A O 1 -ATOM 1594 C CB . ASN A 1 199 ? -54.074 -18.114 21.640 1.00 74.78 ? 199 ASN A CB 1 -ATOM 1595 C CG . ASN A 1 199 ? -54.824 -18.432 20.385 1.00 71.28 ? 199 ASN A CG 1 -ATOM 1596 O OD1 . ASN A 1 199 ? -55.070 -17.555 19.558 1.00 66.11 ? 199 ASN A OD1 1 -ATOM 1597 N ND2 . ASN A 1 199 ? -55.218 -19.689 20.242 1.00 72.19 ? 199 ASN A ND2 1 -ATOM 1598 N N . ASN A 1 200 ? -54.628 -18.211 25.266 1.00 75.44 ? 200 ASN A N 1 -ATOM 1599 C CA . ASN A 1 200 ? -53.885 -18.195 26.511 1.00 74.11 ? 200 ASN A CA 1 -ATOM 1600 C C . ASN A 1 200 ? -52.933 -19.369 26.663 1.00 74.72 ? 200 ASN A C 1 -ATOM 1601 O O . ASN A 1 200 ? -51.797 -19.194 27.091 1.00 78.50 ? 200 ASN A O 1 -ATOM 1602 C CB . ASN A 1 200 ? -54.839 -18.090 27.698 1.00 72.03 ? 200 ASN A CB 1 -ATOM 1603 C CG . ASN A 1 200 ? -55.534 -16.741 27.757 1.00 69.28 ? 200 ASN A CG 1 -ATOM 1604 O OD1 . ASN A 1 200 ? -55.439 -15.930 26.821 1.00 60.07 ? 200 ASN A OD1 1 -ATOM 1605 N ND2 . ASN A 1 200 ? -56.236 -16.489 28.855 1.00 62.72 ? 200 ASN A ND2 1 -ATOM 1606 N N . GLU A 1 201 ? -53.382 -20.558 26.289 1.00 75.18 ? 201 GLU A N 1 -ATOM 1607 C CA . GLU A 1 201 ? -52.568 -21.753 26.468 1.00 76.46 ? 201 GLU A CA 1 -ATOM 1608 C C . GLU A 1 201 ? -51.197 -21.670 25.771 1.00 76.06 ? 201 GLU A C 1 -ATOM 1609 O O . GLU A 1 201 ? -50.161 -21.913 26.399 1.00 76.95 ? 201 GLU A O 1 -ATOM 1610 C CB . GLU A 1 201 ? -53.340 -22.997 26.035 1.00 76.17 ? 201 GLU A CB 1 -ATOM 1611 C CG . GLU A 1 201 ? -52.476 -24.223 25.902 1.00 82.03 ? 201 GLU A CG 1 -ATOM 1612 C CD . GLU A 1 201 ? -53.202 -25.483 26.281 1.00 89.71 ? 201 GLU A CD 1 -ATOM 1613 O OE1 . GLU A 1 201 ? -53.826 -25.507 27.366 1.00 93.63 ? 201 GLU A OE1 1 -ATOM 1614 O OE2 . GLU A 1 201 ? -53.132 -26.451 25.497 1.00 92.94 ? 201 GLU A OE2 1 -ATOM 1615 N N . SER A 1 202 ? -51.186 -21.320 24.487 1.00 73.58 ? 202 SER A N 1 -ATOM 1616 C CA . SER A 1 202 ? -49.925 -21.220 23.759 1.00 71.38 ? 202 SER A CA 1 -ATOM 1617 C C . SER A 1 202 ? -49.028 -20.113 24.340 1.00 72.28 ? 202 SER A C 1 -ATOM 1618 O O . SER A 1 202 ? -47.804 -20.274 24.419 1.00 74.31 ? 202 SER A O 1 -ATOM 1619 C CB . SER A 1 202 ? -50.164 -21.011 22.263 1.00 68.25 ? 202 SER A CB 1 -ATOM 1620 O OG . SER A 1 202 ? -50.648 -19.710 22.000 1.00 68.79 ? 202 SER A OG 1 -ATOM 1621 N N . PHE A 1 203 ? -49.640 -19.004 24.759 1.00 69.94 ? 203 PHE A N 1 -ATOM 1622 C CA . PHE A 1 203 ? -48.910 -17.905 25.403 1.00 65.44 ? 203 PHE A CA 1 -ATOM 1623 C C . PHE A 1 203 ? -48.244 -18.355 26.714 1.00 62.33 ? 203 PHE A C 1 -ATOM 1624 O O . PHE A 1 203 ? -47.088 -18.045 26.966 1.00 58.65 ? 203 PHE A O 1 -ATOM 1625 C CB . PHE A 1 203 ? -49.834 -16.712 25.640 1.00 62.39 ? 203 PHE A CB 1 -ATOM 1626 C CG . PHE A 1 203 ? -49.117 -15.453 26.026 1.00 64.95 ? 203 PHE A CG 1 -ATOM 1627 C CD1 . PHE A 1 203 ? -48.669 -14.569 25.053 1.00 64.64 ? 203 PHE A CD1 1 -ATOM 1628 C CD2 . PHE A 1 203 ? -48.899 -15.142 27.371 1.00 65.21 ? 203 PHE A CD2 1 -ATOM 1629 C CE1 . PHE A 1 203 ? -48.010 -13.391 25.412 1.00 67.80 ? 203 PHE A CE1 1 -ATOM 1630 C CE2 . PHE A 1 203 ? -48.247 -13.970 27.745 1.00 54.27 ? 203 PHE A CE2 1 -ATOM 1631 C CZ . PHE A 1 203 ? -47.800 -13.091 26.767 1.00 66.10 ? 203 PHE A CZ 1 -ATOM 1632 N N . VAL A 1 204 ? -48.966 -19.107 27.532 1.00 61.83 ? 204 VAL A N 1 -ATOM 1633 C CA . VAL A 1 204 ? -48.409 -19.579 28.793 1.00 64.25 ? 204 VAL A CA 1 -ATOM 1634 C C . VAL A 1 204 ? -47.188 -20.468 28.542 1.00 65.46 ? 204 VAL A C 1 -ATOM 1635 O O . VAL A 1 204 ? -46.196 -20.402 29.273 1.00 65.62 ? 204 VAL A O 1 -ATOM 1636 C CB . VAL A 1 204 ? -49.461 -20.329 29.652 1.00 63.47 ? 204 VAL A CB 1 -ATOM 1637 C CG1 . VAL A 1 204 ? -48.886 -20.689 31.019 1.00 61.51 ? 204 VAL A CG1 1 -ATOM 1638 C CG2 . VAL A 1 204 ? -50.703 -19.475 29.820 1.00 66.96 ? 204 VAL A CG2 1 -ATOM 1639 N N . ILE A 1 205 ? -47.265 -21.299 27.507 1.00 66.05 ? 205 ILE A N 1 -ATOM 1640 C CA . ILE A 1 205 ? -46.150 -22.165 27.154 1.00 66.12 ? 205 ILE A CA 1 -ATOM 1641 C C . ILE A 1 205 ? -44.975 -21.292 26.709 1.00 63.01 ? 205 ILE A C 1 -ATOM 1642 O O . ILE A 1 205 ? -43.852 -21.451 27.194 1.00 61.77 ? 205 ILE A O 1 -ATOM 1643 C CB . ILE A 1 205 ? -46.554 -23.202 26.071 1.00 69.33 ? 205 ILE A CB 1 -ATOM 1644 C CG1 . ILE A 1 205 ? -47.351 -24.349 26.705 1.00 73.62 ? 205 ILE A CG1 1 -ATOM 1645 C CG2 . ILE A 1 205 ? -45.327 -23.769 25.351 1.00 70.80 ? 205 ILE A CG2 1 -ATOM 1646 C CD1 . ILE A 1 205 ? -48.334 -25.024 25.745 1.00 75.60 ? 205 ILE A CD1 1 -ATOM 1647 N N . TYR A 1 206 ? -45.252 -20.351 25.814 1.00 58.09 ? 206 TYR A N 1 -ATOM 1648 C CA . TYR A 1 206 ? -44.245 -19.410 25.359 1.00 57.55 ? 206 TYR A CA 1 -ATOM 1649 C C . TYR A 1 206 ? -43.563 -18.675 26.523 1.00 59.86 ? 206 TYR A C 1 -ATOM 1650 O O . TYR A 1 206 ? -42.335 -18.660 26.605 1.00 62.30 ? 206 TYR A O 1 -ATOM 1651 C CB . TYR A 1 206 ? -44.867 -18.448 24.357 1.00 56.19 ? 206 TYR A CB 1 -ATOM 1652 C CG . TYR A 1 206 ? -44.143 -17.139 24.178 1.00 59.45 ? 206 TYR A CG 1 -ATOM 1653 C CD1 . TYR A 1 206 ? -42.874 -17.091 23.605 1.00 59.55 ? 206 TYR A CD1 1 -ATOM 1654 C CD2 . TYR A 1 206 ? -44.747 -15.936 24.547 1.00 60.57 ? 206 TYR A CD2 1 -ATOM 1655 C CE1 . TYR A 1 206 ? -42.211 -15.874 23.426 1.00 55.26 ? 206 TYR A CE1 1 -ATOM 1656 C CE2 . TYR A 1 206 ? -44.096 -14.715 24.365 1.00 59.21 ? 206 TYR A CE2 1 -ATOM 1657 C CZ . TYR A 1 206 ? -42.828 -14.694 23.808 1.00 53.78 ? 206 TYR A CZ 1 -ATOM 1658 O OH . TYR A 1 206 ? -42.179 -13.491 23.633 1.00 55.22 ? 206 TYR A OH 1 -ATOM 1659 N N . MET A 1 207 ? -44.354 -18.091 27.426 1.00 60.13 ? 207 MET A N 1 -ATOM 1660 C CA . MET A 1 207 ? -43.824 -17.437 28.633 1.00 58.12 ? 207 MET A CA 1 -ATOM 1661 C C . MET A 1 207 ? -42.929 -18.355 29.450 1.00 57.31 ? 207 MET A C 1 -ATOM 1662 O O . MET A 1 207 ? -41.793 -18.003 29.777 1.00 57.54 ? 207 MET A O 1 -ATOM 1663 C CB . MET A 1 207 ? -44.955 -16.932 29.536 1.00 58.44 ? 207 MET A CB 1 -ATOM 1664 C CG . MET A 1 207 ? -45.690 -15.725 28.993 1.00 61.29 ? 207 MET A CG 1 -ATOM 1665 S SD . MET A 1 207 ? -44.591 -14.328 28.723 1.00 77.78 ? 207 MET A SD 1 -ATOM 1666 C CE . MET A 1 207 ? -44.107 -13.973 30.415 1.00 76.13 ? 207 MET A CE 1 -ATOM 1667 N N . PHE A 1 208 ? -43.452 -19.525 29.793 1.00 55.78 ? 208 PHE A N 1 -ATOM 1668 C CA . PHE A 1 208 ? -42.727 -20.475 30.627 1.00 56.13 ? 208 PHE A CA 1 -ATOM 1669 C C . PHE A 1 208 ? -41.425 -20.888 29.972 1.00 59.66 ? 208 PHE A C 1 -ATOM 1670 O O . PHE A 1 208 ? -40.395 -20.988 30.640 1.00 61.75 ? 208 PHE A O 1 -ATOM 1671 C CB . PHE A 1 208 ? -43.580 -21.708 30.864 1.00 54.10 ? 208 PHE A CB 1 -ATOM 1672 C CG . PHE A 1 208 ? -42.986 -22.691 31.817 1.00 48.50 ? 208 PHE A CG 1 -ATOM 1673 C CD1 . PHE A 1 208 ? -43.247 -22.597 33.184 1.00 47.43 ? 208 PHE A CD1 1 -ATOM 1674 C CD2 . PHE A 1 208 ? -42.211 -23.747 31.350 1.00 52.47 ? 208 PHE A CD2 1 -ATOM 1675 C CE1 . PHE A 1 208 ? -42.723 -23.534 34.093 1.00 51.12 ? 208 PHE A CE1 1 -ATOM 1676 C CE2 . PHE A 1 208 ? -41.671 -24.689 32.244 1.00 58.93 ? 208 PHE A CE2 1 -ATOM 1677 C CZ . PHE A 1 208 ? -41.930 -24.580 33.622 1.00 56.51 ? 208 PHE A CZ 1 -ATOM 1678 N N . VAL A 1 209 ? -41.474 -21.135 28.663 1.00 61.11 ? 209 VAL A N 1 -ATOM 1679 C CA . VAL A 1 209 ? -40.297 -21.608 27.943 1.00 59.28 ? 209 VAL A CA 1 -ATOM 1680 C C . VAL A 1 209 ? -39.318 -20.467 27.679 1.00 59.08 ? 209 VAL A C 1 -ATOM 1681 O O . VAL A 1 209 ? -38.184 -20.513 28.156 1.00 62.38 ? 209 VAL A O 1 -ATOM 1682 C CB . VAL A 1 209 ? -40.671 -22.369 26.642 1.00 59.77 ? 209 VAL A CB 1 -ATOM 1683 C CG1 . VAL A 1 209 ? -39.454 -22.545 25.735 1.00 59.15 ? 209 VAL A CG1 1 -ATOM 1684 C CG2 . VAL A 1 209 ? -41.269 -23.729 26.983 1.00 57.22 ? 209 VAL A CG2 1 -ATOM 1685 N N . VAL A 1 210 ? -39.758 -19.442 26.952 1.00 55.68 ? 210 VAL A N 1 -ATOM 1686 C CA . VAL A 1 210 ? -38.864 -18.364 26.536 1.00 54.22 ? 210 VAL A CA 1 -ATOM 1687 C C . VAL A 1 210 ? -38.509 -17.407 27.676 1.00 57.11 ? 210 VAL A C 1 -ATOM 1688 O O . VAL A 1 210 ? -37.402 -16.876 27.719 1.00 60.76 ? 210 VAL A O 1 -ATOM 1689 C CB . VAL A 1 210 ? -39.444 -17.561 25.332 1.00 54.70 ? 210 VAL A CB 1 -ATOM 1690 C CG1 . VAL A 1 210 ? -38.603 -16.317 25.025 1.00 48.15 ? 210 VAL A CG1 1 -ATOM 1691 C CG2 . VAL A 1 210 ? -39.538 -18.439 24.100 1.00 54.76 ? 210 VAL A CG2 1 -ATOM 1692 N N . HIS A 1 211 ? -39.440 -17.181 28.598 1.00 57.23 ? 211 HIS A N 1 -ATOM 1693 C CA . HIS A 1 211 ? -39.249 -16.158 29.621 1.00 53.51 ? 211 HIS A CA 1 -ATOM 1694 C C . HIS A 1 211 ? -38.969 -16.687 31.026 1.00 53.39 ? 211 HIS A C 1 -ATOM 1695 O O . HIS A 1 211 ? -38.731 -15.914 31.947 1.00 53.61 ? 211 HIS A O 1 -ATOM 1696 C CB . HIS A 1 211 ? -40.424 -15.198 29.626 1.00 52.01 ? 211 HIS A CB 1 -ATOM 1697 C CG . HIS A 1 211 ? -40.496 -14.337 28.406 1.00 55.06 ? 211 HIS A CG 1 -ATOM 1698 N ND1 . HIS A 1 211 ? -40.006 -13.051 28.375 1.00 55.55 ? 211 HIS A ND1 1 -ATOM 1699 C CD2 . HIS A 1 211 ? -41.000 -14.577 27.172 1.00 58.31 ? 211 HIS A CD2 1 -ATOM 1700 C CE1 . HIS A 1 211 ? -40.209 -12.532 27.176 1.00 51.21 ? 211 HIS A CE1 1 -ATOM 1701 N NE2 . HIS A 1 211 ? -40.810 -13.437 26.427 1.00 56.52 ? 211 HIS A NE2 1 -ATOM 1702 N N . PHE A 1 212 ? -38.984 -18.001 31.193 1.00 53.51 ? 212 PHE A N 1 -ATOM 1703 C CA . PHE A 1 212 ? -38.513 -18.586 32.441 1.00 54.83 ? 212 PHE A CA 1 -ATOM 1704 C C . PHE A 1 212 ? -37.376 -19.599 32.224 1.00 57.97 ? 212 PHE A C 1 -ATOM 1705 O O . PHE A 1 212 ? -36.272 -19.398 32.731 1.00 58.60 ? 212 PHE A O 1 -ATOM 1706 C CB . PHE A 1 212 ? -39.663 -19.197 33.242 1.00 53.19 ? 212 PHE A CB 1 -ATOM 1707 C CG . PHE A 1 212 ? -39.232 -19.812 34.534 1.00 52.97 ? 212 PHE A CG 1 -ATOM 1708 C CD1 . PHE A 1 212 ? -38.768 -19.015 35.578 1.00 55.79 ? 212 PHE A CD1 1 -ATOM 1709 C CD2 . PHE A 1 212 ? -39.284 -21.185 34.716 1.00 59.04 ? 212 PHE A CD2 1 -ATOM 1710 C CE1 . PHE A 1 212 ? -38.370 -19.578 36.784 1.00 51.68 ? 212 PHE A CE1 1 -ATOM 1711 C CE2 . PHE A 1 212 ? -38.884 -21.762 35.925 1.00 61.86 ? 212 PHE A CE2 1 -ATOM 1712 C CZ . PHE A 1 212 ? -38.426 -20.958 36.958 1.00 56.43 ? 212 PHE A CZ 1 -ATOM 1713 N N . ILE A 1 213 ? -37.633 -20.668 31.463 1.00 59.71 ? 213 ILE A N 1 -ATOM 1714 C CA . ILE A 1 213 ? -36.616 -21.712 31.243 1.00 61.96 ? 213 ILE A CA 1 -ATOM 1715 C C . ILE A 1 213 ? -35.325 -21.173 30.580 1.00 62.14 ? 213 ILE A C 1 -ATOM 1716 O O . ILE A 1 213 ? -34.228 -21.355 31.127 1.00 61.74 ? 213 ILE A O 1 -ATOM 1717 C CB . ILE A 1 213 ? -37.171 -22.953 30.470 1.00 63.95 ? 213 ILE A CB 1 -ATOM 1718 C CG1 . ILE A 1 213 ? -38.386 -23.552 31.183 1.00 61.44 ? 213 ILE A CG1 1 -ATOM 1719 C CG2 . ILE A 1 213 ? -36.090 -24.038 30.339 1.00 60.14 ? 213 ILE A CG2 1 -ATOM 1720 C CD1 . ILE A 1 213 ? -38.026 -24.374 32.411 1.00 58.65 ? 213 ILE A CD1 1 -ATOM 1721 N N . ILE A 1 214 ? -35.450 -20.517 29.424 1.00 59.04 ? 214 ILE A N 1 -ATOM 1722 C CA . ILE A 1 214 ? -34.292 -19.876 28.794 1.00 59.65 ? 214 ILE A CA 1 -ATOM 1723 C C . ILE A 1 214 ? -33.483 -19.043 29.813 1.00 62.08 ? 214 ILE A C 1 -ATOM 1724 O O . ILE A 1 214 ? -32.337 -19.382 30.110 1.00 62.86 ? 214 ILE A O 1 -ATOM 1725 C CB . ILE A 1 214 ? -34.680 -19.006 27.569 1.00 60.30 ? 214 ILE A CB 1 -ATOM 1726 C CG1 . ILE A 1 214 ? -35.491 -19.816 26.535 1.00 62.48 ? 214 ILE A CG1 1 -ATOM 1727 C CG2 . ILE A 1 214 ? -33.449 -18.332 26.970 1.00 48.70 ? 214 ILE A CG2 1 -ATOM 1728 C CD1 . ILE A 1 214 ? -34.697 -20.716 25.631 1.00 56.13 ? 214 ILE A CD1 1 -ATOM 1729 N N . PRO A 1 215 ? -34.077 -17.962 30.366 1.00 64.42 ? 215 PRO A N 1 -ATOM 1730 C CA . PRO A 1 215 ? -33.372 -17.210 31.398 1.00 63.68 ? 215 PRO A CA 1 -ATOM 1731 C C . PRO A 1 215 ? -32.710 -18.102 32.437 1.00 63.67 ? 215 PRO A C 1 -ATOM 1732 O O . PRO A 1 215 ? -31.526 -17.937 32.721 1.00 66.05 ? 215 PRO A O 1 -ATOM 1733 C CB . PRO A 1 215 ? -34.488 -16.390 32.036 1.00 62.55 ? 215 PRO A CB 1 -ATOM 1734 C CG . PRO A 1 215 ? -35.351 -16.064 30.879 1.00 63.06 ? 215 PRO A CG 1 -ATOM 1735 C CD . PRO A 1 215 ? -35.379 -17.337 30.058 1.00 65.01 ? 215 PRO A CD 1 -ATOM 1736 N N . LEU A 1 216 ? -33.459 -19.045 32.991 1.00 63.53 ? 216 LEU A N 1 -ATOM 1737 C CA . LEU A 1 216 ? -32.904 -19.946 33.998 1.00 63.36 ? 216 LEU A CA 1 -ATOM 1738 C C . LEU A 1 216 ? -31.671 -20.695 33.473 1.00 63.01 ? 216 LEU A C 1 -ATOM 1739 O O . LEU A 1 216 ? -30.653 -20.798 34.167 1.00 62.94 ? 216 LEU A O 1 -ATOM 1740 C CB . LEU A 1 216 ? -33.971 -20.927 34.499 1.00 63.31 ? 216 LEU A CB 1 -ATOM 1741 C CG . LEU A 1 216 ? -33.656 -21.582 35.843 1.00 64.60 ? 216 LEU A CG 1 -ATOM 1742 C CD1 . LEU A 1 216 ? -33.244 -20.520 36.835 1.00 69.79 ? 216 LEU A CD1 1 -ATOM 1743 C CD2 . LEU A 1 216 ? -34.834 -22.382 36.372 1.00 59.93 ? 216 LEU A CD2 1 -ATOM 1744 N N . ILE A 1 217 ? -31.762 -21.213 32.248 1.00 61.67 ? 217 ILE A N 1 -ATOM 1745 C CA . ILE A 1 217 ? -30.641 -21.937 31.647 1.00 59.17 ? 217 ILE A CA 1 -ATOM 1746 C C . ILE A 1 217 ? -29.440 -21.006 31.447 1.00 57.50 ? 217 ILE A C 1 -ATOM 1747 O O . ILE A 1 217 ? -28.337 -21.309 31.915 1.00 57.09 ? 217 ILE A O 1 -ATOM 1748 C CB . ILE A 1 217 ? -31.038 -22.656 30.327 1.00 59.47 ? 217 ILE A CB 1 -ATOM 1749 C CG1 . ILE A 1 217 ? -31.826 -23.937 30.632 1.00 59.80 ? 217 ILE A CG1 1 -ATOM 1750 C CG2 . ILE A 1 217 ? -29.803 -22.999 29.497 1.00 58.56 ? 217 ILE A CG2 1 -ATOM 1751 C CD1 . ILE A 1 217 ? -32.563 -24.522 29.424 1.00 48.62 ? 217 ILE A CD1 1 -ATOM 1752 N N . VAL A 1 218 ? -29.659 -19.872 30.779 1.00 52.94 ? 218 VAL A N 1 -ATOM 1753 C CA . VAL A 1 218 ? -28.583 -18.914 30.531 1.00 51.02 ? 218 VAL A CA 1 -ATOM 1754 C C . VAL A 1 218 ? -27.884 -18.457 31.819 1.00 53.39 ? 218 VAL A C 1 -ATOM 1755 O O . VAL A 1 218 ? -26.651 -18.493 31.890 1.00 54.31 ? 218 VAL A O 1 -ATOM 1756 C CB . VAL A 1 218 ? -29.062 -17.712 29.709 1.00 51.14 ? 218 VAL A CB 1 -ATOM 1757 C CG1 . VAL A 1 218 ? -27.944 -16.692 29.535 1.00 47.13 ? 218 VAL A CG1 1 -ATOM 1758 C CG2 . VAL A 1 218 ? -29.566 -18.176 28.358 1.00 52.72 ? 218 VAL A CG2 1 -ATOM 1759 N N . ILE A 1 219 ? -28.654 -18.053 32.835 1.00 53.44 ? 219 ILE A N 1 -ATOM 1760 C CA . ILE A 1 219 ? -28.062 -17.686 34.135 1.00 54.40 ? 219 ILE A CA 1 -ATOM 1761 C C . ILE A 1 219 ? -27.206 -18.802 34.733 1.00 54.57 ? 219 ILE A C 1 -ATOM 1762 O O . ILE A 1 219 ? -26.083 -18.553 35.147 1.00 55.24 ? 219 ILE A O 1 -ATOM 1763 C CB . ILE A 1 219 ? -29.102 -17.179 35.190 1.00 54.72 ? 219 ILE A CB 1 -ATOM 1764 C CG1 . ILE A 1 219 ? -29.680 -15.825 34.773 1.00 54.77 ? 219 ILE A CG1 1 -ATOM 1765 C CG2 . ILE A 1 219 ? -28.455 -17.009 36.566 1.00 46.58 ? 219 ILE A CG2 1 -ATOM 1766 C CD1 . ILE A 1 219 ? -30.965 -15.453 35.492 1.00 48.18 ? 219 ILE A CD1 1 -ATOM 1767 N N . PHE A 1 220 ? -27.728 -20.024 34.767 1.00 57.27 ? 220 PHE A N 1 -ATOM 1768 C CA . PHE A 1 220 ? -26.997 -21.160 35.353 1.00 60.70 ? 220 PHE A CA 1 -ATOM 1769 C C . PHE A 1 220 ? -25.706 -21.513 34.609 1.00 59.84 ? 220 PHE A C 1 -ATOM 1770 O O . PHE A 1 220 ? -24.667 -21.758 35.224 1.00 57.48 ? 220 PHE A O 1 -ATOM 1771 C CB . PHE A 1 220 ? -27.899 -22.395 35.494 1.00 59.67 ? 220 PHE A CB 1 -ATOM 1772 C CG . PHE A 1 220 ? -28.443 -22.584 36.882 1.00 68.80 ? 220 PHE A CG 1 -ATOM 1773 C CD1 . PHE A 1 220 ? -29.643 -21.987 37.267 1.00 76.20 ? 220 PHE A CD1 1 -ATOM 1774 C CD2 . PHE A 1 220 ? -27.746 -23.349 37.818 1.00 73.63 ? 220 PHE A CD2 1 -ATOM 1775 C CE1 . PHE A 1 220 ? -30.149 -22.163 38.560 1.00 77.04 ? 220 PHE A CE1 1 -ATOM 1776 C CE2 . PHE A 1 220 ? -28.241 -23.529 39.113 1.00 66.88 ? 220 PHE A CE2 1 -ATOM 1777 C CZ . PHE A 1 220 ? -29.444 -22.938 39.481 1.00 73.70 ? 220 PHE A CZ 1 -ATOM 1778 N N . PHE A 1 221 ? -25.777 -21.536 33.285 1.00 61.54 ? 221 PHE A N 1 -ATOM 1779 C CA . PHE A 1 221 ? -24.600 -21.791 32.479 1.00 61.96 ? 221 PHE A CA 1 -ATOM 1780 C C . PHE A 1 221 ? -23.542 -20.739 32.808 1.00 63.49 ? 221 PHE A C 1 -ATOM 1781 O O . PHE A 1 221 ? -22.482 -21.064 33.350 1.00 64.25 ? 221 PHE A O 1 -ATOM 1782 C CB . PHE A 1 221 ? -24.960 -21.761 30.996 1.00 61.26 ? 221 PHE A CB 1 -ATOM 1783 C CG . PHE A 1 221 ? -23.786 -21.928 30.089 1.00 63.03 ? 221 PHE A CG 1 -ATOM 1784 C CD1 . PHE A 1 221 ? -23.198 -23.183 29.917 1.00 62.35 ? 221 PHE A CD1 1 -ATOM 1785 C CD2 . PHE A 1 221 ? -23.265 -20.835 29.398 1.00 58.36 ? 221 PHE A CD2 1 -ATOM 1786 C CE1 . PHE A 1 221 ? -22.100 -23.346 29.073 1.00 57.12 ? 221 PHE A CE1 1 -ATOM 1787 C CE2 . PHE A 1 221 ? -22.169 -20.984 28.550 1.00 59.43 ? 221 PHE A CE2 1 -ATOM 1788 C CZ . PHE A 1 221 ? -21.583 -22.243 28.388 1.00 59.18 ? 221 PHE A CZ 1 -ATOM 1789 N N . CYS A 1 222 ? -23.853 -19.476 32.513 1.00 62.00 ? 222 CYS A N 1 -ATOM 1790 C CA . CYS A 1 222 ? -22.931 -18.366 32.745 1.00 60.12 ? 222 CYS A CA 1 -ATOM 1791 C C . CYS A 1 222 ? -22.295 -18.318 34.127 1.00 58.54 ? 222 CYS A C 1 -ATOM 1792 O O . CYS A 1 222 ? -21.075 -18.266 34.242 1.00 59.40 ? 222 CYS A O 1 -ATOM 1793 C CB . CYS A 1 222 ? -23.626 -17.047 32.497 1.00 60.72 ? 222 CYS A CB 1 -ATOM 1794 S SG . CYS A 1 222 ? -24.028 -16.808 30.802 1.00 66.92 ? 222 CYS A SG 1 -ATOM 1795 N N . TYR A 1 223 ? -23.107 -18.298 35.176 1.00 56.22 ? 223 TYR A N 1 -ATOM 1796 C CA . TYR A 1 223 ? -22.548 -18.149 36.509 1.00 54.37 ? 223 TYR A CA 1 -ATOM 1797 C C . TYR A 1 223 ? -21.845 -19.422 36.936 1.00 55.18 ? 223 TYR A C 1 -ATOM 1798 O O . TYR A 1 223 ? -20.858 -19.364 37.665 1.00 56.89 ? 223 TYR A O 1 -ATOM 1799 C CB . TYR A 1 223 ? -23.593 -17.681 37.537 1.00 53.97 ? 223 TYR A CB 1 -ATOM 1800 C CG . TYR A 1 223 ? -23.919 -16.189 37.482 1.00 51.05 ? 223 TYR A CG 1 -ATOM 1801 C CD1 . TYR A 1 223 ? -25.214 -15.723 37.726 1.00 44.94 ? 223 TYR A CD1 1 -ATOM 1802 C CD2 . TYR A 1 223 ? -22.935 -15.244 37.184 1.00 48.33 ? 223 TYR A CD2 1 -ATOM 1803 C CE1 . TYR A 1 223 ? -25.517 -14.356 37.684 1.00 35.18 ? 223 TYR A CE1 1 -ATOM 1804 C CE2 . TYR A 1 223 ? -23.233 -13.877 37.129 1.00 45.62 ? 223 TYR A CE2 1 -ATOM 1805 C CZ . TYR A 1 223 ? -24.522 -13.443 37.380 1.00 42.54 ? 223 TYR A CZ 1 -ATOM 1806 O OH . TYR A 1 223 ? -24.809 -12.098 37.325 1.00 43.88 ? 223 TYR A OH 1 -ATOM 1807 N N . GLY A 1 224 ? -22.334 -20.569 36.463 1.00 56.34 ? 224 GLY A N 1 -ATOM 1808 C CA . GLY A 1 224 ? -21.626 -21.846 36.648 1.00 56.29 ? 224 GLY A CA 1 -ATOM 1809 C C . GLY A 1 224 ? -20.220 -21.779 36.055 1.00 57.37 ? 224 GLY A C 1 -ATOM 1810 O O . GLY A 1 224 ? -19.232 -22.098 36.714 1.00 56.38 ? 224 GLY A O 1 -ATOM 1811 N N . GLN A 1 225 ? -20.130 -21.344 34.804 1.00 56.40 ? 225 GLN A N 1 -ATOM 1812 C CA . GLN A 1 225 ? -18.842 -21.069 34.189 1.00 58.59 ? 225 GLN A CA 1 -ATOM 1813 C C . GLN A 1 225 ? -17.963 -20.150 35.052 1.00 58.92 ? 225 GLN A C 1 -ATOM 1814 O O . GLN A 1 225 ? -16.813 -20.465 35.354 1.00 60.01 ? 225 GLN A O 1 -ATOM 1815 C CB . GLN A 1 225 ? -19.048 -20.453 32.801 1.00 58.26 ? 225 GLN A CB 1 -ATOM 1816 C CG . GLN A 1 225 ? -19.655 -21.409 31.790 1.00 64.09 ? 225 GLN A CG 1 -ATOM 1817 C CD . GLN A 1 225 ? -18.798 -22.650 31.569 1.00 70.20 ? 225 GLN A CD 1 -ATOM 1818 O OE1 . GLN A 1 225 ? -17.834 -22.896 32.299 1.00 71.55 ? 225 GLN A OE1 1 -ATOM 1819 N NE2 . GLN A 1 225 ? -19.146 -23.435 30.557 1.00 65.02 ? 225 GLN A NE2 1 -ATOM 1820 N N . LEU A 1 226 ? -18.515 -19.008 35.433 1.00 60.28 ? 226 LEU A N 1 -ATOM 1821 C CA . LEU A 1 226 ? -17.792 -18.027 36.224 1.00 59.46 ? 226 LEU A CA 1 -ATOM 1822 C C . LEU A 1 226 ? -17.258 -18.651 37.512 1.00 60.27 ? 226 LEU A C 1 -ATOM 1823 O O . LEU A 1 226 ? -16.092 -18.472 37.857 1.00 61.52 ? 226 LEU A O 1 -ATOM 1824 C CB . LEU A 1 226 ? -18.692 -16.822 36.525 1.00 57.18 ? 226 LEU A CB 1 -ATOM 1825 C CG . LEU A 1 226 ? -17.972 -15.506 36.819 1.00 52.56 ? 226 LEU A CG 1 -ATOM 1826 C CD1 . LEU A 1 226 ? -18.692 -14.334 36.190 1.00 53.47 ? 226 LEU A CD1 1 -ATOM 1827 C CD2 . LEU A 1 226 ? -17.829 -15.301 38.305 1.00 53.71 ? 226 LEU A CD2 1 -ATOM 1828 N N . VAL A 1 227 ? -18.099 -19.394 38.221 1.00 58.47 ? 227 VAL A N 1 -ATOM 1829 C CA . VAL A 1 227 ? -17.632 -20.027 39.439 1.00 60.43 ? 227 VAL A CA 1 -ATOM 1830 C C . VAL A 1 227 ? -16.527 -21.016 39.092 1.00 62.68 ? 227 VAL A C 1 -ATOM 1831 O O . VAL A 1 227 ? -15.545 -21.136 39.814 1.00 65.10 ? 227 VAL A O 1 -ATOM 1832 C CB . VAL A 1 227 ? -18.767 -20.698 40.238 1.00 59.56 ? 227 VAL A CB 1 -ATOM 1833 C CG1 . VAL A 1 227 ? -18.199 -21.525 41.373 1.00 55.06 ? 227 VAL A CG1 1 -ATOM 1834 C CG2 . VAL A 1 227 ? -19.703 -19.642 40.791 1.00 60.24 ? 227 VAL A CG2 1 -ATOM 1835 N N . PHE A 1 228 ? -16.670 -21.701 37.965 1.00 65.41 ? 228 PHE A N 1 -ATOM 1836 C CA . PHE A 1 228 ? -15.624 -22.616 37.517 1.00 65.06 ? 228 PHE A CA 1 -ATOM 1837 C C . PHE A 1 228 ? -14.301 -21.874 37.246 1.00 62.45 ? 228 PHE A C 1 -ATOM 1838 O O . PHE A 1 228 ? -13.288 -22.169 37.873 1.00 61.23 ? 228 PHE A O 1 -ATOM 1839 C CB . PHE A 1 228 ? -16.075 -23.419 36.296 1.00 63.31 ? 228 PHE A CB 1 -ATOM 1840 C CG . PHE A 1 228 ? -15.119 -24.513 35.913 1.00 73.67 ? 228 PHE A CG 1 -ATOM 1841 C CD1 . PHE A 1 228 ? -14.891 -25.588 36.774 1.00 80.28 ? 228 PHE A CD1 1 -ATOM 1842 C CD2 . PHE A 1 228 ? -14.437 -24.470 34.699 1.00 74.47 ? 228 PHE A CD2 1 -ATOM 1843 C CE1 . PHE A 1 228 ? -14.004 -26.598 36.429 1.00 73.01 ? 228 PHE A CE1 1 -ATOM 1844 C CE2 . PHE A 1 228 ? -13.557 -25.475 34.347 1.00 66.10 ? 228 PHE A CE2 1 -ATOM 1845 C CZ . PHE A 1 228 ? -13.343 -26.541 35.212 1.00 72.30 ? 228 PHE A CZ 1 -ATOM 1846 N N . THR A 1 229 ? -14.319 -20.911 36.328 1.00 58.99 ? 229 THR A N 1 -ATOM 1847 C CA . THR A 1 229 ? -13.140 -20.108 36.042 1.00 58.18 ? 229 THR A CA 1 -ATOM 1848 C C . THR A 1 229 ? -12.442 -19.648 37.318 1.00 59.77 ? 229 THR A C 1 -ATOM 1849 O O . THR A 1 229 ? -11.235 -19.814 37.473 1.00 62.29 ? 229 THR A O 1 -ATOM 1850 C CB . THR A 1 229 ? -13.500 -18.887 35.183 1.00 58.89 ? 229 THR A CB 1 -ATOM 1851 O OG1 . THR A 1 229 ? -13.752 -19.309 33.837 1.00 65.61 ? 229 THR A OG1 1 -ATOM 1852 C CG2 . THR A 1 229 ? -12.376 -17.854 35.180 1.00 55.49 ? 229 THR A CG2 1 -ATOM 1853 N N . VAL A 1 230 ? -13.209 -19.082 38.240 1.00 60.99 ? 230 VAL A N 1 -ATOM 1854 C CA . VAL A 1 230 ? -12.640 -18.499 39.451 1.00 59.54 ? 230 VAL A CA 1 -ATOM 1855 C C . VAL A 1 230 ? -12.082 -19.547 40.424 1.00 60.00 ? 230 VAL A C 1 -ATOM 1856 O O . VAL A 1 230 ? -11.049 -19.323 41.046 1.00 60.20 ? 230 VAL A O 1 -ATOM 1857 C CB . VAL A 1 230 ? -13.650 -17.534 40.134 1.00 59.95 ? 230 VAL A CB 1 -ATOM 1858 C CG1 . VAL A 1 230 ? -13.172 -17.096 41.524 1.00 53.25 ? 230 VAL A CG1 1 -ATOM 1859 C CG2 . VAL A 1 230 ? -13.887 -16.330 39.235 1.00 55.15 ? 230 VAL A CG2 1 -ATOM 1860 N N . LYS A 1 231 ? -12.748 -20.691 40.551 1.00 60.96 ? 231 LYS A N 1 -ATOM 1861 C CA . LYS A 1 231 ? -12.211 -21.778 41.380 1.00 64.99 ? 231 LYS A CA 1 -ATOM 1862 C C . LYS A 1 231 ? -10.848 -22.232 40.840 1.00 66.60 ? 231 LYS A C 1 -ATOM 1863 O O . LYS A 1 231 ? -9.877 -22.389 41.595 1.00 66.12 ? 231 LYS A O 1 -ATOM 1864 C CB . LYS A 1 231 ? -13.162 -22.978 41.420 1.00 63.16 ? 231 LYS A CB 1 -ATOM 1865 C CG . LYS A 1 231 ? -14.537 -22.698 41.975 1.00 65.84 ? 231 LYS A CG 1 -ATOM 1866 C CD . LYS A 1 231 ? -14.530 -22.546 43.476 1.00 70.32 ? 231 LYS A CD 1 -ATOM 1867 C CE . LYS A 1 231 ? -15.917 -22.809 44.033 1.00 65.82 ? 231 LYS A CE 1 -ATOM 1868 N NZ . LYS A 1 231 ? -16.033 -22.319 45.430 1.00 70.65 ? 231 LYS A NZ 1 -ATOM 1869 N N . GLU A 1 232 ? -10.807 -22.438 39.524 1.00 67.09 ? 232 GLU A N 1 -ATOM 1870 C CA . GLU A 1 232 ? -9.624 -22.879 38.819 1.00 69.05 ? 232 GLU A CA 1 -ATOM 1871 C C . GLU A 1 232 ? -8.487 -21.871 38.975 1.00 69.40 ? 232 GLU A C 1 -ATOM 1872 O O . GLU A 1 232 ? -7.389 -22.228 39.415 1.00 71.92 ? 232 GLU A O 1 -ATOM 1873 C CB . GLU A 1 232 ? -9.958 -23.102 37.346 1.00 69.35 ? 232 GLU A CB 1 -ATOM 1874 C CG . GLU A 1 232 ? -8.748 -23.313 36.456 1.00 85.54 ? 232 GLU A CG 1 -ATOM 1875 C CD . GLU A 1 232 ? -9.078 -24.085 35.185 1.00 100.26 ? 232 GLU A CD 1 -ATOM 1876 O OE1 . GLU A 1 232 ? -10.251 -24.489 35.012 1.00 102.35 ? 232 GLU A OE1 1 -ATOM 1877 O OE2 . GLU A 1 232 ? -8.157 -24.291 34.362 1.00 105.23 ? 232 GLU A OE2 1 -ATOM 1878 N N . ALA A 1 233 ? -8.754 -20.612 38.632 1.00 66.52 ? 233 ALA A N 1 -ATOM 1879 C CA . ALA A 1 233 ? -7.763 -19.551 38.792 1.00 63.07 ? 233 ALA A CA 1 -ATOM 1880 C C . ALA A 1 233 ? -7.135 -19.532 40.197 1.00 61.24 ? 233 ALA A C 1 -ATOM 1881 O O . ALA A 1 233 ? -5.920 -19.405 40.335 1.00 60.81 ? 233 ALA A O 1 -ATOM 1882 C CB . ALA A 1 233 ? -8.366 -18.206 38.449 1.00 60.10 ? 233 ALA A CB 1 -ATOM 1883 N N . ALA A 1 234 ? -7.962 -19.676 41.228 1.00 61.53 ? 234 ALA A N 1 -ATOM 1884 C CA . ALA A 1 234 ? -7.481 -19.661 42.611 1.00 62.17 ? 234 ALA A CA 1 -ATOM 1885 C C . ALA A 1 234 ? -6.620 -20.882 42.938 1.00 61.84 ? 234 ALA A C 1 -ATOM 1886 O O . ALA A 1 234 ? -5.593 -20.755 43.606 1.00 61.03 ? 234 ALA A O 1 -ATOM 1887 C CB . ALA A 1 234 ? -8.649 -19.558 43.584 1.00 61.81 ? 234 ALA A CB 1 -ATOM 1888 N N . ALA A 1 235 ? -7.052 -22.056 42.468 1.00 61.70 ? 235 ALA A N 1 -ATOM 1889 C CA . ALA A 1 235 ? -6.339 -23.326 42.676 1.00 59.29 ? 235 ALA A CA 1 -ATOM 1890 C C . ALA A 1 235 ? -4.926 -23.285 42.095 1.00 60.64 ? 235 ALA A C 1 -ATOM 1891 O O . ALA A 1 235 ? -3.993 -23.843 42.672 1.00 59.80 ? 235 ALA A O 1 -ATOM 1892 C CB . ALA A 1 235 ? -7.115 -24.458 42.053 1.00 56.54 ? 235 ALA A CB 1 -ATOM 1893 N N . GLN A 1 236 ? -4.798 -22.623 40.945 1.00 59.35 ? 236 GLN A N 1 -ATOM 1894 C CA . GLN A 1 236 ? -3.535 -22.419 40.261 1.00 57.97 ? 236 GLN A CA 1 -ATOM 1895 C C . GLN A 1 236 ? -2.726 -21.234 40.817 1.00 57.82 ? 236 GLN A C 1 -ATOM 1896 O O . GLN A 1 236 ? -1.696 -20.837 40.247 1.00 55.79 ? 236 GLN A O 1 -ATOM 1897 C CB . GLN A 1 236 ? -3.817 -22.195 38.779 1.00 59.37 ? 236 GLN A CB 1 -ATOM 1898 C CG . GLN A 1 236 ? -3.793 -23.464 37.947 1.00 68.85 ? 236 GLN A CG 1 -ATOM 1899 C CD . GLN A 1 236 ? -2.454 -24.167 38.034 1.00 74.13 ? 236 GLN A CD 1 -ATOM 1900 O OE1 . GLN A 1 236 ? -2.359 -25.276 38.553 1.00 78.09 ? 236 GLN A OE1 1 -ATOM 1901 N NE2 . GLN A 1 236 ? -1.404 -23.507 37.559 1.00 75.35 ? 236 GLN A NE2 1 -ATOM 1902 N N . GLN A 1 237 ? -3.186 -20.677 41.933 1.00 55.66 ? 237 GLN A N 1 -ATOM 1903 C CA . GLN A 1 237 ? -2.605 -19.455 42.458 1.00 53.88 ? 237 GLN A CA 1 -ATOM 1904 C C . GLN A 1 237 ? -2.798 -19.346 43.964 1.00 54.12 ? 237 GLN A C 1 -ATOM 1905 O O . GLN A 1 237 ? -3.001 -18.258 44.500 1.00 55.53 ? 237 GLN A O 1 -ATOM 1906 C CB . GLN A 1 237 ? -3.238 -18.264 41.762 1.00 52.26 ? 237 GLN A CB 1 -ATOM 1907 C CG . GLN A 1 237 ? -2.519 -16.957 41.993 1.00 58.73 ? 237 GLN A CG 1 -ATOM 1908 C CD . GLN A 1 237 ? -2.687 -16.011 40.819 1.00 65.13 ? 237 GLN A CD 1 -ATOM 1909 O OE1 . GLN A 1 237 ? -3.523 -16.241 39.936 1.00 58.22 ? 237 GLN A OE1 1 -ATOM 1910 N NE2 . GLN A 1 237 ? -1.883 -14.947 40.793 1.00 65.56 ? 237 GLN A NE2 1 -ATOM 1911 N N . GLN A 1 238 ? -2.709 -20.480 44.646 1.00 50.87 ? 238 GLN A N 1 -ATOM 1912 C CA . GLN A 1 238 ? -2.961 -20.533 46.067 1.00 50.07 ? 238 GLN A CA 1 -ATOM 1913 C C . GLN A 1 238 ? -1.985 -19.720 46.903 1.00 52.98 ? 238 GLN A C 1 -ATOM 1914 O O . GLN A 1 238 ? -2.171 -19.569 48.118 1.00 57.94 ? 238 GLN A O 1 -ATOM 1915 C CB . GLN A 1 238 ? -2.951 -21.977 46.522 1.00 49.23 ? 238 GLN A CB 1 -ATOM 1916 C CG . GLN A 1 238 ? -4.014 -22.804 45.856 1.00 53.55 ? 238 GLN A CG 1 -ATOM 1917 C CD . GLN A 1 238 ? -3.830 -24.257 46.137 1.00 62.49 ? 238 GLN A CD 1 -ATOM 1918 O OE1 . GLN A 1 238 ? -2.699 -24.729 46.256 1.00 76.29 ? 238 GLN A OE1 1 -ATOM 1919 N NE2 . GLN A 1 238 ? -4.931 -24.987 46.248 1.00 63.81 ? 238 GLN A NE2 1 -ATOM 1920 N N . GLU A 1 239 ? -0.941 -19.202 46.267 1.00 53.42 ? 239 GLU A N 1 -ATOM 1921 C CA . GLU A 1 239 ? 0.023 -18.360 46.969 1.00 52.96 ? 239 GLU A CA 1 -ATOM 1922 C C . GLU A 1 239 ? -0.542 -16.952 47.127 1.00 55.05 ? 239 GLU A C 1 -ATOM 1923 O O . GLU A 1 239 ? 0.060 -16.104 47.783 1.00 57.34 ? 239 GLU A O 1 -ATOM 1924 C CB . GLU A 1 239 ? 1.382 -18.332 46.243 1.00 50.43 ? 239 GLU A CB 1 -ATOM 1925 C CG . GLU A 1 239 ? 1.457 -17.408 45.023 1.00 40.93 ? 239 GLU A CG 1 -ATOM 1926 C CD . GLU A 1 239 ? 0.979 -18.070 43.735 1.00 49.15 ? 239 GLU A CD 1 -ATOM 1927 O OE1 . GLU A 1 239 ? 0.446 -19.209 43.784 1.00 43.70 ? 239 GLU A OE1 1 -ATOM 1928 O OE2 . GLU A 1 239 ? 1.154 -17.449 42.660 1.00 55.16 ? 239 GLU A OE2 1 -ATOM 1929 N N . SER A 1 240 ? -1.701 -16.713 46.521 1.00 56.69 ? 240 SER A N 1 -ATOM 1930 C CA . SER A 1 240 ? -2.344 -15.395 46.566 1.00 58.94 ? 240 SER A CA 1 -ATOM 1931 C C . SER A 1 240 ? -3.581 -15.389 47.453 1.00 58.25 ? 240 SER A C 1 -ATOM 1932 O O . SER A 1 240 ? -4.628 -15.893 47.047 1.00 57.93 ? 240 SER A O 1 -ATOM 1933 C CB . SER A 1 240 ? -2.740 -14.949 45.158 1.00 60.06 ? 240 SER A CB 1 -ATOM 1934 O OG . SER A 1 240 ? -3.655 -13.871 45.215 1.00 60.34 ? 240 SER A OG 1 -ATOM 1935 N N . ALA A 1 241 ? -3.462 -14.822 48.656 1.00 58.79 ? 241 ALA A N 1 -ATOM 1936 C CA . ALA A 1 241 ? -4.592 -14.762 49.595 1.00 59.30 ? 241 ALA A CA 1 -ATOM 1937 C C . ALA A 1 241 ? -5.804 -14.009 48.980 1.00 59.98 ? 241 ALA A C 1 -ATOM 1938 O O . ALA A 1 241 ? -6.958 -14.464 49.061 1.00 56.05 ? 241 ALA A O 1 -ATOM 1939 C CB . ALA A 1 241 ? -4.158 -14.143 50.935 1.00 53.17 ? 241 ALA A CB 1 -ATOM 1940 N N . THR A 1 242 ? -5.524 -12.875 48.341 1.00 58.45 ? 242 THR A N 1 -ATOM 1941 C CA . THR A 1 242 ? -6.556 -12.117 47.660 1.00 61.36 ? 242 THR A CA 1 -ATOM 1942 C C . THR A 1 242 ? -7.360 -13.010 46.710 1.00 62.51 ? 242 THR A C 1 -ATOM 1943 O O . THR A 1 242 ? -8.589 -13.054 46.801 1.00 66.43 ? 242 THR A O 1 -ATOM 1944 C CB . THR A 1 242 ? -5.968 -10.908 46.892 1.00 62.17 ? 242 THR A CB 1 -ATOM 1945 O OG1 . THR A 1 242 ? -5.359 -10.008 47.820 1.00 63.97 ? 242 THR A OG1 1 -ATOM 1946 C CG2 . THR A 1 242 ? -7.047 -10.168 46.152 1.00 61.41 ? 242 THR A CG2 1 -ATOM 1947 N N . THR A 1 243 ? -6.682 -13.720 45.808 1.00 59.70 ? 243 THR A N 1 -ATOM 1948 C CA . THR A 1 243 ? -7.382 -14.562 44.840 1.00 57.15 ? 243 THR A CA 1 -ATOM 1949 C C . THR A 1 243 ? -8.256 -15.589 45.560 1.00 56.38 ? 243 THR A C 1 -ATOM 1950 O O . THR A 1 243 ? -9.331 -15.945 45.075 1.00 53.92 ? 243 THR A O 1 -ATOM 1951 C CB . THR A 1 243 ? -6.418 -15.272 43.850 1.00 58.22 ? 243 THR A CB 1 -ATOM 1952 O OG1 . THR A 1 243 ? -5.499 -14.324 43.305 1.00 56.46 ? 243 THR A OG1 1 -ATOM 1953 C CG2 . THR A 1 243 ? -7.190 -15.909 42.701 1.00 55.17 ? 243 THR A CG2 1 -ATOM 1954 N N . GLN A 1 244 ? -7.807 -16.046 46.727 1.00 56.58 ? 244 GLN A N 1 -ATOM 1955 C CA . GLN A 1 244 ? -8.589 -17.006 47.504 1.00 57.50 ? 244 GLN A CA 1 -ATOM 1956 C C . GLN A 1 244 ? -9.873 -16.362 48.012 1.00 58.93 ? 244 GLN A C 1 -ATOM 1957 O O . GLN A 1 244 ? -10.931 -16.994 48.006 1.00 60.07 ? 244 GLN A O 1 -ATOM 1958 C CB . GLN A 1 244 ? -7.788 -17.581 48.672 1.00 56.28 ? 244 GLN A CB 1 -ATOM 1959 C CG . GLN A 1 244 ? -6.448 -18.191 48.290 1.00 60.31 ? 244 GLN A CG 1 -ATOM 1960 C CD . GLN A 1 244 ? -6.501 -19.038 47.024 1.00 55.60 ? 244 GLN A CD 1 -ATOM 1961 O OE1 . GLN A 1 244 ? -7.270 -19.992 46.928 1.00 55.72 ? 244 GLN A OE1 1 -ATOM 1962 N NE2 . GLN A 1 244 ? -5.669 -18.691 46.051 1.00 55.90 ? 244 GLN A NE2 1 -ATOM 1963 N N . LYS A 1 245 ? -9.771 -15.104 48.438 1.00 59.71 ? 245 LYS A N 1 -ATOM 1964 C CA . LYS A 1 245 ? -10.927 -14.337 48.892 1.00 60.75 ? 245 LYS A CA 1 -ATOM 1965 C C . LYS A 1 245 ? -11.924 -14.103 47.768 1.00 60.94 ? 245 LYS A C 1 -ATOM 1966 O O . LYS A 1 245 ? -13.119 -14.371 47.924 1.00 62.18 ? 245 LYS A O 1 -ATOM 1967 C CB . LYS A 1 245 ? -10.490 -13.008 49.511 1.00 61.28 ? 245 LYS A CB 1 -ATOM 1968 C CG . LYS A 1 245 ? -10.227 -13.118 51.006 1.00 71.17 ? 245 LYS A CG 1 -ATOM 1969 C CD . LYS A 1 245 ? -9.084 -12.221 51.460 1.00 84.69 ? 245 LYS A CD 1 -ATOM 1970 C CE . LYS A 1 245 ? -8.457 -12.785 52.732 1.00 93.98 ? 245 LYS A CE 1 -ATOM 1971 N NZ . LYS A 1 245 ? -7.241 -12.042 53.164 1.00 100.27 ? 245 LYS A NZ 1 -ATOM 1972 N N . ALA A 1 246 ? -11.432 -13.612 46.635 1.00 60.54 ? 246 ALA A N 1 -ATOM 1973 C CA . ALA A 1 246 ? -12.278 -13.409 45.465 1.00 59.29 ? 246 ALA A CA 1 -ATOM 1974 C C . ALA A 1 246 ? -13.075 -14.673 45.131 1.00 59.02 ? 246 ALA A C 1 -ATOM 1975 O O . ALA A 1 246 ? -14.267 -14.614 44.841 1.00 58.51 ? 246 ALA A O 1 -ATOM 1976 C CB . ALA A 1 246 ? -11.443 -12.973 44.281 1.00 58.19 ? 246 ALA A CB 1 -ATOM 1977 N N . GLU A 1 247 ? -12.421 -15.823 45.184 1.00 59.10 ? 247 GLU A N 1 -ATOM 1978 C CA . GLU A 1 247 ? -13.098 -17.054 44.831 1.00 60.88 ? 247 GLU A CA 1 -ATOM 1979 C C . GLU A 1 247 ? -14.270 -17.305 45.783 1.00 60.71 ? 247 GLU A C 1 -ATOM 1980 O O . GLU A 1 247 ? -15.357 -17.685 45.351 1.00 61.20 ? 247 GLU A O 1 -ATOM 1981 C CB . GLU A 1 247 ? -12.102 -18.214 44.788 1.00 61.52 ? 247 GLU A CB 1 -ATOM 1982 C CG . GLU A 1 247 ? -12.712 -19.594 44.677 1.00 67.49 ? 247 GLU A CG 1 -ATOM 1983 C CD . GLU A 1 247 ? -12.932 -20.218 46.037 1.00 85.78 ? 247 GLU A CD 1 -ATOM 1984 O OE1 . GLU A 1 247 ? -12.124 -19.956 46.965 1.00 83.16 ? 247 GLU A OE1 1 -ATOM 1985 O OE2 . GLU A 1 247 ? -13.920 -20.968 46.178 1.00 96.51 ? 247 GLU A OE2 1 -ATOM 1986 N N . LYS A 1 248 ? -14.051 -17.059 47.071 1.00 61.21 ? 248 LYS A N 1 -ATOM 1987 C CA . LYS A 1 248 ? -15.103 -17.201 48.078 1.00 61.15 ? 248 LYS A CA 1 -ATOM 1988 C C . LYS A 1 248 ? -16.225 -16.166 47.938 1.00 59.95 ? 248 LYS A C 1 -ATOM 1989 O O . LYS A 1 248 ? -17.412 -16.513 47.971 1.00 57.50 ? 248 LYS A O 1 -ATOM 1990 C CB . LYS A 1 248 ? -14.506 -17.193 49.489 1.00 59.40 ? 248 LYS A CB 1 -ATOM 1991 C CG . LYS A 1 248 ? -14.155 -18.598 49.937 1.00 73.24 ? 248 LYS A CG 1 -ATOM 1992 C CD . LYS A 1 248 ? -13.123 -18.674 51.050 1.00 85.09 ? 248 LYS A CD 1 -ATOM 1993 C CE . LYS A 1 248 ? -12.691 -20.128 51.242 1.00 89.18 ? 248 LYS A CE 1 -ATOM 1994 N NZ . LYS A 1 248 ? -12.178 -20.403 52.609 1.00 95.88 ? 248 LYS A NZ 1 -ATOM 1995 N N . GLU A 1 249 ? -15.851 -14.903 47.774 1.00 58.44 ? 249 GLU A N 1 -ATOM 1996 C CA . GLU A 1 249 ? -16.837 -13.851 47.624 1.00 59.70 ? 249 GLU A CA 1 -ATOM 1997 C C . GLU A 1 249 ? -17.669 -14.067 46.360 1.00 57.91 ? 249 GLU A C 1 -ATOM 1998 O O . GLU A 1 249 ? -18.893 -14.013 46.414 1.00 60.25 ? 249 GLU A O 1 -ATOM 1999 C CB . GLU A 1 249 ? -16.165 -12.473 47.648 1.00 61.12 ? 249 GLU A CB 1 -ATOM 2000 C CG . GLU A 1 249 ? -17.060 -11.283 47.256 1.00 75.87 ? 249 GLU A CG 1 -ATOM 2001 C CD . GLU A 1 249 ? -18.294 -11.096 48.152 1.00 90.03 ? 249 GLU A CD 1 -ATOM 2002 O OE1 . GLU A 1 249 ? -18.364 -11.708 49.244 1.00 89.67 ? 249 GLU A OE1 1 -ATOM 2003 O OE2 . GLU A 1 249 ? -19.199 -10.322 47.755 1.00 93.09 ? 249 GLU A OE2 1 -ATOM 2004 N N . VAL A 1 250 ? -17.012 -14.334 45.234 1.00 56.43 ? 250 VAL A N 1 -ATOM 2005 C CA . VAL A 1 250 ? -17.713 -14.575 43.974 1.00 55.00 ? 250 VAL A CA 1 -ATOM 2006 C C . VAL A 1 250 ? -18.674 -15.763 44.072 1.00 57.46 ? 250 VAL A C 1 -ATOM 2007 O O . VAL A 1 250 ? -19.791 -15.714 43.539 1.00 58.60 ? 250 VAL A O 1 -ATOM 2008 C CB . VAL A 1 250 ? -16.737 -14.824 42.803 1.00 54.77 ? 250 VAL A CB 1 -ATOM 2009 C CG1 . VAL A 1 250 ? -17.480 -15.375 41.593 1.00 50.83 ? 250 VAL A CG1 1 -ATOM 2010 C CG2 . VAL A 1 250 ? -15.997 -13.550 42.438 1.00 54.72 ? 250 VAL A CG2 1 -ATOM 2011 N N . THR A 1 251 ? -18.247 -16.832 44.742 1.00 56.13 ? 251 THR A N 1 -ATOM 2012 C CA . THR A 1 251 ? -19.127 -17.987 44.913 1.00 55.10 ? 251 THR A CA 1 -ATOM 2013 C C . THR A 1 251 ? -20.341 -17.620 45.757 1.00 55.00 ? 251 THR A C 1 -ATOM 2014 O O . THR A 1 251 ? -21.454 -17.997 45.423 1.00 58.48 ? 251 THR A O 1 -ATOM 2015 C CB . THR A 1 251 ? -18.396 -19.220 45.496 1.00 53.54 ? 251 THR A CB 1 -ATOM 2016 O OG1 . THR A 1 251 ? -17.404 -19.654 44.568 1.00 58.06 ? 251 THR A OG1 1 -ATOM 2017 C CG2 . THR A 1 251 ? -19.363 -20.374 45.742 1.00 46.70 ? 251 THR A CG2 1 -ATOM 2018 N N . ARG A 1 252 ? -20.128 -16.879 46.840 1.00 56.43 ? 252 ARG A N 1 -ATOM 2019 C CA . ARG A 1 252 ? -21.232 -16.458 47.701 1.00 57.53 ? 252 ARG A CA 1 -ATOM 2020 C C . ARG A 1 252 ? -22.222 -15.634 46.880 1.00 56.67 ? 252 ARG A C 1 -ATOM 2021 O O . ARG A 1 252 ? -23.407 -15.959 46.823 1.00 57.22 ? 252 ARG A O 1 -ATOM 2022 C CB . ARG A 1 252 ? -20.723 -15.671 48.916 1.00 58.11 ? 252 ARG A CB 1 -ATOM 2023 C CG . ARG A 1 252 ? -21.712 -15.576 50.068 1.00 62.10 ? 252 ARG A CG 1 -ATOM 2024 C CD . ARG A 1 252 ? -21.191 -14.677 51.187 1.00 80.28 ? 252 ARG A CD 1 -ATOM 2025 N NE . ARG A 1 252 ? -20.863 -13.325 50.716 1.00 93.28 ? 252 ARG A NE 1 -ATOM 2026 C CZ . ARG A 1 252 ? -21.554 -12.220 51.004 1.00 94.65 ? 252 ARG A CZ 1 -ATOM 2027 N NH1 . ARG A 1 252 ? -22.635 -12.274 51.781 1.00 98.25 ? 252 ARG A NH1 1 -ATOM 2028 N NH2 . ARG A 1 252 ? -21.156 -11.049 50.518 1.00 87.11 ? 252 ARG A NH2 1 -ATOM 2029 N N . MET A 1 253 ? -21.731 -14.593 46.218 1.00 54.18 ? 253 MET A N 1 -ATOM 2030 C CA . MET A 1 253 ? -22.578 -13.813 45.332 1.00 58.09 ? 253 MET A CA 1 -ATOM 2031 C C . MET A 1 253 ? -23.401 -14.649 44.338 1.00 59.54 ? 253 MET A C 1 -ATOM 2032 O O . MET A 1 253 ? -24.595 -14.394 44.161 1.00 62.97 ? 253 MET A O 1 -ATOM 2033 C CB . MET A 1 253 ? -21.769 -12.754 44.579 1.00 57.91 ? 253 MET A CB 1 -ATOM 2034 C CG . MET A 1 253 ? -21.459 -11.523 45.405 1.00 62.96 ? 253 MET A CG 1 -ATOM 2035 S SD . MET A 1 253 ? -22.947 -10.741 46.059 1.00 69.30 ? 253 MET A SD 1 -ATOM 2036 C CE . MET A 1 253 ? -23.910 -10.518 44.557 1.00 58.33 ? 253 MET A CE 1 -ATOM 2037 N N . VAL A 1 254 ? -22.784 -15.624 43.677 1.00 57.49 ? 254 VAL A N 1 -ATOM 2038 C CA . VAL A 1 254 ? -23.520 -16.392 42.672 1.00 58.57 ? 254 VAL A CA 1 -ATOM 2039 C C . VAL A 1 254 ? -24.664 -17.198 43.314 1.00 58.62 ? 254 VAL A C 1 -ATOM 2040 O O . VAL A 1 254 ? -25.753 -17.328 42.741 1.00 58.23 ? 254 VAL A O 1 -ATOM 2041 C CB . VAL A 1 254 ? -22.584 -17.272 41.787 1.00 60.54 ? 254 VAL A CB 1 -ATOM 2042 C CG1 . VAL A 1 254 ? -23.387 -18.252 40.927 1.00 54.77 ? 254 VAL A CG1 1 -ATOM 2043 C CG2 . VAL A 1 254 ? -21.724 -16.387 40.891 1.00 58.76 ? 254 VAL A CG2 1 -ATOM 2044 N N . ILE A 1 255 ? -24.422 -17.711 44.514 1.00 56.58 ? 255 ILE A N 1 -ATOM 2045 C CA . ILE A 1 255 ? -25.459 -18.420 45.252 1.00 56.08 ? 255 ILE A CA 1 -ATOM 2046 C C . ILE A 1 255 ? -26.621 -17.481 45.617 1.00 57.29 ? 255 ILE A C 1 -ATOM 2047 O O . ILE A 1 255 ? -27.798 -17.831 45.461 1.00 59.09 ? 255 ILE A O 1 -ATOM 2048 C CB . ILE A 1 255 ? -24.879 -19.135 46.492 1.00 55.56 ? 255 ILE A CB 1 -ATOM 2049 C CG1 . ILE A 1 255 ? -23.826 -20.163 46.036 1.00 53.89 ? 255 ILE A CG1 1 -ATOM 2050 C CG2 . ILE A 1 255 ? -26.006 -19.779 47.328 1.00 51.28 ? 255 ILE A CG2 1 -ATOM 2051 C CD1 . ILE A 1 255 ? -23.331 -21.120 47.114 1.00 49.15 ? 255 ILE A CD1 1 -ATOM 2052 N N . ILE A 1 256 ? -26.282 -16.278 46.073 1.00 55.73 ? 256 ILE A N 1 -ATOM 2053 C CA . ILE A 1 256 ? -27.273 -15.247 46.355 1.00 51.79 ? 256 ILE A CA 1 -ATOM 2054 C C . ILE A 1 256 ? -28.049 -14.832 45.102 1.00 52.77 ? 256 ILE A C 1 -ATOM 2055 O O . ILE A 1 256 ? -29.271 -14.774 45.138 1.00 54.12 ? 256 ILE A O 1 -ATOM 2056 C CB . ILE A 1 256 ? -26.625 -14.024 47.024 1.00 52.35 ? 256 ILE A CB 1 -ATOM 2057 C CG1 . ILE A 1 256 ? -26.173 -14.402 48.441 1.00 50.94 ? 256 ILE A CG1 1 -ATOM 2058 C CG2 . ILE A 1 256 ? -27.587 -12.822 47.021 1.00 48.34 ? 256 ILE A CG2 1 -ATOM 2059 C CD1 . ILE A 1 256 ? -25.068 -13.536 48.990 1.00 47.16 ? 256 ILE A CD1 1 -ATOM 2060 N N . MET A 1 257 ? -27.352 -14.562 43.997 1.00 52.95 ? 257 MET A N 1 -ATOM 2061 C CA . MET A 1 257 ? -28.019 -14.156 42.753 1.00 53.01 ? 257 MET A CA 1 -ATOM 2062 C C . MET A 1 257 ? -28.947 -15.221 42.202 1.00 53.92 ? 257 MET A C 1 -ATOM 2063 O O . MET A 1 257 ? -30.032 -14.910 41.720 1.00 53.87 ? 257 MET A O 1 -ATOM 2064 C CB . MET A 1 257 ? -27.012 -13.795 41.671 1.00 53.00 ? 257 MET A CB 1 -ATOM 2065 C CG . MET A 1 257 ? -26.443 -12.405 41.778 1.00 52.82 ? 257 MET A CG 1 -ATOM 2066 S SD . MET A 1 257 ? -25.040 -12.229 40.664 1.00 57.04 ? 257 MET A SD 1 -ATOM 2067 C CE . MET A 1 257 ? -24.553 -10.527 41.018 1.00 69.94 ? 257 MET A CE 1 -ATOM 2068 N N . VAL A 1 258 ? -28.513 -16.476 42.260 1.00 54.16 ? 258 VAL A N 1 -ATOM 2069 C CA . VAL A 1 258 ? -29.296 -17.563 41.687 1.00 54.46 ? 258 VAL A CA 1 -ATOM 2070 C C . VAL A 1 258 ? -30.518 -17.846 42.562 1.00 55.48 ? 258 VAL A C 1 -ATOM 2071 O O . VAL A 1 258 ? -31.651 -17.805 42.067 1.00 56.30 ? 258 VAL A O 1 -ATOM 2072 C CB . VAL A 1 258 ? -28.416 -18.816 41.361 1.00 54.90 ? 258 VAL A CB 1 -ATOM 2073 C CG1 . VAL A 1 258 ? -29.212 -20.104 41.386 1.00 52.78 ? 258 VAL A CG1 1 -ATOM 2074 C CG2 . VAL A 1 258 ? -27.776 -18.640 40.006 1.00 53.18 ? 258 VAL A CG2 1 -ATOM 2075 N N . ILE A 1 259 ? -30.302 -18.094 43.854 1.00 53.26 ? 259 ILE A N 1 -ATOM 2076 C CA . ILE A 1 259 ? -31.423 -18.215 44.792 1.00 54.95 ? 259 ILE A CA 1 -ATOM 2077 C C . ILE A 1 259 ? -32.421 -17.046 44.690 1.00 55.85 ? 259 ILE A C 1 -ATOM 2078 O O . ILE A 1 259 ? -33.636 -17.246 44.759 1.00 55.74 ? 259 ILE A O 1 -ATOM 2079 C CB . ILE A 1 259 ? -30.943 -18.308 46.248 1.00 57.08 ? 259 ILE A CB 1 -ATOM 2080 C CG1 . ILE A 1 259 ? -30.284 -19.668 46.503 1.00 58.99 ? 259 ILE A CG1 1 -ATOM 2081 C CG2 . ILE A 1 259 ? -32.112 -18.060 47.209 1.00 46.60 ? 259 ILE A CG2 1 -ATOM 2082 C CD1 . ILE A 1 259 ? -29.764 -19.829 47.912 1.00 58.89 ? 259 ILE A CD1 1 -ATOM 2083 N N . ALA A 1 260 ? -31.899 -15.831 44.533 1.00 55.71 ? 260 ALA A N 1 -ATOM 2084 C CA . ALA A 1 260 ? -32.723 -14.629 44.437 1.00 54.64 ? 260 ALA A CA 1 -ATOM 2085 C C . ALA A 1 260 ? -33.546 -14.596 43.153 1.00 55.57 ? 260 ALA A C 1 -ATOM 2086 O O . ALA A 1 260 ? -34.671 -14.087 43.137 1.00 56.33 ? 260 ALA A O 1 -ATOM 2087 C CB . ALA A 1 260 ? -31.863 -13.381 44.541 1.00 52.97 ? 260 ALA A CB 1 -ATOM 2088 N N . PHE A 1 261 ? -32.989 -15.125 42.070 1.00 54.24 ? 261 PHE A N 1 -ATOM 2089 C CA . PHE A 1 261 ? -33.743 -15.186 40.832 1.00 54.03 ? 261 PHE A CA 1 -ATOM 2090 C C . PHE A 1 261 ? -34.865 -16.213 40.994 1.00 55.37 ? 261 PHE A C 1 -ATOM 2091 O O . PHE A 1 261 ? -35.991 -15.998 40.532 1.00 55.16 ? 261 PHE A O 1 -ATOM 2092 C CB . PHE A 1 261 ? -32.840 -15.538 39.657 1.00 52.17 ? 261 PHE A CB 1 -ATOM 2093 C CG . PHE A 1 261 ? -33.542 -15.547 38.341 1.00 49.53 ? 261 PHE A CG 1 -ATOM 2094 C CD1 . PHE A 1 261 ? -33.703 -14.374 37.617 1.00 57.22 ? 261 PHE A CD1 1 -ATOM 2095 C CD2 . PHE A 1 261 ? -34.035 -16.730 37.812 1.00 55.01 ? 261 PHE A CD2 1 -ATOM 2096 C CE1 . PHE A 1 261 ? -34.349 -14.374 36.380 1.00 50.76 ? 261 PHE A CE1 1 -ATOM 2097 C CE2 . PHE A 1 261 ? -34.685 -16.745 36.580 1.00 54.01 ? 261 PHE A CE2 1 -ATOM 2098 C CZ . PHE A 1 261 ? -34.838 -15.563 35.863 1.00 53.25 ? 261 PHE A CZ 1 -ATOM 2099 N N . LEU A 1 262 ? -34.559 -17.318 41.671 1.00 54.43 ? 262 LEU A N 1 -ATOM 2100 C CA . LEU A 1 262 ? -35.561 -18.344 41.908 1.00 54.35 ? 262 LEU A CA 1 -ATOM 2101 C C . LEU A 1 262 ? -36.703 -17.784 42.731 1.00 56.45 ? 262 LEU A C 1 -ATOM 2102 O O . LEU A 1 262 ? -37.849 -17.805 42.284 1.00 57.94 ? 262 LEU A O 1 -ATOM 2103 C CB . LEU A 1 262 ? -34.958 -19.585 42.570 1.00 52.50 ? 262 LEU A CB 1 -ATOM 2104 C CG . LEU A 1 262 ? -34.113 -20.499 41.663 1.00 57.19 ? 262 LEU A CG 1 -ATOM 2105 C CD1 . LEU A 1 262 ? -33.618 -21.720 42.430 1.00 48.81 ? 262 LEU A CD1 1 -ATOM 2106 C CD2 . LEU A 1 262 ? -34.847 -20.915 40.356 1.00 50.04 ? 262 LEU A CD2 1 -ATOM 2107 N N . ILE A 1 263 ? -36.396 -17.263 43.921 1.00 58.70 ? 263 ILE A N 1 -ATOM 2108 C CA . ILE A 1 263 ? -37.429 -16.686 44.787 1.00 58.59 ? 263 ILE A CA 1 -ATOM 2109 C C . ILE A 1 263 ? -38.341 -15.717 44.008 1.00 58.62 ? 263 ILE A C 1 -ATOM 2110 O O . ILE A 1 263 ? -39.560 -15.705 44.177 1.00 58.08 ? 263 ILE A O 1 -ATOM 2111 C CB . ILE A 1 263 ? -36.821 -15.971 46.012 1.00 59.38 ? 263 ILE A CB 1 -ATOM 2112 C CG1 . ILE A 1 263 ? -36.237 -16.986 47.005 1.00 59.85 ? 263 ILE A CG1 1 -ATOM 2113 C CG2 . ILE A 1 263 ? -37.883 -15.142 46.718 1.00 61.00 ? 263 ILE A CG2 1 -ATOM 2114 C CD1 . ILE A 1 263 ? -35.365 -16.354 48.122 1.00 44.80 ? 263 ILE A CD1 1 -ATOM 2115 N N . CYS A 1 264 ? -37.751 -14.916 43.135 1.00 57.29 ? 264 CYS A N 1 -ATOM 2116 C CA . CYS A 1 264 ? -38.525 -13.910 42.433 1.00 54.62 ? 264 CYS A CA 1 -ATOM 2117 C C . CYS A 1 264 ? -39.491 -14.451 41.387 1.00 55.43 ? 264 CYS A C 1 -ATOM 2118 O O . CYS A 1 264 ? -40.589 -13.929 41.248 1.00 56.47 ? 264 CYS A O 1 -ATOM 2119 C CB . CYS A 1 264 ? -37.609 -12.884 41.784 1.00 52.73 ? 264 CYS A CB 1 -ATOM 2120 S SG . CYS A 1 264 ? -38.521 -11.746 40.760 1.00 51.40 ? 264 CYS A SG 1 -ATOM 2121 N N . TRP A 1 265 ? -39.086 -15.468 40.629 1.00 58.10 ? 265 TRP A N 1 -ATOM 2122 C CA . TRP A 1 265 ? -39.913 -15.937 39.506 1.00 59.22 ? 265 TRP A CA 1 -ATOM 2123 C C . TRP A 1 265 ? -40.454 -17.372 39.631 1.00 61.15 ? 265 TRP A C 1 -ATOM 2124 O O . TRP A 1 265 ? -41.404 -17.736 38.933 1.00 60.39 ? 265 TRP A O 1 -ATOM 2125 C CB . TRP A 1 265 ? -39.183 -15.777 38.171 1.00 58.62 ? 265 TRP A CB 1 -ATOM 2126 C CG . TRP A 1 265 ? -38.766 -14.375 37.840 1.00 56.78 ? 265 TRP A CG 1 -ATOM 2127 C CD1 . TRP A 1 265 ? -37.489 -13.908 37.751 1.00 54.04 ? 265 TRP A CD1 1 -ATOM 2128 C CD2 . TRP A 1 265 ? -39.622 -13.261 37.535 1.00 57.57 ? 265 TRP A CD2 1 -ATOM 2129 N NE1 . TRP A 1 265 ? -37.490 -12.578 37.406 1.00 53.07 ? 265 TRP A NE1 1 -ATOM 2130 C CE2 . TRP A 1 265 ? -38.784 -12.153 37.270 1.00 53.91 ? 265 TRP A CE2 1 -ATOM 2131 C CE3 . TRP A 1 265 ? -41.011 -13.093 37.456 1.00 59.78 ? 265 TRP A CE3 1 -ATOM 2132 C CZ2 . TRP A 1 265 ? -39.287 -10.889 36.945 1.00 54.61 ? 265 TRP A CZ2 1 -ATOM 2133 C CZ3 . TRP A 1 265 ? -41.514 -11.835 37.124 1.00 60.02 ? 265 TRP A CZ3 1 -ATOM 2134 C CH2 . TRP A 1 265 ? -40.652 -10.750 36.874 1.00 62.76 ? 265 TRP A CH2 1 -ATOM 2135 N N . LEU A 1 266 ? -39.862 -18.183 40.507 1.00 62.80 ? 266 LEU A N 1 -ATOM 2136 C CA . LEU A 1 266 ? -40.301 -19.572 40.648 1.00 64.31 ? 266 LEU A CA 1 -ATOM 2137 C C . LEU A 1 266 ? -41.800 -19.652 40.952 1.00 67.07 ? 266 LEU A C 1 -ATOM 2138 O O . LEU A 1 266 ? -42.513 -20.436 40.325 1.00 69.14 ? 266 LEU A O 1 -ATOM 2139 C CB . LEU A 1 266 ? -39.478 -20.344 41.692 1.00 62.11 ? 266 LEU A CB 1 -ATOM 2140 C CG . LEU A 1 266 ? -39.713 -21.865 41.702 1.00 62.39 ? 266 LEU A CG 1 -ATOM 2141 C CD1 . LEU A 1 266 ? -39.366 -22.440 40.336 1.00 54.90 ? 266 LEU A CD1 1 -ATOM 2142 C CD2 . LEU A 1 266 ? -38.952 -22.609 42.829 1.00 49.10 ? 266 LEU A CD2 1 -ATOM 2143 N N . PRO A 1 267 ? -42.283 -18.835 41.908 1.00 68.41 ? 267 PRO A N 1 -ATOM 2144 C CA . PRO A 1 267 ? -43.700 -18.825 42.243 1.00 67.56 ? 267 PRO A CA 1 -ATOM 2145 C C . PRO A 1 267 ? -44.618 -18.618 41.036 1.00 66.64 ? 267 PRO A C 1 -ATOM 2146 O O . PRO A 1 267 ? -45.526 -19.416 40.838 1.00 66.68 ? 267 PRO A O 1 -ATOM 2147 C CB . PRO A 1 267 ? -43.804 -17.659 43.224 1.00 68.73 ? 267 PRO A CB 1 -ATOM 2148 C CG . PRO A 1 267 ? -42.501 -17.691 43.927 1.00 66.64 ? 267 PRO A CG 1 -ATOM 2149 C CD . PRO A 1 267 ? -41.518 -17.968 42.824 1.00 68.93 ? 267 PRO A CD 1 -ATOM 2150 N N . TYR A 1 268 ? -44.397 -17.573 40.241 1.00 65.76 ? 268 TYR A N 1 -ATOM 2151 C CA . TYR A 1 268 ? -45.207 -17.382 39.034 1.00 67.03 ? 268 TYR A CA 1 -ATOM 2152 C C . TYR A 1 268 ? -45.175 -18.613 38.130 1.00 67.58 ? 268 TYR A C 1 -ATOM 2153 O O . TYR A 1 268 ? -46.219 -19.082 37.677 1.00 67.64 ? 268 TYR A O 1 -ATOM 2154 C CB . TYR A 1 268 ? -44.787 -16.136 38.243 1.00 66.97 ? 268 TYR A CB 1 -ATOM 2155 C CG . TYR A 1 268 ? -45.649 -14.926 38.518 1.00 73.24 ? 268 TYR A CG 1 -ATOM 2156 C CD1 . TYR A 1 268 ? -45.081 -13.714 38.910 1.00 75.12 ? 268 TYR A CD1 1 -ATOM 2157 C CD2 . TYR A 1 268 ? -47.040 -14.995 38.400 1.00 72.98 ? 268 TYR A CD2 1 -ATOM 2158 C CE1 . TYR A 1 268 ? -45.875 -12.602 39.171 1.00 75.81 ? 268 TYR A CE1 1 -ATOM 2159 C CE2 . TYR A 1 268 ? -47.838 -13.895 38.656 1.00 72.37 ? 268 TYR A CE2 1 -ATOM 2160 C CZ . TYR A 1 268 ? -47.251 -12.701 39.040 1.00 76.62 ? 268 TYR A CZ 1 -ATOM 2161 O OH . TYR A 1 268 ? -48.042 -11.605 39.294 1.00 76.66 ? 268 TYR A OH 1 -ATOM 2162 N N . ALA A 1 269 ? -43.975 -19.131 37.880 1.00 67.55 ? 269 ALA A N 1 -ATOM 2163 C CA . ALA A 1 269 ? -43.796 -20.306 37.038 1.00 66.67 ? 269 ALA A CA 1 -ATOM 2164 C C . ALA A 1 269 ? -44.408 -21.563 37.675 1.00 67.67 ? 269 ALA A C 1 -ATOM 2165 O O . ALA A 1 269 ? -45.155 -22.291 37.024 1.00 66.95 ? 269 ALA A O 1 -ATOM 2166 C CB . ALA A 1 269 ? -42.321 -20.515 36.745 1.00 66.54 ? 269 ALA A CB 1 -ATOM 2167 N N . GLY A 1 270 ? -44.088 -21.811 38.946 1.00 68.08 ? 270 GLY A N 1 -ATOM 2168 C CA . GLY A 1 270 ? -44.609 -22.969 39.669 1.00 67.72 ? 270 GLY A CA 1 -ATOM 2169 C C . GLY A 1 270 ? -46.123 -23.017 39.627 1.00 69.64 ? 270 GLY A C 1 -ATOM 2170 O O . GLY A 1 270 ? -46.716 -24.010 39.206 1.00 71.57 ? 270 GLY A O 1 -ATOM 2171 N N . VAL A 1 271 ? -46.747 -21.929 40.064 1.00 69.67 ? 271 VAL A N 1 -ATOM 2172 C CA . VAL A 1 271 ? -48.193 -21.771 40.011 1.00 66.95 ? 271 VAL A CA 1 -ATOM 2173 C C . VAL A 1 271 ? -48.745 -21.917 38.583 1.00 68.69 ? 271 VAL A C 1 -ATOM 2174 O O . VAL A 1 271 ? -49.664 -22.701 38.356 1.00 69.66 ? 271 VAL A O 1 -ATOM 2175 C CB . VAL A 1 271 ? -48.602 -20.427 40.633 1.00 65.20 ? 271 VAL A CB 1 -ATOM 2176 C CG1 . VAL A 1 271 ? -50.012 -20.029 40.215 1.00 66.85 ? 271 VAL A CG1 1 -ATOM 2177 C CG2 . VAL A 1 271 ? -48.462 -20.495 42.146 1.00 61.84 ? 271 VAL A CG2 1 -ATOM 2178 N N . ALA A 1 272 ? -48.185 -21.182 37.624 1.00 69.08 ? 272 ALA A N 1 -ATOM 2179 C CA . ALA A 1 272 ? -48.633 -21.287 36.231 1.00 69.86 ? 272 ALA A CA 1 -ATOM 2180 C C . ALA A 1 272 ? -48.624 -22.731 35.753 1.00 71.20 ? 272 ALA A C 1 -ATOM 2181 O O . ALA A 1 272 ? -49.546 -23.175 35.067 1.00 72.75 ? 272 ALA A O 1 -ATOM 2182 C CB . ALA A 1 272 ? -47.771 -20.432 35.311 1.00 68.46 ? 272 ALA A CB 1 -ATOM 2183 N N . PHE A 1 273 ? -47.571 -23.453 36.118 1.00 72.45 ? 273 PHE A N 1 -ATOM 2184 C CA . PHE A 1 273 ? -47.379 -24.835 35.694 1.00 74.22 ? 273 PHE A CA 1 -ATOM 2185 C C . PHE A 1 273 ? -48.456 -25.733 36.291 1.00 75.57 ? 273 PHE A C 1 -ATOM 2186 O O . PHE A 1 273 ? -49.024 -26.572 35.600 1.00 76.04 ? 273 PHE A O 1 -ATOM 2187 C CB . PHE A 1 273 ? -45.987 -25.312 36.118 1.00 74.43 ? 273 PHE A CB 1 -ATOM 2188 C CG . PHE A 1 273 ? -45.656 -26.717 35.693 1.00 73.72 ? 273 PHE A CG 1 -ATOM 2189 C CD1 . PHE A 1 273 ? -45.157 -26.974 34.414 1.00 75.31 ? 273 PHE A CD1 1 -ATOM 2190 C CD2 . PHE A 1 273 ? -45.811 -27.780 36.582 1.00 69.96 ? 273 PHE A CD2 1 -ATOM 2191 C CE1 . PHE A 1 273 ? -44.835 -28.267 34.018 1.00 66.91 ? 273 PHE A CE1 1 -ATOM 2192 C CE2 . PHE A 1 273 ? -45.497 -29.080 36.195 1.00 67.07 ? 273 PHE A CE2 1 -ATOM 2193 C CZ . PHE A 1 273 ? -45.004 -29.321 34.912 1.00 68.83 ? 273 PHE A CZ 1 -ATOM 2194 N N . TYR A 1 274 ? -48.734 -25.543 37.576 1.00 76.98 ? 274 TYR A N 1 -ATOM 2195 C CA . TYR A 1 274 ? -49.726 -26.343 38.284 1.00 77.82 ? 274 TYR A CA 1 -ATOM 2196 C C . TYR A 1 274 ? -51.112 -26.204 37.657 1.00 78.40 ? 274 TYR A C 1 -ATOM 2197 O O . TYR A 1 274 ? -51.779 -27.199 37.414 1.00 79.04 ? 274 TYR A O 1 -ATOM 2198 C CB . TYR A 1 274 ? -49.764 -25.937 39.753 1.00 77.18 ? 274 TYR A CB 1 -ATOM 2199 C CG . TYR A 1 274 ? -50.659 -26.790 40.608 1.00 81.63 ? 274 TYR A CG 1 -ATOM 2200 C CD1 . TYR A 1 274 ? -50.132 -27.817 41.388 1.00 87.13 ? 274 TYR A CD1 1 -ATOM 2201 C CD2 . TYR A 1 274 ? -52.033 -26.567 40.650 1.00 84.29 ? 274 TYR A CD2 1 -ATOM 2202 C CE1 . TYR A 1 274 ? -50.951 -28.606 42.188 1.00 87.69 ? 274 TYR A CE1 1 -ATOM 2203 C CE2 . TYR A 1 274 ? -52.862 -27.350 41.444 1.00 88.64 ? 274 TYR A CE2 1 -ATOM 2204 C CZ . TYR A 1 274 ? -52.313 -28.368 42.210 1.00 91.07 ? 274 TYR A CZ 1 -ATOM 2205 O OH . TYR A 1 274 ? -53.127 -29.148 42.999 1.00 96.19 ? 274 TYR A OH 1 -ATOM 2206 N N . ILE A 1 275 ? -51.531 -24.969 37.394 1.00 79.34 ? 275 ILE A N 1 -ATOM 2207 C CA . ILE A 1 275 ? -52.808 -24.693 36.722 1.00 79.98 ? 275 ILE A CA 1 -ATOM 2208 C C . ILE A 1 275 ? -52.891 -25.314 35.324 1.00 82.82 ? 275 ILE A C 1 -ATOM 2209 O O . ILE A 1 275 ? -53.957 -25.748 34.892 1.00 86.19 ? 275 ILE A O 1 -ATOM 2210 C CB . ILE A 1 275 ? -53.094 -23.163 36.645 1.00 79.07 ? 275 ILE A CB 1 -ATOM 2211 C CG1 . ILE A 1 275 ? -53.571 -22.655 38.005 1.00 74.66 ? 275 ILE A CG1 1 -ATOM 2212 C CG2 . ILE A 1 275 ? -54.127 -22.835 35.566 1.00 70.00 ? 275 ILE A CG2 1 -ATOM 2213 C CD1 . ILE A 1 275 ? -53.549 -21.170 38.122 1.00 74.33 ? 275 ILE A CD1 1 -ATOM 2214 N N . PHE A 1 276 ? -51.766 -25.348 34.622 1.00 85.07 ? 276 PHE A N 1 -ATOM 2215 C CA . PHE A 1 276 ? -51.704 -25.935 33.291 1.00 86.83 ? 276 PHE A CA 1 -ATOM 2216 C C . PHE A 1 276 ? -51.867 -27.451 33.388 1.00 89.90 ? 276 PHE A C 1 -ATOM 2217 O O . PHE A 1 276 ? -52.602 -28.050 32.614 1.00 90.69 ? 276 PHE A O 1 -ATOM 2218 C CB . PHE A 1 276 ? -50.367 -25.573 32.650 1.00 85.68 ? 276 PHE A CB 1 -ATOM 2219 C CG . PHE A 1 276 ? -50.293 -25.843 31.178 1.00 82.24 ? 276 PHE A CG 1 -ATOM 2220 C CD1 . PHE A 1 276 ? -50.681 -24.875 30.264 1.00 79.83 ? 276 PHE A CD1 1 -ATOM 2221 C CD2 . PHE A 1 276 ? -49.787 -27.050 30.703 1.00 81.70 ? 276 PHE A CD2 1 -ATOM 2222 C CE1 . PHE A 1 276 ? -50.589 -25.114 28.893 1.00 81.31 ? 276 PHE A CE1 1 -ATOM 2223 C CE2 . PHE A 1 276 ? -49.689 -27.299 29.338 1.00 77.73 ? 276 PHE A CE2 1 -ATOM 2224 C CZ . PHE A 1 276 ? -50.092 -26.331 28.432 1.00 80.61 ? 276 PHE A CZ 1 -ATOM 2225 N N . THR A 1 277 ? -51.190 -28.052 34.362 1.00 94.81 ? 277 THR A N 1 -ATOM 2226 C CA . THR A 1 277 ? -51.230 -29.494 34.603 1.00 98.65 ? 277 THR A CA 1 -ATOM 2227 C C . THR A 1 277 ? -52.554 -29.950 35.220 1.00 101.20 ? 277 THR A C 1 -ATOM 2228 O O . THR A 1 277 ? -53.020 -31.054 34.952 1.00 103.58 ? 277 THR A O 1 -ATOM 2229 C CB . THR A 1 277 ? -50.071 -29.934 35.532 1.00 98.32 ? 277 THR A CB 1 -ATOM 2230 O OG1 . THR A 1 277 ? -48.821 -29.555 34.951 1.00 99.60 ? 277 THR A OG1 1 -ATOM 2231 C CG2 . THR A 1 277 ? -50.074 -31.445 35.741 1.00 101.84 ? 277 THR A CG2 1 -ATOM 2232 N N . HIS A 1 278 ? -53.147 -29.104 36.057 1.00 104.11 ? 278 HIS A N 1 -ATOM 2233 C CA . HIS A 1 278 ? -54.397 -29.431 36.740 1.00 106.22 ? 278 HIS A CA 1 -ATOM 2234 C C . HIS A 1 278 ? -55.493 -28.500 36.246 1.00 109.92 ? 278 HIS A C 1 -ATOM 2235 O O . HIS A 1 278 ? -56.050 -27.718 37.026 1.00 111.81 ? 278 HIS A O 1 -ATOM 2236 C CB . HIS A 1 278 ? -54.240 -29.272 38.259 1.00 104.95 ? 278 HIS A CB 1 -ATOM 2237 C CG . HIS A 1 278 ? -53.209 -30.175 38.863 1.00 101.26 ? 278 HIS A CG 1 -ATOM 2238 N ND1 . HIS A 1 278 ? -51.928 -30.284 38.366 1.00 98.73 ? 278 HIS A ND1 1 -ATOM 2239 C CD2 . HIS A 1 278 ? -53.267 -30.998 39.936 1.00 100.21 ? 278 HIS A CD2 1 -ATOM 2240 C CE1 . HIS A 1 278 ? -51.246 -31.146 39.097 1.00 99.34 ? 278 HIS A CE1 1 -ATOM 2241 N NE2 . HIS A 1 278 ? -52.034 -31.593 40.057 1.00 99.98 ? 278 HIS A NE2 1 -ATOM 2242 N N . GLN A 1 279 ? -55.793 -28.574 34.951 1.00 112.68 ? 279 GLN A N 1 -ATOM 2243 C CA . GLN A 1 279 ? -56.748 -27.657 34.328 1.00 115.70 ? 279 GLN A CA 1 -ATOM 2244 C C . GLN A 1 279 ? -58.035 -27.528 35.150 1.00 115.28 ? 279 GLN A C 1 -ATOM 2245 O O . GLN A 1 279 ? -58.651 -28.532 35.518 1.00 114.52 ? 279 GLN A O 1 -ATOM 2246 C CB . GLN A 1 279 ? -57.050 -28.089 32.885 1.00 117.27 ? 279 GLN A CB 1 -ATOM 2247 C CG . GLN A 1 279 ? -57.954 -27.126 32.097 1.00 125.03 ? 279 GLN A CG 1 -ATOM 2248 C CD . GLN A 1 279 ? -57.424 -25.693 32.050 1.00 133.10 ? 279 GLN A CD 1 -ATOM 2249 O OE1 . GLN A 1 279 ? -56.212 -25.459 32.032 1.00 135.10 ? 279 GLN A OE1 1 -ATOM 2250 N NE2 . GLN A 1 279 ? -58.340 -24.728 32.027 1.00 133.74 ? 279 GLN A NE2 1 -ATOM 2251 N N . GLY A 1 280 ? -58.420 -26.287 35.447 1.00 115.50 ? 280 GLY A N 1 -ATOM 2252 C CA . GLY A 1 280 ? -59.615 -26.010 36.243 1.00 114.76 ? 280 GLY A CA 1 -ATOM 2253 C C . GLY A 1 280 ? -59.444 -26.430 37.691 1.00 114.37 ? 280 GLY A C 1 -ATOM 2254 O O . GLY A 1 280 ? -59.611 -27.603 38.033 1.00 114.00 ? 280 GLY A O 1 -ATOM 2255 N N . SER A 1 281 ? -59.098 -25.472 38.547 1.00 113.11 ? 281 SER A N 1 -ATOM 2256 C CA . SER A 1 281 ? -58.916 -25.750 39.973 1.00 111.01 ? 281 SER A CA 1 -ATOM 2257 C C . SER A 1 281 ? -59.387 -24.580 40.833 1.00 107.56 ? 281 SER A C 1 -ATOM 2258 O O . SER A 1 281 ? -59.395 -23.432 40.390 1.00 106.95 ? 281 SER A O 1 -ATOM 2259 C CB . SER A 1 281 ? -57.448 -26.075 40.279 1.00 111.94 ? 281 SER A CB 1 -ATOM 2260 O OG . SER A 1 281 ? -57.017 -27.237 39.585 1.00 113.08 ? 281 SER A OG 1 -ATOM 2261 N N . ASP A 1 282 ? -59.787 -24.876 42.063 1.00 103.72 ? 282 ASP A N 1 -ATOM 2262 C CA . ASP A 1 282 ? -60.178 -23.827 42.990 1.00 100.52 ? 282 ASP A CA 1 -ATOM 2263 C C . ASP A 1 282 ? -58.948 -23.091 43.509 1.00 96.79 ? 282 ASP A C 1 -ATOM 2264 O O . ASP A 1 282 ? -58.287 -23.555 44.441 1.00 96.59 ? 282 ASP A O 1 -ATOM 2265 C CB . ASP A 1 282 ? -60.970 -24.400 44.169 1.00 101.64 ? 282 ASP A CB 1 -ATOM 2266 C CG . ASP A 1 282 ? -61.592 -23.312 45.040 1.00 106.10 ? 282 ASP A CG 1 -ATOM 2267 O OD1 . ASP A 1 282 ? -61.407 -22.115 44.730 1.00 111.53 ? 282 ASP A OD1 1 -ATOM 2268 O OD2 . ASP A 1 282 ? -62.271 -23.650 46.034 1.00 111.08 ? 282 ASP A OD2 1 -ATOM 2269 N N . PHE A 1 283 ? -58.640 -21.950 42.903 1.00 91.08 ? 283 PHE A N 1 -ATOM 2270 C CA . PHE A 1 283 ? -57.577 -21.094 43.416 1.00 86.36 ? 283 PHE A CA 1 -ATOM 2271 C C . PHE A 1 283 ? -58.083 -19.732 43.877 1.00 81.36 ? 283 PHE A C 1 -ATOM 2272 O O . PHE A 1 283 ? -58.603 -18.951 43.084 1.00 80.02 ? 283 PHE A O 1 -ATOM 2273 C CB . PHE A 1 283 ? -56.429 -20.964 42.411 1.00 87.50 ? 283 PHE A CB 1 -ATOM 2274 C CG . PHE A 1 283 ? -55.340 -21.980 42.619 1.00 94.66 ? 283 PHE A CG 1 -ATOM 2275 C CD1 . PHE A 1 283 ? -54.601 -22.464 41.548 1.00 97.97 ? 283 PHE A CD1 1 -ATOM 2276 C CD2 . PHE A 1 283 ? -55.071 -22.474 43.900 1.00 97.38 ? 283 PHE A CD2 1 -ATOM 2277 C CE1 . PHE A 1 283 ? -53.601 -23.412 41.749 1.00 99.64 ? 283 PHE A CE1 1 -ATOM 2278 C CE2 . PHE A 1 283 ? -54.079 -23.425 44.110 1.00 95.07 ? 283 PHE A CE2 1 -ATOM 2279 C CZ . PHE A 1 283 ? -53.342 -23.895 43.034 1.00 97.14 ? 283 PHE A CZ 1 -ATOM 2280 N N . GLY A 1 284 ? -57.916 -19.457 45.167 1.00 76.78 ? 284 GLY A N 1 -ATOM 2281 C CA . GLY A 1 284 ? -58.442 -18.242 45.774 1.00 73.21 ? 284 GLY A CA 1 -ATOM 2282 C C . GLY A 1 284 ? -57.752 -16.958 45.355 1.00 71.09 ? 284 GLY A C 1 -ATOM 2283 O O . GLY A 1 284 ? -56.691 -16.987 44.738 1.00 72.27 ? 284 GLY A O 1 -ATOM 2284 N N . PRO A 1 285 ? -58.354 -15.810 45.700 1.00 69.25 ? 285 PRO A N 1 -ATOM 2285 C CA . PRO A 1 285 ? -57.815 -14.496 45.347 1.00 68.13 ? 285 PRO A CA 1 -ATOM 2286 C C . PRO A 1 285 ? -56.524 -14.140 46.100 1.00 67.29 ? 285 PRO A C 1 -ATOM 2287 O O . PRO A 1 285 ? -55.644 -13.495 45.529 1.00 65.56 ? 285 PRO A O 1 -ATOM 2288 C CB . PRO A 1 285 ? -58.944 -13.542 45.748 1.00 68.16 ? 285 PRO A CB 1 -ATOM 2289 C CG . PRO A 1 285 ? -59.672 -14.269 46.829 1.00 67.41 ? 285 PRO A CG 1 -ATOM 2290 C CD . PRO A 1 285 ? -59.619 -15.708 46.448 1.00 66.95 ? 285 PRO A CD 1 -ATOM 2291 N N . ILE A 1 286 ? -56.425 -14.544 47.367 1.00 65.65 ? 286 ILE A N 1 -ATOM 2292 C CA . ILE A 1 286 ? -55.228 -14.291 48.175 1.00 65.77 ? 286 ILE A CA 1 -ATOM 2293 C C . ILE A 1 286 ? -54.048 -15.142 47.670 1.00 65.65 ? 286 ILE A C 1 -ATOM 2294 O O . ILE A 1 286 ? -52.961 -14.623 47.400 1.00 63.10 ? 286 ILE A O 1 -ATOM 2295 C CB . ILE A 1 286 ? -55.490 -14.572 49.691 1.00 66.58 ? 286 ILE A CB 1 -ATOM 2296 C CG1 . ILE A 1 286 ? -56.637 -13.702 50.228 1.00 67.17 ? 286 ILE A CG1 1 -ATOM 2297 C CG2 . ILE A 1 286 ? -54.203 -14.440 50.526 1.00 61.92 ? 286 ILE A CG2 1 -ATOM 2298 C CD1 . ILE A 1 286 ? -56.224 -12.385 50.833 1.00 71.42 ? 286 ILE A CD1 1 -ATOM 2299 N N . PHE A 1 287 ? -54.275 -16.445 47.540 1.00 64.11 ? 287 PHE A N 1 -ATOM 2300 C CA . PHE A 1 287 ? -53.261 -17.358 47.027 1.00 64.69 ? 287 PHE A CA 1 -ATOM 2301 C C . PHE A 1 287 ? -52.752 -16.930 45.635 1.00 65.05 ? 287 PHE A C 1 -ATOM 2302 O O . PHE A 1 287 ? -51.578 -17.113 45.305 1.00 66.27 ? 287 PHE A O 1 -ATOM 2303 C CB . PHE A 1 287 ? -53.812 -18.792 47.010 1.00 64.50 ? 287 PHE A CB 1 -ATOM 2304 C CG . PHE A 1 287 ? -53.013 -19.746 46.169 1.00 65.25 ? 287 PHE A CG 1 -ATOM 2305 C CD1 . PHE A 1 287 ? -52.213 -20.715 46.770 1.00 64.87 ? 287 PHE A CD1 1 -ATOM 2306 C CD2 . PHE A 1 287 ? -53.063 -19.679 44.775 1.00 61.08 ? 287 PHE A CD2 1 -ATOM 2307 C CE1 . PHE A 1 287 ? -51.464 -21.599 45.996 1.00 65.18 ? 287 PHE A CE1 1 -ATOM 2308 C CE2 . PHE A 1 287 ? -52.314 -20.549 43.994 1.00 65.48 ? 287 PHE A CE2 1 -ATOM 2309 C CZ . PHE A 1 287 ? -51.510 -21.514 44.604 1.00 62.52 ? 287 PHE A CZ 1 -ATOM 2310 N N . MET A 1 288 ? -53.631 -16.352 44.825 1.00 63.45 ? 288 MET A N 1 -ATOM 2311 C CA . MET A 1 288 ? -53.229 -15.859 43.514 1.00 62.76 ? 288 MET A CA 1 -ATOM 2312 C C . MET A 1 288 ? -52.444 -14.547 43.608 1.00 63.01 ? 288 MET A C 1 -ATOM 2313 O O . MET A 1 288 ? -51.911 -14.055 42.612 1.00 62.91 ? 288 MET A O 1 -ATOM 2314 C CB . MET A 1 288 ? -54.448 -15.700 42.595 1.00 63.60 ? 288 MET A CB 1 -ATOM 2315 C CG . MET A 1 288 ? -55.035 -17.015 42.103 1.00 61.81 ? 288 MET A CG 1 -ATOM 2316 S SD . MET A 1 288 ? -53.856 -18.031 41.170 1.00 65.86 ? 288 MET A SD 1 -ATOM 2317 C CE . MET A 1 288 ? -54.039 -17.332 39.524 1.00 60.95 ? 288 MET A CE 1 -ATOM 2318 N N . THR A 1 289 ? -52.374 -13.981 44.810 1.00 64.41 ? 289 THR A N 1 -ATOM 2319 C CA . THR A 1 289 ? -51.587 -12.766 45.038 1.00 64.43 ? 289 THR A CA 1 -ATOM 2320 C C . THR A 1 289 ? -50.120 -13.095 45.397 1.00 65.04 ? 289 THR A C 1 -ATOM 2321 O O . THR A 1 289 ? -49.224 -12.264 45.195 1.00 63.75 ? 289 THR A O 1 -ATOM 2322 C CB . THR A 1 289 ? -52.245 -11.835 46.103 1.00 62.63 ? 289 THR A CB 1 -ATOM 2323 O OG1 . THR A 1 289 ? -53.554 -11.448 45.664 1.00 59.79 ? 289 THR A OG1 1 -ATOM 2324 C CG2 . THR A 1 289 ? -51.416 -10.571 46.317 1.00 64.01 ? 289 THR A CG2 1 -ATOM 2325 N N . ILE A 1 290 ? -49.888 -14.315 45.892 1.00 63.73 ? 290 ILE A N 1 -ATOM 2326 C CA . ILE A 1 290 ? -48.559 -14.758 46.324 1.00 63.62 ? 290 ILE A CA 1 -ATOM 2327 C C . ILE A 1 290 ? -47.461 -14.613 45.240 1.00 66.14 ? 290 ILE A C 1 -ATOM 2328 O O . ILE A 1 290 ? -46.423 -14.002 45.490 1.00 66.55 ? 290 ILE A O 1 -ATOM 2329 C CB . ILE A 1 290 ? -48.603 -16.197 46.907 1.00 62.26 ? 290 ILE A CB 1 -ATOM 2330 C CG1 . ILE A 1 290 ? -49.385 -16.212 48.226 1.00 65.63 ? 290 ILE A CG1 1 -ATOM 2331 C CG2 . ILE A 1 290 ? -47.193 -16.760 47.114 1.00 57.36 ? 290 ILE A CG2 1 -ATOM 2332 C CD1 . ILE A 1 290 ? -49.596 -17.624 48.836 1.00 61.82 ? 290 ILE A CD1 1 -ATOM 2333 N N . PRO A 1 291 ? -47.680 -15.166 44.033 1.00 67.04 ? 291 PRO A N 1 -ATOM 2334 C CA . PRO A 1 291 ? -46.654 -14.954 43.003 1.00 66.39 ? 291 PRO A CA 1 -ATOM 2335 C C . PRO A 1 291 ? -46.315 -13.475 42.763 1.00 65.63 ? 291 PRO A C 1 -ATOM 2336 O O . PRO A 1 291 ? -45.174 -13.154 42.428 1.00 68.97 ? 291 PRO A O 1 -ATOM 2337 C CB . PRO A 1 291 ? -47.270 -15.575 41.734 1.00 64.77 ? 291 PRO A CB 1 -ATOM 2338 C CG . PRO A 1 291 ? -48.692 -15.897 42.080 1.00 68.17 ? 291 PRO A CG 1 -ATOM 2339 C CD . PRO A 1 291 ? -48.760 -16.051 43.567 1.00 66.79 ? 291 PRO A CD 1 -ATOM 2340 N N . ALA A 1 292 ? -47.288 -12.583 42.930 1.00 63.63 ? 292 ALA A N 1 -ATOM 2341 C CA . ALA A 1 292 ? -47.054 -11.154 42.707 1.00 60.18 ? 292 ALA A CA 1 -ATOM 2342 C C . ALA A 1 292 ? -46.195 -10.564 43.817 1.00 58.57 ? 292 ALA A C 1 -ATOM 2343 O O . ALA A 1 292 ? -45.338 -9.722 43.570 1.00 57.05 ? 292 ALA A O 1 -ATOM 2344 C CB . ALA A 1 292 ? -48.369 -10.409 42.602 1.00 60.34 ? 292 ALA A CB 1 -ATOM 2345 N N . PHE A 1 293 ? -46.448 -11.013 45.044 1.00 57.82 ? 293 PHE A N 1 -ATOM 2346 C CA . PHE A 1 293 ? -45.718 -10.567 46.217 1.00 55.81 ? 293 PHE A CA 1 -ATOM 2347 C C . PHE A 1 293 ? -44.238 -10.856 45.999 1.00 56.27 ? 293 PHE A C 1 -ATOM 2348 O O . PHE A 1 293 ? -43.395 -9.963 46.143 1.00 58.04 ? 293 PHE A O 1 -ATOM 2349 C CB . PHE A 1 293 ? -46.284 -11.268 47.458 1.00 56.23 ? 293 PHE A CB 1 -ATOM 2350 C CG . PHE A 1 293 ? -45.294 -11.452 48.586 1.00 69.45 ? 293 PHE A CG 1 -ATOM 2351 C CD1 . PHE A 1 293 ? -45.297 -10.595 49.685 1.00 75.31 ? 293 PHE A CD1 1 -ATOM 2352 C CD2 . PHE A 1 293 ? -44.386 -12.512 48.576 1.00 72.56 ? 293 PHE A CD2 1 -ATOM 2353 C CE1 . PHE A 1 293 ? -44.393 -10.776 50.742 1.00 76.40 ? 293 PHE A CE1 1 -ATOM 2354 C CE2 . PHE A 1 293 ? -43.479 -12.693 49.628 1.00 77.10 ? 293 PHE A CE2 1 -ATOM 2355 C CZ . PHE A 1 293 ? -43.484 -11.824 50.711 1.00 71.38 ? 293 PHE A CZ 1 -ATOM 2356 N N . PHE A 1 294 ? -43.927 -12.089 45.604 1.00 54.88 ? 294 PHE A N 1 -ATOM 2357 C CA . PHE A 1 294 ? -42.545 -12.478 45.365 1.00 52.77 ? 294 PHE A CA 1 -ATOM 2358 C C . PHE A 1 294 ? -41.890 -11.673 44.237 1.00 54.03 ? 294 PHE A C 1 -ATOM 2359 O O . PHE A 1 294 ? -40.771 -11.173 44.405 1.00 55.45 ? 294 PHE A O 1 -ATOM 2360 C CB . PHE A 1 294 ? -42.424 -13.985 45.156 1.00 51.41 ? 294 PHE A CB 1 -ATOM 2361 C CG . PHE A 1 294 ? -42.458 -14.769 46.443 1.00 57.56 ? 294 PHE A CG 1 -ATOM 2362 C CD1 . PHE A 1 294 ? -41.299 -14.959 47.188 1.00 55.36 ? 294 PHE A CD1 1 -ATOM 2363 C CD2 . PHE A 1 294 ? -43.651 -15.299 46.924 1.00 56.30 ? 294 PHE A CD2 1 -ATOM 2364 C CE1 . PHE A 1 294 ? -41.329 -15.665 48.392 1.00 54.98 ? 294 PHE A CE1 1 -ATOM 2365 C CE2 . PHE A 1 294 ? -43.686 -16.006 48.127 1.00 56.57 ? 294 PHE A CE2 1 -ATOM 2366 C CZ . PHE A 1 294 ? -42.524 -16.189 48.862 1.00 50.03 ? 294 PHE A CZ 1 -ATOM 2367 N N . ALA A 1 295 ? -42.579 -11.508 43.111 1.00 50.45 ? 295 ALA A N 1 -ATOM 2368 C CA . ALA A 1 295 ? -41.992 -10.739 42.018 1.00 52.81 ? 295 ALA A CA 1 -ATOM 2369 C C . ALA A 1 295 ? -41.837 -9.253 42.360 1.00 54.30 ? 295 ALA A C 1 -ATOM 2370 O O . ALA A 1 295 ? -40.757 -8.678 42.202 1.00 55.16 ? 295 ALA A O 1 -ATOM 2371 C CB . ALA A 1 295 ? -42.778 -10.923 40.715 1.00 53.52 ? 295 ALA A CB 1 -ATOM 2372 N N . LYS A 1 296 ? -42.913 -8.633 42.831 1.00 55.85 ? 296 LYS A N 1 -ATOM 2373 C CA . LYS A 1 296 ? -42.913 -7.191 43.079 1.00 55.00 ? 296 LYS A CA 1 -ATOM 2374 C C . LYS A 1 296 ? -41.886 -6.771 44.135 1.00 51.85 ? 296 LYS A C 1 -ATOM 2375 O O . LYS A 1 296 ? -41.322 -5.684 44.051 1.00 48.20 ? 296 LYS A O 1 -ATOM 2376 C CB . LYS A 1 296 ? -44.313 -6.692 43.463 1.00 56.08 ? 296 LYS A CB 1 -ATOM 2377 C CG . LYS A 1 296 ? -45.277 -6.544 42.297 1.00 56.47 ? 296 LYS A CG 1 -ATOM 2378 C CD . LYS A 1 296 ? -46.618 -5.979 42.765 1.00 64.77 ? 296 LYS A CD 1 -ATOM 2379 C CE . LYS A 1 296 ? -47.510 -5.553 41.604 1.00 57.97 ? 296 LYS A CE 1 -ATOM 2380 N NZ . LYS A 1 296 ? -47.656 -6.624 40.600 1.00 65.14 ? 296 LYS A NZ 1 -ATOM 2381 N N . THR A 1 297 ? -41.644 -7.633 45.118 1.00 49.57 ? 297 THR A N 1 -ATOM 2382 C CA . THR A 1 297 ? -40.698 -7.298 46.181 1.00 50.40 ? 297 THR A CA 1 -ATOM 2383 C C . THR A 1 297 ? -39.256 -7.237 45.662 1.00 49.98 ? 297 THR A C 1 -ATOM 2384 O O . THR A 1 297 ? -38.385 -6.635 46.289 1.00 50.00 ? 297 THR A O 1 -ATOM 2385 C CB . THR A 1 297 ? -40.842 -8.245 47.391 1.00 50.39 ? 297 THR A CB 1 -ATOM 2386 O OG1 . THR A 1 297 ? -42.173 -8.135 47.899 1.00 53.17 ? 297 THR A OG1 1 -ATOM 2387 C CG2 . THR A 1 297 ? -39.858 -7.885 48.509 1.00 42.57 ? 297 THR A CG2 1 -ATOM 2388 N N . SER A 1 298 ? -39.013 -7.825 44.498 1.00 49.50 ? 298 SER A N 1 -ATOM 2389 C CA . SER A 1 298 ? -37.683 -7.765 43.905 1.00 48.18 ? 298 SER A CA 1 -ATOM 2390 C C . SER A 1 298 ? -37.321 -6.334 43.520 1.00 47.41 ? 298 SER A C 1 -ATOM 2391 O O . SER A 1 298 ? -36.152 -6.033 43.296 1.00 49.80 ? 298 SER A O 1 -ATOM 2392 C CB . SER A 1 298 ? -37.571 -8.679 42.688 1.00 46.96 ? 298 SER A CB 1 -ATOM 2393 O OG . SER A 1 298 ? -38.210 -8.079 41.583 1.00 40.80 ? 298 SER A OG 1 -ATOM 2394 N N . ALA A 1 299 ? -38.307 -5.446 43.449 1.00 43.80 ? 299 ALA A N 1 -ATOM 2395 C CA . ALA A 1 299 ? -37.996 -4.040 43.199 1.00 43.67 ? 299 ALA A CA 1 -ATOM 2396 C C . ALA A 1 299 ? -37.190 -3.447 44.361 1.00 44.76 ? 299 ALA A C 1 -ATOM 2397 O O . ALA A 1 299 ? -36.520 -2.421 44.212 1.00 44.91 ? 299 ALA A O 1 -ATOM 2398 C CB . ALA A 1 299 ? -39.257 -3.240 42.941 1.00 42.96 ? 299 ALA A CB 1 -ATOM 2399 N N . VAL A 1 300 ? -37.256 -4.109 45.517 1.00 44.31 ? 300 VAL A N 1 -ATOM 2400 C CA . VAL A 1 300 ? -36.433 -3.762 46.661 1.00 41.46 ? 300 VAL A CA 1 -ATOM 2401 C C . VAL A 1 300 ? -35.192 -4.673 46.757 1.00 45.29 ? 300 VAL A C 1 -ATOM 2402 O O . VAL A 1 300 ? -34.074 -4.173 46.841 1.00 48.19 ? 300 VAL A O 1 -ATOM 2403 C CB . VAL A 1 300 ? -37.261 -3.810 47.957 1.00 43.21 ? 300 VAL A CB 1 -ATOM 2404 C CG1 . VAL A 1 300 ? -36.381 -3.724 49.227 1.00 37.28 ? 300 VAL A CG1 1 -ATOM 2405 C CG2 . VAL A 1 300 ? -38.289 -2.712 47.944 1.00 49.13 ? 300 VAL A CG2 1 -ATOM 2406 N N . TYR A 1 301 ? -35.355 -5.996 46.723 1.00 44.42 ? 301 TYR A N 1 -ATOM 2407 C CA . TYR A 1 301 ? -34.194 -6.846 47.004 1.00 47.85 ? 301 TYR A CA 1 -ATOM 2408 C C . TYR A 1 301 ? -33.176 -6.982 45.874 1.00 49.76 ? 301 TYR A C 1 -ATOM 2409 O O . TYR A 1 301 ? -31.984 -7.136 46.149 1.00 52.79 ? 301 TYR A O 1 -ATOM 2410 C CB . TYR A 1 301 ? -34.553 -8.208 47.640 1.00 46.80 ? 301 TYR A CB 1 -ATOM 2411 C CG . TYR A 1 301 ? -35.433 -9.126 46.816 1.00 53.65 ? 301 TYR A CG 1 -ATOM 2412 C CD1 . TYR A 1 301 ? -34.912 -9.861 45.745 1.00 54.20 ? 301 TYR A CD1 1 -ATOM 2413 C CD2 . TYR A 1 301 ? -36.776 -9.292 47.134 1.00 49.15 ? 301 TYR A CD2 1 -ATOM 2414 C CE1 . TYR A 1 301 ? -35.716 -10.704 45.003 1.00 49.91 ? 301 TYR A CE1 1 -ATOM 2415 C CE2 . TYR A 1 301 ? -37.583 -10.134 46.405 1.00 52.02 ? 301 TYR A CE2 1 -ATOM 2416 C CZ . TYR A 1 301 ? -37.054 -10.836 45.340 1.00 57.08 ? 301 TYR A CZ 1 -ATOM 2417 O OH . TYR A 1 301 ? -37.878 -11.666 44.613 1.00 60.79 ? 301 TYR A OH 1 -ATOM 2418 N N . ASN A 1 302 ? -33.620 -6.913 44.618 1.00 50.37 ? 302 ASN A N 1 -ATOM 2419 C CA . ASN A 1 302 ? -32.670 -6.909 43.497 1.00 50.33 ? 302 ASN A CA 1 -ATOM 2420 C C . ASN A 1 302 ? -31.618 -5.808 43.633 1.00 51.40 ? 302 ASN A C 1 -ATOM 2421 O O . ASN A 1 302 ? -30.432 -6.100 43.588 1.00 55.32 ? 302 ASN A O 1 -ATOM 2422 C CB . ASN A 1 302 ? -33.363 -6.786 42.146 1.00 50.31 ? 302 ASN A CB 1 -ATOM 2423 C CG . ASN A 1 302 ? -33.793 -8.124 41.570 1.00 52.84 ? 302 ASN A CG 1 -ATOM 2424 O OD1 . ASN A 1 302 ? -33.481 -9.193 42.101 1.00 47.99 ? 302 ASN A OD1 1 -ATOM 2425 N ND2 . ASN A 1 302 ? -34.507 -8.063 40.454 1.00 53.36 ? 302 ASN A ND2 1 -ATOM 2426 N N . PRO A 1 303 ? -32.044 -4.540 43.816 1.00 50.79 ? 303 PRO A N 1 -ATOM 2427 C CA . PRO A 1 303 ? -31.048 -3.469 44.013 1.00 50.03 ? 303 PRO A CA 1 -ATOM 2428 C C . PRO A 1 303 ? -30.203 -3.639 45.291 1.00 49.95 ? 303 PRO A C 1 -ATOM 2429 O O . PRO A 1 303 ? -29.064 -3.173 45.349 1.00 51.20 ? 303 PRO A O 1 -ATOM 2430 C CB . PRO A 1 303 ? -31.893 -2.189 44.104 1.00 49.27 ? 303 PRO A CB 1 -ATOM 2431 C CG . PRO A 1 303 ? -33.284 -2.577 43.675 1.00 49.63 ? 303 PRO A CG 1 -ATOM 2432 C CD . PRO A 1 303 ? -33.432 -4.041 43.877 1.00 49.36 ? 303 PRO A CD 1 -ATOM 2433 N N . VAL A 1 304 ? -30.745 -4.290 46.313 1.00 46.64 ? 304 VAL A N 1 -ATOM 2434 C CA . VAL A 1 304 ? -29.934 -4.584 47.482 1.00 44.72 ? 304 VAL A CA 1 -ATOM 2435 C C . VAL A 1 304 ? -28.786 -5.496 47.046 1.00 46.47 ? 304 VAL A C 1 -ATOM 2436 O O . VAL A 1 304 ? -27.621 -5.201 47.277 1.00 46.02 ? 304 VAL A O 1 -ATOM 2437 C CB . VAL A 1 304 ? -30.774 -5.208 48.623 1.00 44.17 ? 304 VAL A CB 1 -ATOM 2438 C CG1 . VAL A 1 304 ? -29.892 -5.788 49.707 1.00 32.84 ? 304 VAL A CG1 1 -ATOM 2439 C CG2 . VAL A 1 304 ? -31.694 -4.159 49.217 1.00 44.07 ? 304 VAL A CG2 1 -ATOM 2440 N N . ILE A 1 305 ? -29.125 -6.585 46.372 1.00 49.00 ? 305 ILE A N 1 -ATOM 2441 C CA . ILE A 1 305 ? -28.136 -7.536 45.881 1.00 47.33 ? 305 ILE A CA 1 -ATOM 2442 C C . ILE A 1 305 ? -27.180 -6.947 44.829 1.00 47.18 ? 305 ILE A C 1 -ATOM 2443 O O . ILE A 1 305 ? -25.958 -7.047 44.969 1.00 48.87 ? 305 ILE A O 1 -ATOM 2444 C CB . ILE A 1 305 ? -28.845 -8.788 45.354 1.00 47.73 ? 305 ILE A CB 1 -ATOM 2445 C CG1 . ILE A 1 305 ? -29.381 -9.593 46.545 1.00 49.53 ? 305 ILE A CG1 1 -ATOM 2446 C CG2 . ILE A 1 305 ? -27.908 -9.631 44.496 1.00 44.71 ? 305 ILE A CG2 1 -ATOM 2447 C CD1 . ILE A 1 305 ? -30.560 -10.453 46.222 1.00 48.78 ? 305 ILE A CD1 1 -ATOM 2448 N N . TYR A 1 306 ? -27.737 -6.296 43.812 1.00 46.48 ? 306 TYR A N 1 -ATOM 2449 C CA . TYR A 1 306 ? -26.985 -5.873 42.623 1.00 46.47 ? 306 TYR A CA 1 -ATOM 2450 C C . TYR A 1 306 ? -26.445 -4.448 42.650 1.00 47.38 ? 306 TYR A C 1 -ATOM 2451 O O . TYR A 1 306 ? -25.689 -4.054 41.762 1.00 49.92 ? 306 TYR A O 1 -ATOM 2452 C CB . TYR A 1 306 ? -27.852 -6.032 41.377 1.00 43.09 ? 306 TYR A CB 1 -ATOM 2453 C CG . TYR A 1 306 ? -28.157 -7.460 41.043 1.00 47.24 ? 306 TYR A CG 1 -ATOM 2454 C CD1 . TYR A 1 306 ? -29.255 -8.109 41.599 1.00 44.56 ? 306 TYR A CD1 1 -ATOM 2455 C CD2 . TYR A 1 306 ? -27.349 -8.166 40.168 1.00 52.22 ? 306 TYR A CD2 1 -ATOM 2456 C CE1 . TYR A 1 306 ? -29.530 -9.424 41.293 1.00 48.98 ? 306 TYR A CE1 1 -ATOM 2457 C CE2 . TYR A 1 306 ? -27.619 -9.475 39.853 1.00 56.85 ? 306 TYR A CE2 1 -ATOM 2458 C CZ . TYR A 1 306 ? -28.704 -10.099 40.415 1.00 55.95 ? 306 TYR A CZ 1 -ATOM 2459 O OH . TYR A 1 306 ? -28.951 -11.404 40.085 1.00 66.14 ? 306 TYR A OH 1 -ATOM 2460 N N . ILE A 1 307 ? -26.856 -3.664 43.636 1.00 46.63 ? 307 ILE A N 1 -ATOM 2461 C CA . ILE A 1 307 ? -26.405 -2.281 43.737 1.00 46.82 ? 307 ILE A CA 1 -ATOM 2462 C C . ILE A 1 307 ? -25.801 -2.050 45.123 1.00 49.09 ? 307 ILE A C 1 -ATOM 2463 O O . ILE A 1 307 ? -24.601 -1.825 45.260 1.00 47.83 ? 307 ILE A O 1 -ATOM 2464 C CB . ILE A 1 307 ? -27.556 -1.280 43.482 1.00 45.56 ? 307 ILE A CB 1 -ATOM 2465 C CG1 . ILE A 1 307 ? -28.275 -1.599 42.170 1.00 38.52 ? 307 ILE A CG1 1 -ATOM 2466 C CG2 . ILE A 1 307 ? -27.048 0.150 43.485 1.00 44.26 ? 307 ILE A CG2 1 -ATOM 2467 C CD1 . ILE A 1 307 ? -27.483 -1.285 40.951 1.00 44.18 ? 307 ILE A CD1 1 -ATOM 2468 N N . MET A 1 308 ? -26.625 -2.139 46.159 1.00 49.82 ? 308 MET A N 1 -ATOM 2469 C CA . MET A 1 308 ? -26.118 -1.901 47.502 1.00 50.20 ? 308 MET A CA 1 -ATOM 2470 C C . MET A 1 308 ? -24.972 -2.815 47.864 1.00 47.31 ? 308 MET A C 1 -ATOM 2471 O O . MET A 1 308 ? -24.092 -2.418 48.612 1.00 50.05 ? 308 MET A O 1 -ATOM 2472 C CB . MET A 1 308 ? -27.233 -1.925 48.548 1.00 51.02 ? 308 MET A CB 1 -ATOM 2473 C CG . MET A 1 308 ? -27.999 -0.595 48.602 1.00 59.35 ? 308 MET A CG 1 -ATOM 2474 S SD . MET A 1 308 ? -29.415 -0.603 49.726 1.00 88.32 ? 308 MET A SD 1 -ATOM 2475 C CE . MET A 1 308 ? -28.656 -0.807 51.352 1.00 76.19 ? 308 MET A CE 1 -ATOM 2476 N N . MET A 1 309 ? -24.951 -4.020 47.304 1.00 46.70 ? 309 MET A N 1 -ATOM 2477 C CA . MET A 1 309 ? -23.889 -4.982 47.622 1.00 48.91 ? 309 MET A CA 1 -ATOM 2478 C C . MET A 1 309 ? -22.695 -4.893 46.668 1.00 49.55 ? 309 MET A C 1 -ATOM 2479 O O . MET A 1 309 ? -21.739 -5.663 46.764 1.00 48.71 ? 309 MET A O 1 -ATOM 2480 C CB . MET A 1 309 ? -24.436 -6.409 47.685 1.00 48.17 ? 309 MET A CB 1 -ATOM 2481 C CG . MET A 1 309 ? -24.982 -6.778 49.052 1.00 53.57 ? 309 MET A CG 1 -ATOM 2482 S SD . MET A 1 309 ? -25.629 -8.461 49.155 1.00 63.46 ? 309 MET A SD 1 -ATOM 2483 C CE . MET A 1 309 ? -25.347 -8.828 50.900 1.00 82.30 ? 309 MET A CE 1 -ATOM 2484 N N . ASN A 1 310 ? -22.767 -3.942 45.748 1.00 49.01 ? 310 ASN A N 1 -ATOM 2485 C CA . ASN A 1 310 ? -21.684 -3.653 44.836 1.00 47.26 ? 310 ASN A CA 1 -ATOM 2486 C C . ASN A 1 310 ? -20.813 -2.547 45.471 1.00 50.59 ? 310 ASN A C 1 -ATOM 2487 O O . ASN A 1 310 ? -21.277 -1.424 45.732 1.00 49.39 ? 310 ASN A O 1 -ATOM 2488 C CB . ASN A 1 310 ? -22.294 -3.263 43.485 1.00 46.95 ? 310 ASN A CB 1 -ATOM 2489 C CG . ASN A 1 310 ? -21.274 -2.787 42.472 1.00 48.49 ? 310 ASN A CG 1 -ATOM 2490 O OD1 . ASN A 1 310 ? -20.427 -1.945 42.767 1.00 56.97 ? 310 ASN A OD1 1 -ATOM 2491 N ND2 . ASN A 1 310 ? -21.384 -3.293 41.249 1.00 50.33 ? 310 ASN A ND2 1 -ATOM 2492 N N . LYS A 1 311 ? -19.561 -2.901 45.755 1.00 53.01 ? 311 LYS A N 1 -ATOM 2493 C CA . LYS A 1 311 ? -18.607 -2.038 46.446 1.00 54.80 ? 311 LYS A CA 1 -ATOM 2494 C C . LYS A 1 311 ? -18.612 -0.594 45.929 1.00 58.29 ? 311 LYS A C 1 -ATOM 2495 O O . LYS A 1 311 ? -18.672 0.368 46.713 1.00 59.34 ? 311 LYS A O 1 -ATOM 2496 C CB . LYS A 1 311 ? -17.214 -2.640 46.306 1.00 56.21 ? 311 LYS A CB 1 -ATOM 2497 C CG . LYS A 1 311 ? -16.159 -2.040 47.204 1.00 66.94 ? 311 LYS A CG 1 -ATOM 2498 C CD . LYS A 1 311 ? -14.875 -2.875 47.200 1.00 78.11 ? 311 LYS A CD 1 -ATOM 2499 C CE . LYS A 1 311 ? -14.052 -2.577 48.452 1.00 83.95 ? 311 LYS A CE 1 -ATOM 2500 N NZ . LYS A 1 311 ? -12.688 -3.151 48.383 1.00 87.72 ? 311 LYS A NZ 1 -ATOM 2501 N N . GLN A 1 312 ? -18.552 -0.438 44.609 1.00 59.28 ? 312 GLN A N 1 -ATOM 2502 C CA . GLN A 1 312 ? -18.513 0.892 44.017 1.00 58.23 ? 312 GLN A CA 1 -ATOM 2503 C C . GLN A 1 312 ? -19.783 1.685 44.280 1.00 54.80 ? 312 GLN A C 1 -ATOM 2504 O O . GLN A 1 312 ? -19.717 2.765 44.873 1.00 61.64 ? 312 GLN A O 1 -ATOM 2505 C CB . GLN A 1 312 ? -18.203 0.833 42.525 1.00 60.52 ? 312 GLN A CB 1 -ATOM 2506 C CG . GLN A 1 312 ? -16.739 1.070 42.197 1.00 71.07 ? 312 GLN A CG 1 -ATOM 2507 C CD . GLN A 1 312 ? -16.574 1.835 40.888 1.00 91.63 ? 312 GLN A CD 1 -ATOM 2508 O OE1 . GLN A 1 312 ? -17.215 1.514 39.879 1.00 97.38 ? 312 GLN A OE1 1 -ATOM 2509 N NE2 . GLN A 1 312 ? -15.720 2.858 40.899 1.00 91.82 ? 312 GLN A NE2 1 -ATOM 2510 N N . PHE A 1 313 ? -20.935 1.161 43.867 0.50 45.34 ? 313 PHE A N 1 -ATOM 2511 C CA . PHE A 1 313 ? -22.181 1.881 44.084 0.50 36.91 ? 313 PHE A CA 1 -ATOM 2512 C C . PHE A 1 313 ? -22.325 2.259 45.541 0.50 37.50 ? 313 PHE A C 1 -ATOM 2513 O O . PHE A 1 313 ? -22.637 3.400 45.870 0.50 29.83 ? 313 PHE A O 1 -ATOM 2514 C CB . PHE A 1 313 ? -23.379 1.077 43.593 0.50 32.63 ? 313 PHE A CB 1 -ATOM 2515 C CG . PHE A 1 313 ? -23.582 1.178 42.125 0.50 20.61 ? 313 PHE A CG 1 -ATOM 2516 C CD1 . PHE A 1 313 ? -22.981 0.276 41.262 0.50 22.94 ? 313 PHE A CD1 1 -ATOM 2517 C CD2 . PHE A 1 313 ? -24.324 2.205 41.595 0.50 12.65 ? 313 PHE A CD2 1 -ATOM 2518 C CE1 . PHE A 1 313 ? -23.144 0.386 39.889 0.50 12.84 ? 313 PHE A CE1 1 -ATOM 2519 C CE2 . PHE A 1 313 ? -24.488 2.318 40.226 0.50 12.93 ? 313 PHE A CE2 1 -ATOM 2520 C CZ . PHE A 1 313 ? -23.898 1.404 39.377 0.50 6.98 ? 313 PHE A CZ 1 -ATOM 2521 N N . ARG A 1 314 ? -22.049 1.298 46.412 1.00 44.48 ? 314 ARG A N 1 -ATOM 2522 C CA . ARG A 1 314 ? -22.149 1.527 47.857 1.00 50.96 ? 314 ARG A CA 1 -ATOM 2523 C C . ARG A 1 314 ? -21.357 2.743 48.325 1.00 53.67 ? 314 ARG A C 1 -ATOM 2524 O O . ARG A 1 314 ? -21.946 3.658 48.898 1.00 57.81 ? 314 ARG A O 1 -ATOM 2525 C CB . ARG A 1 314 ? -21.751 0.286 48.662 1.00 51.40 ? 314 ARG A CB 1 -ATOM 2526 C CG . ARG A 1 314 ? -22.232 0.313 50.127 1.00 54.12 ? 314 ARG A CG 1 -ATOM 2527 C CD . ARG A 1 314 ? -21.557 -0.780 50.975 1.00 55.67 ? 314 ARG A CD 1 -ATOM 2528 N NE . ARG A 1 314 ? -21.347 -2.002 50.200 1.00 64.29 ? 314 ARG A NE 1 -ATOM 2529 C CZ . ARG A 1 314 ? -20.160 -2.534 49.932 1.00 66.51 ? 314 ARG A CZ 1 -ATOM 2530 N NH1 . ARG A 1 314 ? -20.071 -3.643 49.209 1.00 74.63 ? 314 ARG A NH1 1 -ATOM 2531 N NH2 . ARG A 1 314 ? -19.062 -1.964 50.393 1.00 69.43 ? 314 ARG A NH2 1 -ATOM 2532 N N . ASN A 1 315 ? -20.042 2.768 48.085 1.00 53.51 ? 315 ASN A N 1 -ATOM 2533 C CA . ASN A 1 315 ? -19.232 3.928 48.480 1.00 54.18 ? 315 ASN A CA 1 -ATOM 2534 C C . ASN A 1 315 ? -19.823 5.244 47.979 1.00 55.13 ? 315 ASN A C 1 -ATOM 2535 O O . ASN A 1 315 ? -20.035 6.180 48.756 1.00 55.64 ? 315 ASN A O 1 -ATOM 2536 C CB . ASN A 1 315 ? -17.788 3.800 48.001 1.00 55.65 ? 315 ASN A CB 1 -ATOM 2537 C CG . ASN A 1 315 ? -17.047 2.648 48.656 1.00 61.18 ? 315 ASN A CG 1 -ATOM 2538 O OD1 . ASN A 1 315 ? -17.458 2.124 49.691 1.00 61.96 ? 315 ASN A OD1 1 -ATOM 2539 N ND2 . ASN A 1 315 ? -15.941 2.244 48.043 1.00 69.34 ? 315 ASN A ND2 1 -ATOM 2540 N N . CYS A 1 316 ? -20.102 5.317 46.684 1.00 54.97 ? 316 CYS A N 1 -ATOM 2541 C CA . CYS A 1 316 ? -20.727 6.512 46.131 1.00 56.98 ? 316 CYS A CA 1 -ATOM 2542 C C . CYS A 1 316 ? -22.028 6.877 46.837 1.00 58.31 ? 316 CYS A C 1 -ATOM 2543 O O . CYS A 1 316 ? -22.280 8.045 47.118 1.00 59.28 ? 316 CYS A O 1 -ATOM 2544 C CB . CYS A 1 316 ? -20.980 6.334 44.644 1.00 57.60 ? 316 CYS A CB 1 -ATOM 2545 S SG . CYS A 1 316 ? -19.468 6.197 43.718 1.00 54.46 ? 316 CYS A SG 1 -ATOM 2546 N N . MET A 1 317 ? -22.861 5.878 47.108 1.00 60.39 ? 317 MET A N 1 -ATOM 2547 C CA . MET A 1 317 ? -24.104 6.111 47.832 1.00 61.51 ? 317 MET A CA 1 -ATOM 2548 C C . MET A 1 317 ? -23.857 6.652 49.236 1.00 62.08 ? 317 MET A C 1 -ATOM 2549 O O . MET A 1 317 ? -24.543 7.570 49.679 1.00 64.27 ? 317 MET A O 1 -ATOM 2550 C CB . MET A 1 317 ? -24.941 4.839 47.897 1.00 60.64 ? 317 MET A CB 1 -ATOM 2551 C CG . MET A 1 317 ? -25.794 4.624 46.668 1.00 63.37 ? 317 MET A CG 1 -ATOM 2552 S SD . MET A 1 317 ? -26.843 3.169 46.791 1.00 66.91 ? 317 MET A SD 1 -ATOM 2553 C CE . MET A 1 317 ? -27.905 3.442 45.376 1.00 67.46 ? 317 MET A CE 1 -ATOM 2554 N N . VAL A 1 318 ? -22.876 6.091 49.934 1.00 60.13 ? 318 VAL A N 1 -ATOM 2555 C CA . VAL A 1 318 ? -22.548 6.578 51.260 1.00 59.73 ? 318 VAL A CA 1 -ATOM 2556 C C . VAL A 1 318 ? -22.070 8.018 51.174 1.00 59.01 ? 318 VAL A C 1 -ATOM 2557 O O . VAL A 1 318 ? -22.536 8.882 51.912 1.00 62.14 ? 318 VAL A O 1 -ATOM 2558 C CB . VAL A 1 318 ? -21.498 5.699 51.961 1.00 60.79 ? 318 VAL A CB 1 -ATOM 2559 C CG1 . VAL A 1 318 ? -21.055 6.339 53.281 1.00 58.26 ? 318 VAL A CG1 1 -ATOM 2560 C CG2 . VAL A 1 318 ? -22.065 4.298 52.198 1.00 60.71 ? 318 VAL A CG2 1 -ATOM 2561 N N . THR A 1 319 ? -21.152 8.282 50.259 1.00 56.81 ? 319 THR A N 1 -ATOM 2562 C CA . THR A 1 319 ? -20.675 9.642 50.069 1.00 56.29 ? 319 THR A CA 1 -ATOM 2563 C C . THR A 1 319 ? -21.840 10.599 49.836 1.00 57.08 ? 319 THR A C 1 -ATOM 2564 O O . THR A 1 319 ? -21.917 11.645 50.461 1.00 58.52 ? 319 THR A O 1 -ATOM 2565 C CB . THR A 1 319 ? -19.693 9.735 48.889 1.00 56.28 ? 319 THR A CB 1 -ATOM 2566 O OG1 . THR A 1 319 ? -18.529 8.944 49.163 1.00 56.67 ? 319 THR A OG1 1 -ATOM 2567 C CG2 . THR A 1 319 ? -19.275 11.167 48.662 1.00 55.13 ? 319 THR A CG2 1 -ATOM 2568 N N . THR A 1 320 ? -22.750 10.237 48.939 1.00 59.44 ? 320 THR A N 1 -ATOM 2569 C CA . THR A 1 320 ? -23.843 11.133 48.580 1.00 59.44 ? 320 THR A CA 1 -ATOM 2570 C C . THR A 1 320 ? -24.849 11.280 49.705 1.00 59.93 ? 320 THR A C 1 -ATOM 2571 O O . THR A 1 320 ? -25.363 12.368 49.932 1.00 59.26 ? 320 THR A O 1 -ATOM 2572 C CB . THR A 1 320 ? -24.559 10.686 47.298 1.00 59.12 ? 320 THR A CB 1 -ATOM 2573 O OG1 . THR A 1 320 ? -23.613 10.648 46.221 1.00 60.42 ? 320 THR A OG1 1 -ATOM 2574 C CG2 . THR A 1 320 ? -25.678 11.664 46.947 1.00 51.68 ? 320 THR A CG2 1 -ATOM 2575 N N . LEU A 1 321 ? -25.116 10.187 50.412 1.00 62.34 ? 321 LEU A N 1 -ATOM 2576 C CA . LEU A 1 321 ? -26.051 10.214 51.535 1.00 65.47 ? 321 LEU A CA 1 -ATOM 2577 C C . LEU A 1 321 ? -25.488 11.015 52.698 1.00 67.30 ? 321 LEU A C 1 -ATOM 2578 O O . LEU A 1 321 ? -26.234 11.645 53.445 1.00 66.94 ? 321 LEU A O 1 -ATOM 2579 C CB . LEU A 1 321 ? -26.444 8.796 51.984 1.00 64.13 ? 321 LEU A CB 1 -ATOM 2580 C CG . LEU A 1 321 ? -27.437 8.079 51.049 1.00 64.74 ? 321 LEU A CG 1 -ATOM 2581 C CD1 . LEU A 1 321 ? -27.868 6.715 51.600 1.00 55.93 ? 321 LEU A CD1 1 -ATOM 2582 C CD2 . LEU A 1 321 ? -28.655 8.974 50.732 1.00 49.74 ? 321 LEU A CD2 1 -ATOM 2583 N N . CYS A 1 322 ? -24.166 11.004 52.835 1.00 70.49 ? 322 CYS A N 1 -ATOM 2584 C CA . CYS A 1 322 ? -23.516 11.778 53.879 1.00 73.55 ? 322 CYS A CA 1 -ATOM 2585 C C . CYS A 1 322 ? -22.998 13.090 53.337 1.00 78.00 ? 322 CYS A C 1 -ATOM 2586 O O . CYS A 1 322 ? -21.835 13.454 53.516 1.00 78.96 ? 322 CYS A O 1 -ATOM 2587 C CB . CYS A 1 322 ? -22.446 10.956 54.567 1.00 69.61 ? 322 CYS A CB 1 -ATOM 2588 S SG . CYS A 1 322 ? -23.224 9.523 55.314 1.00 74.98 ? 322 CYS A SG 1 -ATOM 2589 N N . CYS A 1 323 ? -23.900 13.788 52.652 1.00 84.36 ? 323 CYS A N 1 -ATOM 2590 C CA . CYS A 1 323 ? -23.712 15.182 52.296 1.00 89.50 ? 323 CYS A CA 1 -ATOM 2591 C C . CYS A 1 323 ? -22.524 15.384 51.372 1.00 92.86 ? 323 CYS A C 1 -ATOM 2592 O O . CYS A 1 323 ? -22.585 15.040 50.192 1.00 94.89 ? 323 CYS A O 1 -ATOM 2593 C CB . CYS A 1 323 ? -23.562 16.000 53.575 1.00 88.73 ? 323 CYS A CB 1 -ATOM 2594 S SG . CYS A 1 323 ? -25.003 15.824 54.617 1.00 86.89 ? 323 CYS A SG 1 -ATOM 2595 N N . GLY A 1 324 ? -21.447 15.940 51.915 1.00 95.34 ? 324 GLY A N 1 -ATOM 2596 C CA . GLY A 1 324 ? -20.255 16.190 51.131 1.00 99.22 ? 324 GLY A CA 1 -ATOM 2597 C C . GLY A 1 324 ? -19.543 14.900 50.773 1.00 101.40 ? 324 GLY A C 1 -ATOM 2598 O O . GLY A 1 324 ? -19.335 14.598 49.589 1.00 101.23 ? 324 GLY A O 1 -ATOM 2599 N N . LYS A 1 325 ? -19.179 14.132 51.798 1.00 101.29 ? 325 LYS A N 1 -ATOM 2600 C CA . LYS A 1 325 ? -18.316 12.978 51.608 1.00 103.10 ? 325 LYS A CA 1 -ATOM 2601 C C . LYS A 1 325 ? -18.227 12.148 52.873 1.00 101.83 ? 325 LYS A C 1 -ATOM 2602 O O . LYS A 1 325 ? -18.676 12.577 53.929 1.00 101.50 ? 325 LYS A O 1 -ATOM 2603 C CB . LYS A 1 325 ? -16.910 13.451 51.239 1.00 105.29 ? 325 LYS A CB 1 -ATOM 2604 C CG . LYS A 1 325 ? -16.258 14.293 52.339 1.00 113.08 ? 325 LYS A CG 1 -ATOM 2605 C CD . LYS A 1 325 ? -14.772 14.508 52.102 1.00 119.83 ? 325 LYS A CD 1 -ATOM 2606 C CE . LYS A 1 325 ? -14.207 15.468 53.132 1.00 121.52 ? 325 LYS A CE 1 -ATOM 2607 N NZ . LYS A 1 325 ? -12.795 15.809 52.833 1.00 125.74 ? 325 LYS A NZ 1 -ATOM 2608 N N . ASN A 1 326 ? -17.642 10.960 52.751 1.00 102.75 ? 326 ASN A N 1 -ATOM 2609 C CA . ASN A 1 326 ? -17.223 10.171 53.909 1.00 105.30 ? 326 ASN A CA 1 -ATOM 2610 C C . ASN A 1 326 ? -16.422 8.928 53.518 1.00 106.19 ? 326 ASN A C 1 -ATOM 2611 O O . ASN A 1 326 ? -15.760 8.315 54.356 1.00 106.62 ? 326 ASN A O 1 -ATOM 2612 C CB . ASN A 1 326 ? -18.414 9.792 54.803 1.00 105.38 ? 326 ASN A CB 1 -ATOM 2613 C CG . ASN A 1 326 ? -18.068 9.839 56.289 1.00 102.52 ? 326 ASN A CG 1 -ATOM 2614 O OD1 . ASN A 1 326 ? -18.039 8.810 56.965 1.00 103.78 ? 326 ASN A OD1 1 -ATOM 2615 N ND2 . ASN A 1 326 ? -17.788 11.036 56.797 1.00 90.46 ? 326 ASN A ND2 1 -ATOM 2616 N N . ILE B 2 1 ? -7.853 -12.749 36.768 1.00 59.28 ? 340 ILE B N 1 -ATOM 2617 C CA . ILE B 2 1 ? -9.298 -12.569 37.100 1.00 61.91 ? 340 ILE B CA 1 -ATOM 2618 C C . ILE B 2 1 ? -9.599 -11.280 37.869 1.00 64.79 ? 340 ILE B C 1 -ATOM 2619 O O . ILE B 2 1 ? -10.589 -10.600 37.573 1.00 67.11 ? 340 ILE B O 1 -ATOM 2620 C CB . ILE B 2 1 ? -9.873 -13.756 37.918 1.00 61.05 ? 340 ILE B CB 1 -ATOM 2621 C CG1 . ILE B 2 1 ? -8.798 -14.332 38.837 1.00 63.70 ? 340 ILE B CG1 1 -ATOM 2622 C CG2 . ILE B 2 1 ? -10.503 -14.821 37.002 1.00 48.45 ? 340 ILE B CG2 1 -ATOM 2623 C CD1 . ILE B 2 1 ? -9.304 -15.434 39.749 1.00 81.89 ? 340 ILE B CD1 1 -ATOM 2624 N N . LEU B 2 2 ? -8.749 -10.948 38.845 1.00 65.60 ? 341 LEU B N 1 -ATOM 2625 C CA . LEU B 2 2 ? -9.044 -9.878 39.813 1.00 63.55 ? 341 LEU B CA 1 -ATOM 2626 C C . LEU B 2 2 ? -9.558 -8.562 39.217 1.00 64.04 ? 341 LEU B C 1 -ATOM 2627 O O . LEU B 2 2 ? -10.582 -8.048 39.668 1.00 63.07 ? 341 LEU B O 1 -ATOM 2628 C CB . LEU B 2 2 ? -7.862 -9.636 40.759 1.00 61.75 ? 341 LEU B CB 1 -ATOM 2629 C CG . LEU B 2 2 ? -7.549 -10.771 41.741 1.00 61.40 ? 341 LEU B CG 1 -ATOM 2630 C CD1 . LEU B 2 2 ? -6.434 -10.379 42.717 1.00 57.29 ? 341 LEU B CD1 1 -ATOM 2631 C CD2 . LEU B 2 2 ? -8.800 -11.206 42.498 1.00 58.80 ? 341 LEU B CD2 1 -ATOM 2632 N N . GLU B 2 3 ? -8.866 -8.024 38.212 1.00 64.87 ? 342 GLU B N 1 -ATOM 2633 C CA . GLU B 2 3 ? -9.315 -6.777 37.572 1.00 66.03 ? 342 GLU B CA 1 -ATOM 2634 C C . GLU B 2 3 ? -10.709 -6.920 36.993 1.00 63.41 ? 342 GLU B C 1 -ATOM 2635 O O . GLU B 2 3 ? -11.564 -6.053 37.179 1.00 61.94 ? 342 GLU B O 1 -ATOM 2636 C CB . GLU B 2 3 ? -8.347 -6.314 36.478 1.00 67.89 ? 342 GLU B CB 1 -ATOM 2637 C CG . GLU B 2 3 ? -7.176 -5.486 36.992 1.00 78.70 ? 342 GLU B CG 1 -ATOM 2638 C CD . GLU B 2 3 ? -7.620 -4.285 37.820 1.00 90.35 ? 342 GLU B CD 1 -ATOM 2639 O OE1 . GLU B 2 3 ? -8.106 -3.299 37.223 1.00 93.63 ? 342 GLU B OE1 1 -ATOM 2640 O OE2 . GLU B 2 3 ? -7.477 -4.329 39.065 1.00 91.56 ? 342 GLU B OE2 1 -ATOM 2641 N N . ASN B 2 4 ? -10.929 -8.023 36.288 1.00 62.66 ? 343 ASN B N 1 -ATOM 2642 C CA . ASN B 2 4 ? -12.233 -8.300 35.704 1.00 61.72 ? 343 ASN B CA 1 -ATOM 2643 C C . ASN B 2 4 ? -13.325 -8.450 36.743 1.00 59.59 ? 343 ASN B C 1 -ATOM 2644 O O . ASN B 2 4 ? -14.411 -7.915 36.573 1.00 58.65 ? 343 ASN B O 1 -ATOM 2645 C CB . ASN B 2 4 ? -12.168 -9.520 34.791 1.00 62.52 ? 343 ASN B CB 1 -ATOM 2646 C CG . ASN B 2 4 ? -11.362 -9.251 33.534 1.00 61.73 ? 343 ASN B CG 1 -ATOM 2647 O OD1 . ASN B 2 4 ? -11.122 -8.089 33.172 1.00 57.61 ? 343 ASN B OD1 1 -ATOM 2648 N ND2 . ASN B 2 4 ? -10.940 -10.318 32.859 1.00 55.44 ? 343 ASN B ND2 1 -ATOM 2649 N N . LEU B 2 5 ? -13.028 -9.157 37.828 1.00 59.48 ? 344 LEU B N 1 -ATOM 2650 C CA . LEU B 2 5 ? -13.956 -9.258 38.943 1.00 58.73 ? 344 LEU B CA 1 -ATOM 2651 C C . LEU B 2 5 ? -14.298 -7.880 39.526 1.00 60.49 ? 344 LEU B C 1 -ATOM 2652 O O . LEU B 2 5 ? -15.423 -7.652 39.957 1.00 63.08 ? 344 LEU B O 1 -ATOM 2653 C CB . LEU B 2 5 ? -13.414 -10.213 40.006 1.00 58.93 ? 344 LEU B CB 1 -ATOM 2654 C CG . LEU B 2 5 ? -13.192 -11.638 39.469 1.00 62.50 ? 344 LEU B CG 1 -ATOM 2655 C CD1 . LEU B 2 5 ? -12.639 -12.601 40.531 1.00 57.68 ? 344 LEU B CD1 1 -ATOM 2656 C CD2 . LEU B 2 5 ? -14.474 -12.202 38.842 1.00 59.38 ? 344 LEU B CD2 1 -ATOM 2657 N N . LYS B 2 6 ? -13.347 -6.949 39.514 1.00 61.61 ? 345 LYS B N 1 -ATOM 2658 C CA . LYS B 2 6 ? -13.633 -5.586 39.962 1.00 62.61 ? 345 LYS B CA 1 -ATOM 2659 C C . LYS B 2 6 ? -14.509 -4.855 38.965 1.00 62.46 ? 345 LYS B C 1 -ATOM 2660 O O . LYS B 2 6 ? -15.441 -4.160 39.357 1.00 63.62 ? 345 LYS B O 1 -ATOM 2661 C CB . LYS B 2 6 ? -12.351 -4.793 40.227 1.00 62.01 ? 345 LYS B CB 1 -ATOM 2662 C CG . LYS B 2 6 ? -11.618 -5.233 41.489 1.00 75.24 ? 345 LYS B CG 1 -ATOM 2663 C CD . LYS B 2 6 ? -10.146 -4.827 41.480 1.00 90.90 ? 345 LYS B CD 1 -ATOM 2664 C CE . LYS B 2 6 ? -9.385 -5.450 42.649 1.00 94.51 ? 345 LYS B CE 1 -ATOM 2665 N NZ . LYS B 2 6 ? -7.913 -5.277 42.498 1.00 97.97 ? 345 LYS B NZ 1 -ATOM 2666 N N . ASP B 2 7 ? -14.209 -5.018 37.677 1.00 63.03 ? 346 ASP B N 1 -ATOM 2667 C CA . ASP B 2 7 ? -14.968 -4.362 36.604 1.00 62.56 ? 346 ASP B CA 1 -ATOM 2668 C C . ASP B 2 7 ? -16.454 -4.724 36.599 1.00 60.22 ? 346 ASP B C 1 -ATOM 2669 O O . ASP B 2 7 ? -17.306 -3.869 36.348 1.00 59.53 ? 346 ASP B O 1 -ATOM 2670 C CB . ASP B 2 7 ? -14.370 -4.702 35.238 1.00 65.19 ? 346 ASP B CB 1 -ATOM 2671 C CG . ASP B 2 7 ? -12.978 -4.144 35.055 1.00 72.06 ? 346 ASP B CG 1 -ATOM 2672 O OD1 . ASP B 2 7 ? -12.579 -3.272 35.858 1.00 72.28 ? 346 ASP B OD1 1 -ATOM 2673 O OD2 . ASP B 2 7 ? -12.291 -4.584 34.105 1.00 79.57 ? 346 ASP B OD2 1 -ATOM 2674 N N . VAL B 2 8 ? -16.757 -5.991 36.866 1.00 57.04 ? 347 VAL B N 1 -ATOM 2675 C CA . VAL B 2 8 ? -18.133 -6.459 36.856 1.00 55.00 ? 347 VAL B CA 1 -ATOM 2676 C C . VAL B 2 8 ? -18.780 -6.339 38.234 1.00 55.45 ? 347 VAL B C 1 -ATOM 2677 O O . VAL B 2 8 ? -19.909 -6.794 38.440 1.00 55.08 ? 347 VAL B O 1 -ATOM 2678 C CB . VAL B 2 8 ? -18.259 -7.916 36.340 1.00 56.43 ? 347 VAL B CB 1 -ATOM 2679 C CG1 . VAL B 2 8 ? -17.747 -8.031 34.904 1.00 48.26 ? 347 VAL B CG1 1 -ATOM 2680 C CG2 . VAL B 2 8 ? -17.567 -8.901 37.293 1.00 49.82 ? 347 VAL B CG2 1 -ATOM 2681 N N . GLY B 2 9 ? -18.066 -5.720 39.169 1.00 55.00 ? 348 GLY B N 1 -ATOM 2682 C CA . GLY B 2 9 ? -18.625 -5.404 40.478 1.00 54.75 ? 348 GLY B CA 1 -ATOM 2683 C C . GLY B 2 9 ? -18.822 -6.615 41.364 1.00 55.50 ? 348 GLY B C 1 -ATOM 2684 O O . GLY B 2 9 ? -19.659 -6.602 42.248 1.00 56.22 ? 348 GLY B O 1 -ATOM 2685 N N . LEU B 2 10 ? -18.039 -7.663 41.140 1.00 57.55 ? 349 LEU B N 1 -ATOM 2686 C CA . LEU B 2 10 ? -18.179 -8.890 41.909 1.00 57.38 ? 349 LEU B CA 1 -ATOM 2687 C C . LEU B 2 10 ? -17.120 -9.056 42.986 1.00 58.13 ? 349 LEU B C 1 -ATOM 2688 O O . LEU B 2 10 ? -17.225 -9.960 43.811 1.00 59.24 ? 349 LEU B O 1 -ATOM 2689 C CB . LEU B 2 10 ? -18.188 -10.112 40.991 1.00 56.86 ? 349 LEU B CB 1 -ATOM 2690 C CG . LEU B 2 10 ? -19.546 -10.509 40.401 1.00 61.01 ? 349 LEU B CG 1 -ATOM 2691 C CD1 . LEU B 2 10 ? -19.401 -11.739 39.515 1.00 56.96 ? 349 LEU B CD1 1 -ATOM 2692 C CD2 . LEU B 2 10 ? -20.591 -10.761 41.498 1.00 58.41 ? 349 LEU B CD2 1 -ATOM 2693 N N . PHE B 2 11 ? -16.114 -8.185 42.984 1.00 60.67 ? 350 PHE B N 1 -ATOM 2694 C CA . PHE B 2 11 ? -15.057 -8.224 44.004 1.00 66.14 ? 350 PHE B CA 1 -ATOM 2695 C C . PHE B 2 11 ? -14.319 -6.897 44.173 1.00 68.38 ? 350 PHE B C 1 -ATOM 2696 O O . PHE B 2 11 ? -14.108 -6.432 45.299 1.00 70.25 ? 350 PHE B O 1 -ATOM 2697 C CB . PHE B 2 11 ? -14.039 -9.332 43.708 1.00 67.99 ? 350 PHE B CB 1 -ATOM 2698 C CG . PHE B 2 11 ? -12.970 -9.471 44.767 1.00 70.49 ? 350 PHE B CG 1 -ATOM 2699 C CD1 . PHE B 2 11 ? -13.279 -9.985 46.029 1.00 69.94 ? 350 PHE B CD1 1 -ATOM 2700 C CD2 . PHE B 2 11 ? -11.660 -9.096 44.502 1.00 67.26 ? 350 PHE B CD2 1 -ATOM 2701 C CE1 . PHE B 2 11 ? -12.306 -10.120 47.003 1.00 58.70 ? 350 PHE B CE1 1 -ATOM 2702 C CE2 . PHE B 2 11 ? -10.685 -9.227 45.473 1.00 67.49 ? 350 PHE B CE2 1 -ATOM 2703 C CZ . PHE B 2 11 ? -11.012 -9.738 46.727 1.00 66.35 ? 350 PHE B CZ 1 -ATOM 2704 O OXT . PHE B 2 11 ? -13.902 -6.272 43.195 1.00 69.53 ? 350 PHE B OXT 1 -HETATM 2705 C C1 . NAG C 3 . ? -73.608 -12.234 40.184 1.00 41.47 ? 1 NAG C C1 1 -HETATM 2706 C C2 . NAG C 3 . ? -73.435 -11.444 38.896 1.00 41.12 ? 1 NAG C C2 1 -HETATM 2707 C C3 . NAG C 3 . ? -74.371 -10.235 38.889 1.00 41.83 ? 1 NAG C C3 1 -HETATM 2708 C C4 . NAG C 3 . ? -75.834 -10.620 39.155 1.00 44.91 ? 1 NAG C C4 1 -HETATM 2709 C C5 . NAG C 3 . ? -75.913 -11.544 40.370 1.00 50.78 ? 1 NAG C C5 1 -HETATM 2710 C C6 . NAG C 3 . ? -77.316 -12.132 40.421 1.00 52.73 ? 1 NAG C C6 1 -HETATM 2711 C C7 . NAG C 3 . ? -71.338 -10.936 37.683 1.00 52.24 ? 1 NAG C C7 1 -HETATM 2712 C C8 . NAG C 3 . ? -69.905 -10.402 37.849 1.00 45.27 ? 1 NAG C C8 1 -HETATM 2713 N N2 . NAG C 3 . ? -72.039 -10.989 38.819 1.00 46.12 ? 1 NAG C N2 1 -HETATM 2714 O O3 . NAG C 3 . ? -74.263 -9.516 37.652 1.00 42.83 ? 1 NAG C O3 1 -HETATM 2715 O O4 . NAG C 3 . ? -76.523 -9.429 39.525 1.00 44.99 ? 1 NAG C O4 1 -HETATM 2716 O O5 . NAG C 3 . ? -74.969 -12.629 40.330 1.00 47.37 ? 1 NAG C O5 1 -HETATM 2717 O O6 . NAG C 3 . ? -77.536 -12.917 39.240 1.00 63.79 ? 1 NAG C O6 1 -HETATM 2718 O O7 . NAG C 3 . ? -71.777 -11.247 36.572 1.00 49.19 ? 1 NAG C O7 1 -HETATM 2719 C C1 . NAG C 3 . ? -77.703 -9.107 38.795 1.00 36.44 ? 2 NAG C C1 1 -HETATM 2720 C C2 . NAG C 3 . ? -78.487 -8.134 39.676 1.00 35.78 ? 2 NAG C C2 1 -HETATM 2721 C C3 . NAG C 3 . ? -79.798 -7.796 38.991 1.00 38.68 ? 2 NAG C C3 1 -HETATM 2722 C C4 . NAG C 3 . ? -79.560 -7.255 37.564 1.00 42.08 ? 2 NAG C C4 1 -HETATM 2723 C C5 . NAG C 3 . ? -78.690 -8.258 36.785 1.00 35.32 ? 2 NAG C C5 1 -HETATM 2724 C C6 . NAG C 3 . ? -78.436 -7.731 35.362 1.00 44.82 ? 2 NAG C C6 1 -HETATM 2725 C C7 . NAG C 3 . ? -78.014 -8.483 42.102 1.00 51.61 ? 2 NAG C C7 1 -HETATM 2726 C C8 . NAG C 3 . ? -78.357 -9.308 43.344 1.00 30.46 ? 2 NAG C C8 1 -HETATM 2727 N N2 . NAG C 3 . ? -78.718 -8.768 40.994 1.00 49.56 ? 2 NAG C N2 1 -HETATM 2728 O O3 . NAG C 3 . ? -80.506 -6.862 39.796 1.00 45.52 ? 2 NAG C O3 1 -HETATM 2729 O O4 . NAG C 3 . ? -80.804 -7.114 36.872 1.00 57.66 ? 2 NAG C O4 1 -HETATM 2730 O O5 . NAG C 3 . ? -77.454 -8.524 37.488 1.00 38.69 ? 2 NAG C O5 1 -HETATM 2731 O O6 . NAG C 3 . ? -77.454 -8.519 34.674 1.00 47.28 ? 2 NAG C O6 1 -HETATM 2732 O O7 . NAG C 3 . ? -77.129 -7.631 42.163 1.00 66.86 ? 2 NAG C O7 1 -HETATM 2733 C C1 . BMA C 3 . ? -81.367 -5.799 36.866 1.00 81.16 ? 3 BMA C C1 1 -HETATM 2734 C C2 . BMA C 3 . ? -82.085 -5.563 35.538 1.00 91.75 ? 3 BMA C C2 1 -HETATM 2735 C C3 . BMA C 3 . ? -82.248 -4.060 35.339 1.00 101.43 ? 3 BMA C C3 1 -HETATM 2736 C C4 . BMA C 3 . ? -82.892 -3.384 36.574 1.00 99.48 ? 3 BMA C C4 1 -HETATM 2737 C C5 . BMA C 3 . ? -82.642 -4.113 37.930 1.00 97.37 ? 3 BMA C C5 1 -HETATM 2738 C C6 . BMA C 3 . ? -83.827 -3.828 38.887 1.00 98.96 ? 3 BMA C C6 1 -HETATM 2739 O O2 . BMA C 3 . ? -83.379 -6.173 35.573 1.00 87.97 ? 3 BMA C O2 1 -HETATM 2740 O O3 . BMA C 3 . ? -82.949 -3.711 34.112 1.00 111.94 ? 3 BMA C O3 1 -HETATM 2741 O O4 . BMA C 3 . ? -82.351 -2.061 36.667 1.00 96.14 ? 3 BMA C O4 1 -HETATM 2742 O O5 . BMA C 3 . ? -82.378 -5.551 37.874 1.00 88.78 ? 3 BMA C O5 1 -HETATM 2743 O O6 . BMA C 3 . ? -83.597 -2.604 39.608 1.00 97.94 ? 3 BMA C O6 1 -HETATM 2744 C C1 . MAN C 3 . ? -83.822 -4.748 33.588 1.00 120.84 ? 4 MAN C C1 1 -HETATM 2745 C C2 . MAN C 3 . ? -83.322 -5.237 32.230 1.00 122.25 ? 4 MAN C C2 1 -HETATM 2746 C C3 . MAN C 3 . ? -83.419 -4.104 31.204 1.00 123.13 ? 4 MAN C C3 1 -HETATM 2747 C C4 . MAN C 3 . ? -84.862 -3.596 31.088 1.00 126.39 ? 4 MAN C C4 1 -HETATM 2748 C C5 . MAN C 3 . ? -85.468 -3.286 32.475 1.00 126.93 ? 4 MAN C C5 1 -HETATM 2749 C C6 . MAN C 3 . ? -86.996 -3.061 32.359 1.00 126.28 ? 4 MAN C C6 1 -HETATM 2750 O O2 . MAN C 3 . ? -84.127 -6.350 31.815 1.00 120.89 ? 4 MAN C O2 1 -HETATM 2751 O O3 . MAN C 3 . ? -82.959 -4.548 29.926 1.00 121.71 ? 4 MAN C O3 1 -HETATM 2752 O O4 . MAN C 3 . ? -84.876 -2.419 30.269 1.00 128.65 ? 4 MAN C O4 1 -HETATM 2753 O O5 . MAN C 3 . ? -85.221 -4.350 33.453 1.00 126.15 ? 4 MAN C O5 1 -HETATM 2754 O O6 . MAN C 3 . ? -87.304 -1.661 32.432 1.00 121.47 ? 4 MAN C O6 1 -HETATM 2755 C C1 . GLC D 4 . ? -19.537 8.854 29.741 1.00 146.50 ? 1 GLC D C1 1 -HETATM 2756 C C2 . GLC D 4 . ? -19.241 9.079 28.235 1.00 146.16 ? 1 GLC D C2 1 -HETATM 2757 C C3 . GLC D 4 . ? -20.515 8.950 27.382 1.00 143.82 ? 1 GLC D C3 1 -HETATM 2758 C C4 . GLC D 4 . ? -21.135 7.559 27.544 1.00 143.14 ? 1 GLC D C4 1 -HETATM 2759 C C5 . GLC D 4 . ? -20.718 6.887 28.875 1.00 143.26 ? 1 GLC D C5 1 -HETATM 2760 C C6 . GLC D 4 . ? -19.417 6.030 28.722 1.00 138.90 ? 1 GLC D C6 1 -HETATM 2761 O O2 . GLC D 4 . ? -18.615 10.350 28.017 1.00 146.22 ? 1 GLC D O2 1 -HETATM 2762 O O3 . GLC D 4 . ? -20.217 9.167 26.000 1.00 141.23 ? 1 GLC D O3 1 -HETATM 2763 O O4 . GLC D 4 . ? -22.559 7.677 27.473 1.00 140.32 ? 1 GLC D O4 1 -HETATM 2764 O O5 . GLC D 4 . ? -20.604 7.879 29.946 1.00 145.23 ? 1 GLC D O5 1 -HETATM 2765 O O6 . GLC D 4 . ? -19.660 4.657 29.053 1.00 131.10 ? 1 GLC D O6 1 -HETATM 2766 C C1 . GLC D 4 . ? -18.931 10.472 31.435 1.00 144.40 ? 2 GLC D C1 1 -HETATM 2767 C C2 . GLC D 4 . ? -19.095 11.986 31.683 1.00 143.11 ? 2 GLC D C2 1 -HETATM 2768 C C3 . GLC D 4 . ? -17.766 12.717 31.477 1.00 140.80 ? 2 GLC D C3 1 -HETATM 2769 C C4 . GLC D 4 . ? -16.703 12.068 32.357 1.00 141.50 ? 2 GLC D C4 1 -HETATM 2770 C C5 . GLC D 4 . ? -16.480 10.605 31.927 1.00 144.12 ? 2 GLC D C5 1 -HETATM 2771 C C6 . GLC D 4 . ? -16.322 9.703 33.166 1.00 143.92 ? 2 GLC D C6 1 -HETATM 2772 O O1 . GLC D 4 . ? -19.905 10.072 30.434 1.00 144.55 ? 2 GLC D O1 1 -HETATM 2773 O O2 . GLC D 4 . ? -20.097 12.530 30.819 1.00 143.43 ? 2 GLC D O2 1 -HETATM 2774 O O3 . GLC D 4 . ? -17.898 14.097 31.815 1.00 138.29 ? 2 GLC D O3 1 -HETATM 2775 O O4 . GLC D 4 . ? -15.485 12.807 32.268 1.00 139.43 ? 2 GLC D O4 1 -HETATM 2776 O O5 . GLC D 4 . ? -17.555 10.103 31.055 1.00 145.94 ? 2 GLC D O5 1 -HETATM 2777 O O6 . GLC D 4 . ? -15.123 10.049 33.868 1.00 142.19 ? 2 GLC D O6 1 -HETATM 2778 C C1 . RET E 5 . ? -43.073 -16.462 33.951 1.00 80.74 ? 401 RET A C1 1 -HETATM 2779 C C2 . RET E 5 . ? -43.304 -18.013 34.059 1.00 76.14 ? 401 RET A C2 1 -HETATM 2780 C C3 . RET E 5 . ? -44.521 -18.500 33.462 1.00 74.48 ? 401 RET A C3 1 -HETATM 2781 C C4 . RET E 5 . ? -45.742 -17.753 33.836 1.00 80.23 ? 401 RET A C4 1 -HETATM 2782 C C5 . RET E 5 . ? -45.593 -16.265 33.697 1.00 83.70 ? 401 RET A C5 1 -HETATM 2783 C C6 . RET E 5 . ? -44.401 -15.674 33.850 1.00 83.94 ? 401 RET A C6 1 -HETATM 2784 C C7 . RET E 5 . ? -44.254 -14.200 33.942 1.00 80.57 ? 401 RET A C7 1 -HETATM 2785 C C8 . RET E 5 . ? -44.906 -13.384 34.761 1.00 75.14 ? 401 RET A C8 1 -HETATM 2786 C C9 . RET E 5 . ? -44.760 -11.929 34.871 1.00 72.83 ? 401 RET A C9 1 -HETATM 2787 C C10 . RET E 5 . ? -45.287 -11.337 35.963 1.00 68.27 ? 401 RET A C10 1 -HETATM 2788 C C11 . RET E 5 . ? -45.276 -9.952 36.341 1.00 68.18 ? 401 RET A C11 1 -HETATM 2789 C C12 . RET E 5 . ? -45.947 -9.448 37.401 1.00 74.87 ? 401 RET A C12 1 -HETATM 2790 C C13 . RET E 5 . ? -45.955 -8.076 37.866 1.00 78.46 ? 401 RET A C13 1 -HETATM 2791 C C14 . RET E 5 . ? -46.815 -7.720 38.854 1.00 81.05 ? 401 RET A C14 1 -HETATM 2792 C C15 . RET E 5 . ? -46.969 -6.414 39.472 1.00 76.45 ? 401 RET A C15 1 -HETATM 2793 C C16 . RET E 5 . ? -42.118 -16.005 32.896 1.00 74.97 ? 401 RET A C16 1 -HETATM 2794 C C17 . RET E 5 . ? -42.415 -16.250 35.302 1.00 84.84 ? 401 RET A C17 1 -HETATM 2795 C C18 . RET E 5 . ? -46.886 -15.543 33.370 1.00 78.74 ? 401 RET A C18 1 -HETATM 2796 C C19 . RET E 5 . ? -44.041 -11.212 33.759 1.00 61.89 ? 401 RET A C19 1 -HETATM 2797 C C20 . RET E 5 . ? -44.978 -7.104 37.265 1.00 82.68 ? 401 RET A C20 1 -HETATM 2798 C C1 . NAG F 6 . ? -64.129 -25.411 42.561 1.00 114.21 ? 501 NAG A C1 1 -HETATM 2799 C C2 . NAG F 6 . ? -63.525 -26.605 41.788 1.00 114.09 ? 501 NAG A C2 1 -HETATM 2800 C C3 . NAG F 6 . ? -63.417 -27.857 42.660 1.00 117.93 ? 501 NAG A C3 1 -HETATM 2801 C C4 . NAG F 6 . ? -63.049 -27.468 44.092 1.00 123.39 ? 501 NAG A C4 1 -HETATM 2802 C C5 . NAG F 6 . ? -64.203 -26.687 44.733 1.00 124.02 ? 501 NAG A C5 1 -HETATM 2803 C C6 . NAG F 6 . ? -63.792 -26.345 46.181 1.00 122.62 ? 501 NAG A C6 1 -HETATM 2804 C C7 . NAG F 6 . ? -64.075 -26.545 39.371 1.00 113.66 ? 501 NAG A C7 1 -HETATM 2805 C C8 . NAG F 6 . ? -65.144 -26.927 38.339 1.00 109.59 ? 501 NAG A C8 1 -HETATM 2806 N N2 . NAG F 6 . ? -64.382 -26.887 40.624 1.00 114.98 ? 501 NAG A N2 1 -HETATM 2807 O O3 . NAG F 6 . ? -62.425 -28.734 42.127 1.00 118.96 ? 501 NAG A O3 1 -HETATM 2808 O O4 . NAG F 6 . ? -62.756 -28.634 44.871 1.00 126.36 ? 501 NAG A O4 1 -HETATM 2809 O O5 . NAG F 6 . ? -64.556 -25.482 43.973 1.00 119.78 ? 501 NAG A O5 1 -HETATM 2810 O O6 . NAG F 6 . ? -64.945 -26.299 47.025 1.00 121.50 ? 501 NAG A O6 1 -HETATM 2811 O O7 . NAG F 6 . ? -63.033 -25.976 39.033 1.00 109.48 ? 501 NAG A O7 1 -HETATM 2812 C C1 . BOG G 7 . ? -63.513 5.447 48.737 1.00 95.10 ? 601 BOG A C1 1 -HETATM 2813 O O1 . BOG G 7 . ? -62.486 6.162 48.017 1.00 81.85 ? 601 BOG A O1 1 -HETATM 2814 C C2 . BOG G 7 . ? -64.596 6.462 49.187 1.00 100.07 ? 601 BOG A C2 1 -HETATM 2815 O O2 . BOG G 7 . ? -64.505 6.705 50.607 1.00 103.73 ? 601 BOG A O2 1 -HETATM 2816 C C3 . BOG G 7 . ? -66.056 6.104 48.805 1.00 98.09 ? 601 BOG A C3 1 -HETATM 2817 O O3 . BOG G 7 . ? -66.477 7.013 47.791 1.00 99.99 ? 601 BOG A O3 1 -HETATM 2818 C C4 . BOG G 7 . ? -66.308 4.665 48.304 1.00 99.60 ? 601 BOG A C4 1 -HETATM 2819 O O4 . BOG G 7 . ? -67.452 4.125 48.975 1.00 94.94 ? 601 BOG A O4 1 -HETATM 2820 C C5 . BOG G 7 . ? -65.093 3.737 48.483 1.00 102.50 ? 601 BOG A C5 1 -HETATM 2821 O O5 . BOG G 7 . ? -64.002 4.418 47.856 1.00 100.89 ? 601 BOG A O5 1 -HETATM 2822 C C6 . BOG G 7 . ? -65.239 2.325 47.845 1.00 99.68 ? 601 BOG A C6 1 -HETATM 2823 O O6 . BOG G 7 . ? -64.719 1.313 48.729 1.00 86.44 ? 601 BOG A O6 1 -HETATM 2824 C "C1'" . BOG G 7 . ? -61.178 5.699 48.336 1.00 68.45 ? 601 BOG A "C1'" 1 -HETATM 2825 C "C2'" . BOG G 7 . ? -60.259 6.916 48.217 1.00 65.49 ? 601 BOG A "C2'" 1 -HETATM 2826 C "C3'" . BOG G 7 . ? -58.780 6.521 48.180 1.00 65.52 ? 601 BOG A "C3'" 1 -HETATM 2827 C "C4'" . BOG G 7 . ? -57.894 7.747 48.373 1.00 66.74 ? 601 BOG A "C4'" 1 -HETATM 2828 C "C5'" . BOG G 7 . ? -56.520 7.525 47.734 1.00 71.23 ? 601 BOG A "C5'" 1 -HETATM 2829 C "C6'" . BOG G 7 . ? -55.413 7.626 48.794 1.00 68.97 ? 601 BOG A "C6'" 1 -HETATM 2830 C "C7'" . BOG G 7 . ? -54.121 8.232 48.234 1.00 63.10 ? 601 BOG A "C7'" 1 -HETATM 2831 C "C8'" . BOG G 7 . ? -52.887 7.522 48.799 1.00 63.51 ? 601 BOG A "C8'" 1 -HETATM 2832 C C1 . BOG H 7 . ? -56.308 -15.557 56.767 1.00 120.98 ? 602 BOG A C1 1 -HETATM 2833 O O1 . BOG H 7 . ? -55.085 -14.769 56.829 1.00 114.40 ? 602 BOG A O1 1 -HETATM 2834 C C2 . BOG H 7 . ? -57.258 -14.965 57.821 1.00 121.10 ? 602 BOG A C2 1 -HETATM 2835 O O2 . BOG H 7 . ? -56.701 -15.132 59.130 1.00 116.27 ? 602 BOG A O2 1 -HETATM 2836 C C3 . BOG H 7 . ? -58.641 -15.622 57.741 1.00 123.67 ? 602 BOG A C3 1 -HETATM 2837 O O3 . BOG H 7 . ? -59.515 -15.046 58.719 1.00 119.14 ? 602 BOG A O3 1 -HETATM 2838 C C4 . BOG H 7 . ? -59.233 -15.438 56.335 1.00 126.30 ? 602 BOG A C4 1 -HETATM 2839 O O4 . BOG H 7 . ? -60.491 -16.120 56.248 1.00 127.75 ? 602 BOG A O4 1 -HETATM 2840 C C5 . BOG H 7 . ? -58.273 -15.951 55.239 1.00 124.89 ? 602 BOG A C5 1 -HETATM 2841 O O5 . BOG H 7 . ? -56.870 -15.570 55.408 1.00 124.78 ? 602 BOG A O5 1 -HETATM 2842 C C6 . BOG H 7 . ? -58.716 -15.376 53.880 1.00 122.00 ? 602 BOG A C6 1 -HETATM 2843 O O6 . BOG H 7 . ? -59.732 -16.200 53.302 1.00 120.31 ? 602 BOG A O6 1 -HETATM 2844 C "C1'" . BOG H 7 . ? -54.292 -14.867 55.624 1.00 106.13 ? 602 BOG A "C1'" 1 -HETATM 2845 C "C2'" . BOG H 7 . ? -54.346 -13.567 54.811 1.00 97.49 ? 602 BOG A "C2'" 1 -HETATM 2846 C "C3'" . BOG H 7 . ? -53.966 -12.351 55.662 1.00 93.90 ? 602 BOG A "C3'" 1 -HETATM 2847 C "C4'" . BOG H 7 . ? -52.845 -11.531 55.012 1.00 88.25 ? 602 BOG A "C4'" 1 -HETATM 2848 C "C5'" . BOG H 7 . ? -53.415 -10.393 54.164 1.00 81.86 ? 602 BOG A "C5'" 1 -HETATM 2849 C "C6'" . BOG H 7 . ? -53.330 -10.722 52.669 1.00 73.99 ? 602 BOG A "C6'" 1 -HETATM 2850 C "C7'" . BOG H 7 . ? -53.555 -9.469 51.820 1.00 68.11 ? 602 BOG A "C7'" 1 -HETATM 2851 C "C8'" . BOG H 7 . ? -52.226 -8.815 51.420 1.00 68.81 ? 602 BOG A "C8'" 1 -HETATM 2852 C C1 . PLM I 8 . ? -25.148 14.419 55.786 1.00 85.85 ? 701 PLM A C1 1 -HETATM 2853 O O2 . PLM I 8 . ? -24.126 13.985 56.372 1.00 91.27 ? 701 PLM A O2 1 -HETATM 2854 C C2 . PLM I 8 . ? -26.456 14.474 56.597 1.00 77.77 ? 701 PLM A C2 1 -HETATM 2855 C C3 . PLM I 8 . ? -27.298 13.201 56.448 1.00 78.12 ? 701 PLM A C3 1 -HETATM 2856 C C4 . PLM I 8 . ? -27.431 12.446 57.782 1.00 76.18 ? 701 PLM A C4 1 -HETATM 2857 C C5 . PLM I 8 . ? -28.856 11.925 57.977 1.00 70.53 ? 701 PLM A C5 1 -HETATM 2858 C C6 . PLM I 8 . ? -28.946 10.948 59.153 1.00 72.39 ? 701 PLM A C6 1 -HETATM 2859 C C7 . PLM I 8 . ? -30.410 10.722 59.569 1.00 64.56 ? 701 PLM A C7 1 -HETATM 2860 C C8 . PLM I 8 . ? -30.876 9.301 59.228 1.00 65.71 ? 701 PLM A C8 1 -HETATM 2861 C C9 . PLM I 8 . ? -32.346 9.313 58.796 1.00 67.40 ? 701 PLM A C9 1 -HETATM 2862 C CA . PLM I 8 . ? -32.862 7.908 58.467 1.00 67.57 ? 701 PLM A CA 1 -HETATM 2863 C CB . PLM I 8 . ? -34.290 7.993 57.933 1.00 67.59 ? 701 PLM A CB 1 -HETATM 2864 C CC . PLM I 8 . ? -35.184 6.910 58.532 1.00 69.80 ? 701 PLM A CC 1 -HETATM 2865 C CD . PLM I 8 . ? -36.651 7.353 58.499 1.00 68.69 ? 701 PLM A CD 1 -HETATM 2866 C CE . PLM I 8 . ? -37.513 6.360 57.715 1.00 67.30 ? 701 PLM A CE 1 -HETATM 2867 C CF . PLM I 8 . ? -38.967 6.838 57.635 1.00 69.64 ? 701 PLM A CF 1 -HETATM 2868 C CG . PLM I 8 . ? -39.953 5.723 58.006 1.00 60.97 ? 701 PLM A CG 1 -HETATM 2869 S S . SO4 J 9 . ? -57.725 -17.492 49.243 1.00 99.05 ? 801 SO4 A S 1 -HETATM 2870 O O1 . SO4 J 9 . ? -58.681 -18.587 49.089 1.00 103.53 ? 801 SO4 A O1 1 -HETATM 2871 O O2 . SO4 J 9 . ? -56.672 -17.622 48.238 1.00 101.92 ? 801 SO4 A O2 1 -HETATM 2872 O O3 . SO4 J 9 . ? -58.399 -16.210 49.056 1.00 103.29 ? 801 SO4 A O3 1 -HETATM 2873 O O4 . SO4 J 9 . ? -57.152 -17.537 50.587 1.00 101.86 ? 801 SO4 A O4 1 -HETATM 2874 C C . ACT K 10 . ? -37.392 5.305 53.976 1.00 76.35 ? 901 ACT A C 1 -HETATM 2875 O O . ACT K 10 . ? -37.369 6.504 53.597 1.00 75.76 ? 901 ACT A O 1 -HETATM 2876 O OXT . ACT K 10 . ? -36.319 4.660 53.874 1.00 76.11 ? 901 ACT A OXT 1 -HETATM 2877 C CH3 . ACT K 10 . ? -38.637 4.670 54.520 1.00 73.63 ? 901 ACT A CH3 1 -HETATM 2878 C C . ACT L 10 . ? -1.941 -11.342 47.044 1.00 81.36 ? 902 ACT A C 1 -HETATM 2879 O O . ACT L 10 . ? -2.749 -12.013 47.732 1.00 80.65 ? 902 ACT A O 1 -HETATM 2880 O OXT . ACT L 10 . ? -1.151 -10.636 47.707 1.00 83.46 ? 902 ACT A OXT 1 -HETATM 2881 C CH3 . ACT L 10 . ? -1.906 -11.373 45.536 1.00 77.03 ? 902 ACT A CH3 1 -HETATM 2882 O O . HOH M 11 . ? -33.682 -11.827 41.708 1.00 39.88 ? 349 HOH A O 1 -HETATM 2883 O O . HOH M 11 . ? -36.350 -6.603 40.125 1.00 47.12 ? 350 HOH A O 1 -HETATM 2884 O O . HOH M 11 . ? -25.390 -3.966 28.979 1.00 51.11 ? 351 HOH A O 1 -HETATM 2885 O O . HOH M 11 . ? 0.667 -19.075 40.531 1.00 42.92 ? 352 HOH A O 1 -HETATM 2886 O O . HOH M 11 . ? -54.684 -7.181 42.728 1.00 54.35 ? 353 HOH A O 1 -HETATM 2887 O O . HOH M 11 . ? -17.823 -21.382 28.726 1.00 59.27 ? 354 HOH A O 1 -HETATM 2888 O O . HOH M 11 . ? -50.645 -8.132 40.589 1.00 61.00 ? 355 HOH A O 1 -HETATM 2889 O O . HOH M 11 . ? -31.011 -12.755 40.899 1.00 42.30 ? 356 HOH A O 1 -HETATM 2890 O O . HOH M 11 . ? -69.828 -11.271 34.828 1.00 42.86 ? 357 HOH A O 1 -HETATM 2891 O O . HOH M 11 . ? -60.476 -0.856 50.371 1.00 31.57 ? 358 HOH A O 1 -HETATM 2892 O O . HOH M 11 . ? -60.454 -1.771 53.180 1.00 51.59 ? 359 HOH A O 1 -HETATM 2893 O O . HOH M 11 . ? -70.026 -18.591 40.022 1.00 43.02 ? 360 HOH A O 1 -HETATM 2894 O O . HOH M 11 . ? -71.553 -16.778 46.048 1.00 48.12 ? 361 HOH A O 1 -HETATM 2895 O O . HOH M 11 . ? -72.698 -14.816 37.802 1.00 61.69 ? 362 HOH A O 1 -HETATM 2896 O O . HOH M 11 . ? -9.401 -19.790 35.434 1.00 66.91 ? 363 HOH A O 1 -HETATM 2897 O O . HOH M 11 . ? -62.046 -5.494 57.660 1.00 51.86 ? 364 HOH A O 1 -HETATM 2898 O O . HOH M 11 . ? -24.877 15.268 47.615 1.00 69.36 ? 365 HOH A O 1 -HETATM 2899 O O . HOH M 11 . ? -52.917 -1.626 39.733 1.00 62.31 ? 366 HOH A O 1 -HETATM 2900 O O . HOH M 11 . ? -18.958 12.650 43.585 1.00 62.30 ? 367 HOH A O 1 -HETATM 2901 O O . HOH N 11 . ? -7.074 -13.932 33.542 1.00 64.94 ? 4 HOH B O 1 -HETATM 2902 O O . HOH N 11 . ? -5.761 -15.193 36.095 1.00 54.61 ? 5 HOH B O 1 -HETATM 2903 O O . HOH N 11 . ? -5.438 -8.792 37.324 1.00 50.18 ? 21 HOH B O 1 -HETATM 2904 O O . HOH N 11 . ? -7.911 -9.873 36.016 1.00 68.04 ? 23 HOH B O 1 -# -loop_ -_pdbx_poly_seq_scheme.asym_id -_pdbx_poly_seq_scheme.entity_id -_pdbx_poly_seq_scheme.seq_id -_pdbx_poly_seq_scheme.mon_id -_pdbx_poly_seq_scheme.ndb_seq_num -_pdbx_poly_seq_scheme.pdb_seq_num -_pdbx_poly_seq_scheme.auth_seq_num -_pdbx_poly_seq_scheme.pdb_mon_id -_pdbx_poly_seq_scheme.auth_mon_id -_pdbx_poly_seq_scheme.pdb_strand_id -_pdbx_poly_seq_scheme.pdb_ins_code -_pdbx_poly_seq_scheme.hetero -A 1 1 MET 1 1 1 MET MET A . n -A 1 2 ASN 2 2 2 ASN ASN A . n -A 1 3 GLY 3 3 3 GLY GLY A . n -A 1 4 THR 4 4 4 THR THR A . n -A 1 5 GLU 5 5 5 GLU GLU A . n -A 1 6 GLY 6 6 6 GLY GLY A . n -A 1 7 PRO 7 7 7 PRO PRO A . n -A 1 8 ASN 8 8 8 ASN ASN A . n -A 1 9 PHE 9 9 9 PHE PHE A . n -A 1 10 TYR 10 10 10 TYR TYR A . n -A 1 11 VAL 11 11 11 VAL VAL A . n -A 1 12 PRO 12 12 12 PRO PRO A . n -A 1 13 PHE 13 13 13 PHE PHE A . n -A 1 14 SER 14 14 14 SER SER A . n -A 1 15 ASN 15 15 15 ASN ASN A . n -A 1 16 LYS 16 16 16 LYS LYS A . n -A 1 17 THR 17 17 17 THR THR A . n -A 1 18 GLY 18 18 18 GLY GLY A . n -A 1 19 VAL 19 19 19 VAL VAL A . n -A 1 20 VAL 20 20 20 VAL VAL A . n -A 1 21 ARG 21 21 21 ARG ARG A . n -A 1 22 SER 22 22 22 SER SER A . n -A 1 23 PRO 23 23 23 PRO PRO A . n -A 1 24 PHE 24 24 24 PHE PHE A . n -A 1 25 GLU 25 25 25 GLU GLU A . n -A 1 26 ALA 26 26 26 ALA ALA A . n -A 1 27 PRO 27 27 27 PRO PRO A . n -A 1 28 GLN 28 28 28 GLN GLN A . n -A 1 29 TYR 29 29 29 TYR TYR A . n -A 1 30 TYR 30 30 30 TYR TYR A . n -A 1 31 LEU 31 31 31 LEU LEU A . n -A 1 32 ALA 32 32 32 ALA ALA A . n -A 1 33 GLU 33 33 33 GLU GLU A . n -A 1 34 PRO 34 34 34 PRO PRO A . n -A 1 35 TRP 35 35 35 TRP TRP A . n -A 1 36 GLN 36 36 36 GLN GLN A . n -A 1 37 PHE 37 37 37 PHE PHE A . n -A 1 38 SER 38 38 38 SER SER A . n -A 1 39 MET 39 39 39 MET MET A . n -A 1 40 LEU 40 40 40 LEU LEU A . n -A 1 41 ALA 41 41 41 ALA ALA A . n -A 1 42 ALA 42 42 42 ALA ALA A . n -A 1 43 TYR 43 43 43 TYR TYR A . n -A 1 44 MET 44 44 44 MET MET A . n -A 1 45 PHE 45 45 45 PHE PHE A . n -A 1 46 LEU 46 46 46 LEU LEU A . n -A 1 47 LEU 47 47 47 LEU LEU A . n -A 1 48 ILE 48 48 48 ILE ILE A . n -A 1 49 MET 49 49 49 MET MET A . n -A 1 50 LEU 50 50 50 LEU LEU A . n -A 1 51 GLY 51 51 51 GLY GLY A . n -A 1 52 PHE 52 52 52 PHE PHE A . n -A 1 53 PRO 53 53 53 PRO PRO A . n -A 1 54 ILE 54 54 54 ILE ILE A . n -A 1 55 ASN 55 55 55 ASN ASN A . n -A 1 56 PHE 56 56 56 PHE PHE A . n -A 1 57 LEU 57 57 57 LEU LEU A . n -A 1 58 THR 58 58 58 THR THR A . n -A 1 59 LEU 59 59 59 LEU LEU A . n -A 1 60 TYR 60 60 60 TYR TYR A . n -A 1 61 VAL 61 61 61 VAL VAL A . n -A 1 62 THR 62 62 62 THR THR A . n -A 1 63 VAL 63 63 63 VAL VAL A . n -A 1 64 GLN 64 64 64 GLN GLN A . n -A 1 65 HIS 65 65 65 HIS HIS A . n -A 1 66 LYS 66 66 66 LYS LYS A . n -A 1 67 LYS 67 67 67 LYS LYS A . n -A 1 68 LEU 68 68 68 LEU LEU A . n -A 1 69 ARG 69 69 69 ARG ARG A . n -A 1 70 THR 70 70 70 THR THR A . n -A 1 71 PRO 71 71 71 PRO PRO A . n -A 1 72 LEU 72 72 72 LEU LEU A . n -A 1 73 ASN 73 73 73 ASN ASN A . n -A 1 74 TYR 74 74 74 TYR TYR A . n -A 1 75 ILE 75 75 75 ILE ILE A . n -A 1 76 LEU 76 76 76 LEU LEU A . n -A 1 77 LEU 77 77 77 LEU LEU A . n -A 1 78 ASN 78 78 78 ASN ASN A . n -A 1 79 LEU 79 79 79 LEU LEU A . n -A 1 80 ALA 80 80 80 ALA ALA A . n -A 1 81 VAL 81 81 81 VAL VAL A . n -A 1 82 ALA 82 82 82 ALA ALA A . n -A 1 83 ASP 83 83 83 ASP ASP A . n -A 1 84 LEU 84 84 84 LEU LEU A . n -A 1 85 PHE 85 85 85 PHE PHE A . n -A 1 86 MET 86 86 86 MET MET A . n -A 1 87 VAL 87 87 87 VAL VAL A . n -A 1 88 PHE 88 88 88 PHE PHE A . n -A 1 89 GLY 89 89 89 GLY GLY A . n -A 1 90 GLY 90 90 90 GLY GLY A . n -A 1 91 PHE 91 91 91 PHE PHE A . n -A 1 92 THR 92 92 92 THR THR A . n -A 1 93 THR 93 93 93 THR THR A . n -A 1 94 THR 94 94 94 THR THR A . n -A 1 95 LEU 95 95 95 LEU LEU A . n -A 1 96 TYR 96 96 96 TYR TYR A . n -A 1 97 THR 97 97 97 THR THR A . n -A 1 98 SER 98 98 98 SER SER A . n -A 1 99 LEU 99 99 99 LEU LEU A . n -A 1 100 HIS 100 100 100 HIS HIS A . n -A 1 101 GLY 101 101 101 GLY GLY A . n -A 1 102 TYR 102 102 102 TYR TYR A . n -A 1 103 PHE 103 103 103 PHE PHE A . n -A 1 104 VAL 104 104 104 VAL VAL A . n -A 1 105 PHE 105 105 105 PHE PHE A . n -A 1 106 GLY 106 106 106 GLY GLY A . n -A 1 107 PRO 107 107 107 PRO PRO A . n -A 1 108 THR 108 108 108 THR THR A . n -A 1 109 GLY 109 109 109 GLY GLY A . n -A 1 110 CYS 110 110 110 CYS CYS A . n -A 1 111 ASN 111 111 111 ASN ASN A . n -A 1 112 LEU 112 112 112 LEU LEU A . n -A 1 113 GLU 113 113 113 GLU GLU A . n -A 1 114 GLY 114 114 114 GLY GLY A . n -A 1 115 PHE 115 115 115 PHE PHE A . n -A 1 116 PHE 116 116 116 PHE PHE A . n -A 1 117 ALA 117 117 117 ALA ALA A . n -A 1 118 THR 118 118 118 THR THR A . n -A 1 119 LEU 119 119 119 LEU LEU A . n -A 1 120 GLY 120 120 120 GLY GLY A . n -A 1 121 GLY 121 121 121 GLY GLY A . n -A 1 122 GLU 122 122 122 GLU GLU A . n -A 1 123 ILE 123 123 123 ILE ILE A . n -A 1 124 ALA 124 124 124 ALA ALA A . n -A 1 125 LEU 125 125 125 LEU LEU A . n -A 1 126 TRP 126 126 126 TRP TRP A . n -A 1 127 SER 127 127 127 SER SER A . n -A 1 128 LEU 128 128 128 LEU LEU A . n -A 1 129 VAL 129 129 129 VAL VAL A . n -A 1 130 VAL 130 130 130 VAL VAL A . n -A 1 131 LEU 131 131 131 LEU LEU A . n -A 1 132 ALA 132 132 132 ALA ALA A . n -A 1 133 ILE 133 133 133 ILE ILE A . n -A 1 134 GLU 134 134 134 GLU GLU A . n -A 1 135 ARG 135 135 135 ARG ARG A . n -A 1 136 TYR 136 136 136 TYR TYR A . n -A 1 137 VAL 137 137 137 VAL VAL A . n -A 1 138 VAL 138 138 138 VAL VAL A . n -A 1 139 VAL 139 139 139 VAL VAL A . n -A 1 140 CYS 140 140 140 CYS CYS A . n -A 1 141 LYS 141 141 141 LYS LYS A . n -A 1 142 PRO 142 142 142 PRO PRO A . n -A 1 143 MET 143 143 143 MET MET A . n -A 1 144 SER 144 144 144 SER SER A . n -A 1 145 ASN 145 145 145 ASN ASN A . n -A 1 146 PHE 146 146 146 PHE PHE A . n -A 1 147 ARG 147 147 147 ARG ARG A . n -A 1 148 PHE 148 148 148 PHE PHE A . n -A 1 149 GLY 149 149 149 GLY GLY A . n -A 1 150 GLU 150 150 150 GLU GLU A . n -A 1 151 ASN 151 151 151 ASN ASN A . n -A 1 152 HIS 152 152 152 HIS HIS A . n -A 1 153 ALA 153 153 153 ALA ALA A . n -A 1 154 ILE 154 154 154 ILE ILE A . n -A 1 155 MET 155 155 155 MET MET A . n -A 1 156 GLY 156 156 156 GLY GLY A . n -A 1 157 VAL 157 157 157 VAL VAL A . n -A 1 158 ALA 158 158 158 ALA ALA A . n -A 1 159 PHE 159 159 159 PHE PHE A . n -A 1 160 THR 160 160 160 THR THR A . n -A 1 161 TRP 161 161 161 TRP TRP A . n -A 1 162 VAL 162 162 162 VAL VAL A . n -A 1 163 MET 163 163 163 MET MET A . n -A 1 164 ALA 164 164 164 ALA ALA A . n -A 1 165 LEU 165 165 165 LEU LEU A . n -A 1 166 ALA 166 166 166 ALA ALA A . n -A 1 167 CYS 167 167 167 CYS CYS A . n -A 1 168 ALA 168 168 168 ALA ALA A . n -A 1 169 ALA 169 169 169 ALA ALA A . n -A 1 170 PRO 170 170 170 PRO PRO A . n -A 1 171 PRO 171 171 171 PRO PRO A . n -A 1 172 LEU 172 172 172 LEU LEU A . n -A 1 173 VAL 173 173 173 VAL VAL A . n -A 1 174 GLY 174 174 174 GLY GLY A . n -A 1 175 TRP 175 175 175 TRP TRP A . n -A 1 176 SER 176 176 176 SER SER A . n -A 1 177 ARG 177 177 177 ARG ARG A . n -A 1 178 TYR 178 178 178 TYR TYR A . n -A 1 179 ILE 179 179 179 ILE ILE A . n -A 1 180 PRO 180 180 180 PRO PRO A . n -A 1 181 GLU 181 181 181 GLU GLU A . n -A 1 182 GLY 182 182 182 GLY GLY A . n -A 1 183 MET 183 183 183 MET MET A . n -A 1 184 GLN 184 184 184 GLN GLN A . n -A 1 185 CYS 185 185 185 CYS CYS A . n -A 1 186 SER 186 186 186 SER SER A . n -A 1 187 CYS 187 187 187 CYS CYS A . n -A 1 188 GLY 188 188 188 GLY GLY A . n -A 1 189 ILE 189 189 189 ILE ILE A . n -A 1 190 ASP 190 190 190 ASP ASP A . n -A 1 191 TYR 191 191 191 TYR TYR A . n -A 1 192 TYR 192 192 192 TYR TYR A . n -A 1 193 THR 193 193 193 THR THR A . n -A 1 194 PRO 194 194 194 PRO PRO A . n -A 1 195 HIS 195 195 195 HIS HIS A . n -A 1 196 GLU 196 196 196 GLU GLU A . n -A 1 197 GLU 197 197 197 GLU GLU A . n -A 1 198 THR 198 198 198 THR THR A . n -A 1 199 ASN 199 199 199 ASN ASN A . n -A 1 200 ASN 200 200 200 ASN ASN A . n -A 1 201 GLU 201 201 201 GLU GLU A . n -A 1 202 SER 202 202 202 SER SER A . n -A 1 203 PHE 203 203 203 PHE PHE A . n -A 1 204 VAL 204 204 204 VAL VAL A . n -A 1 205 ILE 205 205 205 ILE ILE A . n -A 1 206 TYR 206 206 206 TYR TYR A . n -A 1 207 MET 207 207 207 MET MET A . n -A 1 208 PHE 208 208 208 PHE PHE A . n -A 1 209 VAL 209 209 209 VAL VAL A . n -A 1 210 VAL 210 210 210 VAL VAL A . n -A 1 211 HIS 211 211 211 HIS HIS A . n -A 1 212 PHE 212 212 212 PHE PHE A . n -A 1 213 ILE 213 213 213 ILE ILE A . n -A 1 214 ILE 214 214 214 ILE ILE A . n -A 1 215 PRO 215 215 215 PRO PRO A . n -A 1 216 LEU 216 216 216 LEU LEU A . n -A 1 217 ILE 217 217 217 ILE ILE A . n -A 1 218 VAL 218 218 218 VAL VAL A . n -A 1 219 ILE 219 219 219 ILE ILE A . n -A 1 220 PHE 220 220 220 PHE PHE A . n -A 1 221 PHE 221 221 221 PHE PHE A . n -A 1 222 CYS 222 222 222 CYS CYS A . n -A 1 223 TYR 223 223 223 TYR TYR A . n -A 1 224 GLY 224 224 224 GLY GLY A . n -A 1 225 GLN 225 225 225 GLN GLN A . n -A 1 226 LEU 226 226 226 LEU LEU A . n -A 1 227 VAL 227 227 227 VAL VAL A . n -A 1 228 PHE 228 228 228 PHE PHE A . n -A 1 229 THR 229 229 229 THR THR A . n -A 1 230 VAL 230 230 230 VAL VAL A . n -A 1 231 LYS 231 231 231 LYS LYS A . n -A 1 232 GLU 232 232 232 GLU GLU A . n -A 1 233 ALA 233 233 233 ALA ALA A . n -A 1 234 ALA 234 234 234 ALA ALA A . n -A 1 235 ALA 235 235 235 ALA ALA A . n -A 1 236 GLN 236 236 236 GLN GLN A . n -A 1 237 GLN 237 237 237 GLN GLN A . n -A 1 238 GLN 238 238 238 GLN GLN A . n -A 1 239 GLU 239 239 239 GLU GLU A . n -A 1 240 SER 240 240 240 SER SER A . n -A 1 241 ALA 241 241 241 ALA ALA A . n -A 1 242 THR 242 242 242 THR THR A . n -A 1 243 THR 243 243 243 THR THR A . n -A 1 244 GLN 244 244 244 GLN GLN A . n -A 1 245 LYS 245 245 245 LYS LYS A . n -A 1 246 ALA 246 246 246 ALA ALA A . n -A 1 247 GLU 247 247 247 GLU GLU A . n -A 1 248 LYS 248 248 248 LYS LYS A . n -A 1 249 GLU 249 249 249 GLU GLU A . n -A 1 250 VAL 250 250 250 VAL VAL A . n -A 1 251 THR 251 251 251 THR THR A . n -A 1 252 ARG 252 252 252 ARG ARG A . n -A 1 253 MET 253 253 253 MET MET A . n -A 1 254 VAL 254 254 254 VAL VAL A . n -A 1 255 ILE 255 255 255 ILE ILE A . n -A 1 256 ILE 256 256 256 ILE ILE A . n -A 1 257 MET 257 257 257 MET MET A . n -A 1 258 VAL 258 258 258 VAL VAL A . n -A 1 259 ILE 259 259 259 ILE ILE A . n -A 1 260 ALA 260 260 260 ALA ALA A . n -A 1 261 PHE 261 261 261 PHE PHE A . n -A 1 262 LEU 262 262 262 LEU LEU A . n -A 1 263 ILE 263 263 263 ILE ILE A . n -A 1 264 CYS 264 264 264 CYS CYS A . n -A 1 265 TRP 265 265 265 TRP TRP A . n -A 1 266 LEU 266 266 266 LEU LEU A . n -A 1 267 PRO 267 267 267 PRO PRO A . n -A 1 268 TYR 268 268 268 TYR TYR A . n -A 1 269 ALA 269 269 269 ALA ALA A . n -A 1 270 GLY 270 270 270 GLY GLY A . n -A 1 271 VAL 271 271 271 VAL VAL A . n -A 1 272 ALA 272 272 272 ALA ALA A . n -A 1 273 PHE 273 273 273 PHE PHE A . n -A 1 274 TYR 274 274 274 TYR TYR A . n -A 1 275 ILE 275 275 275 ILE ILE A . n -A 1 276 PHE 276 276 276 PHE PHE A . n -A 1 277 THR 277 277 277 THR THR A . n -A 1 278 HIS 278 278 278 HIS HIS A . n -A 1 279 GLN 279 279 279 GLN GLN A . n -A 1 280 GLY 280 280 280 GLY GLY A . n -A 1 281 SER 281 281 281 SER SER A . n -A 1 282 ASP 282 282 282 ASP ASP A . n -A 1 283 PHE 283 283 283 PHE PHE A . n -A 1 284 GLY 284 284 284 GLY GLY A . n -A 1 285 PRO 285 285 285 PRO PRO A . n -A 1 286 ILE 286 286 286 ILE ILE A . n -A 1 287 PHE 287 287 287 PHE PHE A . n -A 1 288 MET 288 288 288 MET MET A . n -A 1 289 THR 289 289 289 THR THR A . n -A 1 290 ILE 290 290 290 ILE ILE A . n -A 1 291 PRO 291 291 291 PRO PRO A . n -A 1 292 ALA 292 292 292 ALA ALA A . n -A 1 293 PHE 293 293 293 PHE PHE A . n -A 1 294 PHE 294 294 294 PHE PHE A . n -A 1 295 ALA 295 295 295 ALA ALA A . n -A 1 296 LYS 296 296 296 LYS LYS A . n -A 1 297 THR 297 297 297 THR THR A . n -A 1 298 SER 298 298 298 SER SER A . n -A 1 299 ALA 299 299 299 ALA ALA A . n -A 1 300 VAL 300 300 300 VAL VAL A . n -A 1 301 TYR 301 301 301 TYR TYR A . n -A 1 302 ASN 302 302 302 ASN ASN A . n -A 1 303 PRO 303 303 303 PRO PRO A . n -A 1 304 VAL 304 304 304 VAL VAL A . n -A 1 305 ILE 305 305 305 ILE ILE A . n -A 1 306 TYR 306 306 306 TYR TYR A . n -A 1 307 ILE 307 307 307 ILE ILE A . n -A 1 308 MET 308 308 308 MET MET A . n -A 1 309 MET 309 309 309 MET MET A . n -A 1 310 ASN 310 310 310 ASN ASN A . n -A 1 311 LYS 311 311 311 LYS LYS A . n -A 1 312 GLN 312 312 312 GLN GLN A . n -A 1 313 PHE 313 313 313 PHE PHE A . n -A 1 314 ARG 314 314 314 ARG ARG A . n -A 1 315 ASN 315 315 315 ASN ASN A . n -A 1 316 CYS 316 316 316 CYS CYS A . n -A 1 317 MET 317 317 317 MET MET A . n -A 1 318 VAL 318 318 318 VAL VAL A . n -A 1 319 THR 319 319 319 THR THR A . n -A 1 320 THR 320 320 320 THR THR A . n -A 1 321 LEU 321 321 321 LEU LEU A . n -A 1 322 CYS 322 322 322 CYS CYS A . n -A 1 323 CYS 323 323 323 CYS CYS A . n -A 1 324 GLY 324 324 324 GLY GLY A . n -A 1 325 LYS 325 325 325 LYS LYS A . n -A 1 326 ASN 326 326 326 ASN ASN A . n -A 1 327 PRO 327 327 ? ? ? A . n -A 1 328 LEU 328 328 ? ? ? A . n -A 1 329 GLY 329 329 ? ? ? A . n -A 1 330 ASP 330 330 ? ? ? A . n -A 1 331 ASP 331 331 ? ? ? A . n -A 1 332 GLU 332 332 ? ? ? A . n -A 1 333 ALA 333 333 ? ? ? A . n -A 1 334 SER 334 334 ? ? ? A . n -A 1 335 THR 335 335 ? ? ? A . n -A 1 336 THR 336 336 ? ? ? A . n -A 1 337 VAL 337 337 ? ? ? A . n -A 1 338 SER 338 338 ? ? ? A . n -A 1 339 LYS 339 339 ? ? ? A . n -A 1 340 THR 340 340 ? ? ? A . n -A 1 341 GLU 341 341 ? ? ? A . n -A 1 342 THR 342 342 ? ? ? A . n -A 1 343 SER 343 343 ? ? ? A . n -A 1 344 GLN 344 344 ? ? ? A . n -A 1 345 VAL 345 345 ? ? ? A . n -A 1 346 ALA 346 346 ? ? ? A . n -A 1 347 PRO 347 347 ? ? ? A . n -A 1 348 ALA 348 348 ? ? ? A . n -B 2 1 ILE 1 340 340 ILE ILE B . n -B 2 2 LEU 2 341 341 LEU LEU B . n -B 2 3 GLU 3 342 342 GLU GLU B . n -B 2 4 ASN 4 343 343 ASN ASN B . n -B 2 5 LEU 5 344 344 LEU LEU B . n -B 2 6 LYS 6 345 345 LYS LYS B . n -B 2 7 ASP 7 346 346 ASP ASP B . n -B 2 8 VAL 8 347 347 VAL VAL B . n -B 2 9 GLY 9 348 348 GLY GLY B . n -B 2 10 LEU 10 349 349 LEU LEU B . n -B 2 11 PHE 11 350 350 PHE PHE B . n -# -loop_ -_pdbx_nonpoly_scheme.asym_id -_pdbx_nonpoly_scheme.entity_id -_pdbx_nonpoly_scheme.mon_id -_pdbx_nonpoly_scheme.ndb_seq_num -_pdbx_nonpoly_scheme.pdb_seq_num -_pdbx_nonpoly_scheme.auth_seq_num -_pdbx_nonpoly_scheme.pdb_mon_id -_pdbx_nonpoly_scheme.auth_mon_id -_pdbx_nonpoly_scheme.pdb_strand_id -_pdbx_nonpoly_scheme.pdb_ins_code -E 5 RET 1 401 401 RET RET A . -F 6 NAG 1 501 501 NAG NAG A . -G 7 BOG 1 601 601 BOG BOG A . -H 7 BOG 1 602 602 BOG BOG A . -I 8 PLM 1 701 701 PLM PLM A . -J 9 SO4 1 801 801 SO4 SO4 A . -K 10 ACT 1 901 901 ACT ACT A . -L 10 ACT 1 902 902 ACT ACT A . -M 11 HOH 1 349 1 HOH HOH A . -M 11 HOH 2 350 2 HOH HOH A . -M 11 HOH 3 351 3 HOH HOH A . -M 11 HOH 4 352 6 HOH HOH A . -M 11 HOH 5 353 7 HOH HOH A . -M 11 HOH 6 354 8 HOH HOH A . -M 11 HOH 7 355 9 HOH HOH A . -M 11 HOH 8 356 10 HOH HOH A . -M 11 HOH 9 357 11 HOH HOH A . -M 11 HOH 10 358 12 HOH HOH A . -M 11 HOH 11 359 13 HOH HOH A . -M 11 HOH 12 360 14 HOH HOH A . -M 11 HOH 13 361 15 HOH HOH A . -M 11 HOH 14 362 16 HOH HOH A . -M 11 HOH 15 363 17 HOH HOH A . -M 11 HOH 16 364 18 HOH HOH A . -M 11 HOH 17 365 19 HOH HOH A . -M 11 HOH 18 366 20 HOH HOH A . -M 11 HOH 19 367 22 HOH HOH A . -N 11 HOH 1 4 4 HOH HOH B . -N 11 HOH 2 5 5 HOH HOH B . -N 11 HOH 3 21 21 HOH HOH B . -N 11 HOH 4 23 23 HOH HOH B . -# -_pdbx_molecule_features.prd_id PRD_900006 -_pdbx_molecule_features.name trehalose -_pdbx_molecule_features.type Oligosaccharide -_pdbx_molecule_features.class Nutrient -_pdbx_molecule_features.details 'oligosaccharide with reducing-end-to-reducing-end glycosidic bond' -# -_pdbx_molecule.instance_id 1 -_pdbx_molecule.prd_id PRD_900006 -_pdbx_molecule.asym_id D -# -loop_ -_pdbx_struct_mod_residue.id -_pdbx_struct_mod_residue.label_asym_id -_pdbx_struct_mod_residue.label_comp_id -_pdbx_struct_mod_residue.label_seq_id -_pdbx_struct_mod_residue.auth_asym_id -_pdbx_struct_mod_residue.auth_comp_id -_pdbx_struct_mod_residue.auth_seq_id -_pdbx_struct_mod_residue.PDB_ins_code -_pdbx_struct_mod_residue.parent_comp_id -_pdbx_struct_mod_residue.details -1 A ASN 15 A ASN 15 ? ASN 'GLYCOSYLATION SITE' -2 A ASN 2 A ASN 2 ? ASN 'GLYCOSYLATION SITE' -# -loop_ -_pdbx_struct_assembly.id -_pdbx_struct_assembly.details -_pdbx_struct_assembly.method_details -_pdbx_struct_assembly.oligomeric_details -_pdbx_struct_assembly.oligomeric_count -1 author_and_software_defined_assembly PISA dimeric 2 -2 software_defined_assembly PISA tetrameric 4 -# -loop_ -_pdbx_struct_assembly_gen.assembly_id -_pdbx_struct_assembly_gen.oper_expression -_pdbx_struct_assembly_gen.asym_id_list -1 1 A,B,C,D,E,F,G,H,I,J,K,L,M,N -2 1,2 A,B,C,D,E,F,G,H,I,J,K,L,M,N -# -loop_ -_pdbx_struct_assembly_prop.biol_id -_pdbx_struct_assembly_prop.type -_pdbx_struct_assembly_prop.value -_pdbx_struct_assembly_prop.details -1 'ABSA (A^2)' 4400 ? -1 MORE -13 ? -1 'SSA (A^2)' 17630 ? -2 'ABSA (A^2)' 11990 ? -2 MORE -42 ? -2 'SSA (A^2)' 32070 ? -# -loop_ -_pdbx_struct_oper_list.id -_pdbx_struct_oper_list.type -_pdbx_struct_oper_list.name -_pdbx_struct_oper_list.symmetry_operation -_pdbx_struct_oper_list.matrix[1][1] -_pdbx_struct_oper_list.matrix[1][2] -_pdbx_struct_oper_list.matrix[1][3] -_pdbx_struct_oper_list.vector[1] -_pdbx_struct_oper_list.matrix[2][1] -_pdbx_struct_oper_list.matrix[2][2] -_pdbx_struct_oper_list.matrix[2][3] -_pdbx_struct_oper_list.vector[2] -_pdbx_struct_oper_list.matrix[3][1] -_pdbx_struct_oper_list.matrix[3][2] -_pdbx_struct_oper_list.matrix[3][3] -_pdbx_struct_oper_list.vector[3] -1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 -2 'crystal symmetry operation' 5_556 x-y,-y,-z+1 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 109.8700000000 -# -loop_ -_pdbx_audit_revision_history.ordinal -_pdbx_audit_revision_history.data_content_type -_pdbx_audit_revision_history.major_revision -_pdbx_audit_revision_history.minor_revision -_pdbx_audit_revision_history.revision_date -1 'Structure model' 1 0 2011-03-09 -2 'Structure model' 1 1 2011-07-13 -3 'Structure model' 2 0 2020-07-29 -# -loop_ -_pdbx_audit_revision_details.ordinal -_pdbx_audit_revision_details.revision_ordinal -_pdbx_audit_revision_details.data_content_type -_pdbx_audit_revision_details.provider -_pdbx_audit_revision_details.type -_pdbx_audit_revision_details.description -_pdbx_audit_revision_details.details -1 1 'Structure model' repository 'Initial release' ? ? -2 3 'Structure model' repository Remediation 'Carbohydrate remediation' ? -# -loop_ -_pdbx_audit_revision_group.ordinal -_pdbx_audit_revision_group.revision_ordinal -_pdbx_audit_revision_group.data_content_type -_pdbx_audit_revision_group.group -1 2 'Structure model' 'Version format compliance' -2 3 'Structure model' 'Atomic model' -3 3 'Structure model' 'Data collection' -4 3 'Structure model' 'Database references' -5 3 'Structure model' 'Derived calculations' -6 3 'Structure model' 'Non-polymer description' -7 3 'Structure model' 'Structure summary' -# -loop_ -_pdbx_audit_revision_category.ordinal -_pdbx_audit_revision_category.revision_ordinal -_pdbx_audit_revision_category.data_content_type -_pdbx_audit_revision_category.category -1 3 'Structure model' atom_site -2 3 'Structure model' chem_comp -3 3 'Structure model' entity -4 3 'Structure model' entity_name_com -5 3 'Structure model' pdbx_branch_scheme -6 3 'Structure model' pdbx_chem_comp_identifier -7 3 'Structure model' pdbx_entity_branch -8 3 'Structure model' pdbx_entity_branch_descriptor -9 3 'Structure model' pdbx_entity_branch_link -10 3 'Structure model' pdbx_entity_branch_list -11 3 'Structure model' pdbx_entity_nonpoly -12 3 'Structure model' pdbx_molecule_features -13 3 'Structure model' pdbx_nonpoly_scheme -14 3 'Structure model' pdbx_struct_assembly_gen -15 3 'Structure model' struct_asym -16 3 'Structure model' struct_conn -17 3 'Structure model' struct_ref_seq_dif -18 3 'Structure model' struct_site -19 3 'Structure model' struct_site_gen -# -loop_ -_pdbx_audit_revision_item.ordinal -_pdbx_audit_revision_item.revision_ordinal -_pdbx_audit_revision_item.data_content_type -_pdbx_audit_revision_item.item -1 3 'Structure model' '_atom_site.B_iso_or_equiv' -2 3 'Structure model' '_atom_site.Cartn_x' -3 3 'Structure model' '_atom_site.Cartn_y' -4 3 'Structure model' '_atom_site.Cartn_z' -5 3 'Structure model' '_atom_site.auth_asym_id' -6 3 'Structure model' '_atom_site.auth_atom_id' -7 3 'Structure model' '_atom_site.auth_comp_id' -8 3 'Structure model' '_atom_site.auth_seq_id' -9 3 'Structure model' '_atom_site.label_asym_id' -10 3 'Structure model' '_atom_site.label_atom_id' -11 3 'Structure model' '_atom_site.label_comp_id' -12 3 'Structure model' '_atom_site.label_entity_id' -13 3 'Structure model' '_atom_site.type_symbol' -14 3 'Structure model' '_chem_comp.formula' -15 3 'Structure model' '_chem_comp.formula_weight' -16 3 'Structure model' '_chem_comp.id' -17 3 'Structure model' '_chem_comp.mon_nstd_flag' -18 3 'Structure model' '_chem_comp.name' -19 3 'Structure model' '_chem_comp.pdbx_synonyms' -20 3 'Structure model' '_chem_comp.type' -21 3 'Structure model' '_pdbx_struct_assembly_gen.asym_id_list' -22 3 'Structure model' '_struct_ref_seq_dif.details' -# -loop_ -_software.name -_software.classification -_software.version -_software.citation_id -_software.pdbx_ordinal -MAR345dtb 'data collection' . ? 1 -PHASER phasing . ? 2 -REFMAC refinement 5.5.0072 ? 3 -XDS 'data reduction' . ? 4 -SCALA 'data scaling' . ? 5 -# -loop_ -_pdbx_validate_torsion.id -_pdbx_validate_torsion.PDB_model_num -_pdbx_validate_torsion.auth_comp_id -_pdbx_validate_torsion.auth_asym_id -_pdbx_validate_torsion.auth_seq_id -_pdbx_validate_torsion.PDB_ins_code -_pdbx_validate_torsion.label_alt_id -_pdbx_validate_torsion.phi -_pdbx_validate_torsion.psi -1 1 TYR A 29 ? ? -68.79 1.86 -2 1 ALA A 32 ? ? -177.22 142.18 -3 1 SER A 176 ? ? 50.67 -168.52 -4 1 ASN A 199 ? ? 72.23 41.33 -5 1 PHE A 212 ? ? -122.98 -60.20 -6 1 GLN A 237 ? ? -153.84 36.89 -7 1 HIS A 278 ? ? -114.53 62.18 -8 1 ILE A 307 ? ? -125.67 -65.45 -9 1 CYS A 322 ? ? -98.08 50.72 -10 1 CYS A 323 ? ? 63.03 -106.79 -# -loop_ -_pdbx_unobs_or_zero_occ_residues.id -_pdbx_unobs_or_zero_occ_residues.PDB_model_num -_pdbx_unobs_or_zero_occ_residues.polymer_flag -_pdbx_unobs_or_zero_occ_residues.occupancy_flag -_pdbx_unobs_or_zero_occ_residues.auth_asym_id -_pdbx_unobs_or_zero_occ_residues.auth_comp_id -_pdbx_unobs_or_zero_occ_residues.auth_seq_id -_pdbx_unobs_or_zero_occ_residues.PDB_ins_code -_pdbx_unobs_or_zero_occ_residues.label_asym_id -_pdbx_unobs_or_zero_occ_residues.label_comp_id -_pdbx_unobs_or_zero_occ_residues.label_seq_id -1 1 Y 1 A PRO 327 ? A PRO 327 -2 1 Y 1 A LEU 328 ? A LEU 328 -3 1 Y 1 A GLY 329 ? A GLY 329 -4 1 Y 1 A ASP 330 ? A ASP 330 -5 1 Y 1 A ASP 331 ? A ASP 331 -6 1 Y 1 A GLU 332 ? A GLU 332 -7 1 Y 1 A ALA 333 ? A ALA 333 -8 1 Y 1 A SER 334 ? A SER 334 -9 1 Y 1 A THR 335 ? A THR 335 -10 1 Y 1 A THR 336 ? A THR 336 -11 1 Y 1 A VAL 337 ? A VAL 337 -12 1 Y 1 A SER 338 ? A SER 338 -13 1 Y 1 A LYS 339 ? A LYS 339 -14 1 Y 1 A THR 340 ? A THR 340 -15 1 Y 1 A GLU 341 ? A GLU 341 -16 1 Y 1 A THR 342 ? A THR 342 -17 1 Y 1 A SER 343 ? A SER 343 -18 1 Y 1 A GLN 344 ? A GLN 344 -19 1 Y 1 A VAL 345 ? A VAL 345 -20 1 Y 1 A ALA 346 ? A ALA 346 -21 1 Y 1 A PRO 347 ? A PRO 347 -22 1 Y 1 A ALA 348 ? A ALA 348 -# -loop_ -_pdbx_branch_scheme.asym_id -_pdbx_branch_scheme.entity_id -_pdbx_branch_scheme.mon_id -_pdbx_branch_scheme.num -_pdbx_branch_scheme.pdb_asym_id -_pdbx_branch_scheme.pdb_mon_id -_pdbx_branch_scheme.pdb_seq_num -_pdbx_branch_scheme.auth_asym_id -_pdbx_branch_scheme.auth_mon_id -_pdbx_branch_scheme.auth_seq_num -_pdbx_branch_scheme.hetero -C 3 NAG 1 C NAG 1 A NAG 402 n -C 3 NAG 2 C NAG 2 A NAG 403 n -C 3 BMA 3 C BMA 3 A BMA 404 n -C 3 MAN 4 C MAN 4 A MAN 405 n -D 4 GLC 1 D GLC 1 A TRE 1001 n -D 4 GLC 2 D GLC 2 A TRE 1001 n -# -loop_ -_pdbx_chem_comp_identifier.comp_id -_pdbx_chem_comp_identifier.type -_pdbx_chem_comp_identifier.program -_pdbx_chem_comp_identifier.program_version -_pdbx_chem_comp_identifier.identifier -BMA 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML 1.0 DManpb -BMA 'COMMON NAME' GMML 1.0 b-D-mannopyranose -BMA 'IUPAC CARBOHYDRATE SYMBOL' PDB-CARE 1.0 b-D-Manp -BMA 'SNFG CARBOHYDRATE SYMBOL' GMML 1.0 Man -BOG 'IUPAC CARBOHYDRATE SYMBOL' PDB-CARE 1.0 b-octylglucoside -GLC 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML 1.0 DGlcpa -GLC 'COMMON NAME' GMML 1.0 a-D-glucopyranose -GLC 'IUPAC CARBOHYDRATE SYMBOL' PDB-CARE 1.0 a-D-Glcp -GLC 'SNFG CARBOHYDRATE SYMBOL' GMML 1.0 Glc -MAN 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML 1.0 DManpa -MAN 'COMMON NAME' GMML 1.0 a-D-mannopyranose -MAN 'IUPAC CARBOHYDRATE SYMBOL' PDB-CARE 1.0 a-D-Manp -MAN 'SNFG CARBOHYDRATE SYMBOL' GMML 1.0 Man -NAG 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML 1.0 DGlcpNAcb -NAG 'COMMON NAME' GMML 1.0 N-acetyl-b-D-glucopyranosamine -NAG 'IUPAC CARBOHYDRATE SYMBOL' PDB-CARE 1.0 b-D-GlcpNAc -NAG 'SNFG CARBOHYDRATE SYMBOL' GMML 1.0 GlcNAc -# -loop_ -_pdbx_entity_branch.entity_id -_pdbx_entity_branch.type -3 oligosaccharide -4 oligosaccharide -# -loop_ -_pdbx_entity_branch_descriptor.ordinal -_pdbx_entity_branch_descriptor.entity_id -_pdbx_entity_branch_descriptor.descriptor -_pdbx_entity_branch_descriptor.type -_pdbx_entity_branch_descriptor.program -_pdbx_entity_branch_descriptor.program_version -1 3 DManpa1-3DManpb1-4DGlcpNAcb1-4DGlcpNAcb1- -'Glycam Condensed Sequence' GMML 1.0 -2 3 'WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3/a4-b1_b4-c1_c3-d1' WURCS PDB2Glycan 1.1.0 -3 3 '[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}}}}}' LINUCS PDB-CARE ? -4 4 DGlcpa1-1DGlcpa -'Glycam Condensed Sequence' GMML 1.0 -5 4 'WURCS=2.0/1,2,1/[a2122h-1a_1-5]/1-1/a1-b1' WURCS PDB2Glycan 1.1.0 -6 4 '[][a-D-Glcp]{[(1+1)][a-D-Glcp]{}}' LINUCS PDB-CARE ? -# -loop_ -_pdbx_entity_branch_link.link_id -_pdbx_entity_branch_link.entity_id -_pdbx_entity_branch_link.entity_branch_list_num_1 -_pdbx_entity_branch_link.comp_id_1 -_pdbx_entity_branch_link.atom_id_1 -_pdbx_entity_branch_link.leaving_atom_id_1 -_pdbx_entity_branch_link.entity_branch_list_num_2 -_pdbx_entity_branch_link.comp_id_2 -_pdbx_entity_branch_link.atom_id_2 -_pdbx_entity_branch_link.leaving_atom_id_2 -_pdbx_entity_branch_link.value_order -_pdbx_entity_branch_link.details -1 3 2 NAG C1 O1 1 NAG O4 HO4 sing ? -2 3 3 BMA C1 O1 2 NAG O4 HO4 sing ? -3 3 4 MAN C1 O1 3 BMA O3 HO3 sing ? -4 4 1 GLC C1 O1 2 GLC O1 HO1 sing ? -# -loop_ -_pdbx_entity_branch_list.entity_id -_pdbx_entity_branch_list.comp_id -_pdbx_entity_branch_list.num -_pdbx_entity_branch_list.hetero -3 NAG 1 n -3 NAG 2 n -3 BMA 3 n -3 MAN 4 n -4 GLC 1 n -4 GLC 2 n -# -loop_ -_pdbx_entity_nonpoly.entity_id -_pdbx_entity_nonpoly.name -_pdbx_entity_nonpoly.comp_id -5 RETINAL RET -6 2-acetamido-2-deoxy-beta-D-glucopyranose NAG -7 'octyl beta-D-glucopyranoside' BOG -8 'PALMITIC ACID' PLM -9 'SULFATE ION' SO4 -10 'ACETATE ION' ACT -11 water HOH -# From 666cbe9af495422247e716a9532af7880225b63f Mon Sep 17 00:00:00 2001 From: Jorge Date: Mon, 22 Jan 2024 17:50:30 -0500 Subject: [PATCH 5/9] Remove debugging printing statements --- mdagent/tools/base_tools/simulation_tools/create_simulation.py | 1 - mdagent/utils/path_registry.py | 2 -- 2 files changed, 3 deletions(-) diff --git a/mdagent/tools/base_tools/simulation_tools/create_simulation.py b/mdagent/tools/base_tools/simulation_tools/create_simulation.py index c75c0813..42a32267 100644 --- a/mdagent/tools/base_tools/simulation_tools/create_simulation.py +++ b/mdagent/tools/base_tools/simulation_tools/create_simulation.py @@ -159,7 +159,6 @@ def __init__(self, path_registry: Optional[PathRegistry], llm): super().__init__() self.path_registry = path_registry self.llm = llm - print(f"fModifyScriptTool initialized, llm is {llm}") def _run(self, *args, **input): if self.llm is None: # this should not happen diff --git a/mdagent/utils/path_registry.py b/mdagent/utils/path_registry.py index 3a7d3dac..b5733fd3 100644 --- a/mdagent/utils/path_registry.py +++ b/mdagent/utils/path_registry.py @@ -163,13 +163,11 @@ def write_file_name(self, type: FileType, **kwargs): if type == FileType.PROTEIN: file_name += f"{protein_name}_{description}_{time_stamp}.{file_format}" if type == FileType.SIMULATION: - print("im here inside") if conditions: file_name += ( f"{type_of_sim}_{protein_file_id}_{conditions}_{time_stamp}.py" ) elif modified: - print("I got here!!!!") file_name += f"{Sim_id}_MOD_{time_stamp}.py" else: file_name += f"{type_of_sim}_{protein_file_id}_{time_stamp}.py" From 6fefec3cfccadadb8db87d1e6895f7040a547154 Mon Sep 17 00:00:00 2001 From: Jorge Date: Tue, 23 Jan 2024 08:52:37 -0500 Subject: [PATCH 6/9] Add deleted file in tests --- mdagent/mainagent/prompt.py | 55 +- tests/3pqr.cif | 4765 +++++++++++++++++++++++++++++++++++ 2 files changed, 4792 insertions(+), 28 deletions(-) create mode 100644 tests/3pqr.cif diff --git a/mdagent/mainagent/prompt.py b/mdagent/mainagent/prompt.py index 3c9d0b64..a793faac 100644 --- a/mdagent/mainagent/prompt.py +++ b/mdagent/mainagent/prompt.py @@ -2,34 +2,33 @@ structured_prompt = PromptTemplate( input_variables=["input"], - template=( - "You are an expert molecular dynamics scientist and " - "your task is to respond to the question or " - "solve the problem to the best of your ability using " - "the provided tools. " - "\n" - "You can only respond with a single complete " - "'Thought, Action, Action Input' format " - "OR a single 'Final Answer' format. " - "\n", - "Complete format: " "\n", - "Thought: (reflect on your progress and decide what " "to do next) ", - "Action: (the action name, should be the name of a tool)\n" - "Action Input: (the input string to the action)\n" - "\n" - "OR\n " - "\n" - "Final Answer: (the final answer to the original input " - "question)\n " - "\n" - "Use the tools provided, using the most specific tool " - "available for each action. " - "Your final answer should contain all information " - "necessary to answer the question and subquestions. " - "Your thought process should be clean and clear, " - "and you must explicitly state the actions you are taking. " - "Question: {input} ", - ), + template=""" + You are an expert molecular dynamics scientist and + your task is to respond to the question or + solve the problem to the best of your ability using + the provided tools. + + You can only respond with a single complete + 'Thought, Action, Action Input' format + OR a single 'Final Answer' format. + + Complete format: + Thought: (reflect on your progress and decide what " "to do next) + Action: (the action name, should be the name of a tool) + Action Input: (the input string to the action) + + OR + + Final Answer: (the final answer to the original input + question) + + Use the tools provided, using the most specific tool + available for each action. + Your final answer should contain all information + necessary to answer the question and subquestions. + Your thought process should be clean and clear, + and you must explicitly state the actions you are taking. + Question: {input} """, ) diff --git a/tests/3pqr.cif b/tests/3pqr.cif new file mode 100644 index 00000000..3726a027 --- /dev/null +++ b/tests/3pqr.cif @@ -0,0 +1,4765 @@ +data_3PQR +# +_entry.id 3PQR +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.329 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +PDB 3PQR +RCSB RCSB062705 +WWPDB D_1000062705 +# +_pdbx_database_related.db_name PDB +_pdbx_database_related.db_id 3PXO +_pdbx_database_related.details . +_pdbx_database_related.content_type unspecified +# +_pdbx_database_status.status_code REL +_pdbx_database_status.entry_id 3PQR +_pdbx_database_status.recvd_initial_deposition_date 2010-11-26 +_pdbx_database_status.deposit_site RCSB +_pdbx_database_status.process_site RCSB +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.SG_entry ? +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.pdb_format_compatible Y +_pdbx_database_status.status_code_nmr_data ? +_pdbx_database_status.methods_development_category ? +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Choe, H.-W.' 1 +'Kim, Y.J.' 2 +'Park, J.H.' 3 +'Morizumi, T.' 4 +'Pai, E.F.' 5 +'Krauss, N.' 6 +'Hofmann, K.P.' 7 +'Scheerer, P.' 8 +'Ernst, O.P.' 9 +# +_citation.id primary +_citation.title 'Crystal structure of metarhodopsin II.' +_citation.journal_abbrev Nature +_citation.journal_volume 471 +_citation.page_first 651 +_citation.page_last 655 +_citation.year 2011 +_citation.journal_id_ASTM NATUAS +_citation.country UK +_citation.journal_id_ISSN 0028-0836 +_citation.journal_id_CSD 0006 +_citation.book_publisher ? +_citation.pdbx_database_id_PubMed 21389988 +_citation.pdbx_database_id_DOI 10.1038/nature09789 +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Choe, H.W.' 1 ? +primary 'Kim, Y.J.' 2 ? +primary 'Park, J.H.' 3 ? +primary 'Morizumi, T.' 4 ? +primary 'Pai, E.F.' 5 ? +primary 'Krauss, N.' 6 ? +primary 'Hofmann, K.P.' 7 ? +primary 'Scheerer, P.' 8 ? +primary 'Ernst, O.P.' 9 ? +# +_cell.entry_id 3PQR +_cell.length_a 241.550 +_cell.length_b 241.550 +_cell.length_c 109.870 +_cell.angle_alpha 90.00 +_cell.angle_beta 90.00 +_cell.angle_gamma 120.00 +_cell.Z_PDB 18 +_cell.pdbx_unique_axis ? +_cell.length_a_esd ? +_cell.length_b_esd ? +_cell.length_c_esd ? +_cell.angle_alpha_esd ? +_cell.angle_beta_esd ? +_cell.angle_gamma_esd ? +# +_symmetry.entry_id 3PQR +_symmetry.space_group_name_H-M 'H 3 2' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 155 +_symmetry.space_group_name_Hall ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer nat Rhodopsin 39031.457 1 ? ? ? ? +2 polymer syn 'Guanine nucleotide-binding protein G(t) subunit alpha-1' 1261.487 1 ? K341L,C347V +'C-terminal peptide (UNP residues 340-350)' ? +3 branched man +;alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose +; +748.682 1 ? ? ? ? +4 branched man 'alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose' 342.297 1 ? ? ? ? +5 non-polymer syn RETINAL 284.436 1 ? ? ? ? +6 non-polymer man 2-acetamido-2-deoxy-beta-D-glucopyranose 221.208 1 ? ? ? +? +7 non-polymer man 'octyl beta-D-glucopyranoside' 292.369 2 ? ? ? ? +8 non-polymer syn 'PALMITIC ACID' 256.424 1 ? ? ? ? +9 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? +10 non-polymer syn 'ACETATE ION' 59.044 2 ? ? ? ? +11 water nat water 18.015 23 ? ? ? ? +# +loop_ +_entity_name_com.entity_id +_entity_name_com.name +1 'Active Metarhodopsin II with all-trans retinal' +2 'Galpha subunit of transducin, Transducin alpha-1 chain' +4 trehalose +# +loop_ +_entity_poly.entity_id +_entity_poly.type +_entity_poly.nstd_linkage +_entity_poly.nstd_monomer +_entity_poly.pdbx_seq_one_letter_code +_entity_poly.pdbx_seq_one_letter_code_can +_entity_poly.pdbx_strand_id +_entity_poly.pdbx_target_identifier +1 'polypeptide(L)' no no +;MNGTEGPNFYVPFSNKTGVVRSPFEAPQYYLAEPWQFSMLAAYMFLLIMLGFPINFLTLYVTVQHKKLRTPLNYILLNLA +VADLFMVFGGFTTTLYTSLHGYFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVCKPMSNFRFGENHAIMGVAFT +WVMALACAAPPLVGWSRYIPEGMQCSCGIDYYTPHEETNNESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEAAAQQQES +ATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQGSDFGPIFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTT +LCCGKNPLGDDEASTTVSKTETSQVAPA +; +;MNGTEGPNFYVPFSNKTGVVRSPFEAPQYYLAEPWQFSMLAAYMFLLIMLGFPINFLTLYVTVQHKKLRTPLNYILLNLA +VADLFMVFGGFTTTLYTSLHGYFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVCKPMSNFRFGENHAIMGVAFT +WVMALACAAPPLVGWSRYIPEGMQCSCGIDYYTPHEETNNESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEAAAQQQES +ATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQGSDFGPIFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTT +LCCGKNPLGDDEASTTVSKTETSQVAPA +; +A ? +2 'polypeptide(L)' no no ILENLKDVGLF ILENLKDVGLF B ? +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 MET n +1 2 ASN n +1 3 GLY n +1 4 THR n +1 5 GLU n +1 6 GLY n +1 7 PRO n +1 8 ASN n +1 9 PHE n +1 10 TYR n +1 11 VAL n +1 12 PRO n +1 13 PHE n +1 14 SER n +1 15 ASN n +1 16 LYS n +1 17 THR n +1 18 GLY n +1 19 VAL n +1 20 VAL n +1 21 ARG n +1 22 SER n +1 23 PRO n +1 24 PHE n +1 25 GLU n +1 26 ALA n +1 27 PRO n +1 28 GLN n +1 29 TYR n +1 30 TYR n +1 31 LEU n +1 32 ALA n +1 33 GLU n +1 34 PRO n +1 35 TRP n +1 36 GLN n +1 37 PHE n +1 38 SER n +1 39 MET n +1 40 LEU n +1 41 ALA n +1 42 ALA n +1 43 TYR n +1 44 MET n +1 45 PHE n +1 46 LEU n +1 47 LEU n +1 48 ILE n +1 49 MET n +1 50 LEU n +1 51 GLY n +1 52 PHE n +1 53 PRO n +1 54 ILE n +1 55 ASN n +1 56 PHE n +1 57 LEU n +1 58 THR n +1 59 LEU n +1 60 TYR n +1 61 VAL n +1 62 THR n +1 63 VAL n +1 64 GLN n +1 65 HIS n +1 66 LYS n +1 67 LYS n +1 68 LEU n +1 69 ARG n +1 70 THR n +1 71 PRO n +1 72 LEU n +1 73 ASN n +1 74 TYR n +1 75 ILE n +1 76 LEU n +1 77 LEU n +1 78 ASN n +1 79 LEU n +1 80 ALA n +1 81 VAL n +1 82 ALA n +1 83 ASP n +1 84 LEU n +1 85 PHE n +1 86 MET n +1 87 VAL n +1 88 PHE n +1 89 GLY n +1 90 GLY n +1 91 PHE n +1 92 THR n +1 93 THR n +1 94 THR n +1 95 LEU n +1 96 TYR n +1 97 THR n +1 98 SER n +1 99 LEU n +1 100 HIS n +1 101 GLY n +1 102 TYR n +1 103 PHE n +1 104 VAL n +1 105 PHE n +1 106 GLY n +1 107 PRO n +1 108 THR n +1 109 GLY n +1 110 CYS n +1 111 ASN n +1 112 LEU n +1 113 GLU n +1 114 GLY n +1 115 PHE n +1 116 PHE n +1 117 ALA n +1 118 THR n +1 119 LEU n +1 120 GLY n +1 121 GLY n +1 122 GLU n +1 123 ILE n +1 124 ALA n +1 125 LEU n +1 126 TRP n +1 127 SER n +1 128 LEU n +1 129 VAL n +1 130 VAL n +1 131 LEU n +1 132 ALA n +1 133 ILE n +1 134 GLU n +1 135 ARG n +1 136 TYR n +1 137 VAL n +1 138 VAL n +1 139 VAL n +1 140 CYS n +1 141 LYS n +1 142 PRO n +1 143 MET n +1 144 SER n +1 145 ASN n +1 146 PHE n +1 147 ARG n +1 148 PHE n +1 149 GLY n +1 150 GLU n +1 151 ASN n +1 152 HIS n +1 153 ALA n +1 154 ILE n +1 155 MET n +1 156 GLY n +1 157 VAL n +1 158 ALA n +1 159 PHE n +1 160 THR n +1 161 TRP n +1 162 VAL n +1 163 MET n +1 164 ALA n +1 165 LEU n +1 166 ALA n +1 167 CYS n +1 168 ALA n +1 169 ALA n +1 170 PRO n +1 171 PRO n +1 172 LEU n +1 173 VAL n +1 174 GLY n +1 175 TRP n +1 176 SER n +1 177 ARG n +1 178 TYR n +1 179 ILE n +1 180 PRO n +1 181 GLU n +1 182 GLY n +1 183 MET n +1 184 GLN n +1 185 CYS n +1 186 SER n +1 187 CYS n +1 188 GLY n +1 189 ILE n +1 190 ASP n +1 191 TYR n +1 192 TYR n +1 193 THR n +1 194 PRO n +1 195 HIS n +1 196 GLU n +1 197 GLU n +1 198 THR n +1 199 ASN n +1 200 ASN n +1 201 GLU n +1 202 SER n +1 203 PHE n +1 204 VAL n +1 205 ILE n +1 206 TYR n +1 207 MET n +1 208 PHE n +1 209 VAL n +1 210 VAL n +1 211 HIS n +1 212 PHE n +1 213 ILE n +1 214 ILE n +1 215 PRO n +1 216 LEU n +1 217 ILE n +1 218 VAL n +1 219 ILE n +1 220 PHE n +1 221 PHE n +1 222 CYS n +1 223 TYR n +1 224 GLY n +1 225 GLN n +1 226 LEU n +1 227 VAL n +1 228 PHE n +1 229 THR n +1 230 VAL n +1 231 LYS n +1 232 GLU n +1 233 ALA n +1 234 ALA n +1 235 ALA n +1 236 GLN n +1 237 GLN n +1 238 GLN n +1 239 GLU n +1 240 SER n +1 241 ALA n +1 242 THR n +1 243 THR n +1 244 GLN n +1 245 LYS n +1 246 ALA n +1 247 GLU n +1 248 LYS n +1 249 GLU n +1 250 VAL n +1 251 THR n +1 252 ARG n +1 253 MET n +1 254 VAL n +1 255 ILE n +1 256 ILE n +1 257 MET n +1 258 VAL n +1 259 ILE n +1 260 ALA n +1 261 PHE n +1 262 LEU n +1 263 ILE n +1 264 CYS n +1 265 TRP n +1 266 LEU n +1 267 PRO n +1 268 TYR n +1 269 ALA n +1 270 GLY n +1 271 VAL n +1 272 ALA n +1 273 PHE n +1 274 TYR n +1 275 ILE n +1 276 PHE n +1 277 THR n +1 278 HIS n +1 279 GLN n +1 280 GLY n +1 281 SER n +1 282 ASP n +1 283 PHE n +1 284 GLY n +1 285 PRO n +1 286 ILE n +1 287 PHE n +1 288 MET n +1 289 THR n +1 290 ILE n +1 291 PRO n +1 292 ALA n +1 293 PHE n +1 294 PHE n +1 295 ALA n +1 296 LYS n +1 297 THR n +1 298 SER n +1 299 ALA n +1 300 VAL n +1 301 TYR n +1 302 ASN n +1 303 PRO n +1 304 VAL n +1 305 ILE n +1 306 TYR n +1 307 ILE n +1 308 MET n +1 309 MET n +1 310 ASN n +1 311 LYS n +1 312 GLN n +1 313 PHE n +1 314 ARG n +1 315 ASN n +1 316 CYS n +1 317 MET n +1 318 VAL n +1 319 THR n +1 320 THR n +1 321 LEU n +1 322 CYS n +1 323 CYS n +1 324 GLY n +1 325 LYS n +1 326 ASN n +1 327 PRO n +1 328 LEU n +1 329 GLY n +1 330 ASP n +1 331 ASP n +1 332 GLU n +1 333 ALA n +1 334 SER n +1 335 THR n +1 336 THR n +1 337 VAL n +1 338 SER n +1 339 LYS n +1 340 THR n +1 341 GLU n +1 342 THR n +1 343 SER n +1 344 GLN n +1 345 VAL n +1 346 ALA n +1 347 PRO n +1 348 ALA n +2 1 ILE n +2 2 LEU n +2 3 GLU n +2 4 ASN n +2 5 LEU n +2 6 LYS n +2 7 ASP n +2 8 VAL n +2 9 GLY n +2 10 LEU n +2 11 PHE n +# +_entity_src_nat.entity_id 1 +_entity_src_nat.pdbx_src_id 1 +_entity_src_nat.pdbx_alt_source_flag sample +_entity_src_nat.pdbx_beg_seq_num ? +_entity_src_nat.pdbx_end_seq_num ? +_entity_src_nat.common_name bovine +_entity_src_nat.pdbx_organism_scientific 'Bos taurus' +_entity_src_nat.pdbx_ncbi_taxonomy_id 9913 +_entity_src_nat.genus ? +_entity_src_nat.species ? +_entity_src_nat.strain ? +_entity_src_nat.tissue ? +_entity_src_nat.tissue_fraction ? +_entity_src_nat.pdbx_secretion ? +_entity_src_nat.pdbx_fragment ? +_entity_src_nat.pdbx_variant ? +_entity_src_nat.pdbx_cell_line ? +_entity_src_nat.pdbx_atcc ? +_entity_src_nat.pdbx_cellular_location ? +_entity_src_nat.pdbx_organ ? +_entity_src_nat.pdbx_organelle ? +_entity_src_nat.pdbx_cell ? +_entity_src_nat.pdbx_plasmid_name ? +_entity_src_nat.pdbx_plasmid_details ? +_entity_src_nat.details ? +# +_pdbx_entity_src_syn.entity_id 2 +_pdbx_entity_src_syn.pdbx_src_id 1 +_pdbx_entity_src_syn.pdbx_alt_source_flag sample +_pdbx_entity_src_syn.pdbx_beg_seq_num ? +_pdbx_entity_src_syn.pdbx_end_seq_num ? +_pdbx_entity_src_syn.organism_scientific 'Bos taurus' +_pdbx_entity_src_syn.organism_common_name bovine +_pdbx_entity_src_syn.ncbi_taxonomy_id 9913 +_pdbx_entity_src_syn.details 'chemically synthesized' +# +loop_ +_struct_ref.id +_struct_ref.db_name +_struct_ref.db_code +_struct_ref.pdbx_db_accession +_struct_ref.entity_id +_struct_ref.pdbx_seq_one_letter_code +_struct_ref.pdbx_align_begin +_struct_ref.pdbx_db_isoform +1 UNP OPSD_BOVIN P02699 1 +;MNGTEGPNFYVPFSNKTGVVRSPFEAPQYYLAEPWQFSMLAAYMFLLIMLGFPINFLTLYVTVQHKKLRTPLNYILLNLA +VADLFMVFGGFTTTLYTSLHGYFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVCKPMSNFRFGENHAIMGVAFT +WVMALACAAPPLVGWSRYIPEGMQCSCGIDYYTPHEETNNESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEAAAQQQES +ATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQGSDFGPIFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTT +LCCGKNPLGDDEASTTVSKTETSQVAPA +; +1 ? +2 UNP GNAT1_BOVIN P04695 2 IKENLKDCGLF 340 ? +# +loop_ +_struct_ref_seq.align_id +_struct_ref_seq.ref_id +_struct_ref_seq.pdbx_PDB_id_code +_struct_ref_seq.pdbx_strand_id +_struct_ref_seq.seq_align_beg +_struct_ref_seq.pdbx_seq_align_beg_ins_code +_struct_ref_seq.seq_align_end +_struct_ref_seq.pdbx_seq_align_end_ins_code +_struct_ref_seq.pdbx_db_accession +_struct_ref_seq.db_align_beg +_struct_ref_seq.pdbx_db_align_beg_ins_code +_struct_ref_seq.db_align_end +_struct_ref_seq.pdbx_db_align_end_ins_code +_struct_ref_seq.pdbx_auth_seq_align_beg +_struct_ref_seq.pdbx_auth_seq_align_end +1 1 3PQR A 1 ? 348 ? P02699 1 ? 348 ? 1 348 +2 2 3PQR B 1 ? 11 ? P04695 340 ? 350 ? 340 350 +# +loop_ +_struct_ref_seq_dif.align_id +_struct_ref_seq_dif.pdbx_pdb_id_code +_struct_ref_seq_dif.mon_id +_struct_ref_seq_dif.pdbx_pdb_strand_id +_struct_ref_seq_dif.seq_num +_struct_ref_seq_dif.pdbx_pdb_ins_code +_struct_ref_seq_dif.pdbx_seq_db_name +_struct_ref_seq_dif.pdbx_seq_db_accession_code +_struct_ref_seq_dif.db_mon_id +_struct_ref_seq_dif.pdbx_seq_db_seq_num +_struct_ref_seq_dif.details +_struct_ref_seq_dif.pdbx_auth_seq_num +_struct_ref_seq_dif.pdbx_ordinal +2 3PQR LEU B 2 ? UNP P04695 LYS 341 'engineered mutation' 341 1 +2 3PQR VAL B 8 ? UNP P04695 CYS 347 'engineered mutation' 347 2 +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +ACT non-polymer . 'ACETATE ION' ? 'C2 H3 O2 -1' 59.044 +ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 +ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 +ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 +BMA 'D-saccharide, beta linking' . beta-D-mannopyranose ? 'C6 H12 O6' 180.156 +BOG D-saccharide n 'octyl beta-D-glucopyranoside' ? 'C14 H28 O6' 292.369 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 +GLC 'D-saccharide, alpha linking' . alpha-D-glucopyranose ? 'C6 H12 O6' 180.156 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 +GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 +GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 +HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 +HOH non-polymer . WATER ? 'H2 O' 18.015 +ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 +LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 +MAN 'D-saccharide, alpha linking' . alpha-D-mannopyranose ? 'C6 H12 O6' 180.156 +MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 +NAG 'D-saccharide, beta linking' . 2-acetamido-2-deoxy-beta-D-glucopyranose ? 'C8 H15 N O6' 221.208 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 +PLM non-polymer . 'PALMITIC ACID' ? 'C16 H32 O2' 256.424 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 +RET non-polymer . RETINAL ? 'C20 H28 O' 284.436 +SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 +SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 +THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 +TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 +VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 +# +_exptl.entry_id 3PQR +_exptl.method 'X-RAY DIFFRACTION' +_exptl.crystals_number 1 +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_Matthews 7.65 +_exptl_crystal.density_percent_sol 83.93 +_exptl_crystal.description ? +_exptl_crystal.F_000 ? +_exptl_crystal.preparation ? +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' +_exptl_crystal_grow.temp 277 +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.pH 5.6 +_exptl_crystal_grow.pdbx_details 'ammonium sulfate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K' +_exptl_crystal_grow.pdbx_pH_range ? +# +_diffrn.id 1 +_diffrn.ambient_temp 100 +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector CCD +_diffrn_detector.type 'MARMOSAIC 225 mm CCD' +_diffrn_detector.pdbx_collection_date 2010-05-05 +_diffrn_detector.details MIRRORS +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.monochromator 'SI-111 CRYSTAL - DOUBLE CRYSTAL MONOCHROMATOR' +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.91841 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source SYNCHROTRON +_diffrn_source.type 'BESSY BEAMLINE 14.2' +_diffrn_source.pdbx_synchrotron_site BESSY +_diffrn_source.pdbx_synchrotron_beamline 14.2 +_diffrn_source.pdbx_wavelength ? +_diffrn_source.pdbx_wavelength_list 0.91841 +# +_reflns.entry_id 3PQR +_reflns.observed_criterion_sigma_I 0 +_reflns.observed_criterion_sigma_F 0 +_reflns.d_resolution_low 34.865 +_reflns.d_resolution_high 2.849 +_reflns.number_obs 28448 +_reflns.number_all 28448 +_reflns.percent_possible_obs 99.2 +_reflns.pdbx_Rmerge_I_obs 0.059 +_reflns.pdbx_Rsym_value 0.059 +_reflns.pdbx_netI_over_sigmaI 15.9 +_reflns.B_iso_Wilson_estimate 68.315 +_reflns.pdbx_redundancy 3.8 +_reflns.R_free_details ? +_reflns.limit_h_max ? +_reflns.limit_h_min ? +_reflns.limit_k_max ? +_reflns.limit_k_min ? +_reflns.limit_l_max ? +_reflns.limit_l_min ? +_reflns.observed_criterion_F_max ? +_reflns.observed_criterion_F_min ? +_reflns.pdbx_chi_squared ? +_reflns.pdbx_scaling_rejects ? +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +# +_reflns_shell.d_res_high 2.85 +_reflns_shell.d_res_low 3.00 +_reflns_shell.percent_possible_all 98.6 +_reflns_shell.Rmerge_I_obs 0.409 +_reflns_shell.pdbx_Rsym_value 0.409 +_reflns_shell.meanI_over_sigI_obs 2.9 +_reflns_shell.pdbx_redundancy 3.8 +_reflns_shell.percent_possible_obs ? +_reflns_shell.number_unique_all 4086 +_reflns_shell.number_measured_all ? +_reflns_shell.number_measured_obs ? +_reflns_shell.number_unique_obs ? +_reflns_shell.pdbx_chi_squared ? +_reflns_shell.pdbx_diffrn_id ? +_reflns_shell.pdbx_ordinal 1 +# +_refine.entry_id 3PQR +_refine.ls_number_reflns_obs 27000 +_refine.ls_number_reflns_all 27000 +_refine.pdbx_ls_sigma_I 0 +_refine.pdbx_ls_sigma_F 0 +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.ls_d_res_low 34.86 +_refine.ls_d_res_high 2.85 +_refine.ls_percent_reflns_obs 100 +_refine.ls_R_factor_obs ? +_refine.ls_R_factor_all 0.21894 +_refine.ls_R_factor_R_work 0.21731 +_refine.ls_R_factor_R_free 0.24958 +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.ls_percent_reflns_R_free ? +_refine.ls_number_reflns_R_free 1422 +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.occupancy_min ? +_refine.occupancy_max ? +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.B_iso_mean ? +_refine.aniso_B[1][1] -5.27 +_refine.aniso_B[2][2] -5.27 +_refine.aniso_B[3][3] 7.91 +_refine.aniso_B[1][2] -2.64 +_refine.aniso_B[1][3] 0.00000 +_refine.aniso_B[2][3] 0.00000 +_refine.solvent_model_details ? +_refine.solvent_model_param_ksol ? +_refine.solvent_model_param_bsol ? +_refine.pdbx_solvent_vdw_probe_radii ? +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii ? +_refine.pdbx_ls_cross_valid_method THROUGHOUT +_refine.details ? +_refine.pdbx_starting_model 'PDB ENTRY 3DQB' +_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' +_refine.pdbx_isotropic_thermal_model Anisotropic +_refine.pdbx_stereochemistry_target_values 'Engh & Huber' +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_R_Free_selection_details RANDOM +_refine.pdbx_overall_ESU_R_Free ? +_refine.overall_SU_ML ? +_refine.overall_SU_B ? +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.ls_redundancy_reflns_obs ? +_refine.B_iso_min ? +_refine.B_iso_max ? +_refine.overall_SU_R_free ? +_refine.ls_wR_factor_R_free ? +_refine.ls_wR_factor_R_work ? +_refine.overall_FOM_free_R_set ? +_refine.overall_FOM_work_R_set ? +_refine.pdbx_overall_phase_error ? +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 2681 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 177 +_refine_hist.number_atoms_solvent 23 +_refine_hist.number_atoms_total 2881 +_refine_hist.d_res_high 2.85 +_refine_hist.d_res_low 34.86 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.weight +_refine_ls_restr.number +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +r_bond_refined_d 0.009 ? ? ? 'X-RAY DIFFRACTION' ? +r_angle_refined_deg 1.256 ? ? ? 'X-RAY DIFFRACTION' ? +# +_refine_ls_shell.pdbx_total_number_of_bins_used ? +_refine_ls_shell.d_res_high 2.85 +_refine_ls_shell.d_res_low 2.922 +_refine_ls_shell.number_reflns_R_work ? +_refine_ls_shell.R_factor_R_work 0.307 +_refine_ls_shell.percent_reflns_obs 100 +_refine_ls_shell.R_factor_R_free 0.392 +_refine_ls_shell.R_factor_R_free_error 0 +_refine_ls_shell.percent_reflns_R_free ? +_refine_ls_shell.number_reflns_R_free 104 +_refine_ls_shell.number_reflns_all ? +_refine_ls_shell.R_factor_all ? +_refine_ls_shell.number_reflns_obs 1964 +_refine_ls_shell.redundancy_reflns_obs ? +_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' +# +_struct.entry_id 3PQR +_struct.title +'Crystal structure of Metarhodopsin II in complex with a C-terminal peptide derived from the Galpha subunit of transducin' +_struct.pdbx_descriptor 'Rhodopsin, GaCT2 - C-terminal derived peptide from the Galpha subunit of transducin' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 3PQR +_struct_keywords.pdbx_keywords 'SIGNALING PROTEIN' +_struct_keywords.text +;protein, retinal protein, photoreceptor, active state, chromophore, G-protein coupled receptor, glycoprotein, lipoprotein, palmitate, phosphoprotein, photoreceptor protein, sensory transduction, transducer, transmembrane, vision, signaling protein, G-protein, transducin, Galpha subunit, membrane, receptor, GTP-binding, myristate, nucleotide-binding, G-protein-coupled receptor, rhodopsin, opsin +; +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +C N N 3 ? +D N N 4 ? +E N N 5 ? +F N N 6 ? +G N N 7 ? +H N N 7 ? +I N N 8 ? +J N N 9 ? +K N N 10 ? +L N N 10 ? +M N N 11 ? +N N N 11 ? +# +_struct_biol.id 1 +_struct_biol.details ? +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.pdbx_PDB_helix_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +HELX_P HELX_P1 1 SER A 14 ? GLY A 18 ? SER A 14 GLY A 18 5 ? 5 +HELX_P HELX_P2 2 GLU A 33 ? HIS A 65 ? GLU A 33 HIS A 65 1 ? 33 +HELX_P HELX_P3 3 LYS A 66 ? ARG A 69 ? LYS A 66 ARG A 69 5 ? 4 +HELX_P HELX_P4 4 THR A 70 ? LEU A 72 ? THR A 70 LEU A 72 5 ? 3 +HELX_P HELX_P5 5 ASN A 73 ? GLY A 90 ? ASN A 73 GLY A 90 1 ? 18 +HELX_P HELX_P6 6 GLY A 90 ? GLY A 101 ? GLY A 90 GLY A 101 1 ? 12 +HELX_P HELX_P7 7 PHE A 105 ? LYS A 141 ? PHE A 105 LYS A 141 1 ? 37 +HELX_P HELX_P8 8 GLY A 149 ? ALA A 169 ? GLY A 149 ALA A 169 1 ? 21 +HELX_P HELX_P9 9 PRO A 170 ? VAL A 173 ? PRO A 170 VAL A 173 5 ? 4 +HELX_P HELX_P10 10 HIS A 195 ? THR A 198 ? HIS A 195 THR A 198 5 ? 4 +HELX_P HELX_P11 11 ASN A 199 ? PHE A 212 ? ASN A 199 PHE A 212 1 ? 14 +HELX_P HELX_P12 12 PHE A 212 ? GLN A 236 ? PHE A 212 GLN A 236 1 ? 25 +HELX_P HELX_P13 13 SER A 240 ? HIS A 278 ? SER A 240 HIS A 278 1 ? 39 +HELX_P HELX_P14 14 ILE A 286 ? MET A 288 ? ILE A 286 MET A 288 5 ? 3 +HELX_P HELX_P15 15 THR A 289 ? ILE A 307 ? THR A 289 ILE A 307 1 ? 19 +HELX_P HELX_P16 16 ASN A 310 ? CYS A 322 ? ASN A 310 CYS A 322 1 ? 13 +HELX_P HELX_P17 17 ILE B 1 ? VAL B 8 ? ILE B 340 VAL B 347 1 ? 8 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria ? +_struct_conf_type.reference ? +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_leaving_atom_flag +_struct_conn.pdbx_PDB_id +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_symmetry +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id +_struct_conn.ptnr2_auth_asym_id +_struct_conn.ptnr2_auth_comp_id +_struct_conn.ptnr2_auth_seq_id +_struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr3_label_atom_id +_struct_conn.pdbx_ptnr3_label_seq_id +_struct_conn.pdbx_ptnr3_label_comp_id +_struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.details +_struct_conn.pdbx_dist_value +_struct_conn.pdbx_value_order +_struct_conn.pdbx_role +disulf1 disulf ? ? A CYS 110 SG ? ? ? 1_555 A CYS 187 SG ? ? A CYS 110 A CYS 187 1_555 ? ? ? ? ? ? ? 2.047 ? ? +covale1 covale one ? A ASN 2 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 2 A NAG 501 1_555 ? ? ? ? ? ? ? 1.334 ? +N-Glycosylation +covale2 covale one ? A ASN 15 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 15 C NAG 1 1_555 ? ? ? ? ? ? ? 1.334 ? +N-Glycosylation +covale3 covale one ? A LYS 296 NZ ? ? ? 1_555 E RET . C15 ? ? A LYS 296 A RET 401 1_555 ? ? ? ? ? ? ? 1.337 ? ? +covale4 covale one ? A CYS 323 SG ? ? ? 1_555 I PLM . C1 ? ? A CYS 323 A PLM 701 1_555 ? ? ? ? ? ? ? 1.833 ? ? +covale5 covale both ? C NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? C NAG 1 C NAG 2 1_555 ? ? ? ? ? ? ? 1.424 ? ? +covale6 covale both ? C NAG . O4 ? ? ? 1_555 C BMA . C1 ? ? C NAG 2 C BMA 3 1_555 ? ? ? ? ? ? ? 1.430 ? ? +covale7 covale both ? C BMA . O3 ? ? ? 1_555 C MAN . C1 ? ? C BMA 3 C MAN 4 1_555 ? ? ? ? ? ? ? 1.453 ? ? +covale8 covale both ? D GLC . C1 ? ? ? 1_555 D GLC . O1 ? ? D GLC 1 D GLC 2 1_555 ? ? ? ? ? ? ? 1.449 sing ? +# +loop_ +_struct_conn_type.id +_struct_conn_type.criteria +_struct_conn_type.reference +disulf ? ? +covale ? ? +# +loop_ +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +A ? 2 ? +B ? 2 ? +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +A 1 2 ? anti-parallel +B 1 2 ? anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.end_auth_seq_id +A 1 THR A 4 ? GLY A 6 ? THR A 4 GLY A 6 +A 2 PHE A 9 ? VAL A 11 ? PHE A 9 VAL A 11 +B 1 TYR A 178 ? GLU A 181 ? TYR A 178 GLU A 181 +B 2 SER A 186 ? ILE A 189 ? SER A 186 ILE A 189 +# +loop_ +_pdbx_struct_sheet_hbond.sheet_id +_pdbx_struct_sheet_hbond.range_id_1 +_pdbx_struct_sheet_hbond.range_id_2 +_pdbx_struct_sheet_hbond.range_1_label_atom_id +_pdbx_struct_sheet_hbond.range_1_label_comp_id +_pdbx_struct_sheet_hbond.range_1_label_asym_id +_pdbx_struct_sheet_hbond.range_1_label_seq_id +_pdbx_struct_sheet_hbond.range_1_PDB_ins_code +_pdbx_struct_sheet_hbond.range_1_auth_atom_id +_pdbx_struct_sheet_hbond.range_1_auth_comp_id +_pdbx_struct_sheet_hbond.range_1_auth_asym_id +_pdbx_struct_sheet_hbond.range_1_auth_seq_id +_pdbx_struct_sheet_hbond.range_2_label_atom_id +_pdbx_struct_sheet_hbond.range_2_label_comp_id +_pdbx_struct_sheet_hbond.range_2_label_asym_id +_pdbx_struct_sheet_hbond.range_2_label_seq_id +_pdbx_struct_sheet_hbond.range_2_PDB_ins_code +_pdbx_struct_sheet_hbond.range_2_auth_atom_id +_pdbx_struct_sheet_hbond.range_2_auth_comp_id +_pdbx_struct_sheet_hbond.range_2_auth_asym_id +_pdbx_struct_sheet_hbond.range_2_auth_seq_id +A 1 2 N THR A 4 ? N THR A 4 O VAL A 11 ? O VAL A 11 +B 1 2 N GLU A 181 ? N GLU A 181 O SER A 186 ? O SER A 186 +# +_database_PDB_matrix.entry_id 3PQR +_database_PDB_matrix.origx[1][1] 1.000000 +_database_PDB_matrix.origx[1][2] 0.000000 +_database_PDB_matrix.origx[1][3] 0.000000 +_database_PDB_matrix.origx[2][1] 0.000000 +_database_PDB_matrix.origx[2][2] 1.000000 +_database_PDB_matrix.origx[2][3] 0.000000 +_database_PDB_matrix.origx[3][1] 0.000000 +_database_PDB_matrix.origx[3][2] 0.000000 +_database_PDB_matrix.origx[3][3] 1.000000 +_database_PDB_matrix.origx_vector[1] 0.00000 +_database_PDB_matrix.origx_vector[2] 0.00000 +_database_PDB_matrix.origx_vector[3] 0.00000 +# +_atom_sites.entry_id 3PQR +_atom_sites.fract_transf_matrix[1][1] 0.004140 +_atom_sites.fract_transf_matrix[1][2] 0.002390 +_atom_sites.fract_transf_matrix[1][3] 0.000000 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.004780 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.009102 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +C +N +O +S +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . MET A 1 1 ? -68.369 -25.337 40.428 1.00 94.93 ? 1 MET A N 1 +ATOM 2 C CA . MET A 1 1 ? -67.927 -23.984 39.965 1.00 96.06 ? 1 MET A CA 1 +ATOM 3 C C . MET A 1 1 ? -67.471 -23.097 41.120 1.00 94.71 ? 1 MET A C 1 +ATOM 4 O O . MET A 1 1 ? -68.051 -23.124 42.213 1.00 97.40 ? 1 MET A O 1 +ATOM 5 C CB . MET A 1 1 ? -69.034 -23.292 39.172 1.00 96.16 ? 1 MET A CB 1 +ATOM 6 C CG . MET A 1 1 ? -68.864 -23.394 37.669 1.00 102.75 ? 1 MET A CG 1 +ATOM 7 S SD . MET A 1 1 ? -70.140 -22.509 36.753 1.00 115.34 ? 1 MET A SD 1 +ATOM 8 C CE . MET A 1 1 ? -70.088 -20.904 37.537 1.00 111.04 ? 1 MET A CE 1 +ATOM 9 N N . ASN A 1 2 ? -66.433 -22.304 40.876 1.00 89.83 ? 2 ASN A N 1 +ATOM 10 C CA . ASN A 1 2 ? -65.839 -21.504 41.945 1.00 86.96 ? 2 ASN A CA 1 +ATOM 11 C C . ASN A 1 2 ? -65.272 -20.166 41.479 1.00 80.27 ? 2 ASN A C 1 +ATOM 12 O O . ASN A 1 2 ? -64.650 -19.450 42.256 1.00 78.88 ? 2 ASN A O 1 +ATOM 13 C CB . ASN A 1 2 ? -64.780 -22.321 42.690 1.00 88.41 ? 2 ASN A CB 1 +ATOM 14 C CG . ASN A 1 2 ? -64.002 -23.239 41.765 1.00 96.34 ? 2 ASN A CG 1 +ATOM 15 O OD1 . ASN A 1 2 ? -63.924 -23.001 40.552 1.00 97.21 ? 2 ASN A OD1 1 +ATOM 16 N ND2 . ASN A 1 2 ? -63.428 -24.300 42.328 1.00 106.34 ? 2 ASN A ND2 1 +ATOM 17 N N . GLY A 1 3 ? -65.496 -19.841 40.209 1.00 74.37 ? 3 GLY A N 1 +ATOM 18 C CA . GLY A 1 3 ? -65.193 -18.522 39.679 1.00 63.97 ? 3 GLY A CA 1 +ATOM 19 C C . GLY A 1 3 ? -66.447 -17.823 39.174 1.00 59.30 ? 3 GLY A C 1 +ATOM 20 O O . GLY A 1 3 ? -67.557 -18.334 39.301 1.00 56.14 ? 3 GLY A O 1 +ATOM 21 N N . THR A 1 4 ? -66.258 -16.640 38.601 1.00 55.12 ? 4 THR A N 1 +ATOM 22 C CA . THR A 1 4 ? -67.320 -15.906 37.947 1.00 48.96 ? 4 THR A CA 1 +ATOM 23 C C . THR A 1 4 ? -66.747 -15.180 36.739 1.00 51.63 ? 4 THR A C 1 +ATOM 24 O O . THR A 1 4 ? -65.943 -14.275 36.892 1.00 55.46 ? 4 THR A O 1 +ATOM 25 C CB . THR A 1 4 ? -67.944 -14.893 38.899 1.00 45.81 ? 4 THR A CB 1 +ATOM 26 O OG1 . THR A 1 4 ? -68.588 -15.591 39.971 1.00 41.96 ? 4 THR A OG1 1 +ATOM 27 C CG2 . THR A 1 4 ? -68.962 -14.045 38.166 1.00 39.62 ? 4 THR A CG2 1 +ATOM 28 N N . GLU A 1 5 ? -67.153 -15.571 35.537 1.00 52.73 ? 5 GLU A N 1 +ATOM 29 C CA . GLU A 1 5 ? -66.585 -14.969 34.333 1.00 51.46 ? 5 GLU A CA 1 +ATOM 30 C C . GLU A 1 5 ? -67.333 -13.726 33.887 1.00 51.09 ? 5 GLU A C 1 +ATOM 31 O O . GLU A 1 5 ? -68.517 -13.569 34.155 1.00 53.52 ? 5 GLU A O 1 +ATOM 32 C CB . GLU A 1 5 ? -66.550 -15.975 33.193 1.00 52.23 ? 5 GLU A CB 1 +ATOM 33 C CG . GLU A 1 5 ? -66.015 -17.335 33.581 1.00 58.71 ? 5 GLU A CG 1 +ATOM 34 C CD . GLU A 1 5 ? -66.139 -18.330 32.455 1.00 70.13 ? 5 GLU A CD 1 +ATOM 35 O OE1 . GLU A 1 5 ? -67.061 -19.171 32.503 1.00 78.23 ? 5 GLU A OE1 1 +ATOM 36 O OE2 . GLU A 1 5 ? -65.334 -18.253 31.505 1.00 73.40 ? 5 GLU A OE2 1 +ATOM 37 N N . GLY A 1 6 ? -66.619 -12.848 33.197 1.00 51.86 ? 6 GLY A N 1 +ATOM 38 C CA . GLY A 1 6 ? -67.164 -11.610 32.664 1.00 51.11 ? 6 GLY A CA 1 +ATOM 39 C C . GLY A 1 6 ? -66.395 -11.336 31.392 1.00 53.07 ? 6 GLY A C 1 +ATOM 40 O O . GLY A 1 6 ? -65.390 -12.002 31.137 1.00 50.69 ? 6 GLY A O 1 +ATOM 41 N N . PRO A 1 7 ? -66.874 -10.378 30.572 1.00 56.42 ? 7 PRO A N 1 +ATOM 42 C CA . PRO A 1 7 ? -66.263 -10.037 29.288 1.00 56.80 ? 7 PRO A CA 1 +ATOM 43 C C . PRO A 1 7 ? -64.739 -9.935 29.365 1.00 61.55 ? 7 PRO A C 1 +ATOM 44 O O . PRO A 1 7 ? -64.046 -10.606 28.575 1.00 65.55 ? 7 PRO A O 1 +ATOM 45 C CB . PRO A 1 7 ? -66.890 -8.690 28.950 1.00 53.94 ? 7 PRO A CB 1 +ATOM 46 C CG . PRO A 1 7 ? -68.251 -8.795 29.504 1.00 57.09 ? 7 PRO A CG 1 +ATOM 47 C CD . PRO A 1 7 ? -68.119 -9.615 30.788 1.00 58.88 ? 7 PRO A CD 1 +ATOM 48 N N . ASN A 1 8 ? -64.196 -9.133 30.286 1.00 57.41 ? 8 ASN A N 1 +ATOM 49 C CA . ASN A 1 8 ? -62.744 -9.205 30.466 1.00 54.82 ? 8 ASN A CA 1 +ATOM 50 C C . ASN A 1 8 ? -62.226 -9.197 31.901 1.00 54.43 ? 8 ASN A C 1 +ATOM 51 O O . ASN A 1 8 ? -61.494 -8.296 32.316 1.00 57.06 ? 8 ASN A O 1 +ATOM 52 C CB . ASN A 1 8 ? -61.984 -8.237 29.549 1.00 51.77 ? 8 ASN A CB 1 +ATOM 53 C CG . ASN A 1 8 ? -62.649 -6.907 29.432 1.00 54.93 ? 8 ASN A CG 1 +ATOM 54 O OD1 . ASN A 1 8 ? -63.240 -6.408 30.386 1.00 68.62 ? 8 ASN A OD1 1 +ATOM 55 N ND2 . ASN A 1 8 ? -62.554 -6.306 28.255 1.00 57.71 ? 8 ASN A ND2 1 +ATOM 56 N N . PHE A 1 9 ? -62.591 -10.241 32.637 1.00 50.16 ? 9 PHE A N 1 +ATOM 57 C CA . PHE A 1 9 ? -62.118 -10.427 33.990 1.00 49.37 ? 9 PHE A CA 1 +ATOM 58 C C . PHE A 1 9 ? -62.508 -11.820 34.467 1.00 50.65 ? 9 PHE A C 1 +ATOM 59 O O . PHE A 1 9 ? -63.328 -12.473 33.847 1.00 53.49 ? 9 PHE A O 1 +ATOM 60 C CB . PHE A 1 9 ? -62.712 -9.368 34.908 1.00 47.70 ? 9 PHE A CB 1 +ATOM 61 C CG . PHE A 1 9 ? -64.202 -9.457 35.045 1.00 49.43 ? 9 PHE A CG 1 +ATOM 62 C CD1 . PHE A 1 9 ? -64.791 -10.531 35.699 1.00 46.89 ? 9 PHE A CD1 1 +ATOM 63 C CD2 . PHE A 1 9 ? -65.021 -8.458 34.530 1.00 53.67 ? 9 PHE A CD2 1 +ATOM 64 C CE1 . PHE A 1 9 ? -66.169 -10.612 35.821 1.00 51.85 ? 9 PHE A CE1 1 +ATOM 65 C CE2 . PHE A 1 9 ? -66.401 -8.533 34.656 1.00 44.09 ? 9 PHE A CE2 1 +ATOM 66 C CZ . PHE A 1 9 ? -66.973 -9.607 35.295 1.00 47.94 ? 9 PHE A CZ 1 +ATOM 67 N N . TYR A 1 10 ? -61.911 -12.276 35.561 1.00 50.46 ? 10 TYR A N 1 +ATOM 68 C CA . TYR A 1 10 ? -62.271 -13.556 36.136 1.00 49.40 ? 10 TYR A CA 1 +ATOM 69 C C . TYR A 1 10 ? -62.233 -13.471 37.670 1.00 49.83 ? 10 TYR A C 1 +ATOM 70 O O . TYR A 1 10 ? -61.205 -13.692 38.293 1.00 55.15 ? 10 TYR A O 1 +ATOM 71 C CB . TYR A 1 10 ? -61.348 -14.672 35.606 1.00 46.54 ? 10 TYR A CB 1 +ATOM 72 C CG . TYR A 1 10 ? -61.644 -16.022 36.237 1.00 54.28 ? 10 TYR A CG 1 +ATOM 73 C CD1 . TYR A 1 10 ? -62.641 -16.856 35.721 1.00 54.15 ? 10 TYR A CD1 1 +ATOM 74 C CD2 . TYR A 1 10 ? -60.954 -16.449 37.373 1.00 57.69 ? 10 TYR A CD2 1 +ATOM 75 C CE1 . TYR A 1 10 ? -62.928 -18.080 36.308 1.00 59.11 ? 10 TYR A CE1 1 +ATOM 76 C CE2 . TYR A 1 10 ? -61.234 -17.669 37.970 1.00 65.40 ? 10 TYR A CE2 1 +ATOM 77 C CZ . TYR A 1 10 ? -62.222 -18.481 37.432 1.00 68.69 ? 10 TYR A CZ 1 +ATOM 78 O OH . TYR A 1 10 ? -62.501 -19.689 38.028 1.00 71.20 ? 10 TYR A OH 1 +ATOM 79 N N . VAL A 1 11 ? -63.346 -13.141 38.294 1.00 47.71 ? 11 VAL A N 1 +ATOM 80 C CA . VAL A 1 11 ? -63.342 -13.071 39.738 1.00 49.47 ? 11 VAL A CA 1 +ATOM 81 C C . VAL A 1 11 ? -63.240 -14.468 40.326 1.00 54.64 ? 11 VAL A C 1 +ATOM 82 O O . VAL A 1 11 ? -64.105 -15.301 40.082 1.00 58.83 ? 11 VAL A O 1 +ATOM 83 C CB . VAL A 1 11 ? -64.591 -12.383 40.264 1.00 48.59 ? 11 VAL A CB 1 +ATOM 84 C CG1 . VAL A 1 11 ? -64.571 -12.327 41.794 1.00 42.59 ? 11 VAL A CG1 1 +ATOM 85 C CG2 . VAL A 1 11 ? -64.710 -10.989 39.638 1.00 48.57 ? 11 VAL A CG2 1 +ATOM 86 N N . PRO A 1 12 ? -62.180 -14.733 41.112 1.00 57.54 ? 12 PRO A N 1 +ATOM 87 C CA . PRO A 1 12 ? -62.015 -16.060 41.716 1.00 54.64 ? 12 PRO A CA 1 +ATOM 88 C C . PRO A 1 12 ? -62.935 -16.274 42.912 1.00 53.84 ? 12 PRO A C 1 +ATOM 89 O O . PRO A 1 12 ? -62.458 -16.605 43.990 1.00 55.55 ? 12 PRO A O 1 +ATOM 90 C CB . PRO A 1 12 ? -60.566 -16.043 42.191 1.00 54.17 ? 12 PRO A CB 1 +ATOM 91 C CG . PRO A 1 12 ? -60.298 -14.607 42.496 1.00 54.57 ? 12 PRO A CG 1 +ATOM 92 C CD . PRO A 1 12 ? -61.087 -13.812 41.488 1.00 54.93 ? 12 PRO A CD 1 +ATOM 93 N N . PHE A 1 13 ? -64.239 -16.085 42.725 1.00 52.87 ? 13 PHE A N 1 +ATOM 94 C CA . PHE A 1 13 ? -65.228 -16.346 43.774 1.00 53.66 ? 13 PHE A CA 1 +ATOM 95 C C . PHE A 1 13 ? -66.532 -16.723 43.065 1.00 57.33 ? 13 PHE A C 1 +ATOM 96 O O . PHE A 1 13 ? -66.889 -16.123 42.043 1.00 58.86 ? 13 PHE A O 1 +ATOM 97 C CB . PHE A 1 13 ? -65.401 -15.103 44.654 1.00 53.94 ? 13 PHE A CB 1 +ATOM 98 C CG . PHE A 1 13 ? -66.132 -15.338 45.958 1.00 48.30 ? 13 PHE A CG 1 +ATOM 99 C CD1 . PHE A 1 13 ? -65.480 -15.873 47.053 1.00 50.26 ? 13 PHE A CD1 1 +ATOM 100 C CD2 . PHE A 1 13 ? -67.460 -14.945 46.107 1.00 54.95 ? 13 PHE A CD2 1 +ATOM 101 C CE1 . PHE A 1 13 ? -66.154 -16.064 48.267 1.00 49.26 ? 13 PHE A CE1 1 +ATOM 102 C CE2 . PHE A 1 13 ? -68.143 -15.125 47.322 1.00 47.21 ? 13 PHE A CE2 1 +ATOM 103 C CZ . PHE A 1 13 ? -67.489 -15.686 48.396 1.00 47.57 ? 13 PHE A CZ 1 +ATOM 104 N N . SER A 1 14 ? -67.225 -17.732 43.583 1.00 57.25 ? 14 SER A N 1 +ATOM 105 C CA . SER A 1 14 ? -68.459 -18.197 42.964 1.00 57.19 ? 14 SER A CA 1 +ATOM 106 C C . SER A 1 14 ? -69.612 -17.230 43.218 1.00 56.75 ? 14 SER A C 1 +ATOM 107 O O . SER A 1 14 ? -69.782 -16.740 44.338 1.00 55.45 ? 14 SER A O 1 +ATOM 108 C CB . SER A 1 14 ? -68.820 -19.600 43.459 1.00 58.06 ? 14 SER A CB 1 +ATOM 109 O OG . SER A 1 14 ? -70.225 -19.779 43.524 1.00 57.75 ? 14 SER A OG 1 +ATOM 110 N N . ASN A 1 15 ? -70.403 -16.975 42.175 1.00 53.67 ? 15 ASN A N 1 +ATOM 111 C CA . ASN A 1 15 ? -71.548 -16.083 42.278 1.00 53.43 ? 15 ASN A CA 1 +ATOM 112 C C . ASN A 1 15 ? -72.822 -16.824 42.661 1.00 56.12 ? 15 ASN A C 1 +ATOM 113 O O . ASN A 1 15 ? -73.925 -16.293 42.532 1.00 58.63 ? 15 ASN A O 1 +ATOM 114 C CB . ASN A 1 15 ? -71.748 -15.298 40.979 1.00 50.91 ? 15 ASN A CB 1 +ATOM 115 C CG . ASN A 1 15 ? -72.476 -13.974 41.192 1.00 52.26 ? 15 ASN A CG 1 +ATOM 116 O OD1 . ASN A 1 15 ? -72.675 -13.520 42.330 1.00 52.40 ? 15 ASN A OD1 1 +ATOM 117 N ND2 . ASN A 1 15 ? -72.870 -13.341 40.091 1.00 47.30 ? 15 ASN A ND2 1 +ATOM 118 N N . LYS A 1 16 ? -72.683 -18.044 43.162 1.00 58.20 ? 16 LYS A N 1 +ATOM 119 C CA . LYS A 1 16 ? -73.867 -18.795 43.553 1.00 60.47 ? 16 LYS A CA 1 +ATOM 120 C C . LYS A 1 16 ? -74.761 -18.037 44.537 1.00 59.96 ? 16 LYS A C 1 +ATOM 121 O O . LYS A 1 16 ? -75.957 -18.288 44.587 1.00 66.59 ? 16 LYS A O 1 +ATOM 122 C CB . LYS A 1 16 ? -73.512 -20.195 44.061 1.00 60.95 ? 16 LYS A CB 1 +ATOM 123 C CG . LYS A 1 16 ? -73.296 -20.318 45.554 1.00 71.49 ? 16 LYS A CG 1 +ATOM 124 C CD . LYS A 1 16 ? -72.801 -21.726 45.900 1.00 83.69 ? 16 LYS A CD 1 +ATOM 125 C CE . LYS A 1 16 ? -71.460 -22.023 45.229 1.00 87.58 ? 16 LYS A CE 1 +ATOM 126 N NZ . LYS A 1 16 ? -71.194 -23.481 45.057 1.00 93.37 ? 16 LYS A NZ 1 +ATOM 127 N N . THR A 1 17 ? -74.204 -17.101 45.300 1.00 59.44 ? 17 THR A N 1 +ATOM 128 C CA . THR A 1 17 ? -75.031 -16.279 46.197 1.00 57.55 ? 17 THR A CA 1 +ATOM 129 C C . THR A 1 17 ? -75.359 -14.917 45.601 1.00 57.27 ? 17 THR A C 1 +ATOM 130 O O . THR A 1 17 ? -76.012 -14.094 46.248 1.00 55.51 ? 17 THR A O 1 +ATOM 131 C CB . THR A 1 17 ? -74.406 -16.086 47.593 1.00 56.59 ? 17 THR A CB 1 +ATOM 132 O OG1 . THR A 1 17 ? -73.302 -15.180 47.505 1.00 62.70 ? 17 THR A OG1 1 +ATOM 133 C CG2 . THR A 1 17 ? -73.937 -17.414 48.167 1.00 54.52 ? 17 THR A CG2 1 +ATOM 134 N N . GLY A 1 18 ? -74.894 -14.686 44.371 1.00 58.18 ? 18 GLY A N 1 +ATOM 135 C CA . GLY A 1 18 ? -75.241 -13.479 43.607 1.00 57.48 ? 18 GLY A CA 1 +ATOM 136 C C . GLY A 1 18 ? -74.550 -12.189 44.004 1.00 57.04 ? 18 GLY A C 1 +ATOM 137 O O . GLY A 1 18 ? -74.843 -11.142 43.439 1.00 58.81 ? 18 GLY A O 1 +ATOM 138 N N . VAL A 1 19 ? -73.629 -12.268 44.967 1.00 58.15 ? 19 VAL A N 1 +ATOM 139 C CA . VAL A 1 19 ? -72.878 -11.098 45.489 1.00 54.08 ? 19 VAL A CA 1 +ATOM 140 C C . VAL A 1 19 ? -71.695 -10.602 44.619 1.00 54.61 ? 19 VAL A C 1 +ATOM 141 O O . VAL A 1 19 ? -71.238 -9.472 44.792 1.00 57.35 ? 19 VAL A O 1 +ATOM 142 C CB . VAL A 1 19 ? -72.310 -11.364 46.913 1.00 51.26 ? 19 VAL A CB 1 +ATOM 143 C CG1 . VAL A 1 19 ? -73.383 -11.898 47.841 1.00 46.33 ? 19 VAL A CG1 1 +ATOM 144 C CG2 . VAL A 1 19 ? -71.127 -12.324 46.850 1.00 44.77 ? 19 VAL A CG2 1 +ATOM 145 N N . VAL A 1 20 ? -71.192 -11.435 43.707 1.00 50.77 ? 20 VAL A N 1 +ATOM 146 C CA . VAL A 1 20 ? -70.031 -11.061 42.922 1.00 49.73 ? 20 VAL A CA 1 +ATOM 147 C C . VAL A 1 20 ? -70.322 -9.865 42.022 1.00 52.73 ? 20 VAL A C 1 +ATOM 148 O O . VAL A 1 20 ? -71.307 -9.864 41.289 1.00 54.77 ? 20 VAL A O 1 +ATOM 149 C CB . VAL A 1 20 ? -69.513 -12.230 42.063 1.00 49.93 ? 20 VAL A CB 1 +ATOM 150 C CG1 . VAL A 1 20 ? -68.409 -11.751 41.117 1.00 45.00 ? 20 VAL A CG1 1 +ATOM 151 C CG2 . VAL A 1 20 ? -69.002 -13.361 42.944 1.00 47.64 ? 20 VAL A CG2 1 +ATOM 152 N N . ARG A 1 21 ? -69.460 -8.849 42.087 1.00 54.13 ? 21 ARG A N 1 +ATOM 153 C CA . ARG A 1 21 ? -69.536 -7.690 41.182 1.00 53.68 ? 21 ARG A CA 1 +ATOM 154 C C . ARG A 1 21 ? -68.299 -7.601 40.298 1.00 51.79 ? 21 ARG A C 1 +ATOM 155 O O . ARG A 1 21 ? -67.241 -8.095 40.664 1.00 51.39 ? 21 ARG A O 1 +ATOM 156 C CB . ARG A 1 21 ? -69.677 -6.388 41.972 1.00 51.00 ? 21 ARG A CB 1 +ATOM 157 C CG . ARG A 1 21 ? -70.810 -6.385 42.964 1.00 53.51 ? 21 ARG A CG 1 +ATOM 158 C CD . ARG A 1 21 ? -72.160 -6.111 42.291 1.00 61.37 ? 21 ARG A CD 1 +ATOM 159 N NE . ARG A 1 21 ? -73.277 -6.286 43.223 1.00 62.60 ? 21 ARG A NE 1 +ATOM 160 C CZ . ARG A 1 21 ? -73.822 -7.462 43.533 1.00 64.39 ? 21 ARG A CZ 1 +ATOM 161 N NH1 . ARG A 1 21 ? -73.361 -8.584 42.987 1.00 65.50 ? 21 ARG A NH1 1 +ATOM 162 N NH2 . ARG A 1 21 ? -74.831 -7.521 44.391 1.00 60.13 ? 21 ARG A NH2 1 +ATOM 163 N N . SER A 1 22 ? -68.440 -6.973 39.135 1.00 52.77 ? 22 SER A N 1 +ATOM 164 C CA . SER A 1 22 ? -67.303 -6.658 38.272 1.00 53.58 ? 22 SER A CA 1 +ATOM 165 C C . SER A 1 22 ? -66.164 -5.990 39.075 1.00 57.12 ? 22 SER A C 1 +ATOM 166 O O . SER A 1 22 ? -66.406 -5.051 39.844 1.00 58.08 ? 22 SER A O 1 +ATOM 167 C CB . SER A 1 22 ? -67.769 -5.729 37.153 1.00 51.60 ? 22 SER A CB 1 +ATOM 168 O OG . SER A 1 22 ? -66.710 -5.321 36.307 1.00 52.15 ? 22 SER A OG 1 +ATOM 169 N N . PRO A 1 23 ? -64.919 -6.476 38.912 1.00 56.47 ? 23 PRO A N 1 +ATOM 170 C CA . PRO A 1 23 ? -63.778 -5.811 39.537 1.00 56.12 ? 23 PRO A CA 1 +ATOM 171 C C . PRO A 1 23 ? -63.484 -4.414 38.966 1.00 55.56 ? 23 PRO A C 1 +ATOM 172 O O . PRO A 1 23 ? -62.684 -3.677 39.545 1.00 55.86 ? 23 PRO A O 1 +ATOM 173 C CB . PRO A 1 23 ? -62.614 -6.770 39.261 1.00 57.73 ? 23 PRO A CB 1 +ATOM 174 C CG . PRO A 1 23 ? -63.047 -7.584 38.112 1.00 57.05 ? 23 PRO A CG 1 +ATOM 175 C CD . PRO A 1 23 ? -64.527 -7.736 38.261 1.00 57.57 ? 23 PRO A CD 1 +ATOM 176 N N . PHE A 1 24 ? -64.126 -4.051 37.855 1.00 52.97 ? 24 PHE A N 1 +ATOM 177 C CA . PHE A 1 24 ? -64.075 -2.675 37.368 1.00 51.28 ? 24 PHE A CA 1 +ATOM 178 C C . PHE A 1 24 ? -65.215 -1.792 37.889 1.00 53.09 ? 24 PHE A C 1 +ATOM 179 O O . PHE A 1 24 ? -65.270 -0.614 37.557 1.00 56.04 ? 24 PHE A O 1 +ATOM 180 C CB . PHE A 1 24 ? -64.103 -2.625 35.845 1.00 48.81 ? 24 PHE A CB 1 +ATOM 181 C CG . PHE A 1 24 ? -63.051 -3.442 35.194 1.00 52.42 ? 24 PHE A CG 1 +ATOM 182 C CD1 . PHE A 1 24 ? -61.708 -3.155 35.388 1.00 59.48 ? 24 PHE A CD1 1 +ATOM 183 C CD2 . PHE A 1 24 ? -63.396 -4.498 34.367 1.00 55.66 ? 24 PHE A CD2 1 +ATOM 184 C CE1 . PHE A 1 24 ? -60.719 -3.920 34.775 1.00 53.25 ? 24 PHE A CE1 1 +ATOM 185 C CE2 . PHE A 1 24 ? -62.419 -5.264 33.749 1.00 56.62 ? 24 PHE A CE2 1 +ATOM 186 C CZ . PHE A 1 24 ? -61.075 -4.975 33.959 1.00 56.20 ? 24 PHE A CZ 1 +ATOM 187 N N . GLU A 1 25 ? -66.125 -2.333 38.693 1.00 55.34 ? 25 GLU A N 1 +ATOM 188 C CA . GLU A 1 25 ? -67.348 -1.585 39.031 1.00 55.39 ? 25 GLU A CA 1 +ATOM 189 C C . GLU A 1 25 ? -67.630 -1.376 40.512 1.00 52.23 ? 25 GLU A C 1 +ATOM 190 O O . GLU A 1 25 ? -68.163 -0.355 40.891 1.00 56.27 ? 25 GLU A O 1 +ATOM 191 C CB . GLU A 1 25 ? -68.575 -2.222 38.366 1.00 57.01 ? 25 GLU A CB 1 +ATOM 192 C CG . GLU A 1 25 ? -68.655 -2.017 36.856 1.00 66.24 ? 25 GLU A CG 1 +ATOM 193 C CD . GLU A 1 25 ? -68.488 -0.562 36.454 1.00 79.16 ? 25 GLU A CD 1 +ATOM 194 O OE1 . GLU A 1 25 ? -68.698 0.326 37.312 1.00 85.94 ? 25 GLU A OE1 1 +ATOM 195 O OE2 . GLU A 1 25 ? -68.146 -0.304 35.281 1.00 80.98 ? 25 GLU A OE2 1 +ATOM 196 N N . ALA A 1 26 ? -67.289 -2.338 41.350 1.00 50.32 ? 26 ALA A N 1 +ATOM 197 C CA . ALA A 1 26 ? -67.614 -2.235 42.761 1.00 48.74 ? 26 ALA A CA 1 +ATOM 198 C C . ALA A 1 26 ? -66.647 -3.046 43.630 1.00 50.74 ? 26 ALA A C 1 +ATOM 199 O O . ALA A 1 26 ? -65.996 -3.988 43.153 1.00 49.62 ? 26 ALA A O 1 +ATOM 200 C CB . ALA A 1 26 ? -69.033 -2.684 42.992 1.00 48.42 ? 26 ALA A CB 1 +ATOM 201 N N . PRO A 1 27 ? -66.547 -2.681 44.917 1.00 50.85 ? 27 PRO A N 1 +ATOM 202 C CA . PRO A 1 27 ? -65.598 -3.312 45.842 1.00 50.87 ? 27 PRO A CA 1 +ATOM 203 C C . PRO A 1 27 ? -65.738 -4.828 45.885 1.00 51.32 ? 27 PRO A C 1 +ATOM 204 O O . PRO A 1 27 ? -66.827 -5.345 45.653 1.00 57.06 ? 27 PRO A O 1 +ATOM 205 C CB . PRO A 1 27 ? -65.982 -2.707 47.187 1.00 50.02 ? 27 PRO A CB 1 +ATOM 206 C CG . PRO A 1 27 ? -66.546 -1.364 46.831 1.00 49.56 ? 27 PRO A CG 1 +ATOM 207 C CD . PRO A 1 27 ? -67.252 -1.541 45.530 1.00 48.03 ? 27 PRO A CD 1 +ATOM 208 N N . GLN A 1 28 ? -64.648 -5.532 46.173 1.00 48.02 ? 28 GLN A N 1 +ATOM 209 C CA . GLN A 1 28 ? -64.658 -6.987 46.169 1.00 45.83 ? 28 GLN A CA 1 +ATOM 210 C C . GLN A 1 28 ? -64.590 -7.513 47.581 1.00 47.72 ? 28 GLN A C 1 +ATOM 211 O O . GLN A 1 28 ? -63.922 -8.521 47.839 1.00 50.00 ? 28 GLN A O 1 +ATOM 212 C CB . GLN A 1 28 ? -63.481 -7.539 45.365 1.00 41.07 ? 28 GLN A CB 1 +ATOM 213 C CG . GLN A 1 28 ? -63.376 -6.979 43.954 1.00 49.29 ? 28 GLN A CG 1 +ATOM 214 C CD . GLN A 1 28 ? -64.463 -7.494 43.011 1.00 51.36 ? 28 GLN A CD 1 +ATOM 215 O OE1 . GLN A 1 28 ? -65.165 -6.711 42.370 1.00 51.15 ? 28 GLN A OE1 1 +ATOM 216 N NE2 . GLN A 1 28 ? -64.599 -8.815 42.923 1.00 43.55 ? 28 GLN A NE2 1 +ATOM 217 N N . TYR A 1 29 ? -65.281 -6.849 48.503 1.00 48.74 ? 29 TYR A N 1 +ATOM 218 C CA . TYR A 1 29 ? -65.111 -7.189 49.918 1.00 50.76 ? 29 TYR A CA 1 +ATOM 219 C C . TYR A 1 29 ? -65.673 -8.562 50.271 1.00 50.53 ? 29 TYR A C 1 +ATOM 220 O O . TYR A 1 29 ? -65.607 -8.997 51.418 1.00 54.60 ? 29 TYR A O 1 +ATOM 221 C CB . TYR A 1 29 ? -65.640 -6.080 50.842 1.00 49.77 ? 29 TYR A CB 1 +ATOM 222 C CG . TYR A 1 29 ? -64.945 -4.725 50.656 1.00 58.40 ? 29 TYR A CG 1 +ATOM 223 C CD1 . TYR A 1 29 ? -63.550 -4.613 50.703 1.00 64.65 ? 29 TYR A CD1 1 +ATOM 224 C CD2 . TYR A 1 29 ? -65.683 -3.561 50.444 1.00 54.56 ? 29 TYR A CD2 1 +ATOM 225 C CE1 . TYR A 1 29 ? -62.915 -3.379 50.534 1.00 59.18 ? 29 TYR A CE1 1 +ATOM 226 C CE2 . TYR A 1 29 ? -65.058 -2.326 50.280 1.00 52.38 ? 29 TYR A CE2 1 +ATOM 227 C CZ . TYR A 1 29 ? -63.676 -2.242 50.326 1.00 58.06 ? 29 TYR A CZ 1 +ATOM 228 O OH . TYR A 1 29 ? -63.057 -1.019 50.162 1.00 51.27 ? 29 TYR A OH 1 +ATOM 229 N N . TYR A 1 30 ? -66.192 -9.264 49.270 1.00 49.80 ? 30 TYR A N 1 +ATOM 230 C CA . TYR A 1 30 ? -66.700 -10.619 49.473 1.00 50.12 ? 30 TYR A CA 1 +ATOM 231 C C . TYR A 1 30 ? -65.641 -11.697 49.215 1.00 52.61 ? 30 TYR A C 1 +ATOM 232 O O . TYR A 1 30 ? -65.832 -12.853 49.604 1.00 55.45 ? 30 TYR A O 1 +ATOM 233 C CB . TYR A 1 30 ? -67.915 -10.873 48.585 1.00 46.36 ? 30 TYR A CB 1 +ATOM 234 C CG . TYR A 1 30 ? -67.645 -10.550 47.142 1.00 44.87 ? 30 TYR A CG 1 +ATOM 235 C CD1 . TYR A 1 30 ? -66.919 -11.428 46.331 1.00 40.09 ? 30 TYR A CD1 1 +ATOM 236 C CD2 . TYR A 1 30 ? -68.092 -9.360 46.590 1.00 35.74 ? 30 TYR A CD2 1 +ATOM 237 C CE1 . TYR A 1 30 ? -66.660 -11.126 45.009 1.00 42.58 ? 30 TYR A CE1 1 +ATOM 238 C CE2 . TYR A 1 30 ? -67.837 -9.045 45.261 1.00 42.51 ? 30 TYR A CE2 1 +ATOM 239 C CZ . TYR A 1 30 ? -67.125 -9.930 44.478 1.00 47.78 ? 30 TYR A CZ 1 +ATOM 240 O OH . TYR A 1 30 ? -66.877 -9.613 43.161 1.00 57.20 ? 30 TYR A OH 1 +ATOM 241 N N . LEU A 1 31 ? -64.540 -11.345 48.548 1.00 52.33 ? 31 LEU A N 1 +ATOM 242 C CA . LEU A 1 31 ? -63.462 -12.321 48.355 1.00 53.45 ? 31 LEU A CA 1 +ATOM 243 C C . LEU A 1 31 ? -62.261 -12.053 49.255 1.00 53.47 ? 31 LEU A C 1 +ATOM 244 O O . LEU A 1 31 ? -61.243 -12.736 49.172 1.00 55.95 ? 31 LEU A O 1 +ATOM 245 C CB . LEU A 1 31 ? -63.044 -12.437 46.885 1.00 52.96 ? 31 LEU A CB 1 +ATOM 246 C CG . LEU A 1 31 ? -62.677 -11.152 46.171 1.00 54.25 ? 31 LEU A CG 1 +ATOM 247 C CD1 . LEU A 1 31 ? -61.563 -10.483 46.929 1.00 59.35 ? 31 LEU A CD1 1 +ATOM 248 C CD2 . LEU A 1 31 ? -62.267 -11.449 44.747 1.00 50.43 ? 31 LEU A CD2 1 +ATOM 249 N N . ALA A 1 32 ? -62.402 -11.059 50.125 1.00 55.12 ? 32 ALA A N 1 +ATOM 250 C CA . ALA A 1 32 ? -61.406 -10.734 51.136 1.00 52.49 ? 32 ALA A CA 1 +ATOM 251 C C . ALA A 1 32 ? -61.955 -9.599 51.968 1.00 51.33 ? 32 ALA A C 1 +ATOM 252 O O . ALA A 1 32 ? -62.608 -8.696 51.440 1.00 51.88 ? 32 ALA A O 1 +ATOM 253 C CB . ALA A 1 32 ? -60.095 -10.317 50.490 1.00 54.45 ? 32 ALA A CB 1 +ATOM 254 N N . GLU A 1 33 ? -61.688 -9.648 53.267 1.00 49.48 ? 33 GLU A N 1 +ATOM 255 C CA . GLU A 1 33 ? -62.119 -8.613 54.197 1.00 46.72 ? 33 GLU A CA 1 +ATOM 256 C C . GLU A 1 33 ? -61.553 -7.242 53.833 1.00 50.25 ? 33 GLU A C 1 +ATOM 257 O O . GLU A 1 33 ? -60.484 -7.146 53.216 1.00 54.53 ? 33 GLU A O 1 +ATOM 258 C CB . GLU A 1 33 ? -61.611 -8.971 55.568 1.00 44.25 ? 33 GLU A CB 1 +ATOM 259 C CG . GLU A 1 33 ? -61.958 -10.342 55.994 1.00 49.54 ? 33 GLU A CG 1 +ATOM 260 C CD . GLU A 1 33 ? -63.274 -10.366 56.697 1.00 68.16 ? 33 GLU A CD 1 +ATOM 261 O OE1 . GLU A 1 33 ? -64.268 -9.882 56.108 1.00 67.39 ? 33 GLU A OE1 1 +ATOM 262 O OE2 . GLU A 1 33 ? -63.304 -10.851 57.849 1.00 82.35 ? 33 GLU A OE2 1 +ATOM 263 N N . PRO A 1 34 ? -62.250 -6.160 54.226 1.00 50.72 ? 34 PRO A N 1 +ATOM 264 C CA . PRO A 1 34 ? -61.636 -4.849 53.989 1.00 49.24 ? 34 PRO A CA 1 +ATOM 265 C C . PRO A 1 34 ? -60.240 -4.701 54.612 1.00 48.30 ? 34 PRO A C 1 +ATOM 266 O O . PRO A 1 34 ? -59.407 -3.983 54.071 1.00 48.05 ? 34 PRO A O 1 +ATOM 267 C CB . PRO A 1 34 ? -62.627 -3.884 54.637 1.00 44.58 ? 34 PRO A CB 1 +ATOM 268 C CG . PRO A 1 34 ? -63.915 -4.587 54.529 1.00 45.35 ? 34 PRO A CG 1 +ATOM 269 C CD . PRO A 1 34 ? -63.615 -6.030 54.762 1.00 46.84 ? 34 PRO A CD 1 +ATOM 270 N N . TRP A 1 35 ? -59.969 -5.367 55.729 1.00 50.11 ? 35 TRP A N 1 +ATOM 271 C CA . TRP A 1 35 ? -58.682 -5.136 56.379 1.00 53.08 ? 35 TRP A CA 1 +ATOM 272 C C . TRP A 1 35 ? -57.557 -5.722 55.550 1.00 54.25 ? 35 TRP A C 1 +ATOM 273 O O . TRP A 1 35 ? -56.511 -5.104 55.376 1.00 58.25 ? 35 TRP A O 1 +ATOM 274 C CB . TRP A 1 35 ? -58.653 -5.637 57.817 1.00 50.26 ? 35 TRP A CB 1 +ATOM 275 C CG . TRP A 1 35 ? -58.664 -7.103 57.987 1.00 51.69 ? 35 TRP A CG 1 +ATOM 276 C CD1 . TRP A 1 35 ? -59.746 -7.876 58.250 1.00 50.84 ? 35 TRP A CD1 1 +ATOM 277 C CD2 . TRP A 1 35 ? -57.532 -7.988 57.963 1.00 56.16 ? 35 TRP A CD2 1 +ATOM 278 N NE1 . TRP A 1 35 ? -59.371 -9.195 58.381 1.00 53.26 ? 35 TRP A NE1 1 +ATOM 279 C CE2 . TRP A 1 35 ? -58.016 -9.292 58.213 1.00 54.14 ? 35 TRP A CE2 1 +ATOM 280 C CE3 . TRP A 1 35 ? -56.159 -7.807 57.749 1.00 55.77 ? 35 TRP A CE3 1 +ATOM 281 C CZ2 . TRP A 1 35 ? -57.179 -10.415 58.246 1.00 44.66 ? 35 TRP A CZ2 1 +ATOM 282 C CZ3 . TRP A 1 35 ? -55.323 -8.925 57.799 1.00 51.36 ? 35 TRP A CZ3 1 +ATOM 283 C CH2 . TRP A 1 35 ? -55.841 -10.211 58.043 1.00 44.04 ? 35 TRP A CH2 1 +ATOM 284 N N . GLN A 1 36 ? -57.798 -6.901 55.005 1.00 53.00 ? 36 GLN A N 1 +ATOM 285 C CA . GLN A 1 36 ? -56.872 -7.494 54.075 1.00 48.94 ? 36 GLN A CA 1 +ATOM 286 C C . GLN A 1 36 ? -56.598 -6.588 52.860 1.00 47.52 ? 36 GLN A C 1 +ATOM 287 O O . GLN A 1 36 ? -55.499 -6.614 52.306 1.00 47.75 ? 36 GLN A O 1 +ATOM 288 C CB . GLN A 1 36 ? -57.386 -8.857 53.652 1.00 49.14 ? 36 GLN A CB 1 +ATOM 289 C CG . GLN A 1 36 ? -57.578 -9.802 54.815 1.00 48.25 ? 36 GLN A CG 1 +ATOM 290 C CD . GLN A 1 36 ? -58.189 -11.116 54.381 1.00 56.27 ? 36 GLN A CD 1 +ATOM 291 O OE1 . GLN A 1 36 ? -59.294 -11.153 53.833 1.00 58.65 ? 36 GLN A OE1 1 +ATOM 292 N NE2 . GLN A 1 36 ? -57.468 -12.204 54.613 1.00 61.03 ? 36 GLN A NE2 1 +ATOM 293 N N . PHE A 1 37 ? -57.572 -5.786 52.441 1.00 44.83 ? 37 PHE A N 1 +ATOM 294 C CA . PHE A 1 37 ? -57.282 -4.808 51.382 1.00 46.82 ? 37 PHE A CA 1 +ATOM 295 C C . PHE A 1 37 ? -56.332 -3.718 51.874 1.00 45.80 ? 37 PHE A C 1 +ATOM 296 O O . PHE A 1 37 ? -55.462 -3.257 51.127 1.00 44.87 ? 37 PHE A O 1 +ATOM 297 C CB . PHE A 1 37 ? -58.551 -4.209 50.763 1.00 43.53 ? 37 PHE A CB 1 +ATOM 298 C CG . PHE A 1 37 ? -59.229 -5.136 49.821 1.00 51.06 ? 37 PHE A CG 1 +ATOM 299 C CD1 . PHE A 1 37 ? -58.924 -5.105 48.457 1.00 49.43 ? 37 PHE A CD1 1 +ATOM 300 C CD2 . PHE A 1 37 ? -60.151 -6.078 50.295 1.00 48.65 ? 37 PHE A CD2 1 +ATOM 301 C CE1 . PHE A 1 37 ? -59.545 -5.993 47.562 1.00 47.77 ? 37 PHE A CE1 1 +ATOM 302 C CE2 . PHE A 1 37 ? -60.779 -6.962 49.414 1.00 53.01 ? 37 PHE A CE2 1 +ATOM 303 C CZ . PHE A 1 37 ? -60.468 -6.923 48.040 1.00 51.24 ? 37 PHE A CZ 1 +ATOM 304 N N . SER A 1 38 ? -56.498 -3.328 53.137 1.00 44.29 ? 38 SER A N 1 +ATOM 305 C CA . SER A 1 38 ? -55.626 -2.345 53.762 1.00 42.72 ? 38 SER A CA 1 +ATOM 306 C C . SER A 1 38 ? -54.184 -2.854 53.866 1.00 41.93 ? 38 SER A C 1 +ATOM 307 O O . SER A 1 38 ? -53.226 -2.105 53.603 1.00 37.21 ? 38 SER A O 1 +ATOM 308 C CB . SER A 1 38 ? -56.166 -1.977 55.132 1.00 41.90 ? 38 SER A CB 1 +ATOM 309 O OG . SER A 1 38 ? -57.451 -1.426 54.986 1.00 42.72 ? 38 SER A OG 1 +ATOM 310 N N . MET A 1 39 ? -54.045 -4.129 54.233 1.00 40.01 ? 39 MET A N 1 +ATOM 311 C CA . MET A 1 39 ? -52.747 -4.784 54.260 1.00 39.73 ? 39 MET A CA 1 +ATOM 312 C C . MET A 1 39 ? -52.159 -4.872 52.861 1.00 42.81 ? 39 MET A C 1 +ATOM 313 O O . MET A 1 39 ? -50.959 -4.733 52.685 1.00 45.01 ? 39 MET A O 1 +ATOM 314 C CB . MET A 1 39 ? -52.858 -6.156 54.895 1.00 36.25 ? 39 MET A CB 1 +ATOM 315 C CG . MET A 1 39 ? -53.133 -6.095 56.406 1.00 48.75 ? 39 MET A CG 1 +ATOM 316 S SD . MET A 1 39 ? -51.888 -5.147 57.332 1.00 58.00 ? 39 MET A SD 1 +ATOM 317 C CE . MET A 1 39 ? -52.378 -3.474 56.962 1.00 61.35 ? 39 MET A CE 1 +ATOM 318 N N . LEU A 1 40 ? -52.999 -5.091 51.855 1.00 43.93 ? 40 LEU A N 1 +ATOM 319 C CA . LEU A 1 40 ? -52.505 -5.044 50.509 1.00 42.62 ? 40 LEU A CA 1 +ATOM 320 C C . LEU A 1 40 ? -51.927 -3.645 50.318 1.00 44.13 ? 40 LEU A C 1 +ATOM 321 O O . LEU A 1 40 ? -50.792 -3.492 49.878 1.00 48.13 ? 40 LEU A O 1 +ATOM 322 C CB . LEU A 1 40 ? -53.615 -5.346 49.489 1.00 43.44 ? 40 LEU A CB 1 +ATOM 323 C CG . LEU A 1 40 ? -53.310 -5.018 48.010 1.00 41.97 ? 40 LEU A CG 1 +ATOM 324 C CD1 . LEU A 1 40 ? -52.195 -5.863 47.434 1.00 28.27 ? 40 LEU A CD1 1 +ATOM 325 C CD2 . LEU A 1 40 ? -54.532 -5.158 47.139 1.00 54.51 ? 40 LEU A CD2 1 +ATOM 326 N N . ALA A 1 41 ? -52.700 -2.619 50.662 1.00 43.26 ? 41 ALA A N 1 +ATOM 327 C CA . ALA A 1 41 ? -52.240 -1.245 50.482 1.00 42.68 ? 41 ALA A CA 1 +ATOM 328 C C . ALA A 1 41 ? -51.008 -0.974 51.345 1.00 43.99 ? 41 ALA A C 1 +ATOM 329 O O . ALA A 1 41 ? -50.085 -0.290 50.914 1.00 46.13 ? 41 ALA A O 1 +ATOM 330 C CB . ALA A 1 41 ? -53.348 -0.254 50.797 1.00 41.57 ? 41 ALA A CB 1 +ATOM 331 N N . ALA A 1 42 ? -50.995 -1.513 52.563 1.00 40.83 ? 42 ALA A N 1 +ATOM 332 C CA . ALA A 1 42 ? -49.833 -1.392 53.410 1.00 38.19 ? 42 ALA A CA 1 +ATOM 333 C C . ALA A 1 42 ? -48.598 -1.942 52.666 1.00 41.95 ? 42 ALA A C 1 +ATOM 334 O O . ALA A 1 42 ? -47.547 -1.298 52.600 1.00 44.96 ? 42 ALA A O 1 +ATOM 335 C CB . ALA A 1 42 ? -50.060 -2.113 54.719 1.00 34.20 ? 42 ALA A CB 1 +ATOM 336 N N . TYR A 1 43 ? -48.727 -3.122 52.078 1.00 43.48 ? 43 TYR A N 1 +ATOM 337 C CA . TYR A 1 43 ? -47.604 -3.698 51.363 1.00 43.63 ? 43 TYR A CA 1 +ATOM 338 C C . TYR A 1 43 ? -47.149 -2.852 50.165 1.00 43.55 ? 43 TYR A C 1 +ATOM 339 O O . TYR A 1 43 ? -45.955 -2.690 49.937 1.00 44.55 ? 43 TYR A O 1 +ATOM 340 C CB . TYR A 1 43 ? -47.879 -5.136 50.937 1.00 40.87 ? 43 TYR A CB 1 +ATOM 341 C CG . TYR A 1 43 ? -46.597 -5.894 50.754 1.00 46.57 ? 43 TYR A CG 1 +ATOM 342 C CD1 . TYR A 1 43 ? -45.836 -6.285 51.866 1.00 46.77 ? 43 TYR A CD1 1 +ATOM 343 C CD2 . TYR A 1 43 ? -46.112 -6.184 49.480 1.00 45.70 ? 43 TYR A CD2 1 +ATOM 344 C CE1 . TYR A 1 43 ? -44.645 -6.965 51.718 1.00 46.45 ? 43 TYR A CE1 1 +ATOM 345 C CE2 . TYR A 1 43 ? -44.909 -6.873 49.314 1.00 53.82 ? 43 TYR A CE2 1 +ATOM 346 C CZ . TYR A 1 43 ? -44.181 -7.260 50.440 1.00 57.19 ? 43 TYR A CZ 1 +ATOM 347 O OH . TYR A 1 43 ? -42.989 -7.938 50.292 1.00 58.20 ? 43 TYR A OH 1 +ATOM 348 N N . MET A 1 44 ? -48.078 -2.307 49.399 1.00 42.20 ? 44 MET A N 1 +ATOM 349 C CA . MET A 1 44 ? -47.656 -1.462 48.297 1.00 46.61 ? 44 MET A CA 1 +ATOM 350 C C . MET A 1 44 ? -46.944 -0.223 48.846 1.00 48.27 ? 44 MET A C 1 +ATOM 351 O O . MET A 1 44 ? -46.028 0.332 48.212 1.00 48.41 ? 44 MET A O 1 +ATOM 352 C CB . MET A 1 44 ? -48.839 -1.066 47.409 1.00 45.96 ? 44 MET A CB 1 +ATOM 353 C CG . MET A 1 44 ? -49.471 -2.219 46.651 1.00 49.56 ? 44 MET A CG 1 +ATOM 354 S SD . MET A 1 44 ? -48.309 -3.204 45.685 1.00 47.53 ? 44 MET A SD 1 +ATOM 355 C CE . MET A 1 44 ? -48.007 -4.545 46.831 1.00 43.53 ? 44 MET A CE 1 +ATOM 356 N N . PHE A 1 45 ? -47.368 0.202 50.035 1.00 47.78 ? 45 PHE A N 1 +ATOM 357 C CA . PHE A 1 45 ? -46.775 1.369 50.670 1.00 47.39 ? 45 PHE A CA 1 +ATOM 358 C C . PHE A 1 45 ? -45.296 1.098 51.046 1.00 46.57 ? 45 PHE A C 1 +ATOM 359 O O . PHE A 1 45 ? -44.406 1.877 50.691 1.00 43.85 ? 45 PHE A O 1 +ATOM 360 C CB . PHE A 1 45 ? -47.612 1.823 51.870 1.00 44.25 ? 45 PHE A CB 1 +ATOM 361 C CG . PHE A 1 45 ? -47.123 3.095 52.487 1.00 45.39 ? 45 PHE A CG 1 +ATOM 362 C CD1 . PHE A 1 45 ? -47.042 4.263 51.727 1.00 38.49 ? 45 PHE A CD1 1 +ATOM 363 C CD2 . PHE A 1 45 ? -46.730 3.129 53.824 1.00 43.93 ? 45 PHE A CD2 1 +ATOM 364 C CE1 . PHE A 1 45 ? -46.578 5.451 52.292 1.00 33.71 ? 45 PHE A CE1 1 +ATOM 365 C CE2 . PHE A 1 45 ? -46.268 4.321 54.403 1.00 40.83 ? 45 PHE A CE2 1 +ATOM 366 C CZ . PHE A 1 45 ? -46.189 5.475 53.637 1.00 34.00 ? 45 PHE A CZ 1 +ATOM 367 N N . LEU A 1 46 ? -45.049 -0.013 51.738 1.00 43.70 ? 46 LEU A N 1 +ATOM 368 C CA . LEU A 1 46 ? -43.694 -0.487 51.988 1.00 45.99 ? 46 LEU A CA 1 +ATOM 369 C C . LEU A 1 46 ? -42.838 -0.484 50.710 1.00 49.49 ? 46 LEU A C 1 +ATOM 370 O O . LEU A 1 46 ? -41.787 0.165 50.655 1.00 52.71 ? 46 LEU A O 1 +ATOM 371 C CB . LEU A 1 46 ? -43.732 -1.896 52.587 1.00 45.22 ? 46 LEU A CB 1 +ATOM 372 C CG . LEU A 1 46 ? -42.464 -2.434 53.252 1.00 45.56 ? 46 LEU A CG 1 +ATOM 373 C CD1 . LEU A 1 46 ? -42.057 -1.511 54.373 1.00 54.53 ? 46 LEU A CD1 1 +ATOM 374 C CD2 . LEU A 1 46 ? -42.660 -3.853 53.797 1.00 41.41 ? 46 LEU A CD2 1 +ATOM 375 N N . LEU A 1 47 ? -43.290 -1.201 49.683 1.00 49.12 ? 47 LEU A N 1 +ATOM 376 C CA . LEU A 1 47 ? -42.526 -1.327 48.448 1.00 46.96 ? 47 LEU A CA 1 +ATOM 377 C C . LEU A 1 47 ? -42.212 0.017 47.806 1.00 44.15 ? 47 LEU A C 1 +ATOM 378 O O . LEU A 1 47 ? -41.201 0.145 47.140 1.00 44.97 ? 47 LEU A O 1 +ATOM 379 C CB . LEU A 1 47 ? -43.232 -2.249 47.439 1.00 48.97 ? 47 LEU A CB 1 +ATOM 380 C CG . LEU A 1 47 ? -43.482 -3.712 47.835 1.00 47.60 ? 47 LEU A CG 1 +ATOM 381 C CD1 . LEU A 1 47 ? -44.170 -4.414 46.700 1.00 51.99 ? 47 LEU A CD1 1 +ATOM 382 C CD2 . LEU A 1 47 ? -42.222 -4.468 48.229 1.00 42.06 ? 47 LEU A CD2 1 +ATOM 383 N N . ILE A 1 48 ? -43.070 1.012 47.993 1.00 42.89 ? 48 ILE A N 1 +ATOM 384 C CA . ILE A 1 48 ? -42.774 2.366 47.500 1.00 44.51 ? 48 ILE A CA 1 +ATOM 385 C C . ILE A 1 48 ? -41.728 3.077 48.395 1.00 46.54 ? 48 ILE A C 1 +ATOM 386 O O . ILE A 1 48 ? -40.677 3.536 47.923 1.00 46.40 ? 48 ILE A O 1 +ATOM 387 C CB . ILE A 1 48 ? -44.072 3.223 47.372 1.00 45.58 ? 48 ILE A CB 1 +ATOM 388 C CG1 . ILE A 1 48 ? -45.125 2.474 46.532 1.00 46.14 ? 48 ILE A CG1 1 +ATOM 389 C CG2 . ILE A 1 48 ? -43.760 4.614 46.789 1.00 39.54 ? 48 ILE A CG2 1 +ATOM 390 C CD1 . ILE A 1 48 ? -46.551 3.050 46.574 1.00 38.31 ? 48 ILE A CD1 1 +ATOM 391 N N . MET A 1 49 ? -42.020 3.141 49.694 1.00 48.00 ? 49 MET A N 1 +ATOM 392 C CA . MET A 1 49 ? -41.156 3.795 50.665 1.00 45.98 ? 49 MET A CA 1 +ATOM 393 C C . MET A 1 49 ? -39.723 3.254 50.637 1.00 48.24 ? 49 MET A C 1 +ATOM 394 O O . MET A 1 49 ? -38.776 4.019 50.836 1.00 48.29 ? 49 MET A O 1 +ATOM 395 C CB . MET A 1 49 ? -41.752 3.679 52.066 1.00 46.23 ? 49 MET A CB 1 +ATOM 396 C CG . MET A 1 49 ? -43.007 4.502 52.268 1.00 47.07 ? 49 MET A CG 1 +ATOM 397 S SD . MET A 1 49 ? -42.751 6.260 51.961 1.00 52.38 ? 49 MET A SD 1 +ATOM 398 C CE . MET A 1 49 ? -43.396 6.483 50.309 1.00 55.14 ? 49 MET A CE 1 +ATOM 399 N N . LEU A 1 50 ? -39.569 1.947 50.405 1.00 46.17 ? 50 LEU A N 1 +ATOM 400 C CA . LEU A 1 50 ? -38.244 1.354 50.206 1.00 44.64 ? 50 LEU A CA 1 +ATOM 401 C C . LEU A 1 50 ? -37.826 1.404 48.732 1.00 44.92 ? 50 LEU A C 1 +ATOM 402 O O . LEU A 1 50 ? -36.740 1.863 48.414 1.00 46.23 ? 50 LEU A O 1 +ATOM 403 C CB . LEU A 1 50 ? -38.180 -0.082 50.717 1.00 40.29 ? 50 LEU A CB 1 +ATOM 404 C CG . LEU A 1 50 ? -38.523 -0.332 52.188 1.00 48.94 ? 50 LEU A CG 1 +ATOM 405 C CD1 . LEU A 1 50 ? -38.308 -1.803 52.572 1.00 38.80 ? 50 LEU A CD1 1 +ATOM 406 C CD2 . LEU A 1 50 ? -37.740 0.580 53.124 1.00 52.83 ? 50 LEU A CD2 1 +ATOM 407 N N . GLY A 1 51 ? -38.703 0.951 47.842 1.00 44.44 ? 51 GLY A N 1 +ATOM 408 C CA . GLY A 1 51 ? -38.396 0.816 46.419 1.00 41.10 ? 51 GLY A CA 1 +ATOM 409 C C . GLY A 1 51 ? -37.977 2.070 45.674 1.00 41.61 ? 51 GLY A C 1 +ATOM 410 O O . GLY A 1 51 ? -37.032 2.038 44.894 1.00 42.90 ? 51 GLY A O 1 +ATOM 411 N N . PHE A 1 52 ? -38.670 3.179 45.900 1.00 42.52 ? 52 PHE A N 1 +ATOM 412 C CA . PHE A 1 52 ? -38.352 4.414 45.185 1.00 44.25 ? 52 PHE A CA 1 +ATOM 413 C C . PHE A 1 52 ? -36.993 4.992 45.596 1.00 48.05 ? 52 PHE A C 1 +ATOM 414 O O . PHE A 1 52 ? -36.178 5.323 44.737 1.00 48.80 ? 52 PHE A O 1 +ATOM 415 C CB . PHE A 1 52 ? -39.453 5.463 45.363 1.00 41.03 ? 52 PHE A CB 1 +ATOM 416 C CG . PHE A 1 52 ? -39.081 6.821 44.837 1.00 42.59 ? 52 PHE A CG 1 +ATOM 417 C CD1 . PHE A 1 52 ? -39.207 7.118 43.482 1.00 44.79 ? 52 PHE A CD1 1 +ATOM 418 C CD2 . PHE A 1 52 ? -38.602 7.809 45.695 1.00 50.01 ? 52 PHE A CD2 1 +ATOM 419 C CE1 . PHE A 1 52 ? -38.861 8.381 42.985 1.00 45.56 ? 52 PHE A CE1 1 +ATOM 420 C CE2 . PHE A 1 52 ? -38.258 9.086 45.211 1.00 50.10 ? 52 PHE A CE2 1 +ATOM 421 C CZ . PHE A 1 52 ? -38.388 9.369 43.853 1.00 48.82 ? 52 PHE A CZ 1 +ATOM 422 N N . PRO A 1 53 ? -36.742 5.127 46.915 1.00 50.07 ? 53 PRO A N 1 +ATOM 423 C CA . PRO A 1 53 ? -35.434 5.671 47.302 1.00 49.29 ? 53 PRO A CA 1 +ATOM 424 C C . PRO A 1 53 ? -34.246 4.829 46.784 1.00 49.94 ? 53 PRO A C 1 +ATOM 425 O O . PRO A 1 53 ? -33.342 5.373 46.143 1.00 51.59 ? 53 PRO A O 1 +ATOM 426 C CB . PRO A 1 53 ? -35.501 5.702 48.837 1.00 48.78 ? 53 PRO A CB 1 +ATOM 427 C CG . PRO A 1 53 ? -36.968 5.739 49.143 1.00 51.39 ? 53 PRO A CG 1 +ATOM 428 C CD . PRO A 1 53 ? -37.619 4.901 48.080 1.00 46.53 ? 53 PRO A CD 1 +ATOM 429 N N . ILE A 1 54 ? -34.260 3.523 47.037 1.00 48.85 ? 54 ILE A N 1 +ATOM 430 C CA . ILE A 1 54 ? -33.212 2.630 46.547 1.00 51.13 ? 54 ILE A CA 1 +ATOM 431 C C . ILE A 1 54 ? -32.953 2.764 45.046 1.00 50.72 ? 54 ILE A C 1 +ATOM 432 O O . ILE A 1 54 ? -31.810 2.824 44.609 1.00 53.17 ? 54 ILE A O 1 +ATOM 433 C CB . ILE A 1 54 ? -33.551 1.166 46.809 1.00 50.77 ? 54 ILE A CB 1 +ATOM 434 C CG1 . ILE A 1 54 ? -34.032 0.961 48.253 1.00 62.47 ? 54 ILE A CG1 1 +ATOM 435 C CG2 . ILE A 1 54 ? -32.362 0.296 46.513 1.00 51.10 ? 54 ILE A CG2 1 +ATOM 436 C CD1 . ILE A 1 54 ? -32.943 0.944 49.309 1.00 75.40 ? 54 ILE A CD1 1 +ATOM 437 N N . ASN A 1 55 ? -34.002 2.794 44.246 1.00 50.11 ? 55 ASN A N 1 +ATOM 438 C CA . ASN A 1 55 ? -33.800 2.796 42.806 1.00 49.97 ? 55 ASN A CA 1 +ATOM 439 C C . ASN A 1 55 ? -33.518 4.170 42.239 1.00 51.10 ? 55 ASN A C 1 +ATOM 440 O O . ASN A 1 55 ? -32.766 4.300 41.282 1.00 54.84 ? 55 ASN A O 1 +ATOM 441 C CB . ASN A 1 55 ? -34.970 2.124 42.084 1.00 48.04 ? 55 ASN A CB 1 +ATOM 442 C CG . ASN A 1 55 ? -35.014 0.634 42.340 1.00 51.66 ? 55 ASN A CG 1 +ATOM 443 O OD1 . ASN A 1 55 ? -35.784 0.155 43.181 1.00 47.68 ? 55 ASN A OD1 1 +ATOM 444 N ND2 . ASN A 1 55 ? -34.155 -0.111 41.642 1.00 49.32 ? 55 ASN A ND2 1 +ATOM 445 N N . PHE A 1 56 ? -34.122 5.196 42.822 1.00 52.44 ? 56 PHE A N 1 +ATOM 446 C CA . PHE A 1 56 ? -33.859 6.561 42.385 1.00 54.72 ? 56 PHE A CA 1 +ATOM 447 C C . PHE A 1 56 ? -32.416 6.960 42.720 1.00 55.20 ? 56 PHE A C 1 +ATOM 448 O O . PHE A 1 56 ? -31.699 7.488 41.868 1.00 55.01 ? 56 PHE A O 1 +ATOM 449 C CB . PHE A 1 56 ? -34.851 7.544 43.016 1.00 56.01 ? 56 PHE A CB 1 +ATOM 450 C CG . PHE A 1 56 ? -34.633 8.968 42.598 1.00 55.50 ? 56 PHE A CG 1 +ATOM 451 C CD1 . PHE A 1 56 ? -34.987 9.391 41.314 1.00 56.34 ? 56 PHE A CD1 1 +ATOM 452 C CD2 . PHE A 1 56 ? -34.063 9.878 43.474 1.00 51.88 ? 56 PHE A CD2 1 +ATOM 453 C CE1 . PHE A 1 56 ? -34.784 10.698 40.910 1.00 50.71 ? 56 PHE A CE1 1 +ATOM 454 C CE2 . PHE A 1 56 ? -33.856 11.187 43.082 1.00 58.81 ? 56 PHE A CE2 1 +ATOM 455 C CZ . PHE A 1 56 ? -34.220 11.600 41.792 1.00 55.85 ? 56 PHE A CZ 1 +ATOM 456 N N . LEU A 1 57 ? -32.000 6.691 43.958 1.00 53.74 ? 57 LEU A N 1 +ATOM 457 C CA . LEU A 1 57 ? -30.626 6.924 44.380 1.00 54.52 ? 57 LEU A CA 1 +ATOM 458 C C . LEU A 1 57 ? -29.616 6.305 43.404 1.00 55.19 ? 57 LEU A C 1 +ATOM 459 O O . LEU A 1 57 ? -28.589 6.901 43.096 1.00 59.17 ? 57 LEU A O 1 +ATOM 460 C CB . LEU A 1 57 ? -30.409 6.377 45.795 1.00 55.31 ? 57 LEU A CB 1 +ATOM 461 C CG . LEU A 1 57 ? -29.133 6.821 46.529 1.00 60.42 ? 57 LEU A CG 1 +ATOM 462 C CD1 . LEU A 1 57 ? -29.142 8.327 46.782 1.00 54.93 ? 57 LEU A CD1 1 +ATOM 463 C CD2 . LEU A 1 57 ? -28.927 6.047 47.838 1.00 54.62 ? 57 LEU A CD2 1 +ATOM 464 N N . THR A 1 58 ? -29.919 5.114 42.905 1.00 53.11 ? 58 THR A N 1 +ATOM 465 C CA . THR A 1 58 ? -29.041 4.440 41.971 1.00 50.26 ? 58 THR A CA 1 +ATOM 466 C C . THR A 1 58 ? -28.819 5.270 40.717 1.00 54.10 ? 58 THR A C 1 +ATOM 467 O O . THR A 1 58 ? -27.702 5.348 40.212 1.00 59.80 ? 58 THR A O 1 +ATOM 468 C CB . THR A 1 58 ? -29.582 3.059 41.605 1.00 48.60 ? 58 THR A CB 1 +ATOM 469 O OG1 . THR A 1 58 ? -29.629 2.250 42.787 1.00 45.35 ? 58 THR A OG1 1 +ATOM 470 C CG2 . THR A 1 58 ? -28.690 2.386 40.571 1.00 45.49 ? 58 THR A CG2 1 +ATOM 471 N N . LEU A 1 59 ? -29.875 5.894 40.213 1.00 55.25 ? 59 LEU A N 1 +ATOM 472 C CA . LEU A 1 59 ? -29.743 6.764 39.052 1.00 54.51 ? 59 LEU A CA 1 +ATOM 473 C C . LEU A 1 59 ? -29.026 8.040 39.448 1.00 54.90 ? 59 LEU A C 1 +ATOM 474 O O . LEU A 1 59 ? -28.187 8.548 38.709 1.00 53.79 ? 59 LEU A O 1 +ATOM 475 C CB . LEU A 1 59 ? -31.113 7.131 38.496 1.00 53.93 ? 59 LEU A CB 1 +ATOM 476 C CG . LEU A 1 59 ? -32.030 5.999 38.059 1.00 55.98 ? 59 LEU A CG 1 +ATOM 477 C CD1 . LEU A 1 59 ? -33.218 6.611 37.327 1.00 54.42 ? 59 LEU A CD1 1 +ATOM 478 C CD2 . LEU A 1 59 ? -31.282 4.993 37.180 1.00 55.95 ? 59 LEU A CD2 1 +ATOM 479 N N . TYR A 1 60 ? -29.362 8.542 40.631 1.00 54.61 ? 60 TYR A N 1 +ATOM 480 C CA . TYR A 1 60 ? -28.896 9.844 41.086 1.00 56.86 ? 60 TYR A CA 1 +ATOM 481 C C . TYR A 1 60 ? -27.391 9.846 41.315 1.00 57.63 ? 60 TYR A C 1 +ATOM 482 O O . TYR A 1 60 ? -26.645 10.691 40.801 1.00 58.68 ? 60 TYR A O 1 +ATOM 483 C CB . TYR A 1 60 ? -29.617 10.226 42.378 1.00 56.53 ? 60 TYR A CB 1 +ATOM 484 C CG . TYR A 1 60 ? -29.275 11.607 42.858 1.00 61.79 ? 60 TYR A CG 1 +ATOM 485 C CD1 . TYR A 1 60 ? -29.832 12.729 42.253 1.00 65.46 ? 60 TYR A CD1 1 +ATOM 486 C CD2 . TYR A 1 60 ? -28.383 11.795 43.911 1.00 65.16 ? 60 TYR A CD2 1 +ATOM 487 C CE1 . TYR A 1 60 ? -29.518 13.999 42.691 1.00 71.08 ? 60 TYR A CE1 1 +ATOM 488 C CE2 . TYR A 1 60 ? -28.064 13.061 44.355 1.00 65.40 ? 60 TYR A CE2 1 +ATOM 489 C CZ . TYR A 1 60 ? -28.634 14.156 43.740 1.00 68.72 ? 60 TYR A CZ 1 +ATOM 490 O OH . TYR A 1 60 ? -28.313 15.413 44.171 1.00 75.62 ? 60 TYR A OH 1 +ATOM 491 N N . VAL A 1 61 ? -26.956 8.879 42.099 1.00 56.29 ? 61 VAL A N 1 +ATOM 492 C CA . VAL A 1 61 ? -25.566 8.715 42.400 1.00 54.68 ? 61 VAL A CA 1 +ATOM 493 C C . VAL A 1 61 ? -24.772 8.516 41.089 1.00 54.23 ? 61 VAL A C 1 +ATOM 494 O O . VAL A 1 61 ? -23.629 8.928 40.976 1.00 55.14 ? 61 VAL A O 1 +ATOM 495 C CB . VAL A 1 61 ? -25.414 7.549 43.380 1.00 53.22 ? 61 VAL A CB 1 +ATOM 496 C CG1 . VAL A 1 61 ? -25.202 6.236 42.633 1.00 56.73 ? 61 VAL A CG1 1 +ATOM 497 C CG2 . VAL A 1 61 ? -24.311 7.813 44.352 1.00 58.04 ? 61 VAL A CG2 1 +ATOM 498 N N . THR A 1 62 ? -25.391 7.919 40.082 1.00 55.15 ? 62 THR A N 1 +ATOM 499 C CA . THR A 1 62 ? -24.705 7.705 38.814 1.00 56.18 ? 62 THR A CA 1 +ATOM 500 C C . THR A 1 62 ? -24.500 9.023 38.060 1.00 57.59 ? 62 THR A C 1 +ATOM 501 O O . THR A 1 62 ? -23.495 9.217 37.372 1.00 58.94 ? 62 THR A O 1 +ATOM 502 C CB . THR A 1 62 ? -25.447 6.663 37.944 1.00 56.28 ? 62 THR A CB 1 +ATOM 503 O OG1 . THR A 1 62 ? -25.272 5.366 38.526 1.00 59.27 ? 62 THR A OG1 1 +ATOM 504 C CG2 . THR A 1 62 ? -24.915 6.639 36.511 1.00 48.65 ? 62 THR A CG2 1 +ATOM 505 N N . VAL A 1 63 ? -25.448 9.936 38.204 1.00 57.34 ? 63 VAL A N 1 +ATOM 506 C CA . VAL A 1 63 ? -25.335 11.235 37.563 1.00 57.10 ? 63 VAL A CA 1 +ATOM 507 C C . VAL A 1 63 ? -24.196 12.068 38.174 1.00 58.28 ? 63 VAL A C 1 +ATOM 508 O O . VAL A 1 63 ? -23.658 12.963 37.518 1.00 58.61 ? 63 VAL A O 1 +ATOM 509 C CB . VAL A 1 63 ? -26.693 12.014 37.613 1.00 57.49 ? 63 VAL A CB 1 +ATOM 510 C CG1 . VAL A 1 63 ? -26.493 13.523 37.491 1.00 53.63 ? 63 VAL A CG1 1 +ATOM 511 C CG2 . VAL A 1 63 ? -27.629 11.521 36.530 1.00 56.98 ? 63 VAL A CG2 1 +ATOM 512 N N A GLN A 1 64 ? -23.807 11.753 39.406 0.50 57.97 ? 64 GLN A N 1 +ATOM 513 N N B GLN A 1 64 ? -23.839 11.780 39.426 0.50 57.80 ? 64 GLN A N 1 +ATOM 514 C CA A GLN A 1 64 ? -22.854 12.601 40.108 0.50 57.80 ? 64 GLN A CA 1 +ATOM 515 C CA B GLN A 1 64 ? -22.868 12.615 40.135 0.50 57.42 ? 64 GLN A CA 1 +ATOM 516 C C A GLN A 1 64 ? -21.519 11.949 40.469 0.50 57.89 ? 64 GLN A C 1 +ATOM 517 C C B GLN A 1 64 ? -21.518 11.955 40.461 0.50 57.70 ? 64 GLN A C 1 +ATOM 518 O O A GLN A 1 64 ? -20.652 12.589 41.064 0.50 57.91 ? 64 GLN A O 1 +ATOM 519 O O B GLN A 1 64 ? -20.638 12.599 41.031 0.50 57.71 ? 64 GLN A O 1 +ATOM 520 C CB A GLN A 1 64 ? -23.526 13.234 41.321 0.50 57.66 ? 64 GLN A CB 1 +ATOM 521 C CB B GLN A 1 64 ? -23.496 13.253 41.384 0.50 57.28 ? 64 GLN A CB 1 +ATOM 522 C CG A GLN A 1 64 ? -24.786 13.972 40.925 0.50 58.14 ? 64 GLN A CG 1 +ATOM 523 C CG B GLN A 1 64 ? -23.546 12.372 42.615 0.50 56.09 ? 64 GLN A CG 1 +ATOM 524 C CD A GLN A 1 64 ? -25.124 15.087 41.866 0.50 58.74 ? 64 GLN A CD 1 +ATOM 525 C CD B GLN A 1 64 ? -23.843 13.167 43.879 0.50 61.04 ? 64 GLN A CD 1 +ATOM 526 O OE1 A GLN A 1 64 ? -24.622 15.138 42.986 0.50 65.00 ? 64 GLN A OE1 1 +ATOM 527 O OE1 B GLN A 1 64 ? -24.599 14.137 43.853 0.50 63.83 ? 64 GLN A OE1 1 +ATOM 528 N NE2 A GLN A 1 64 ? -25.984 15.994 41.422 0.50 58.94 ? 64 GLN A NE2 1 +ATOM 529 N NE2 B GLN A 1 64 ? -23.244 12.761 44.990 0.50 63.78 ? 64 GLN A NE2 1 +ATOM 530 N N . HIS A 1 65 ? -21.354 10.686 40.091 1.00 57.56 ? 65 HIS A N 1 +ATOM 531 C CA . HIS A 1 65 ? -20.072 9.997 40.251 1.00 57.06 ? 65 HIS A CA 1 +ATOM 532 C C . HIS A 1 65 ? -19.564 9.470 38.915 1.00 59.11 ? 65 HIS A C 1 +ATOM 533 O O . HIS A 1 65 ? -20.014 8.429 38.450 1.00 59.69 ? 65 HIS A O 1 +ATOM 534 C CB . HIS A 1 65 ? -20.179 8.856 41.262 1.00 53.43 ? 65 HIS A CB 1 +ATOM 535 C CG . HIS A 1 65 ? -20.478 9.312 42.658 1.00 56.78 ? 65 HIS A CG 1 +ATOM 536 N ND1 . HIS A 1 65 ? -19.508 9.419 43.632 1.00 61.09 ? 65 HIS A ND1 1 +ATOM 537 C CD2 . HIS A 1 65 ? -21.639 9.692 43.243 1.00 54.45 ? 65 HIS A CD2 1 +ATOM 538 C CE1 . HIS A 1 65 ? -20.060 9.837 44.758 1.00 64.29 ? 65 HIS A CE1 1 +ATOM 539 N NE2 . HIS A 1 65 ? -21.353 10.010 44.549 1.00 60.24 ? 65 HIS A NE2 1 +ATOM 540 N N . LYS A 1 66 ? -18.629 10.197 38.300 1.00 63.08 ? 66 LYS A N 1 +ATOM 541 C CA . LYS A 1 66 ? -17.994 9.772 37.041 1.00 65.92 ? 66 LYS A CA 1 +ATOM 542 C C . LYS A 1 66 ? -17.754 8.268 36.977 1.00 64.22 ? 66 LYS A C 1 +ATOM 543 O O . LYS A 1 66 ? -18.164 7.611 36.021 1.00 66.09 ? 66 LYS A O 1 +ATOM 544 C CB . LYS A 1 66 ? -16.628 10.437 36.866 1.00 68.96 ? 66 LYS A CB 1 +ATOM 545 C CG . LYS A 1 66 ? -16.606 11.859 36.359 1.00 81.94 ? 66 LYS A CG 1 +ATOM 546 C CD . LYS A 1 66 ? -15.157 12.393 36.420 1.00 98.42 ? 66 LYS A CD 1 +ATOM 547 C CE . LYS A 1 66 ? -15.028 13.848 35.953 1.00 103.14 ? 66 LYS A CE 1 +ATOM 548 N NZ . LYS A 1 66 ? -13.617 14.326 36.042 1.00 101.38 ? 66 LYS A NZ 1 +ATOM 549 N N . LYS A 1 67 ? -17.060 7.743 37.989 1.00 62.05 ? 67 LYS A N 1 +ATOM 550 C CA . LYS A 1 67 ? -16.556 6.363 37.985 1.00 62.42 ? 67 LYS A CA 1 +ATOM 551 C C . LYS A 1 67 ? -17.630 5.288 37.823 1.00 60.25 ? 67 LYS A C 1 +ATOM 552 O O . LYS A 1 67 ? -17.319 4.154 37.459 1.00 60.36 ? 67 LYS A O 1 +ATOM 553 C CB . LYS A 1 67 ? -15.728 6.072 39.245 1.00 63.51 ? 67 LYS A CB 1 +ATOM 554 C CG . LYS A 1 67 ? -14.362 6.729 39.280 1.00 69.30 ? 67 LYS A CG 1 +ATOM 555 C CD . LYS A 1 67 ? -13.605 6.563 37.968 1.00 81.28 ? 67 LYS A CD 1 +ATOM 556 C CE . LYS A 1 67 ? -12.224 7.212 38.046 1.00 88.05 ? 67 LYS A CE 1 +ATOM 557 N NZ . LYS A 1 67 ? -11.821 7.834 36.749 1.00 91.15 ? 67 LYS A NZ 1 +ATOM 558 N N . LEU A 1 68 ? -18.882 5.640 38.099 1.00 57.35 ? 68 LEU A N 1 +ATOM 559 C CA . LEU A 1 68 ? -19.989 4.710 37.930 1.00 54.77 ? 68 LEU A CA 1 +ATOM 560 C C . LEU A 1 68 ? -20.436 4.596 36.471 1.00 55.19 ? 68 LEU A C 1 +ATOM 561 O O . LEU A 1 68 ? -20.988 3.572 36.075 1.00 55.89 ? 68 LEU A O 1 +ATOM 562 C CB . LEU A 1 68 ? -21.168 5.114 38.809 1.00 53.15 ? 68 LEU A CB 1 +ATOM 563 C CG . LEU A 1 68 ? -20.921 5.091 40.319 1.00 52.77 ? 68 LEU A CG 1 +ATOM 564 C CD1 . LEU A 1 68 ? -22.103 5.683 41.089 1.00 53.79 ? 68 LEU A CD1 1 +ATOM 565 C CD2 . LEU A 1 68 ? -20.632 3.692 40.804 1.00 54.62 ? 68 LEU A CD2 1 +ATOM 566 N N . ARG A 1 69 ? -20.189 5.631 35.672 1.00 53.98 ? 69 ARG A N 1 +ATOM 567 C CA . ARG A 1 69 ? -20.676 5.665 34.291 1.00 53.53 ? 69 ARG A CA 1 +ATOM 568 C C . ARG A 1 69 ? -19.889 4.813 33.288 1.00 55.82 ? 69 ARG A C 1 +ATOM 569 O O . ARG A 1 69 ? -19.513 5.301 32.226 1.00 56.81 ? 69 ARG A O 1 +ATOM 570 C CB . ARG A 1 69 ? -20.754 7.096 33.784 1.00 52.19 ? 69 ARG A CB 1 +ATOM 571 C CG . ARG A 1 69 ? -21.792 7.935 34.474 1.00 52.72 ? 69 ARG A CG 1 +ATOM 572 C CD . ARG A 1 69 ? -21.856 9.322 33.866 1.00 58.14 ? 69 ARG A CD 1 +ATOM 573 N NE . ARG A 1 69 ? -22.032 10.307 34.919 1.00 67.73 ? 69 ARG A NE 1 +ATOM 574 C CZ . ARG A 1 69 ? -21.085 11.139 35.339 1.00 72.96 ? 69 ARG A CZ 1 +ATOM 575 N NH1 . ARG A 1 69 ? -21.351 11.985 36.322 1.00 78.16 ? 69 ARG A NH1 1 +ATOM 576 N NH2 . ARG A 1 69 ? -19.883 11.136 34.778 1.00 72.46 ? 69 ARG A NH2 1 +ATOM 577 N N . THR A 1 70 ? -19.671 3.543 33.615 1.00 57.30 ? 70 THR A N 1 +ATOM 578 C CA . THR A 1 70 ? -18.984 2.609 32.727 1.00 58.67 ? 70 THR A CA 1 +ATOM 579 C C . THR A 1 70 ? -19.981 1.679 32.010 1.00 60.62 ? 70 THR A C 1 +ATOM 580 O O . THR A 1 70 ? -21.057 1.394 32.545 1.00 60.88 ? 70 THR A O 1 +ATOM 581 C CB . THR A 1 70 ? -18.025 1.736 33.525 1.00 57.26 ? 70 THR A CB 1 +ATOM 582 O OG1 . THR A 1 70 ? -18.776 0.977 34.480 1.00 63.91 ? 70 THR A OG1 1 +ATOM 583 C CG2 . THR A 1 70 ? -17.034 2.589 34.263 1.00 58.38 ? 70 THR A CG2 1 +ATOM 584 N N . PRO A 1 71 ? -19.626 1.196 30.797 1.00 60.24 ? 71 PRO A N 1 +ATOM 585 C CA . PRO A 1 71 ? -20.509 0.306 30.034 1.00 58.31 ? 71 PRO A CA 1 +ATOM 586 C C . PRO A 1 71 ? -21.068 -0.882 30.826 1.00 57.05 ? 71 PRO A C 1 +ATOM 587 O O . PRO A 1 71 ? -22.245 -1.240 30.654 1.00 57.98 ? 71 PRO A O 1 +ATOM 588 C CB . PRO A 1 71 ? -19.604 -0.167 28.890 1.00 56.37 ? 71 PRO A CB 1 +ATOM 589 C CG . PRO A 1 71 ? -18.780 1.018 28.618 1.00 54.24 ? 71 PRO A CG 1 +ATOM 590 C CD . PRO A 1 71 ? -18.475 1.619 29.980 1.00 57.63 ? 71 PRO A CD 1 +ATOM 591 N N . LEU A 1 72 ? -20.239 -1.482 31.680 1.00 55.11 ? 72 LEU A N 1 +ATOM 592 C CA . LEU A 1 72 ? -20.657 -2.639 32.475 1.00 53.06 ? 72 LEU A CA 1 +ATOM 593 C C . LEU A 1 72 ? -21.664 -2.276 33.559 1.00 53.59 ? 72 LEU A C 1 +ATOM 594 O O . LEU A 1 72 ? -22.217 -3.154 34.213 1.00 56.58 ? 72 LEU A O 1 +ATOM 595 C CB . LEU A 1 72 ? -19.461 -3.339 33.109 1.00 51.07 ? 72 LEU A CB 1 +ATOM 596 C CG . LEU A 1 72 ? -18.499 -4.081 32.179 1.00 55.68 ? 72 LEU A CG 1 +ATOM 597 C CD1 . LEU A 1 72 ? -17.235 -4.519 32.934 1.00 47.08 ? 72 LEU A CD1 1 +ATOM 598 C CD2 . LEU A 1 72 ? -19.192 -5.274 31.505 1.00 54.79 ? 72 LEU A CD2 1 +ATOM 599 N N . ASN A 1 73 ? -21.905 -0.986 33.753 1.00 50.82 ? 73 ASN A N 1 +ATOM 600 C CA . ASN A 1 73 ? -22.896 -0.567 34.718 1.00 50.04 ? 73 ASN A CA 1 +ATOM 601 C C . ASN A 1 73 ? -24.249 -0.243 34.090 1.00 51.19 ? 73 ASN A C 1 +ATOM 602 O O . ASN A 1 73 ? -25.270 -0.227 34.787 1.00 55.26 ? 73 ASN A O 1 +ATOM 603 C CB . ASN A 1 73 ? -22.382 0.626 35.522 1.00 50.99 ? 73 ASN A CB 1 +ATOM 604 C CG . ASN A 1 73 ? -21.451 0.218 36.636 1.00 48.00 ? 73 ASN A CG 1 +ATOM 605 O OD1 . ASN A 1 73 ? -21.237 -0.964 36.878 1.00 49.94 ? 73 ASN A OD1 1 +ATOM 606 N ND2 . ASN A 1 73 ? -20.897 1.199 37.330 1.00 56.85 ? 73 ASN A ND2 1 +ATOM 607 N N . TYR A 1 74 ? -24.257 0.024 32.785 1.00 49.95 ? 74 TYR A N 1 +ATOM 608 C CA . TYR A 1 74 ? -25.491 0.342 32.053 1.00 51.77 ? 74 TYR A CA 1 +ATOM 609 C C . TYR A 1 74 ? -26.637 -0.607 32.427 1.00 50.46 ? 74 TYR A C 1 +ATOM 610 O O . TYR A 1 74 ? -27.750 -0.171 32.708 1.00 50.96 ? 74 TYR A O 1 +ATOM 611 C CB . TYR A 1 74 ? -25.263 0.253 30.537 1.00 53.41 ? 74 TYR A CB 1 +ATOM 612 C CG . TYR A 1 74 ? -24.475 1.382 29.894 1.00 59.02 ? 74 TYR A CG 1 +ATOM 613 C CD1 . TYR A 1 74 ? -23.722 2.277 30.655 1.00 59.62 ? 74 TYR A CD1 1 +ATOM 614 C CD2 . TYR A 1 74 ? -24.455 1.522 28.505 1.00 67.26 ? 74 TYR A CD2 1 +ATOM 615 C CE1 . TYR A 1 74 ? -22.994 3.294 30.051 1.00 61.72 ? 74 TYR A CE1 1 +ATOM 616 C CE2 . TYR A 1 74 ? -23.727 2.528 27.890 1.00 67.37 ? 74 TYR A CE2 1 +ATOM 617 C CZ . TYR A 1 74 ? -22.999 3.410 28.665 1.00 70.10 ? 74 TYR A CZ 1 +ATOM 618 O OH . TYR A 1 74 ? -22.280 4.405 28.043 1.00 70.58 ? 74 TYR A OH 1 +ATOM 619 N N . ILE A 1 75 ? -26.356 -1.907 32.422 1.00 49.55 ? 75 ILE A N 1 +ATOM 620 C CA . ILE A 1 75 ? -27.384 -2.905 32.666 1.00 48.99 ? 75 ILE A CA 1 +ATOM 621 C C . ILE A 1 75 ? -27.949 -2.775 34.077 1.00 49.91 ? 75 ILE A C 1 +ATOM 622 O O . ILE A 1 75 ? -29.138 -3.044 34.293 1.00 50.00 ? 75 ILE A O 1 +ATOM 623 C CB . ILE A 1 75 ? -26.873 -4.351 32.400 1.00 50.09 ? 75 ILE A CB 1 +ATOM 624 C CG1 . ILE A 1 75 ? -28.045 -5.308 32.120 1.00 52.54 ? 75 ILE A CG1 1 +ATOM 625 C CG2 . ILE A 1 75 ? -25.998 -4.851 33.553 1.00 48.36 ? 75 ILE A CG2 1 +ATOM 626 C CD1 . ILE A 1 75 ? -28.842 -4.975 30.860 1.00 48.46 ? 75 ILE A CD1 1 +ATOM 627 N N . LEU A 1 76 ? -27.104 -2.358 35.025 1.00 47.75 ? 76 LEU A N 1 +ATOM 628 C CA . LEU A 1 76 ? -27.545 -2.120 36.401 1.00 47.43 ? 76 LEU A CA 1 +ATOM 629 C C . LEU A 1 76 ? -28.422 -0.872 36.495 1.00 48.38 ? 76 LEU A C 1 +ATOM 630 O O . LEU A 1 76 ? -29.426 -0.860 37.207 1.00 47.64 ? 76 LEU A O 1 +ATOM 631 C CB . LEU A 1 76 ? -26.356 -1.999 37.346 1.00 44.70 ? 76 LEU A CB 1 +ATOM 632 C CG . LEU A 1 76 ? -25.514 -3.259 37.500 1.00 48.22 ? 76 LEU A CG 1 +ATOM 633 C CD1 . LEU A 1 76 ? -24.237 -2.924 38.229 1.00 46.68 ? 76 LEU A CD1 1 +ATOM 634 C CD2 . LEU A 1 76 ? -26.287 -4.364 38.219 1.00 45.74 ? 76 LEU A CD2 1 +ATOM 635 N N . LEU A 1 77 ? -28.048 0.180 35.775 1.00 48.58 ? 77 LEU A N 1 +ATOM 636 C CA . LEU A 1 77 ? -28.892 1.362 35.720 1.00 51.39 ? 77 LEU A CA 1 +ATOM 637 C C . LEU A 1 77 ? -30.225 0.952 35.144 1.00 51.20 ? 77 LEU A C 1 +ATOM 638 O O . LEU A 1 77 ? -31.287 1.385 35.603 1.00 52.95 ? 77 LEU A O 1 +ATOM 639 C CB . LEU A 1 77 ? -28.261 2.459 34.855 1.00 51.70 ? 77 LEU A CB 1 +ATOM 640 C CG . LEU A 1 77 ? -27.100 3.224 35.492 1.00 57.08 ? 77 LEU A CG 1 +ATOM 641 C CD1 . LEU A 1 77 ? -26.748 4.432 34.641 1.00 61.11 ? 77 LEU A CD1 1 +ATOM 642 C CD2 . LEU A 1 77 ? -27.435 3.654 36.916 1.00 55.50 ? 77 LEU A CD2 1 +ATOM 643 N N . ASN A 1 78 ? -30.151 0.102 34.128 1.00 50.47 ? 78 ASN A N 1 +ATOM 644 C CA . ASN A 1 78 ? -31.324 -0.406 33.457 1.00 47.97 ? 78 ASN A CA 1 +ATOM 645 C C . ASN A 1 78 ? -32.224 -1.117 34.457 1.00 46.49 ? 78 ASN A C 1 +ATOM 646 O O . ASN A 1 78 ? -33.419 -0.862 34.520 1.00 45.34 ? 78 ASN A O 1 +ATOM 647 C CB . ASN A 1 78 ? -30.900 -1.367 32.354 1.00 48.11 ? 78 ASN A CB 1 +ATOM 648 C CG . ASN A 1 78 ? -32.039 -1.740 31.453 1.00 46.03 ? 78 ASN A CG 1 +ATOM 649 O OD1 . ASN A 1 78 ? -32.693 -0.869 30.893 1.00 39.40 ? 78 ASN A OD1 1 +ATOM 650 N ND2 . ASN A 1 78 ? -32.295 -3.039 31.312 1.00 43.69 ? 78 ASN A ND2 1 +ATOM 651 N N . LEU A 1 79 ? -31.628 -2.001 35.247 1.00 44.55 ? 79 LEU A N 1 +ATOM 652 C CA . LEU A 1 79 ? -32.332 -2.653 36.330 1.00 44.58 ? 79 LEU A CA 1 +ATOM 653 C C . LEU A 1 79 ? -33.080 -1.648 37.200 1.00 46.52 ? 79 LEU A C 1 +ATOM 654 O O . LEU A 1 79 ? -34.241 -1.856 37.550 1.00 49.24 ? 79 LEU A O 1 +ATOM 655 C CB . LEU A 1 79 ? -31.351 -3.425 37.193 1.00 45.28 ? 79 LEU A CB 1 +ATOM 656 C CG . LEU A 1 79 ? -32.019 -4.056 38.400 1.00 41.52 ? 79 LEU A CG 1 +ATOM 657 C CD1 . LEU A 1 79 ? -32.976 -5.100 37.881 1.00 40.59 ? 79 LEU A CD1 1 +ATOM 658 C CD2 . LEU A 1 79 ? -30.982 -4.649 39.349 1.00 34.38 ? 79 LEU A CD2 1 +ATOM 659 N N . ALA A 1 80 ? -32.418 -0.552 37.546 1.00 45.75 ? 80 ALA A N 1 +ATOM 660 C CA . ALA A 1 80 ? -33.045 0.447 38.398 1.00 47.06 ? 80 ALA A CA 1 +ATOM 661 C C . ALA A 1 80 ? -34.255 1.115 37.736 1.00 47.81 ? 80 ALA A C 1 +ATOM 662 O O . ALA A 1 80 ? -35.250 1.381 38.410 1.00 51.30 ? 80 ALA A O 1 +ATOM 663 C CB . ALA A 1 80 ? -32.020 1.490 38.870 1.00 47.31 ? 80 ALA A CB 1 +ATOM 664 N N . VAL A 1 81 ? -34.164 1.393 36.434 1.00 47.58 ? 81 VAL A N 1 +ATOM 665 C CA . VAL A 1 81 ? -35.283 1.972 35.674 1.00 47.41 ? 81 VAL A CA 1 +ATOM 666 C C . VAL A 1 81 ? -36.457 0.978 35.639 1.00 46.08 ? 81 VAL A C 1 +ATOM 667 O O . VAL A 1 81 ? -37.612 1.336 35.906 1.00 43.82 ? 81 VAL A O 1 +ATOM 668 C CB . VAL A 1 81 ? -34.866 2.369 34.215 1.00 48.87 ? 81 VAL A CB 1 +ATOM 669 C CG1 . VAL A 1 81 ? -36.088 2.667 33.359 1.00 48.28 ? 81 VAL A CG1 1 +ATOM 670 C CG2 . VAL A 1 81 ? -33.926 3.570 34.206 1.00 43.83 ? 81 VAL A CG2 1 +ATOM 671 N N . ALA A 1 82 ? -36.145 -0.276 35.333 1.00 44.52 ? 82 ALA A N 1 +ATOM 672 C CA . ALA A 1 82 ? -37.139 -1.339 35.366 1.00 46.62 ? 82 ALA A CA 1 +ATOM 673 C C . ALA A 1 82 ? -37.869 -1.319 36.704 1.00 47.66 ? 82 ALA A C 1 +ATOM 674 O O . ALA A 1 82 ? -39.099 -1.338 36.739 1.00 49.18 ? 82 ALA A O 1 +ATOM 675 C CB . ALA A 1 82 ? -36.491 -2.703 35.123 1.00 43.14 ? 82 ALA A CB 1 +ATOM 676 N N . ASP A 1 83 ? -37.113 -1.272 37.800 1.00 45.75 ? 83 ASP A N 1 +ATOM 677 C CA . ASP A 1 83 ? -37.716 -1.240 39.123 1.00 44.98 ? 83 ASP A CA 1 +ATOM 678 C C . ASP A 1 83 ? -38.666 -0.046 39.271 1.00 45.39 ? 83 ASP A C 1 +ATOM 679 O O . ASP A 1 83 ? -39.731 -0.158 39.885 1.00 45.15 ? 83 ASP A O 1 +ATOM 680 C CB . ASP A 1 83 ? -36.650 -1.210 40.218 1.00 44.60 ? 83 ASP A CB 1 +ATOM 681 C CG . ASP A 1 83 ? -35.887 -2.533 40.358 1.00 47.93 ? 83 ASP A CG 1 +ATOM 682 O OD1 . ASP A 1 83 ? -36.405 -3.605 39.984 1.00 43.87 ? 83 ASP A OD1 1 +ATOM 683 O OD2 . ASP A 1 83 ? -34.752 -2.500 40.875 1.00 55.21 ? 83 ASP A OD2 1 +ATOM 684 N N . LEU A 1 84 ? -38.303 1.097 38.701 1.00 44.43 ? 84 LEU A N 1 +ATOM 685 C CA . LEU A 1 84 ? -39.160 2.270 38.837 1.00 47.04 ? 84 LEU A CA 1 +ATOM 686 C C . LEU A 1 84 ? -40.447 2.138 38.016 1.00 49.60 ? 84 LEU A C 1 +ATOM 687 O O . LEU A 1 84 ? -41.511 2.574 38.454 1.00 50.67 ? 84 LEU A O 1 +ATOM 688 C CB . LEU A 1 84 ? -38.404 3.576 38.543 1.00 46.28 ? 84 LEU A CB 1 +ATOM 689 C CG . LEU A 1 84 ? -37.304 3.933 39.563 1.00 48.29 ? 84 LEU A CG 1 +ATOM 690 C CD1 . LEU A 1 84 ? -36.378 5.017 39.025 1.00 39.52 ? 84 LEU A CD1 1 +ATOM 691 C CD2 . LEU A 1 84 ? -37.869 4.324 40.944 1.00 47.18 ? 84 LEU A CD2 1 +ATOM 692 N N . PHE A 1 85 ? -40.360 1.521 36.839 1.00 50.45 ? 85 PHE A N 1 +ATOM 693 C CA . PHE A 1 85 ? -41.571 1.166 36.101 1.00 50.53 ? 85 PHE A CA 1 +ATOM 694 C C . PHE A 1 85 ? -42.525 0.362 36.988 1.00 48.78 ? 85 PHE A C 1 +ATOM 695 O O . PHE A 1 85 ? -43.705 0.662 37.060 1.00 49.22 ? 85 PHE A O 1 +ATOM 696 C CB . PHE A 1 85 ? -41.239 0.387 34.826 1.00 53.00 ? 85 PHE A CB 1 +ATOM 697 C CG . PHE A 1 85 ? -41.019 1.254 33.622 1.00 55.78 ? 85 PHE A CG 1 +ATOM 698 C CD1 . PHE A 1 85 ? -39.822 1.913 33.432 1.00 60.60 ? 85 PHE A CD1 1 +ATOM 699 C CD2 . PHE A 1 85 ? -42.010 1.399 32.671 1.00 69.22 ? 85 PHE A CD2 1 +ATOM 700 C CE1 . PHE A 1 85 ? -39.616 2.711 32.320 1.00 62.56 ? 85 PHE A CE1 1 +ATOM 701 C CE2 . PHE A 1 85 ? -41.808 2.192 31.551 1.00 71.79 ? 85 PHE A CE2 1 +ATOM 702 C CZ . PHE A 1 85 ? -40.607 2.849 31.381 1.00 65.69 ? 85 PHE A CZ 1 +ATOM 703 N N . MET A 1 86 ? -42.010 -0.648 37.678 1.00 47.99 ? 86 MET A N 1 +ATOM 704 C CA . MET A 1 86 ? -42.820 -1.389 38.631 1.00 49.91 ? 86 MET A CA 1 +ATOM 705 C C . MET A 1 86 ? -43.362 -0.496 39.753 1.00 52.74 ? 86 MET A C 1 +ATOM 706 O O . MET A 1 86 ? -44.445 -0.737 40.289 1.00 53.48 ? 86 MET A O 1 +ATOM 707 C CB . MET A 1 86 ? -42.028 -2.548 39.226 1.00 47.55 ? 86 MET A CB 1 +ATOM 708 C CG . MET A 1 86 ? -41.650 -3.602 38.213 1.00 47.93 ? 86 MET A CG 1 +ATOM 709 S SD . MET A 1 86 ? -40.694 -4.954 38.922 1.00 55.25 ? 86 MET A SD 1 +ATOM 710 C CE . MET A 1 86 ? -41.926 -5.714 39.973 1.00 56.93 ? 86 MET A CE 1 +ATOM 711 N N . VAL A 1 87 ? -42.609 0.536 40.106 1.00 54.14 ? 87 VAL A N 1 +ATOM 712 C CA . VAL A 1 87 ? -42.982 1.372 41.230 1.00 55.56 ? 87 VAL A CA 1 +ATOM 713 C C . VAL A 1 87 ? -44.156 2.287 40.880 1.00 56.78 ? 87 VAL A C 1 +ATOM 714 O O . VAL A 1 87 ? -45.120 2.387 41.646 1.00 59.07 ? 87 VAL A O 1 +ATOM 715 C CB . VAL A 1 87 ? -41.756 2.174 41.773 1.00 57.29 ? 87 VAL A CB 1 +ATOM 716 C CG1 . VAL A 1 87 ? -42.205 3.369 42.605 1.00 58.47 ? 87 VAL A CG1 1 +ATOM 717 C CG2 . VAL A 1 87 ? -40.824 1.264 42.592 1.00 52.03 ? 87 VAL A CG2 1 +ATOM 718 N N . PHE A 1 88 ? -44.081 2.938 39.721 1.00 56.88 ? 88 PHE A N 1 +ATOM 719 C CA . PHE A 1 88 ? -45.063 3.951 39.336 1.00 57.07 ? 88 PHE A CA 1 +ATOM 720 C C . PHE A 1 88 ? -46.188 3.400 38.472 1.00 59.03 ? 88 PHE A C 1 +ATOM 721 O O . PHE A 1 88 ? -47.291 3.933 38.473 1.00 63.65 ? 88 PHE A O 1 +ATOM 722 C CB . PHE A 1 88 ? -44.384 5.127 38.634 1.00 54.74 ? 88 PHE A CB 1 +ATOM 723 C CG . PHE A 1 88 ? -43.541 5.966 39.547 1.00 62.82 ? 88 PHE A CG 1 +ATOM 724 C CD1 . PHE A 1 88 ? -44.130 6.760 40.528 1.00 64.95 ? 88 PHE A CD1 1 +ATOM 725 C CD2 . PHE A 1 88 ? -42.151 5.963 39.436 1.00 68.20 ? 88 PHE A CD2 1 +ATOM 726 C CE1 . PHE A 1 88 ? -43.354 7.535 41.383 1.00 63.20 ? 88 PHE A CE1 1 +ATOM 727 C CE2 . PHE A 1 88 ? -41.364 6.740 40.288 1.00 63.17 ? 88 PHE A CE2 1 +ATOM 728 C CZ . PHE A 1 88 ? -41.969 7.527 41.260 1.00 64.24 ? 88 PHE A CZ 1 +ATOM 729 N N . GLY A 1 89 ? -45.911 2.343 37.722 1.00 59.66 ? 89 GLY A N 1 +ATOM 730 C CA . GLY A 1 89 ? -46.958 1.661 36.974 1.00 58.67 ? 89 GLY A CA 1 +ATOM 731 C C . GLY A 1 89 ? -47.752 0.710 37.858 1.00 59.68 ? 89 GLY A C 1 +ATOM 732 O O . GLY A 1 89 ? -48.983 0.692 37.813 1.00 60.82 ? 89 GLY A O 1 +ATOM 733 N N . GLY A 1 90 ? -47.051 -0.072 38.674 1.00 57.47 ? 90 GLY A N 1 +ATOM 734 C CA . GLY A 1 90 ? -47.689 -1.112 39.462 1.00 55.05 ? 90 GLY A CA 1 +ATOM 735 C C . GLY A 1 90 ? -48.051 -0.706 40.873 1.00 55.74 ? 90 GLY A C 1 +ATOM 736 O O . GLY A 1 90 ? -49.233 -0.649 41.222 1.00 58.85 ? 90 GLY A O 1 +ATOM 737 N N . PHE A 1 91 ? -47.030 -0.423 41.680 1.00 54.66 ? 91 PHE A N 1 +ATOM 738 C CA . PHE A 1 91 ? -47.187 -0.209 43.120 1.00 52.81 ? 91 PHE A CA 1 +ATOM 739 C C . PHE A 1 91 ? -48.119 0.955 43.496 1.00 53.27 ? 91 PHE A C 1 +ATOM 740 O O . PHE A 1 91 ? -48.975 0.798 44.367 1.00 51.34 ? 91 PHE A O 1 +ATOM 741 C CB . PHE A 1 91 ? -45.825 0.015 43.794 1.00 55.28 ? 91 PHE A CB 1 +ATOM 742 C CG . PHE A 1 91 ? -44.833 -1.105 43.606 1.00 56.51 ? 91 PHE A CG 1 +ATOM 743 C CD1 . PHE A 1 91 ? -45.194 -2.303 42.996 1.00 60.06 ? 91 PHE A CD1 1 +ATOM 744 C CD2 . PHE A 1 91 ? -43.532 -0.964 44.078 1.00 53.90 ? 91 PHE A CD2 1 +ATOM 745 C CE1 . PHE A 1 91 ? -44.270 -3.331 42.836 1.00 56.85 ? 91 PHE A CE1 1 +ATOM 746 C CE2 . PHE A 1 91 ? -42.604 -1.988 43.924 1.00 61.17 ? 91 PHE A CE2 1 +ATOM 747 C CZ . PHE A 1 91 ? -42.975 -3.175 43.304 1.00 61.40 ? 91 PHE A CZ 1 +ATOM 748 N N . THR A 1 92 ? -47.943 2.122 42.871 1.00 52.83 ? 92 THR A N 1 +ATOM 749 C CA . THR A 1 92 ? -48.756 3.298 43.226 1.00 55.65 ? 92 THR A CA 1 +ATOM 750 C C . THR A 1 92 ? -50.225 3.097 42.863 1.00 55.67 ? 92 THR A C 1 +ATOM 751 O O . THR A 1 92 ? -51.114 3.288 43.700 1.00 56.72 ? 92 THR A O 1 +ATOM 752 C CB . THR A 1 92 ? -48.245 4.624 42.588 1.00 55.58 ? 92 THR A CB 1 +ATOM 753 O OG1 . THR A 1 92 ? -48.082 4.457 41.176 1.00 55.95 ? 92 THR A OG1 1 +ATOM 754 C CG2 . THR A 1 92 ? -46.929 5.053 43.211 1.00 53.62 ? 92 THR A CG2 1 +ATOM 755 N N . THR A 1 93 ? -50.458 2.709 41.612 1.00 53.62 ? 93 THR A N 1 +ATOM 756 C CA . THR A 1 93 ? -51.774 2.330 41.126 1.00 50.55 ? 93 THR A CA 1 +ATOM 757 C C . THR A 1 93 ? -52.445 1.355 42.089 1.00 49.54 ? 93 THR A C 1 +ATOM 758 O O . THR A 1 93 ? -53.586 1.563 42.522 1.00 46.83 ? 93 THR A O 1 +ATOM 759 C CB . THR A 1 93 ? -51.659 1.665 39.745 1.00 51.31 ? 93 THR A CB 1 +ATOM 760 O OG1 . THR A 1 93 ? -50.863 2.487 38.883 1.00 45.21 ? 93 THR A OG1 1 +ATOM 761 C CG2 . THR A 1 93 ? -53.026 1.482 39.126 1.00 52.65 ? 93 THR A CG2 1 +ATOM 762 N N . THR A 1 94 ? -51.731 0.293 42.438 1.00 46.06 ? 94 THR A N 1 +ATOM 763 C CA . THR A 1 94 ? -52.304 -0.704 43.327 1.00 47.46 ? 94 THR A CA 1 +ATOM 764 C C . THR A 1 94 ? -52.603 -0.186 44.730 1.00 50.34 ? 94 THR A C 1 +ATOM 765 O O . THR A 1 94 ? -53.557 -0.636 45.362 1.00 55.04 ? 94 THR A O 1 +ATOM 766 C CB . THR A 1 94 ? -51.443 -1.973 43.414 1.00 48.70 ? 94 THR A CB 1 +ATOM 767 O OG1 . THR A 1 94 ? -51.271 -2.526 42.094 1.00 47.44 ? 94 THR A OG1 1 +ATOM 768 C CG2 . THR A 1 94 ? -52.106 -3.005 44.356 1.00 35.66 ? 94 THR A CG2 1 +ATOM 769 N N . LEU A 1 95 ? -51.801 0.758 45.218 1.00 51.81 ? 95 LEU A N 1 +ATOM 770 C CA . LEU A 1 95 ? -52.080 1.388 46.511 1.00 50.55 ? 95 LEU A CA 1 +ATOM 771 C C . LEU A 1 95 ? -53.413 2.117 46.427 1.00 50.09 ? 95 LEU A C 1 +ATOM 772 O O . LEU A 1 95 ? -54.268 2.012 47.312 1.00 48.96 ? 95 LEU A O 1 +ATOM 773 C CB . LEU A 1 95 ? -50.975 2.380 46.886 1.00 51.16 ? 95 LEU A CB 1 +ATOM 774 C CG . LEU A 1 95 ? -51.200 3.247 48.136 1.00 49.01 ? 95 LEU A CG 1 +ATOM 775 C CD1 . LEU A 1 95 ? -51.410 2.401 49.393 1.00 44.50 ? 95 LEU A CD1 1 +ATOM 776 C CD2 . LEU A 1 95 ? -50.039 4.186 48.318 1.00 41.16 ? 95 LEU A CD2 1 +ATOM 777 N N . TYR A 1 96 ? -53.573 2.850 45.335 1.00 48.69 ? 96 TYR A N 1 +ATOM 778 C CA . TYR A 1 96 ? -54.783 3.588 45.063 1.00 49.83 ? 96 TYR A CA 1 +ATOM 779 C C . TYR A 1 96 ? -56.020 2.682 44.963 1.00 52.58 ? 96 TYR A C 1 +ATOM 780 O O . TYR A 1 96 ? -57.008 2.875 45.689 1.00 53.89 ? 96 TYR A O 1 +ATOM 781 C CB . TYR A 1 96 ? -54.597 4.387 43.782 1.00 48.66 ? 96 TYR A CB 1 +ATOM 782 C CG . TYR A 1 96 ? -55.679 5.391 43.554 1.00 53.97 ? 96 TYR A CG 1 +ATOM 783 C CD1 . TYR A 1 96 ? -55.755 6.543 44.335 1.00 55.89 ? 96 TYR A CD1 1 +ATOM 784 C CD2 . TYR A 1 96 ? -56.638 5.192 42.565 1.00 58.57 ? 96 TYR A CD2 1 +ATOM 785 C CE1 . TYR A 1 96 ? -56.752 7.464 44.137 1.00 57.29 ? 96 TYR A CE1 1 +ATOM 786 C CE2 . TYR A 1 96 ? -57.635 6.118 42.351 1.00 61.94 ? 96 TYR A CE2 1 +ATOM 787 C CZ . TYR A 1 96 ? -57.687 7.250 43.143 1.00 60.64 ? 96 TYR A CZ 1 +ATOM 788 O OH . TYR A 1 96 ? -58.681 8.170 42.943 1.00 69.07 ? 96 TYR A OH 1 +ATOM 789 N N . THR A 1 97 ? -55.962 1.686 44.080 1.00 51.41 ? 97 THR A N 1 +ATOM 790 C CA . THR A 1 97 ? -57.097 0.781 43.890 1.00 48.49 ? 97 THR A CA 1 +ATOM 791 C C . THR A 1 97 ? -57.419 -0.049 45.135 1.00 45.87 ? 97 THR A C 1 +ATOM 792 O O . THR A 1 97 ? -58.576 -0.162 45.513 1.00 44.87 ? 97 THR A O 1 +ATOM 793 C CB . THR A 1 97 ? -56.915 -0.150 42.663 1.00 48.83 ? 97 THR A CB 1 +ATOM 794 O OG1 . THR A 1 97 ? -55.839 -1.065 42.902 1.00 52.88 ? 97 THR A OG1 1 +ATOM 795 C CG2 . THR A 1 97 ? -56.624 0.659 41.402 1.00 45.10 ? 97 THR A CG2 1 +ATOM 796 N N . SER A 1 98 ? -56.417 -0.633 45.780 1.00 45.31 ? 98 SER A N 1 +ATOM 797 C CA . SER A 1 98 ? -56.709 -1.470 46.956 1.00 49.86 ? 98 SER A CA 1 +ATOM 798 C C . SER A 1 98 ? -57.594 -0.760 47.991 1.00 48.99 ? 98 SER A C 1 +ATOM 799 O O . SER A 1 98 ? -58.414 -1.382 48.654 1.00 49.79 ? 98 SER A O 1 +ATOM 800 C CB . SER A 1 98 ? -55.429 -1.999 47.614 1.00 47.32 ? 98 SER A CB 1 +ATOM 801 O OG . SER A 1 98 ? -54.523 -0.943 47.865 1.00 56.90 ? 98 SER A OG 1 +ATOM 802 N N . LEU A 1 99 ? -57.418 0.549 48.106 1.00 50.96 ? 99 LEU A N 1 +ATOM 803 C CA . LEU A 1 99 ? -58.146 1.363 49.069 1.00 50.51 ? 99 LEU A CA 1 +ATOM 804 C C . LEU A 1 99 ? -59.579 1.675 48.621 1.00 51.28 ? 99 LEU A C 1 +ATOM 805 O O . LEU A 1 99 ? -60.418 2.074 49.426 1.00 48.88 ? 99 LEU A O 1 +ATOM 806 C CB . LEU A 1 99 ? -57.372 2.662 49.321 1.00 50.95 ? 99 LEU A CB 1 +ATOM 807 C CG . LEU A 1 99 ? -56.043 2.539 50.077 1.00 47.98 ? 99 LEU A CG 1 +ATOM 808 C CD1 . LEU A 1 99 ? -55.246 3.836 49.945 1.00 46.43 ? 99 LEU A CD1 1 +ATOM 809 C CD2 . LEU A 1 99 ? -56.264 2.154 51.554 1.00 26.61 ? 99 LEU A CD2 1 +ATOM 810 N N . HIS A 1 100 ? -59.834 1.522 47.324 1.00 53.81 ? 100 HIS A N 1 +ATOM 811 C CA . HIS A 1 100 ? -61.186 1.522 46.783 1.00 53.66 ? 100 HIS A CA 1 +ATOM 812 C C . HIS A 1 100 ? -61.802 0.118 46.874 1.00 54.18 ? 100 HIS A C 1 +ATOM 813 O O . HIS A 1 100 ? -63.024 -0.028 46.910 1.00 59.37 ? 100 HIS A O 1 +ATOM 814 C CB . HIS A 1 100 ? -61.188 1.980 45.327 1.00 52.88 ? 100 HIS A CB 1 +ATOM 815 C CG . HIS A 1 100 ? -60.941 3.449 45.141 1.00 58.84 ? 100 HIS A CG 1 +ATOM 816 N ND1 . HIS A 1 100 ? -59.676 3.992 45.079 1.00 64.86 ? 100 HIS A ND1 1 +ATOM 817 C CD2 . HIS A 1 100 ? -61.800 4.480 44.953 1.00 61.61 ? 100 HIS A CD2 1 +ATOM 818 C CE1 . HIS A 1 100 ? -59.767 5.296 44.879 1.00 65.55 ? 100 HIS A CE1 1 +ATOM 819 N NE2 . HIS A 1 100 ? -61.045 5.618 44.801 1.00 55.96 ? 100 HIS A NE2 1 +ATOM 820 N N . GLY A 1 101 ? -60.968 -0.917 46.913 1.00 50.76 ? 101 GLY A N 1 +ATOM 821 C CA . GLY A 1 101 ? -61.478 -2.283 46.994 1.00 48.67 ? 101 GLY A CA 1 +ATOM 822 C C . GLY A 1 101 ? -61.722 -2.913 45.634 1.00 50.42 ? 101 GLY A C 1 +ATOM 823 O O . GLY A 1 101 ? -62.286 -3.999 45.535 1.00 51.17 ? 101 GLY A O 1 +ATOM 824 N N . TYR A 1 102 ? -61.298 -2.230 44.575 1.00 50.27 ? 102 TYR A N 1 +ATOM 825 C CA . TYR A 1 102 ? -61.377 -2.781 43.230 1.00 48.21 ? 102 TYR A CA 1 +ATOM 826 C C . TYR A 1 102 ? -60.646 -1.913 42.227 1.00 48.32 ? 102 TYR A C 1 +ATOM 827 O O . TYR A 1 102 ? -60.200 -0.811 42.540 1.00 48.47 ? 102 TYR A O 1 +ATOM 828 C CB . TYR A 1 102 ? -62.826 -2.956 42.794 1.00 48.95 ? 102 TYR A CB 1 +ATOM 829 C CG . TYR A 1 102 ? -63.555 -1.654 42.589 1.00 51.71 ? 102 TYR A CG 1 +ATOM 830 C CD1 . TYR A 1 102 ? -63.806 -1.168 41.302 1.00 47.99 ? 102 TYR A CD1 1 +ATOM 831 C CD2 . TYR A 1 102 ? -63.994 -0.897 43.684 1.00 48.88 ? 102 TYR A CD2 1 +ATOM 832 C CE1 . TYR A 1 102 ? -64.481 0.045 41.109 1.00 41.15 ? 102 TYR A CE1 1 +ATOM 833 C CE2 . TYR A 1 102 ? -64.673 0.303 43.503 1.00 44.91 ? 102 TYR A CE2 1 +ATOM 834 C CZ . TYR A 1 102 ? -64.908 0.768 42.214 1.00 43.61 ? 102 TYR A CZ 1 +ATOM 835 O OH . TYR A 1 102 ? -65.575 1.955 42.042 1.00 44.46 ? 102 TYR A OH 1 +ATOM 836 N N . PHE A 1 103 ? -60.543 -2.412 41.005 1.00 49.33 ? 103 PHE A N 1 +ATOM 837 C CA . PHE A 1 103 ? -59.729 -1.761 40.007 1.00 49.91 ? 103 PHE A CA 1 +ATOM 838 C C . PHE A 1 103 ? -60.481 -0.612 39.354 1.00 50.56 ? 103 PHE A C 1 +ATOM 839 O O . PHE A 1 103 ? -60.997 -0.737 38.238 1.00 51.12 ? 103 PHE A O 1 +ATOM 840 C CB . PHE A 1 103 ? -59.198 -2.758 38.970 1.00 49.57 ? 103 PHE A CB 1 +ATOM 841 C CG . PHE A 1 103 ? -58.066 -2.216 38.174 1.00 51.43 ? 103 PHE A CG 1 +ATOM 842 C CD1 . PHE A 1 103 ? -56.758 -2.406 38.598 1.00 49.71 ? 103 PHE A CD1 1 +ATOM 843 C CD2 . PHE A 1 103 ? -58.303 -1.454 37.034 1.00 48.34 ? 103 PHE A CD2 1 +ATOM 844 C CE1 . PHE A 1 103 ? -55.703 -1.872 37.882 1.00 52.40 ? 103 PHE A CE1 1 +ATOM 845 C CE2 . PHE A 1 103 ? -57.250 -0.920 36.314 1.00 51.34 ? 103 PHE A CE2 1 +ATOM 846 C CZ . PHE A 1 103 ? -55.948 -1.128 36.735 1.00 46.22 ? 103 PHE A CZ 1 +ATOM 847 N N . VAL A 1 104 ? -60.509 0.516 40.061 1.00 51.44 ? 104 VAL A N 1 +ATOM 848 C CA . VAL A 1 104 ? -61.314 1.674 39.671 1.00 51.14 ? 104 VAL A CA 1 +ATOM 849 C C . VAL A 1 104 ? -60.957 2.304 38.339 1.00 51.30 ? 104 VAL A C 1 +ATOM 850 O O . VAL A 1 104 ? -61.622 3.233 37.925 1.00 54.25 ? 104 VAL A O 1 +ATOM 851 C CB . VAL A 1 104 ? -61.251 2.806 40.717 1.00 50.13 ? 104 VAL A CB 1 +ATOM 852 C CG1 . VAL A 1 104 ? -61.826 2.356 42.042 1.00 47.56 ? 104 VAL A CG1 1 +ATOM 853 C CG2 . VAL A 1 104 ? -59.822 3.310 40.872 1.00 51.61 ? 104 VAL A CG2 1 +ATOM 854 N N . PHE A 1 105 ? -59.917 1.840 37.664 1.00 53.00 ? 105 PHE A N 1 +ATOM 855 C CA . PHE A 1 105 ? -59.527 2.534 36.433 1.00 56.81 ? 105 PHE A CA 1 +ATOM 856 C C . PHE A 1 105 ? -60.117 1.921 35.178 1.00 57.78 ? 105 PHE A C 1 +ATOM 857 O O . PHE A 1 105 ? -59.906 2.425 34.082 1.00 58.51 ? 105 PHE A O 1 +ATOM 858 C CB . PHE A 1 105 ? -58.002 2.698 36.306 1.00 57.27 ? 105 PHE A CB 1 +ATOM 859 C CG . PHE A 1 105 ? -57.406 3.650 37.311 1.00 54.12 ? 105 PHE A CG 1 +ATOM 860 C CD1 . PHE A 1 105 ? -57.796 4.990 37.338 1.00 48.60 ? 105 PHE A CD1 1 +ATOM 861 C CD2 . PHE A 1 105 ? -56.454 3.206 38.226 1.00 48.94 ? 105 PHE A CD2 1 +ATOM 862 C CE1 . PHE A 1 105 ? -57.248 5.874 38.264 1.00 51.71 ? 105 PHE A CE1 1 +ATOM 863 C CE2 . PHE A 1 105 ? -55.899 4.081 39.163 1.00 53.33 ? 105 PHE A CE2 1 +ATOM 864 C CZ . PHE A 1 105 ? -56.296 5.419 39.184 1.00 48.61 ? 105 PHE A CZ 1 +ATOM 865 N N . GLY A 1 106 ? -60.851 0.827 35.340 1.00 60.71 ? 106 GLY A N 1 +ATOM 866 C CA . GLY A 1 106 ? -61.531 0.206 34.210 1.00 62.86 ? 106 GLY A CA 1 +ATOM 867 C C . GLY A 1 106 ? -60.616 -0.626 33.340 1.00 65.88 ? 106 GLY A C 1 +ATOM 868 O O . GLY A 1 106 ? -59.414 -0.699 33.590 1.00 67.47 ? 106 GLY A O 1 +ATOM 869 N N . PRO A 1 107 ? -61.187 -1.268 32.306 1.00 68.37 ? 107 PRO A N 1 +ATOM 870 C CA . PRO A 1 107 ? -60.468 -2.164 31.397 1.00 66.19 ? 107 PRO A CA 1 +ATOM 871 C C . PRO A 1 107 ? -59.259 -1.538 30.714 1.00 64.68 ? 107 PRO A C 1 +ATOM 872 O O . PRO A 1 107 ? -58.236 -2.198 30.590 1.00 65.05 ? 107 PRO A O 1 +ATOM 873 C CB . PRO A 1 107 ? -61.532 -2.531 30.360 1.00 65.75 ? 107 PRO A CB 1 +ATOM 874 C CG . PRO A 1 107 ? -62.797 -2.455 31.115 1.00 68.06 ? 107 PRO A CG 1 +ATOM 875 C CD . PRO A 1 107 ? -62.635 -1.273 32.033 1.00 67.58 ? 107 PRO A CD 1 +ATOM 876 N N . THR A 1 108 ? -59.356 -0.293 30.261 1.00 65.60 ? 108 THR A N 1 +ATOM 877 C CA . THR A 1 108 ? -58.200 0.305 29.583 1.00 67.71 ? 108 THR A CA 1 +ATOM 878 C C . THR A 1 108 ? -57.090 0.590 30.598 1.00 65.70 ? 108 THR A C 1 +ATOM 879 O O . THR A 1 108 ? -55.919 0.274 30.353 1.00 64.63 ? 108 THR A O 1 +ATOM 880 C CB . THR A 1 108 ? -58.546 1.567 28.741 1.00 67.74 ? 108 THR A CB 1 +ATOM 881 O OG1 . THR A 1 108 ? -59.104 2.569 29.593 1.00 75.75 ? 108 THR A OG1 1 +ATOM 882 C CG2 . THR A 1 108 ? -59.537 1.226 27.617 1.00 62.71 ? 108 THR A CG2 1 +ATOM 883 N N . GLY A 1 109 ? -57.473 1.160 31.741 1.00 62.07 ? 109 GLY A N 1 +ATOM 884 C CA . GLY A 1 109 ? -56.551 1.345 32.856 1.00 58.68 ? 109 GLY A CA 1 +ATOM 885 C C . GLY A 1 109 ? -55.891 0.030 33.215 1.00 57.44 ? 109 GLY A C 1 +ATOM 886 O O . GLY A 1 109 ? -54.683 -0.036 33.456 1.00 59.79 ? 109 GLY A O 1 +ATOM 887 N N . CYS A 1 110 ? -56.695 -1.024 33.238 1.00 54.90 ? 110 CYS A N 1 +ATOM 888 C CA . CYS A 1 110 ? -56.203 -2.364 33.462 1.00 55.18 ? 110 CYS A CA 1 +ATOM 889 C C . CYS A 1 110 ? -55.129 -2.735 32.441 1.00 57.36 ? 110 CYS A C 1 +ATOM 890 O O . CYS A 1 110 ? -54.134 -3.365 32.790 1.00 60.33 ? 110 CYS A O 1 +ATOM 891 C CB . CYS A 1 110 ? -57.359 -3.354 33.393 1.00 53.02 ? 110 CYS A CB 1 +ATOM 892 S SG . CYS A 1 110 ? -56.907 -5.043 33.789 1.00 59.76 ? 110 CYS A SG 1 +ATOM 893 N N . ASN A 1 111 ? -55.329 -2.347 31.184 1.00 57.34 ? 111 ASN A N 1 +ATOM 894 C CA . ASN A 1 111 ? -54.350 -2.644 30.141 1.00 57.26 ? 111 ASN A CA 1 +ATOM 895 C C . ASN A 1 111 ? -53.054 -1.849 30.307 1.00 57.14 ? 111 ASN A C 1 +ATOM 896 O O . ASN A 1 111 ? -51.963 -2.391 30.128 1.00 57.98 ? 111 ASN A O 1 +ATOM 897 C CB . ASN A 1 111 ? -54.943 -2.430 28.741 1.00 57.79 ? 111 ASN A CB 1 +ATOM 898 C CG . ASN A 1 111 ? -55.820 -3.585 28.297 1.00 55.49 ? 111 ASN A CG 1 +ATOM 899 O OD1 . ASN A 1 111 ? -55.339 -4.673 27.980 1.00 52.80 ? 111 ASN A OD1 1 +ATOM 900 N ND2 . ASN A 1 111 ? -57.117 -3.353 28.274 1.00 67.84 ? 111 ASN A ND2 1 +ATOM 901 N N . LEU A 1 112 ? -53.182 -0.565 30.631 1.00 56.30 ? 112 LEU A N 1 +ATOM 902 C CA . LEU A 1 112 ? -52.036 0.282 30.959 1.00 55.54 ? 112 LEU A CA 1 +ATOM 903 C C . LEU A 1 112 ? -51.248 -0.236 32.172 1.00 55.38 ? 112 LEU A C 1 +ATOM 904 O O . LEU A 1 112 ? -50.053 -0.551 32.070 1.00 53.94 ? 112 LEU A O 1 +ATOM 905 C CB . LEU A 1 112 ? -52.504 1.707 31.240 1.00 56.89 ? 112 LEU A CB 1 +ATOM 906 C CG . LEU A 1 112 ? -52.917 2.536 30.029 1.00 58.54 ? 112 LEU A CG 1 +ATOM 907 C CD1 . LEU A 1 112 ? -53.654 3.788 30.493 1.00 50.53 ? 112 LEU A CD1 1 +ATOM 908 C CD2 . LEU A 1 112 ? -51.693 2.887 29.183 1.00 56.89 ? 112 LEU A CD2 1 +ATOM 909 N N . GLU A 1 113 ? -51.912 -0.326 33.321 1.00 51.76 ? 113 GLU A N 1 +ATOM 910 C CA . GLU A 1 113 ? -51.231 -0.778 34.521 1.00 52.04 ? 113 GLU A CA 1 +ATOM 911 C C . GLU A 1 113 ? -50.575 -2.148 34.328 1.00 53.26 ? 113 GLU A C 1 +ATOM 912 O O . GLU A 1 113 ? -49.449 -2.363 34.754 1.00 56.11 ? 113 GLU A O 1 +ATOM 913 C CB . GLU A 1 113 ? -52.180 -0.783 35.715 1.00 51.59 ? 113 GLU A CB 1 +ATOM 914 C CG . GLU A 1 113 ? -51.496 -1.006 37.051 1.00 51.35 ? 113 GLU A CG 1 +ATOM 915 C CD . GLU A 1 113 ? -51.322 -2.474 37.385 1.00 55.80 ? 113 GLU A CD 1 +ATOM 916 O OE1 . GLU A 1 113 ? -52.175 -3.282 36.974 1.00 56.54 ? 113 GLU A OE1 1 +ATOM 917 O OE2 . GLU A 1 113 ? -50.339 -2.827 38.068 1.00 61.61 ? 113 GLU A OE2 1 +ATOM 918 N N . GLY A 1 114 ? -51.274 -3.073 33.684 1.00 52.44 ? 114 GLY A N 1 +ATOM 919 C CA . GLY A 1 114 ? -50.723 -4.398 33.451 1.00 51.49 ? 114 GLY A CA 1 +ATOM 920 C C . GLY A 1 114 ? -49.538 -4.345 32.505 1.00 53.97 ? 114 GLY A C 1 +ATOM 921 O O . GLY A 1 114 ? -48.583 -5.113 32.637 1.00 54.92 ? 114 GLY A O 1 +ATOM 922 N N . PHE A 1 115 ? -49.586 -3.434 31.545 1.00 53.71 ? 115 PHE A N 1 +ATOM 923 C CA . PHE A 1 115 ? -48.512 -3.350 30.569 1.00 54.83 ? 115 PHE A CA 1 +ATOM 924 C C . PHE A 1 115 ? -47.234 -2.815 31.223 1.00 54.64 ? 115 PHE A C 1 +ATOM 925 O O . PHE A 1 115 ? -46.151 -3.395 31.074 1.00 53.14 ? 115 PHE A O 1 +ATOM 926 C CB . PHE A 1 115 ? -48.915 -2.500 29.349 1.00 53.66 ? 115 PHE A CB 1 +ATOM 927 C CG . PHE A 1 115 ? -47.774 -2.217 28.405 1.00 52.94 ? 115 PHE A CG 1 +ATOM 928 C CD1 . PHE A 1 115 ? -47.385 -3.161 27.458 1.00 56.45 ? 115 PHE A CD1 1 +ATOM 929 C CD2 . PHE A 1 115 ? -47.073 -1.019 28.482 1.00 52.11 ? 115 PHE A CD2 1 +ATOM 930 C CE1 . PHE A 1 115 ? -46.323 -2.911 26.595 1.00 58.52 ? 115 PHE A CE1 1 +ATOM 931 C CE2 . PHE A 1 115 ? -46.009 -0.756 27.622 1.00 55.19 ? 115 PHE A CE2 1 +ATOM 932 C CZ . PHE A 1 115 ? -45.634 -1.705 26.675 1.00 56.18 ? 115 PHE A CZ 1 +ATOM 933 N N . PHE A 1 116 ? -47.359 -1.706 31.944 1.00 55.13 ? 116 PHE A N 1 +ATOM 934 C CA . PHE A 1 116 ? -46.181 -1.084 32.547 1.00 53.75 ? 116 PHE A CA 1 +ATOM 935 C C . PHE A 1 116 ? -45.601 -1.916 33.703 1.00 53.16 ? 116 PHE A C 1 +ATOM 936 O O . PHE A 1 116 ? -44.383 -2.041 33.830 1.00 52.89 ? 116 PHE A O 1 +ATOM 937 C CB . PHE A 1 116 ? -46.440 0.383 32.912 1.00 49.31 ? 116 PHE A CB 1 +ATOM 938 C CG . PHE A 1 116 ? -46.465 1.295 31.716 1.00 52.27 ? 116 PHE A CG 1 +ATOM 939 C CD1 . PHE A 1 116 ? -45.312 1.519 30.969 1.00 60.53 ? 116 PHE A CD1 1 +ATOM 940 C CD2 . PHE A 1 116 ? -47.640 1.915 31.311 1.00 61.06 ? 116 PHE A CD2 1 +ATOM 941 C CE1 . PHE A 1 116 ? -45.326 2.359 29.830 1.00 56.57 ? 116 PHE A CE1 1 +ATOM 942 C CE2 . PHE A 1 116 ? -47.660 2.757 30.177 1.00 58.88 ? 116 PHE A CE2 1 +ATOM 943 C CZ . PHE A 1 116 ? -46.497 2.973 29.439 1.00 49.02 ? 116 PHE A CZ 1 +ATOM 944 N N . ALA A 1 117 ? -46.461 -2.533 34.505 1.00 51.58 ? 117 ALA A N 1 +ATOM 945 C CA . ALA A 1 117 ? -45.972 -3.413 35.556 1.00 52.68 ? 117 ALA A CA 1 +ATOM 946 C C . ALA A 1 117 ? -45.231 -4.602 34.943 1.00 53.65 ? 117 ALA A C 1 +ATOM 947 O O . ALA A 1 117 ? -44.139 -4.963 35.373 1.00 55.00 ? 117 ALA A O 1 +ATOM 948 C CB . ALA A 1 117 ? -47.105 -3.883 36.439 1.00 52.71 ? 117 ALA A CB 1 +ATOM 949 N N . THR A 1 118 ? -45.824 -5.209 33.927 1.00 55.44 ? 118 THR A N 1 +ATOM 950 C CA . THR A 1 118 ? -45.186 -6.336 33.262 1.00 53.50 ? 118 THR A CA 1 +ATOM 951 C C . THR A 1 118 ? -43.890 -5.897 32.578 1.00 53.87 ? 118 THR A C 1 +ATOM 952 O O . THR A 1 118 ? -42.850 -6.523 32.770 1.00 54.28 ? 118 THR A O 1 +ATOM 953 C CB . THR A 1 118 ? -46.138 -7.001 32.253 1.00 53.36 ? 118 THR A CB 1 +ATOM 954 O OG1 . THR A 1 118 ? -47.354 -7.357 32.925 1.00 47.22 ? 118 THR A OG1 1 +ATOM 955 C CG2 . THR A 1 118 ? -45.499 -8.252 31.632 1.00 47.45 ? 118 THR A CG2 1 +ATOM 956 N N . LEU A 1 119 ? -43.942 -4.817 31.801 1.00 51.83 ? 119 LEU A N 1 +ATOM 957 C CA . LEU A 1 119 ? -42.741 -4.339 31.137 1.00 51.92 ? 119 LEU A CA 1 +ATOM 958 C C . LEU A 1 119 ? -41.617 -4.230 32.165 1.00 52.84 ? 119 LEU A C 1 +ATOM 959 O O . LEU A 1 119 ? -40.553 -4.843 32.002 1.00 53.23 ? 119 LEU A O 1 +ATOM 960 C CB . LEU A 1 119 ? -42.989 -3.002 30.433 1.00 52.45 ? 119 LEU A CB 1 +ATOM 961 C CG . LEU A 1 119 ? -41.941 -2.522 29.409 1.00 51.34 ? 119 LEU A CG 1 +ATOM 962 C CD1 . LEU A 1 119 ? -41.786 -3.463 28.225 1.00 46.68 ? 119 LEU A CD1 1 +ATOM 963 C CD2 . LEU A 1 119 ? -42.272 -1.124 28.913 1.00 47.81 ? 119 LEU A CD2 1 +ATOM 964 N N . GLY A 1 120 ? -41.885 -3.487 33.242 1.00 52.94 ? 120 GLY A N 1 +ATOM 965 C CA . GLY A 1 120 ? -40.947 -3.316 34.361 1.00 47.11 ? 120 GLY A CA 1 +ATOM 966 C C . GLY A 1 120 ? -40.355 -4.620 34.852 1.00 44.77 ? 120 GLY A C 1 +ATOM 967 O O . GLY A 1 120 ? -39.155 -4.843 34.762 1.00 46.36 ? 120 GLY A O 1 +ATOM 968 N N . GLY A 1 121 ? -41.201 -5.499 35.356 1.00 44.42 ? 121 GLY A N 1 +ATOM 969 C CA . GLY A 1 121 ? -40.730 -6.776 35.874 1.00 49.09 ? 121 GLY A CA 1 +ATOM 970 C C . GLY A 1 121 ? -39.947 -7.589 34.865 1.00 51.74 ? 121 GLY A C 1 +ATOM 971 O O . GLY A 1 121 ? -39.074 -8.362 35.239 1.00 53.72 ? 121 GLY A O 1 +ATOM 972 N N . GLU A 1 122 ? -40.264 -7.414 33.582 1.00 54.16 ? 122 GLU A N 1 +ATOM 973 C CA . GLU A 1 122 ? -39.621 -8.178 32.516 1.00 53.09 ? 122 GLU A CA 1 +ATOM 974 C C . GLU A 1 122 ? -38.265 -7.600 32.127 1.00 51.79 ? 122 GLU A C 1 +ATOM 975 O O . GLU A 1 122 ? -37.314 -8.351 31.914 1.00 50.11 ? 122 GLU A O 1 +ATOM 976 C CB . GLU A 1 122 ? -40.541 -8.299 31.291 1.00 55.03 ? 122 GLU A CB 1 +ATOM 977 C CG . GLU A 1 122 ? -41.600 -9.391 31.428 1.00 54.69 ? 122 GLU A CG 1 +ATOM 978 C CD . GLU A 1 122 ? -41.052 -10.789 31.170 1.00 63.83 ? 122 GLU A CD 1 +ATOM 979 O OE1 . GLU A 1 122 ? -40.469 -10.993 30.086 1.00 68.62 ? 122 GLU A OE1 1 +ATOM 980 O OE2 . GLU A 1 122 ? -41.211 -11.684 32.037 1.00 60.61 ? 122 GLU A OE2 1 +ATOM 981 N N . ILE A 1 123 ? -38.175 -6.274 32.034 1.00 49.60 ? 123 ILE A N 1 +ATOM 982 C CA . ILE A 1 123 ? -36.892 -5.618 31.779 1.00 49.32 ? 123 ILE A CA 1 +ATOM 983 C C . ILE A 1 123 ? -35.909 -5.965 32.891 1.00 52.12 ? 123 ILE A C 1 +ATOM 984 O O . ILE A 1 123 ? -34.736 -6.236 32.625 1.00 54.92 ? 123 ILE A O 1 +ATOM 985 C CB . ILE A 1 123 ? -37.029 -4.092 31.674 1.00 48.16 ? 123 ILE A CB 1 +ATOM 986 C CG1 . ILE A 1 123 ? -37.960 -3.718 30.519 1.00 51.42 ? 123 ILE A CG1 1 +ATOM 987 C CG2 . ILE A 1 123 ? -35.677 -3.453 31.459 1.00 48.10 ? 123 ILE A CG2 1 +ATOM 988 C CD1 . ILE A 1 123 ? -38.196 -2.238 30.364 1.00 47.93 ? 123 ILE A CD1 1 +ATOM 989 N N . ALA A 1 124 ? -36.395 -5.969 34.133 1.00 53.16 ? 124 ALA A N 1 +ATOM 990 C CA . ALA A 1 124 ? -35.595 -6.391 35.276 1.00 53.48 ? 124 ALA A CA 1 +ATOM 991 C C . ALA A 1 124 ? -35.124 -7.818 35.059 1.00 55.24 ? 124 ALA A C 1 +ATOM 992 O O . ALA A 1 124 ? -33.930 -8.085 35.075 1.00 59.60 ? 124 ALA A O 1 +ATOM 993 C CB . ALA A 1 124 ? -36.385 -6.278 36.571 1.00 50.27 ? 124 ALA A CB 1 +ATOM 994 N N . LEU A 1 125 ? -36.068 -8.727 34.843 1.00 56.90 ? 125 LEU A N 1 +ATOM 995 C CA . LEU A 1 125 ? -35.760 -10.130 34.567 1.00 58.10 ? 125 LEU A CA 1 +ATOM 996 C C . LEU A 1 125 ? -34.657 -10.292 33.503 1.00 57.99 ? 125 LEU A C 1 +ATOM 997 O O . LEU A 1 125 ? -33.646 -10.945 33.743 1.00 56.77 ? 125 LEU A O 1 +ATOM 998 C CB . LEU A 1 125 ? -37.046 -10.881 34.169 1.00 58.88 ? 125 LEU A CB 1 +ATOM 999 C CG . LEU A 1 125 ? -37.052 -12.242 33.457 1.00 59.73 ? 125 LEU A CG 1 +ATOM 1000 C CD1 . LEU A 1 125 ? -35.970 -13.166 33.962 1.00 62.65 ? 125 LEU A CD1 1 +ATOM 1001 C CD2 . LEU A 1 125 ? -38.416 -12.907 33.619 1.00 64.11 ? 125 LEU A CD2 1 +ATOM 1002 N N . TRP A 1 126 ? -34.838 -9.686 32.337 1.00 58.49 ? 126 TRP A N 1 +ATOM 1003 C CA . TRP A 1 126 ? -33.861 -9.865 31.274 1.00 60.63 ? 126 TRP A CA 1 +ATOM 1004 C C . TRP A 1 126 ? -32.538 -9.153 31.554 1.00 60.42 ? 126 TRP A C 1 +ATOM 1005 O O . TRP A 1 126 ? -31.481 -9.565 31.046 1.00 62.13 ? 126 TRP A O 1 +ATOM 1006 C CB . TRP A 1 126 ? -34.441 -9.506 29.904 1.00 60.86 ? 126 TRP A CB 1 +ATOM 1007 C CG . TRP A 1 126 ? -35.295 -10.617 29.362 1.00 67.91 ? 126 TRP A CG 1 +ATOM 1008 C CD1 . TRP A 1 126 ? -36.660 -10.644 29.285 1.00 70.18 ? 126 TRP A CD1 1 +ATOM 1009 C CD2 . TRP A 1 126 ? -34.842 -11.878 28.852 1.00 69.26 ? 126 TRP A CD2 1 +ATOM 1010 N NE1 . TRP A 1 126 ? -37.080 -11.834 28.749 1.00 66.74 ? 126 TRP A NE1 1 +ATOM 1011 C CE2 . TRP A 1 126 ? -35.985 -12.610 28.474 1.00 69.06 ? 126 TRP A CE2 1 +ATOM 1012 C CE3 . TRP A 1 126 ? -33.581 -12.457 28.675 1.00 69.94 ? 126 TRP A CE3 1 +ATOM 1013 C CZ2 . TRP A 1 126 ? -35.905 -13.892 27.929 1.00 68.77 ? 126 TRP A CZ2 1 +ATOM 1014 C CZ3 . TRP A 1 126 ? -33.504 -13.732 28.134 1.00 67.11 ? 126 TRP A CZ3 1 +ATOM 1015 C CH2 . TRP A 1 126 ? -34.658 -14.434 27.769 1.00 68.68 ? 126 TRP A CH2 1 +ATOM 1016 N N . SER A 1 127 ? -32.593 -8.100 32.367 1.00 56.17 ? 127 SER A N 1 +ATOM 1017 C CA . SER A 1 127 ? -31.373 -7.450 32.822 1.00 52.51 ? 127 SER A CA 1 +ATOM 1018 C C . SER A 1 127 ? -30.548 -8.459 33.606 1.00 52.53 ? 127 SER A C 1 +ATOM 1019 O O . SER A 1 127 ? -29.409 -8.731 33.256 1.00 54.97 ? 127 SER A O 1 +ATOM 1020 C CB . SER A 1 127 ? -31.688 -6.229 33.673 1.00 50.82 ? 127 SER A CB 1 +ATOM 1021 O OG . SER A 1 127 ? -32.174 -5.177 32.863 1.00 46.94 ? 127 SER A OG 1 +ATOM 1022 N N . LEU A 1 128 ? -31.133 -9.034 34.649 1.00 50.16 ? 128 LEU A N 1 +ATOM 1023 C CA . LEU A 1 128 ? -30.448 -10.047 35.433 1.00 51.83 ? 128 LEU A CA 1 +ATOM 1024 C C . LEU A 1 128 ? -29.824 -11.132 34.551 1.00 53.53 ? 128 LEU A C 1 +ATOM 1025 O O . LEU A 1 128 ? -28.785 -11.697 34.893 1.00 55.30 ? 128 LEU A O 1 +ATOM 1026 C CB . LEU A 1 128 ? -31.395 -10.681 36.456 1.00 52.19 ? 128 LEU A CB 1 +ATOM 1027 C CG . LEU A 1 128 ? -31.894 -9.799 37.597 1.00 48.52 ? 128 LEU A CG 1 +ATOM 1028 C CD1 . LEU A 1 128 ? -32.274 -10.687 38.758 1.00 48.92 ? 128 LEU A CD1 1 +ATOM 1029 C CD2 . LEU A 1 128 ? -30.822 -8.813 38.015 1.00 52.05 ? 128 LEU A CD2 1 +ATOM 1030 N N . VAL A 1 129 ? -30.459 -11.427 33.423 1.00 53.07 ? 129 VAL A N 1 +ATOM 1031 C CA . VAL A 1 129 ? -29.890 -12.374 32.460 1.00 51.73 ? 129 VAL A CA 1 +ATOM 1032 C C . VAL A 1 129 ? -28.702 -11.753 31.711 1.00 51.12 ? 129 VAL A C 1 +ATOM 1033 O O . VAL A 1 129 ? -27.590 -12.304 31.734 1.00 48.97 ? 129 VAL A O 1 +ATOM 1034 C CB . VAL A 1 129 ? -30.955 -12.903 31.445 1.00 51.43 ? 129 VAL A CB 1 +ATOM 1035 C CG1 . VAL A 1 129 ? -30.289 -13.542 30.247 1.00 44.09 ? 129 VAL A CG1 1 +ATOM 1036 C CG2 . VAL A 1 129 ? -31.887 -13.891 32.113 1.00 45.77 ? 129 VAL A CG2 1 +ATOM 1037 N N . VAL A 1 130 ? -28.940 -10.618 31.048 1.00 47.37 ? 130 VAL A N 1 +ATOM 1038 C CA . VAL A 1 130 ? -27.893 -9.945 30.284 1.00 47.35 ? 130 VAL A CA 1 +ATOM 1039 C C . VAL A 1 130 ? -26.627 -9.762 31.130 1.00 50.71 ? 130 VAL A C 1 +ATOM 1040 O O . VAL A 1 130 ? -25.517 -10.032 30.662 1.00 53.71 ? 130 VAL A O 1 +ATOM 1041 C CB . VAL A 1 130 ? -28.390 -8.603 29.709 1.00 48.06 ? 130 VAL A CB 1 +ATOM 1042 C CG1 . VAL A 1 130 ? -27.241 -7.748 29.204 1.00 40.50 ? 130 VAL A CG1 1 +ATOM 1043 C CG2 . VAL A 1 130 ? -29.399 -8.855 28.595 1.00 50.02 ? 130 VAL A CG2 1 +ATOM 1044 N N . LEU A 1 131 ? -26.813 -9.342 32.382 1.00 51.57 ? 131 LEU A N 1 +ATOM 1045 C CA . LEU A 1 131 ? -25.730 -9.175 33.359 1.00 49.20 ? 131 LEU A CA 1 +ATOM 1046 C C . LEU A 1 131 ? -24.905 -10.448 33.577 1.00 48.42 ? 131 LEU A C 1 +ATOM 1047 O O . LEU A 1 131 ? -23.679 -10.397 33.640 1.00 49.73 ? 131 LEU A O 1 +ATOM 1048 C CB . LEU A 1 131 ? -26.294 -8.683 34.701 1.00 49.76 ? 131 LEU A CB 1 +ATOM 1049 C CG . LEU A 1 131 ? -25.290 -8.262 35.786 1.00 52.55 ? 131 LEU A CG 1 +ATOM 1050 C CD1 . LEU A 1 131 ? -24.441 -7.082 35.325 1.00 56.56 ? 131 LEU A CD1 1 +ATOM 1051 C CD2 . LEU A 1 131 ? -25.987 -7.927 37.095 1.00 56.07 ? 131 LEU A CD2 1 +ATOM 1052 N N . ALA A 1 132 ? -25.564 -11.590 33.712 1.00 48.60 ? 132 ALA A N 1 +ATOM 1053 C CA . ALA A 1 132 ? -24.829 -12.844 33.802 1.00 50.55 ? 132 ALA A CA 1 +ATOM 1054 C C . ALA A 1 132 ? -24.060 -13.102 32.494 1.00 54.85 ? 132 ALA A C 1 +ATOM 1055 O O . ALA A 1 132 ? -22.910 -13.527 32.531 1.00 57.26 ? 132 ALA A O 1 +ATOM 1056 C CB . ALA A 1 132 ? -25.756 -14.003 34.127 1.00 47.08 ? 132 ALA A CB 1 +ATOM 1057 N N . ILE A 1 133 ? -24.682 -12.846 31.344 1.00 54.59 ? 133 ILE A N 1 +ATOM 1058 C CA . ILE A 1 133 ? -23.979 -13.030 30.086 1.00 56.20 ? 133 ILE A CA 1 +ATOM 1059 C C . ILE A 1 133 ? -22.722 -12.151 30.071 1.00 58.97 ? 133 ILE A C 1 +ATOM 1060 O O . ILE A 1 133 ? -21.603 -12.656 29.942 1.00 61.71 ? 133 ILE A O 1 +ATOM 1061 C CB . ILE A 1 133 ? -24.888 -12.750 28.857 1.00 57.74 ? 133 ILE A CB 1 +ATOM 1062 C CG1 . ILE A 1 133 ? -25.894 -13.890 28.673 1.00 55.15 ? 133 ILE A CG1 1 +ATOM 1063 C CG2 . ILE A 1 133 ? -24.056 -12.570 27.580 1.00 48.16 ? 133 ILE A CG2 1 +ATOM 1064 C CD1 . ILE A 1 133 ? -27.095 -13.524 27.825 1.00 47.69 ? 133 ILE A CD1 1 +ATOM 1065 N N . GLU A 1 134 ? -22.897 -10.843 30.226 1.00 57.44 ? 134 GLU A N 1 +ATOM 1066 C CA . GLU A 1 134 ? -21.760 -9.925 30.198 1.00 55.62 ? 134 GLU A CA 1 +ATOM 1067 C C . GLU A 1 134 ? -20.652 -10.329 31.179 1.00 55.91 ? 134 GLU A C 1 +ATOM 1068 O O . GLU A 1 134 ? -19.469 -10.289 30.850 1.00 56.91 ? 134 GLU A O 1 +ATOM 1069 C CB . GLU A 1 134 ? -22.231 -8.497 30.450 1.00 53.36 ? 134 GLU A CB 1 +ATOM 1070 C CG . GLU A 1 134 ? -23.128 -7.982 29.346 1.00 58.08 ? 134 GLU A CG 1 +ATOM 1071 C CD . GLU A 1 134 ? -23.706 -6.606 29.625 1.00 66.14 ? 134 GLU A CD 1 +ATOM 1072 O OE1 . GLU A 1 134 ? -23.458 -6.039 30.717 1.00 74.08 ? 134 GLU A OE1 1 +ATOM 1073 O OE2 . GLU A 1 134 ? -24.420 -6.091 28.739 1.00 61.58 ? 134 GLU A OE2 1 +ATOM 1074 N N . ARG A 1 135 ? -21.029 -10.736 32.382 1.00 55.45 ? 135 ARG A N 1 +ATOM 1075 C CA . ARG A 1 135 ? -20.035 -11.175 33.348 1.00 55.97 ? 135 ARG A CA 1 +ATOM 1076 C C . ARG A 1 135 ? -19.292 -12.419 32.876 1.00 56.70 ? 135 ARG A C 1 +ATOM 1077 O O . ARG A 1 135 ? -18.084 -12.517 33.026 1.00 58.74 ? 135 ARG A O 1 +ATOM 1078 C CB . ARG A 1 135 ? -20.672 -11.376 34.720 1.00 55.89 ? 135 ARG A CB 1 +ATOM 1079 C CG . ARG A 1 135 ? -21.019 -10.054 35.369 1.00 55.25 ? 135 ARG A CG 1 +ATOM 1080 C CD . ARG A 1 135 ? -21.820 -10.214 36.628 1.00 60.38 ? 135 ARG A CD 1 +ATOM 1081 N NE . ARG A 1 135 ? -21.967 -8.918 37.279 1.00 66.67 ? 135 ARG A NE 1 +ATOM 1082 C CZ . ARG A 1 135 ? -22.676 -8.707 38.379 1.00 66.56 ? 135 ARG A CZ 1 +ATOM 1083 N NH1 . ARG A 1 135 ? -23.326 -9.701 38.960 1.00 63.61 ? 135 ARG A NH1 1 +ATOM 1084 N NH2 . ARG A 1 135 ? -22.734 -7.493 38.895 1.00 71.28 ? 135 ARG A NH2 1 +ATOM 1085 N N . TYR A 1 136 ? -20.018 -13.358 32.285 1.00 59.43 ? 136 TYR A N 1 +ATOM 1086 C CA . TYR A 1 136 ? -19.423 -14.568 31.727 1.00 58.45 ? 136 TYR A CA 1 +ATOM 1087 C C . TYR A 1 136 ? -18.456 -14.212 30.606 1.00 59.75 ? 136 TYR A C 1 +ATOM 1088 O O . TYR A 1 136 ? -17.325 -14.693 30.578 1.00 62.37 ? 136 TYR A O 1 +ATOM 1089 C CB . TYR A 1 136 ? -20.520 -15.501 31.213 1.00 54.95 ? 136 TYR A CB 1 +ATOM 1090 C CG . TYR A 1 136 ? -20.065 -16.547 30.225 1.00 57.49 ? 136 TYR A CG 1 +ATOM 1091 C CD1 . TYR A 1 136 ? -19.326 -17.650 30.646 1.00 61.13 ? 136 TYR A CD1 1 +ATOM 1092 C CD2 . TYR A 1 136 ? -20.397 -16.448 28.867 1.00 62.91 ? 136 TYR A CD2 1 +ATOM 1093 C CE1 . TYR A 1 136 ? -18.916 -18.617 29.755 1.00 62.01 ? 136 TYR A CE1 1 +ATOM 1094 C CE2 . TYR A 1 136 ? -20.000 -17.418 27.960 1.00 61.78 ? 136 TYR A CE2 1 +ATOM 1095 C CZ . TYR A 1 136 ? -19.257 -18.499 28.417 1.00 67.12 ? 136 TYR A CZ 1 +ATOM 1096 O OH . TYR A 1 136 ? -18.844 -19.472 27.545 1.00 64.27 ? 136 TYR A OH 1 +ATOM 1097 N N . VAL A 1 137 ? -18.903 -13.357 29.692 1.00 58.39 ? 137 VAL A N 1 +ATOM 1098 C CA . VAL A 1 137 ? -18.082 -12.942 28.567 1.00 57.22 ? 137 VAL A CA 1 +ATOM 1099 C C . VAL A 1 137 ? -16.785 -12.281 29.052 1.00 58.80 ? 137 VAL A C 1 +ATOM 1100 O O . VAL A 1 137 ? -15.693 -12.684 28.660 1.00 61.49 ? 137 VAL A O 1 +ATOM 1101 C CB . VAL A 1 137 ? -18.880 -12.018 27.602 1.00 58.31 ? 137 VAL A CB 1 +ATOM 1102 C CG1 . VAL A 1 137 ? -17.957 -11.105 26.800 1.00 52.90 ? 137 VAL A CG1 1 +ATOM 1103 C CG2 . VAL A 1 137 ? -19.770 -12.852 26.683 1.00 54.81 ? 137 VAL A CG2 1 +ATOM 1104 N N . VAL A 1 138 ? -16.903 -11.287 29.924 1.00 58.54 ? 138 VAL A N 1 +ATOM 1105 C CA . VAL A 1 138 ? -15.738 -10.553 30.407 1.00 54.93 ? 138 VAL A CA 1 +ATOM 1106 C C . VAL A 1 138 ? -14.752 -11.402 31.222 1.00 56.21 ? 138 VAL A C 1 +ATOM 1107 O O . VAL A 1 138 ? -13.541 -11.279 31.058 1.00 58.66 ? 138 VAL A O 1 +ATOM 1108 C CB . VAL A 1 138 ? -16.158 -9.334 31.232 1.00 54.22 ? 138 VAL A CB 1 +ATOM 1109 C CG1 . VAL A 1 138 ? -14.981 -8.799 32.039 1.00 48.49 ? 138 VAL A CG1 1 +ATOM 1110 C CG2 . VAL A 1 138 ? -16.729 -8.269 30.322 1.00 51.84 ? 138 VAL A CG2 1 +ATOM 1111 N N . VAL A 1 139 ? -15.263 -12.268 32.085 1.00 54.12 ? 139 VAL A N 1 +ATOM 1112 C CA . VAL A 1 139 ? -14.401 -12.964 33.023 1.00 51.73 ? 139 VAL A CA 1 +ATOM 1113 C C . VAL A 1 139 ? -13.953 -14.313 32.506 1.00 54.96 ? 139 VAL A C 1 +ATOM 1114 O O . VAL A 1 139 ? -12.778 -14.642 32.584 1.00 58.12 ? 139 VAL A O 1 +ATOM 1115 C CB . VAL A 1 139 ? -15.060 -13.086 34.418 1.00 51.32 ? 139 VAL A CB 1 +ATOM 1116 C CG1 . VAL A 1 139 ? -14.318 -14.093 35.302 1.00 43.85 ? 139 VAL A CG1 1 +ATOM 1117 C CG2 . VAL A 1 139 ? -15.111 -11.717 35.078 1.00 46.87 ? 139 VAL A CG2 1 +ATOM 1118 N N . CYS A 1 140 ? -14.886 -15.098 31.983 1.00 60.32 ? 140 CYS A N 1 +ATOM 1119 C CA . CYS A 1 140 ? -14.554 -16.419 31.447 1.00 61.57 ? 140 CYS A CA 1 +ATOM 1120 C C . CYS A 1 140 ? -13.821 -16.342 30.106 1.00 63.87 ? 140 CYS A C 1 +ATOM 1121 O O . CYS A 1 140 ? -13.172 -17.300 29.706 1.00 66.14 ? 140 CYS A O 1 +ATOM 1122 C CB . CYS A 1 140 ? -15.810 -17.269 31.320 1.00 59.46 ? 140 CYS A CB 1 +ATOM 1123 S SG . CYS A 1 140 ? -16.542 -17.683 32.907 1.00 64.08 ? 140 CYS A SG 1 +ATOM 1124 N N . LYS A 1 141 ? -13.923 -15.205 29.422 1.00 65.85 ? 141 LYS A N 1 +ATOM 1125 C CA . LYS A 1 141 ? -13.133 -14.952 28.219 1.00 70.96 ? 141 LYS A CA 1 +ATOM 1126 C C . LYS A 1 141 ? -13.279 -16.064 27.175 1.00 75.01 ? 141 LYS A C 1 +ATOM 1127 O O . LYS A 1 141 ? -12.293 -16.678 26.768 1.00 75.70 ? 141 LYS A O 1 +ATOM 1128 C CB . LYS A 1 141 ? -11.657 -14.770 28.594 1.00 70.92 ? 141 LYS A CB 1 +ATOM 1129 C CG . LYS A 1 141 ? -11.258 -13.358 28.999 1.00 69.84 ? 141 LYS A CG 1 +ATOM 1130 C CD . LYS A 1 141 ? -9.879 -13.335 29.653 1.00 69.13 ? 141 LYS A CD 1 +ATOM 1131 C CE . LYS A 1 141 ? -9.347 -11.904 29.754 1.00 79.66 ? 141 LYS A CE 1 +ATOM 1132 N NZ . LYS A 1 141 ? -8.274 -11.772 30.788 1.00 82.55 ? 141 LYS A NZ 1 +ATOM 1133 N N . PRO A 1 142 ? -14.514 -16.325 26.726 1.00 79.31 ? 142 PRO A N 1 +ATOM 1134 C CA . PRO A 1 142 ? -14.743 -17.440 25.814 1.00 80.56 ? 142 PRO A CA 1 +ATOM 1135 C C . PRO A 1 142 ? -14.518 -17.054 24.348 1.00 82.40 ? 142 PRO A C 1 +ATOM 1136 O O . PRO A 1 142 ? -14.784 -17.851 23.456 1.00 82.29 ? 142 PRO A O 1 +ATOM 1137 C CB . PRO A 1 142 ? -16.221 -17.751 26.043 1.00 81.01 ? 142 PRO A CB 1 +ATOM 1138 C CG . PRO A 1 142 ? -16.839 -16.401 26.337 1.00 79.41 ? 142 PRO A CG 1 +ATOM 1139 C CD . PRO A 1 142 ? -15.741 -15.532 26.939 1.00 80.10 ? 142 PRO A CD 1 +ATOM 1140 N N . MET A 1 143 ? -14.048 -15.835 24.108 1.00 84.42 ? 143 MET A N 1 +ATOM 1141 C CA . MET A 1 143 ? -13.842 -15.345 22.757 1.00 87.02 ? 143 MET A CA 1 +ATOM 1142 C C . MET A 1 143 ? -12.488 -14.661 22.632 1.00 91.43 ? 143 MET A C 1 +ATOM 1143 O O . MET A 1 143 ? -12.209 -13.683 23.326 1.00 92.41 ? 143 MET A O 1 +ATOM 1144 C CB . MET A 1 143 ? -14.931 -14.348 22.384 1.00 86.18 ? 143 MET A CB 1 +ATOM 1145 C CG . MET A 1 143 ? -16.232 -14.955 21.911 1.00 86.32 ? 143 MET A CG 1 +ATOM 1146 S SD . MET A 1 143 ? -17.488 -13.673 21.661 1.00 89.63 ? 143 MET A SD 1 +ATOM 1147 C CE . MET A 1 143 ? -16.614 -12.485 20.640 1.00 90.86 ? 143 MET A CE 1 +ATOM 1148 N N . SER A 1 144 ? -11.654 -15.172 21.731 1.00 95.45 ? 144 SER A N 1 +ATOM 1149 C CA . SER A 1 144 ? -10.331 -14.606 21.493 1.00 97.15 ? 144 SER A CA 1 +ATOM 1150 C C . SER A 1 144 ? -10.382 -13.108 21.158 1.00 96.97 ? 144 SER A C 1 +ATOM 1151 O O . SER A 1 144 ? -11.172 -12.672 20.310 1.00 94.58 ? 144 SER A O 1 +ATOM 1152 C CB . SER A 1 144 ? -9.632 -15.379 20.371 1.00 97.91 ? 144 SER A CB 1 +ATOM 1153 O OG . SER A 1 144 ? -8.321 -14.890 20.158 1.00 102.83 ? 144 SER A OG 1 +ATOM 1154 N N . ASN A 1 145 ? -9.539 -12.331 21.841 1.00 96.94 ? 145 ASN A N 1 +ATOM 1155 C CA . ASN A 1 145 ? -9.368 -10.900 21.559 1.00 97.66 ? 145 ASN A CA 1 +ATOM 1156 C C . ASN A 1 145 ? -10.668 -10.100 21.539 1.00 95.23 ? 145 ASN A C 1 +ATOM 1157 O O . ASN A 1 145 ? -10.878 -9.283 20.643 1.00 96.12 ? 145 ASN A O 1 +ATOM 1158 C CB . ASN A 1 145 ? -8.629 -10.687 20.224 1.00 100.39 ? 145 ASN A CB 1 +ATOM 1159 C CG . ASN A 1 145 ? -7.187 -11.182 20.256 1.00 106.45 ? 145 ASN A CG 1 +ATOM 1160 O OD1 . ASN A 1 145 ? -6.394 -10.779 21.113 1.00 112.63 ? 145 ASN A OD1 1 +ATOM 1161 N ND2 . ASN A 1 145 ? -6.838 -12.049 19.307 1.00 106.46 ? 145 ASN A ND2 1 +ATOM 1162 N N . PHE A 1 146 ? -11.539 -10.339 22.517 1.00 92.10 ? 146 PHE A N 1 +ATOM 1163 C CA . PHE A 1 146 ? -12.778 -9.570 22.636 1.00 86.26 ? 146 PHE A CA 1 +ATOM 1164 C C . PHE A 1 146 ? -12.673 -8.545 23.762 1.00 82.72 ? 146 PHE A C 1 +ATOM 1165 O O . PHE A 1 146 ? -12.220 -8.872 24.861 1.00 81.23 ? 146 PHE A O 1 +ATOM 1166 C CB . PHE A 1 146 ? -13.983 -10.490 22.856 1.00 85.67 ? 146 PHE A CB 1 +ATOM 1167 C CG . PHE A 1 146 ? -15.284 -9.752 22.998 1.00 87.50 ? 146 PHE A CG 1 +ATOM 1168 C CD1 . PHE A 1 146 ? -16.006 -9.372 21.878 1.00 89.45 ? 146 PHE A CD1 1 +ATOM 1169 C CD2 . PHE A 1 146 ? -15.777 -9.420 24.251 1.00 89.19 ? 146 PHE A CD2 1 +ATOM 1170 C CE1 . PHE A 1 146 ? -17.202 -8.678 22.003 1.00 89.34 ? 146 PHE A CE1 1 +ATOM 1171 C CE2 . PHE A 1 146 ? -16.968 -8.727 24.383 1.00 89.89 ? 146 PHE A CE2 1 +ATOM 1172 C CZ . PHE A 1 146 ? -17.682 -8.355 23.254 1.00 89.94 ? 146 PHE A CZ 1 +ATOM 1173 N N . ARG A 1 147 ? -13.081 -7.310 23.475 1.00 78.53 ? 147 ARG A N 1 +ATOM 1174 C CA . ARG A 1 147 ? -13.111 -6.236 24.470 1.00 78.68 ? 147 ARG A CA 1 +ATOM 1175 C C . ARG A 1 147 ? -14.512 -5.664 24.634 1.00 76.56 ? 147 ARG A C 1 +ATOM 1176 O O . ARG A 1 147 ? -15.050 -5.058 23.703 1.00 76.20 ? 147 ARG A O 1 +ATOM 1177 C CB . ARG A 1 147 ? -12.158 -5.098 24.097 1.00 80.01 ? 147 ARG A CB 1 +ATOM 1178 C CG . ARG A 1 147 ? -10.936 -4.973 24.989 1.00 88.52 ? 147 ARG A CG 1 +ATOM 1179 C CD . ARG A 1 147 ? -10.447 -3.526 25.052 1.00 103.73 ? 147 ARG A CD 1 +ATOM 1180 N NE . ARG A 1 147 ? -9.577 -3.286 26.207 1.00 114.37 ? 147 ARG A NE 1 +ATOM 1181 C CZ . ARG A 1 147 ? -10.007 -3.025 27.443 1.00 117.29 ? 147 ARG A CZ 1 +ATOM 1182 N NH1 . ARG A 1 147 ? -11.308 -2.967 27.712 1.00 115.46 ? 147 ARG A NH1 1 +ATOM 1183 N NH2 . ARG A 1 147 ? -9.129 -2.823 28.418 1.00 117.71 ? 147 ARG A NH2 1 +ATOM 1184 N N . PHE A 1 148 ? -15.090 -5.839 25.822 1.00 72.70 ? 148 PHE A N 1 +ATOM 1185 C CA . PHE A 1 148 ? -16.435 -5.346 26.087 1.00 68.07 ? 148 PHE A CA 1 +ATOM 1186 C C . PHE A 1 148 ? -16.428 -3.831 26.176 1.00 65.37 ? 148 PHE A C 1 +ATOM 1187 O O . PHE A 1 148 ? -15.746 -3.267 27.018 1.00 66.56 ? 148 PHE A O 1 +ATOM 1188 C CB . PHE A 1 148 ? -17.014 -5.952 27.370 1.00 66.65 ? 148 PHE A CB 1 +ATOM 1189 C CG . PHE A 1 148 ? -18.460 -5.633 27.577 1.00 66.39 ? 148 PHE A CG 1 +ATOM 1190 C CD1 . PHE A 1 148 ? -19.448 -6.462 27.055 1.00 65.42 ? 148 PHE A CD1 1 +ATOM 1191 C CD2 . PHE A 1 148 ? -18.843 -4.482 28.267 1.00 67.77 ? 148 PHE A CD2 1 +ATOM 1192 C CE1 . PHE A 1 148 ? -20.804 -6.157 27.235 1.00 67.30 ? 148 PHE A CE1 1 +ATOM 1193 C CE2 . PHE A 1 148 ? -20.195 -4.164 28.445 1.00 63.33 ? 148 PHE A CE2 1 +ATOM 1194 C CZ . PHE A 1 148 ? -21.176 -5.005 27.929 1.00 61.15 ? 148 PHE A CZ 1 +ATOM 1195 N N . GLY A 1 149 ? -17.192 -3.176 25.309 1.00 63.77 ? 149 GLY A N 1 +ATOM 1196 C CA . GLY A 1 149 ? -17.214 -1.716 25.263 1.00 62.46 ? 149 GLY A CA 1 +ATOM 1197 C C . GLY A 1 149 ? -18.616 -1.141 25.194 1.00 64.52 ? 149 GLY A C 1 +ATOM 1198 O O . GLY A 1 149 ? -19.608 -1.884 25.183 1.00 65.22 ? 149 GLY A O 1 +ATOM 1199 N N . GLU A 1 150 ? -18.692 0.186 25.133 1.00 63.72 ? 150 GLU A N 1 +ATOM 1200 C CA . GLU A 1 150 ? -19.959 0.915 25.146 1.00 65.70 ? 150 GLU A CA 1 +ATOM 1201 C C . GLU A 1 150 ? -21.043 0.333 24.219 1.00 69.27 ? 150 GLU A C 1 +ATOM 1202 O O . GLU A 1 150 ? -22.202 0.200 24.616 1.00 72.57 ? 150 GLU A O 1 +ATOM 1203 C CB . GLU A 1 150 ? -19.712 2.395 24.838 1.00 62.77 ? 150 GLU A CB 1 +ATOM 1204 C CG . GLU A 1 150 ? -20.962 3.241 24.754 1.00 63.84 ? 150 GLU A CG 1 +ATOM 1205 C CD . GLU A 1 150 ? -20.662 4.722 24.701 1.00 68.61 ? 150 GLU A CD 1 +ATOM 1206 O OE1 . GLU A 1 150 ? -19.493 5.104 24.897 1.00 78.40 ? 150 GLU A OE1 1 +ATOM 1207 O OE2 . GLU A 1 150 ? -21.595 5.515 24.470 1.00 73.51 ? 150 GLU A OE2 1 +ATOM 1208 N N . ASN A 1 151 ? -20.671 -0.016 22.992 1.00 72.29 ? 151 ASN A N 1 +ATOM 1209 C CA . ASN A 1 151 ? -21.635 -0.550 22.037 1.00 71.38 ? 151 ASN A CA 1 +ATOM 1210 C C . ASN A 1 151 ? -22.295 -1.841 22.499 1.00 70.05 ? 151 ASN A C 1 +ATOM 1211 O O . ASN A 1 151 ? -23.497 -2.013 22.340 1.00 70.69 ? 151 ASN A O 1 +ATOM 1212 C CB . ASN A 1 151 ? -20.997 -0.729 20.661 1.00 72.26 ? 151 ASN A CB 1 +ATOM 1213 C CG . ASN A 1 151 ? -20.934 0.566 19.880 1.00 76.78 ? 151 ASN A CG 1 +ATOM 1214 O OD1 . ASN A 1 151 ? -21.311 1.630 20.377 1.00 77.59 ? 151 ASN A OD1 1 +ATOM 1215 N ND2 . ASN A 1 151 ? -20.458 0.483 18.645 1.00 84.13 ? 151 ASN A ND2 1 +ATOM 1216 N N . HIS A 1 152 ? -21.520 -2.749 23.075 1.00 69.16 ? 152 HIS A N 1 +ATOM 1217 C CA . HIS A 1 152 ? -22.098 -4.005 23.539 1.00 70.78 ? 152 HIS A CA 1 +ATOM 1218 C C . HIS A 1 152 ? -23.085 -3.731 24.662 1.00 71.26 ? 152 HIS A C 1 +ATOM 1219 O O . HIS A 1 152 ? -24.185 -4.285 24.685 1.00 72.59 ? 152 HIS A O 1 +ATOM 1220 C CB . HIS A 1 152 ? -21.015 -4.976 23.995 1.00 70.17 ? 152 HIS A CB 1 +ATOM 1221 C CG . HIS A 1 152 ? -19.961 -5.224 22.962 1.00 76.45 ? 152 HIS A CG 1 +ATOM 1222 N ND1 . HIS A 1 152 ? -18.632 -4.919 23.166 1.00 78.57 ? 152 HIS A ND1 1 +ATOM 1223 C CD2 . HIS A 1 152 ? -20.043 -5.732 21.710 1.00 71.40 ? 152 HIS A CD2 1 +ATOM 1224 C CE1 . HIS A 1 152 ? -17.940 -5.242 22.090 1.00 72.14 ? 152 HIS A CE1 1 +ATOM 1225 N NE2 . HIS A 1 152 ? -18.772 -5.736 21.192 1.00 71.22 ? 152 HIS A NE2 1 +ATOM 1226 N N . ALA A 1 153 ? -22.686 -2.851 25.577 1.00 70.85 ? 153 ALA A N 1 +ATOM 1227 C CA . ALA A 1 153 ? -23.519 -2.447 26.698 1.00 67.58 ? 153 ALA A CA 1 +ATOM 1228 C C . ALA A 1 153 ? -24.902 -2.018 26.224 1.00 66.05 ? 153 ALA A C 1 +ATOM 1229 O O . ALA A 1 153 ? -25.924 -2.434 26.784 1.00 65.43 ? 153 ALA A O 1 +ATOM 1230 C CB . ALA A 1 153 ? -22.849 -1.322 27.459 1.00 68.14 ? 153 ALA A CB 1 +ATOM 1231 N N . ILE A 1 154 ? -24.919 -1.184 25.186 1.00 63.14 ? 154 ILE A N 1 +ATOM 1232 C CA . ILE A 1 154 ? -26.158 -0.687 24.599 1.00 61.51 ? 154 ILE A CA 1 +ATOM 1233 C C . ILE A 1 154 ? -26.995 -1.823 23.981 1.00 62.10 ? 154 ILE A C 1 +ATOM 1234 O O . ILE A 1 154 ? -28.197 -1.926 24.231 1.00 60.06 ? 154 ILE A O 1 +ATOM 1235 C CB . ILE A 1 154 ? -25.876 0.446 23.587 1.00 60.47 ? 154 ILE A CB 1 +ATOM 1236 C CG1 . ILE A 1 154 ? -25.327 1.672 24.333 1.00 58.33 ? 154 ILE A CG1 1 +ATOM 1237 C CG2 . ILE A 1 154 ? -27.125 0.785 22.783 1.00 56.42 ? 154 ILE A CG2 1 +ATOM 1238 C CD1 . ILE A 1 154 ? -25.162 2.919 23.480 1.00 58.70 ? 154 ILE A CD1 1 +ATOM 1239 N N . MET A 1 155 ? -26.354 -2.685 23.200 1.00 61.77 ? 155 MET A N 1 +ATOM 1240 C CA . MET A 1 155 ? -27.042 -3.844 22.658 1.00 63.29 ? 155 MET A CA 1 +ATOM 1241 C C . MET A 1 155 ? -27.700 -4.640 23.762 1.00 60.43 ? 155 MET A C 1 +ATOM 1242 O O . MET A 1 155 ? -28.890 -4.948 23.671 1.00 61.94 ? 155 MET A O 1 +ATOM 1243 C CB . MET A 1 155 ? -26.100 -4.722 21.833 1.00 66.04 ? 155 MET A CB 1 +ATOM 1244 C CG . MET A 1 155 ? -26.095 -4.342 20.360 1.00 80.31 ? 155 MET A CG 1 +ATOM 1245 S SD . MET A 1 155 ? -24.523 -4.684 19.550 1.00 107.62 ? 155 MET A SD 1 +ATOM 1246 C CE . MET A 1 155 ? -24.846 -4.093 17.877 1.00 104.40 ? 155 MET A CE 1 +ATOM 1247 N N . GLY A 1 156 ? -26.933 -4.961 24.804 1.00 57.01 ? 156 GLY A N 1 +ATOM 1248 C CA . GLY A 1 156 ? -27.468 -5.639 25.989 1.00 54.16 ? 156 GLY A CA 1 +ATOM 1249 C C . GLY A 1 156 ? -28.705 -4.950 26.565 1.00 54.95 ? 156 GLY A C 1 +ATOM 1250 O O . GLY A 1 156 ? -29.697 -5.602 26.888 1.00 54.71 ? 156 GLY A O 1 +ATOM 1251 N N . VAL A 1 157 ? -28.666 -3.627 26.689 1.00 52.80 ? 157 VAL A N 1 +ATOM 1252 C CA . VAL A 1 157 ? -29.824 -2.917 27.205 1.00 53.71 ? 157 VAL A CA 1 +ATOM 1253 C C . VAL A 1 157 ? -30.990 -3.057 26.235 1.00 55.71 ? 157 VAL A C 1 +ATOM 1254 O O . VAL A 1 157 ? -32.079 -3.461 26.639 1.00 57.60 ? 157 VAL A O 1 +ATOM 1255 C CB . VAL A 1 157 ? -29.512 -1.429 27.537 1.00 54.77 ? 157 VAL A CB 1 +ATOM 1256 C CG1 . VAL A 1 157 ? -30.792 -0.641 27.819 1.00 46.63 ? 157 VAL A CG1 1 +ATOM 1257 C CG2 . VAL A 1 157 ? -28.572 -1.352 28.729 1.00 53.90 ? 157 VAL A CG2 1 +ATOM 1258 N N . ALA A 1 158 ? -30.751 -2.747 24.957 1.00 57.78 ? 158 ALA A N 1 +ATOM 1259 C CA . ALA A 1 158 ? -31.780 -2.864 23.907 1.00 56.54 ? 158 ALA A CA 1 +ATOM 1260 C C . ALA A 1 158 ? -32.393 -4.260 23.870 1.00 55.09 ? 158 ALA A C 1 +ATOM 1261 O O . ALA A 1 158 ? -33.613 -4.416 23.749 1.00 54.74 ? 158 ALA A O 1 +ATOM 1262 C CB . ALA A 1 158 ? -31.214 -2.499 22.542 1.00 55.43 ? 158 ALA A CB 1 +ATOM 1263 N N . PHE A 1 159 ? -31.541 -5.272 23.990 1.00 51.76 ? 159 PHE A N 1 +ATOM 1264 C CA . PHE A 1 159 ? -32.009 -6.646 24.038 1.00 51.42 ? 159 PHE A CA 1 +ATOM 1265 C C . PHE A 1 159 ? -33.075 -6.871 25.120 1.00 53.54 ? 159 PHE A C 1 +ATOM 1266 O O . PHE A 1 159 ? -34.026 -7.620 24.900 1.00 55.49 ? 159 PHE A O 1 +ATOM 1267 C CB . PHE A 1 159 ? -30.841 -7.597 24.246 1.00 47.14 ? 159 PHE A CB 1 +ATOM 1268 C CG . PHE A 1 159 ? -31.244 -9.030 24.326 1.00 46.12 ? 159 PHE A CG 1 +ATOM 1269 C CD1 . PHE A 1 159 ? -31.771 -9.677 23.217 1.00 43.81 ? 159 PHE A CD1 1 +ATOM 1270 C CD2 . PHE A 1 159 ? -31.093 -9.743 25.512 1.00 49.77 ? 159 PHE A CD2 1 +ATOM 1271 C CE1 . PHE A 1 159 ? -32.144 -11.025 23.286 1.00 51.81 ? 159 PHE A CE1 1 +ATOM 1272 C CE2 . PHE A 1 159 ? -31.461 -11.096 25.597 1.00 49.63 ? 159 PHE A CE2 1 +ATOM 1273 C CZ . PHE A 1 159 ? -31.986 -11.738 24.479 1.00 50.33 ? 159 PHE A CZ 1 +ATOM 1274 N N . THR A 1 160 ? -32.924 -6.231 26.280 1.00 54.25 ? 160 THR A N 1 +ATOM 1275 C CA . THR A 1 160 ? -33.876 -6.444 27.372 1.00 53.69 ? 160 THR A CA 1 +ATOM 1276 C C . THR A 1 160 ? -35.215 -5.799 27.050 1.00 54.30 ? 160 THR A C 1 +ATOM 1277 O O . THR A 1 160 ? -36.263 -6.392 27.295 1.00 54.30 ? 160 THR A O 1 +ATOM 1278 C CB . THR A 1 160 ? -33.364 -5.954 28.761 1.00 54.03 ? 160 THR A CB 1 +ATOM 1279 O OG1 . THR A 1 160 ? -33.213 -4.528 28.758 1.00 53.97 ? 160 THR A OG1 1 +ATOM 1280 C CG2 . THR A 1 160 ? -32.044 -6.627 29.138 1.00 48.44 ? 160 THR A CG2 1 +ATOM 1281 N N A TRP A 1 161 ? -35.187 -4.591 26.494 0.50 55.22 ? 161 TRP A N 1 +ATOM 1282 N N B TRP A 1 161 ? -35.167 -4.587 26.503 0.50 54.36 ? 161 TRP A N 1 +ATOM 1283 C CA A TRP A 1 161 ? -36.424 -3.894 26.141 0.50 56.87 ? 161 TRP A CA 1 +ATOM 1284 C CA B TRP A 1 161 ? -36.375 -3.879 26.102 0.50 55.33 ? 161 TRP A CA 1 +ATOM 1285 C C A TRP A 1 161 ? -37.213 -4.636 25.058 0.50 58.29 ? 161 TRP A C 1 +ATOM 1286 C C B TRP A 1 161 ? -37.182 -4.734 25.132 0.50 57.33 ? 161 TRP A C 1 +ATOM 1287 O O A TRP A 1 161 ? -38.445 -4.658 25.088 0.50 60.21 ? 161 TRP A O 1 +ATOM 1288 O O B TRP A 1 161 ? -38.385 -4.934 25.315 0.50 59.21 ? 161 TRP A O 1 +ATOM 1289 C CB A TRP A 1 161 ? -36.146 -2.448 25.720 0.50 56.77 ? 161 TRP A CB 1 +ATOM 1290 C CB B TRP A 1 161 ? -36.031 -2.538 25.446 0.50 54.03 ? 161 TRP A CB 1 +ATOM 1291 C CG A TRP A 1 161 ? -36.047 -1.480 26.882 0.50 58.96 ? 161 TRP A CG 1 +ATOM 1292 C CG B TRP A 1 161 ? -35.339 -1.562 26.358 0.50 53.67 ? 161 TRP A CG 1 +ATOM 1293 C CD1 A TRP A 1 161 ? -35.070 -1.444 27.841 0.50 54.87 ? 161 TRP A CD1 1 +ATOM 1294 C CD1 B TRP A 1 161 ? -35.027 -1.744 27.683 0.50 49.54 ? 161 TRP A CD1 1 +ATOM 1295 C CD2 A TRP A 1 161 ? -36.956 -0.410 27.197 0.50 59.34 ? 161 TRP A CD2 1 +ATOM 1296 C CD2 B TRP A 1 161 ? -34.907 -0.236 26.023 0.50 48.00 ? 161 TRP A CD2 1 +ATOM 1297 N NE1 A TRP A 1 161 ? -35.316 -0.424 28.726 0.50 55.11 ? 161 TRP A NE1 1 +ATOM 1298 N NE1 B TRP A 1 161 ? -34.410 -0.623 28.178 0.50 45.38 ? 161 TRP A NE1 1 +ATOM 1299 C CE2 A TRP A 1 161 ? -36.465 0.226 28.357 0.50 57.69 ? 161 TRP A CE2 1 +ATOM 1300 C CE2 B TRP A 1 161 ? -34.327 0.320 27.185 0.50 49.68 ? 161 TRP A CE2 1 +ATOM 1301 C CE3 A TRP A 1 161 ? -38.138 0.068 26.615 0.50 56.28 ? 161 TRP A CE3 1 +ATOM 1302 C CE3 B TRP A 1 161 ? -34.946 0.532 24.855 0.50 43.68 ? 161 TRP A CE3 1 +ATOM 1303 C CZ2 A TRP A 1 161 ? -37.113 1.319 28.945 0.50 55.50 ? 161 TRP A CZ2 1 +ATOM 1304 C CZ2 B TRP A 1 161 ? -33.787 1.612 27.209 0.50 48.26 ? 161 TRP A CZ2 1 +ATOM 1305 C CZ3 A TRP A 1 161 ? -38.778 1.153 27.201 0.50 53.54 ? 161 TRP A CZ3 1 +ATOM 1306 C CZ3 B TRP A 1 161 ? -34.413 1.814 24.880 0.50 44.60 ? 161 TRP A CZ3 1 +ATOM 1307 C CH2 A TRP A 1 161 ? -38.262 1.767 28.351 0.50 52.34 ? 161 TRP A CH2 1 +ATOM 1308 C CH2 B TRP A 1 161 ? -33.842 2.341 26.049 0.50 45.41 ? 161 TRP A CH2 1 +ATOM 1309 N N . VAL A 1 162 ? -36.500 -5.241 24.109 1.00 58.47 ? 162 VAL A N 1 +ATOM 1310 C CA . VAL A 1 162 ? -37.119 -6.049 23.061 1.00 56.02 ? 162 VAL A CA 1 +ATOM 1311 C C . VAL A 1 162 ? -37.724 -7.324 23.649 1.00 58.98 ? 162 VAL A C 1 +ATOM 1312 O O . VAL A 1 162 ? -38.881 -7.646 23.366 1.00 61.09 ? 162 VAL A O 1 +ATOM 1313 C CB . VAL A 1 162 ? -36.096 -6.365 21.926 1.00 57.00 ? 162 VAL A CB 1 +ATOM 1314 C CG1 . VAL A 1 162 ? -36.477 -7.620 21.132 1.00 48.66 ? 162 VAL A CG1 1 +ATOM 1315 C CG2 . VAL A 1 162 ? -35.927 -5.151 21.010 1.00 52.01 ? 162 VAL A CG2 1 +ATOM 1316 N N . MET A 1 163 ? -36.968 -8.042 24.477 1.00 57.90 ? 163 MET A N 1 +ATOM 1317 C CA . MET A 1 163 ? -37.525 -9.228 25.125 1.00 59.61 ? 163 MET A CA 1 +ATOM 1318 C C . MET A 1 163 ? -38.734 -8.886 25.999 1.00 60.73 ? 163 MET A C 1 +ATOM 1319 O O . MET A 1 163 ? -39.655 -9.694 26.135 1.00 63.76 ? 163 MET A O 1 +ATOM 1320 C CB . MET A 1 163 ? -36.486 -9.963 25.970 1.00 58.90 ? 163 MET A CB 1 +ATOM 1321 C CG . MET A 1 163 ? -35.405 -10.662 25.183 1.00 64.28 ? 163 MET A CG 1 +ATOM 1322 S SD . MET A 1 163 ? -36.018 -11.653 23.812 1.00 65.66 ? 163 MET A SD 1 +ATOM 1323 C CE . MET A 1 163 ? -36.823 -13.004 24.667 1.00 57.49 ? 163 MET A CE 1 +ATOM 1324 N N . ALA A 1 164 ? -38.736 -7.702 26.603 1.00 58.23 ? 164 ALA A N 1 +ATOM 1325 C CA . ALA A 1 164 ? -39.826 -7.350 27.502 1.00 59.34 ? 164 ALA A CA 1 +ATOM 1326 C C . ALA A 1 164 ? -41.099 -7.041 26.717 1.00 58.47 ? 164 ALA A C 1 +ATOM 1327 O O . ALA A 1 164 ? -42.174 -7.536 27.059 1.00 60.53 ? 164 ALA A O 1 +ATOM 1328 C CB . ALA A 1 164 ? -39.442 -6.194 28.421 1.00 59.39 ? 164 ALA A CB 1 +ATOM 1329 N N . LEU A 1 165 ? -40.984 -6.232 25.669 1.00 55.51 ? 165 LEU A N 1 +ATOM 1330 C CA . LEU A 1 165 ? -42.111 -6.028 24.756 1.00 54.80 ? 165 LEU A CA 1 +ATOM 1331 C C . LEU A 1 165 ? -42.590 -7.370 24.173 1.00 52.80 ? 165 LEU A C 1 +ATOM 1332 O O . LEU A 1 165 ? -43.787 -7.602 24.040 1.00 51.81 ? 165 LEU A O 1 +ATOM 1333 C CB . LEU A 1 165 ? -41.767 -5.016 23.650 1.00 54.58 ? 165 LEU A CB 1 +ATOM 1334 C CG . LEU A 1 165 ? -41.513 -3.581 24.149 1.00 59.85 ? 165 LEU A CG 1 +ATOM 1335 C CD1 . LEU A 1 165 ? -40.732 -2.746 23.137 1.00 58.37 ? 165 LEU A CD1 1 +ATOM 1336 C CD2 . LEU A 1 165 ? -42.807 -2.865 24.555 1.00 52.59 ? 165 LEU A CD2 1 +ATOM 1337 N N . ALA A 1 166 ? -41.658 -8.264 23.862 1.00 51.40 ? 166 ALA A N 1 +ATOM 1338 C CA . ALA A 1 166 ? -42.027 -9.587 23.373 1.00 54.30 ? 166 ALA A CA 1 +ATOM 1339 C C . ALA A 1 166 ? -42.984 -10.296 24.335 1.00 55.82 ? 166 ALA A C 1 +ATOM 1340 O O . ALA A 1 166 ? -43.582 -11.318 23.999 1.00 57.40 ? 166 ALA A O 1 +ATOM 1341 C CB . ALA A 1 166 ? -40.785 -10.435 23.130 1.00 51.49 ? 166 ALA A CB 1 +ATOM 1342 N N . CYS A 1 167 ? -43.117 -9.749 25.539 1.00 58.83 ? 167 CYS A N 1 +ATOM 1343 C CA . CYS A 1 167 ? -43.941 -10.358 26.573 1.00 58.64 ? 167 CYS A CA 1 +ATOM 1344 C C . CYS A 1 167 ? -45.135 -9.488 26.941 1.00 58.13 ? 167 CYS A C 1 +ATOM 1345 O O . CYS A 1 167 ? -46.271 -9.961 26.977 1.00 59.33 ? 167 CYS A O 1 +ATOM 1346 C CB . CYS A 1 167 ? -43.118 -10.640 27.820 1.00 57.71 ? 167 CYS A CB 1 +ATOM 1347 S SG . CYS A 1 167 ? -44.165 -10.940 29.251 1.00 64.82 ? 167 CYS A SG 1 +ATOM 1348 N N . ALA A 1 168 ? -44.874 -8.216 27.206 1.00 57.58 ? 168 ALA A N 1 +ATOM 1349 C CA . ALA A 1 168 ? -45.930 -7.279 27.576 1.00 60.27 ? 168 ALA A CA 1 +ATOM 1350 C C . ALA A 1 168 ? -46.860 -6.851 26.417 1.00 61.81 ? 168 ALA A C 1 +ATOM 1351 O O . ALA A 1 168 ? -48.046 -6.576 26.644 1.00 62.35 ? 168 ALA A O 1 +ATOM 1352 C CB . ALA A 1 168 ? -45.326 -6.054 28.263 1.00 59.77 ? 168 ALA A CB 1 +ATOM 1353 N N . ALA A 1 169 ? -46.335 -6.798 25.191 1.00 59.90 ? 169 ALA A N 1 +ATOM 1354 C CA . ALA A 1 169 ? -47.102 -6.264 24.055 1.00 59.87 ? 169 ALA A CA 1 +ATOM 1355 C C . ALA A 1 169 ? -48.170 -7.209 23.469 1.00 60.65 ? 169 ALA A C 1 +ATOM 1356 O O . ALA A 1 169 ? -49.293 -6.783 23.199 1.00 61.88 ? 169 ALA A O 1 +ATOM 1357 C CB . ALA A 1 169 ? -46.175 -5.743 22.965 1.00 56.71 ? 169 ALA A CB 1 +ATOM 1358 N N . PRO A 1 170 ? -47.834 -8.489 23.263 1.00 61.18 ? 170 PRO A N 1 +ATOM 1359 C CA . PRO A 1 170 ? -48.843 -9.408 22.728 1.00 63.67 ? 170 PRO A CA 1 +ATOM 1360 C C . PRO A 1 170 ? -50.238 -9.346 23.405 1.00 65.27 ? 170 PRO A C 1 +ATOM 1361 O O . PRO A 1 170 ? -51.244 -9.267 22.700 1.00 65.06 ? 170 PRO A O 1 +ATOM 1362 C CB . PRO A 1 170 ? -48.194 -10.782 22.925 1.00 64.01 ? 170 PRO A CB 1 +ATOM 1363 C CG . PRO A 1 170 ? -46.740 -10.505 22.810 1.00 62.15 ? 170 PRO A CG 1 +ATOM 1364 C CD . PRO A 1 170 ? -46.523 -9.143 23.418 1.00 61.13 ? 170 PRO A CD 1 +ATOM 1365 N N . PRO A 1 171 ? -50.303 -9.382 24.756 1.00 65.86 ? 171 PRO A N 1 +ATOM 1366 C CA . PRO A 1 171 ? -51.613 -9.377 25.426 1.00 64.62 ? 171 PRO A CA 1 +ATOM 1367 C C . PRO A 1 171 ? -52.417 -8.104 25.213 1.00 64.77 ? 171 PRO A C 1 +ATOM 1368 O O . PRO A 1 171 ? -53.585 -8.053 25.591 1.00 68.87 ? 171 PRO A O 1 +ATOM 1369 C CB . PRO A 1 171 ? -51.257 -9.513 26.911 1.00 61.45 ? 171 PRO A CB 1 +ATOM 1370 C CG . PRO A 1 171 ? -49.903 -10.105 26.923 1.00 66.75 ? 171 PRO A CG 1 +ATOM 1371 C CD . PRO A 1 171 ? -49.206 -9.520 25.729 1.00 65.98 ? 171 PRO A CD 1 +ATOM 1372 N N . LEU A 1 172 ? -51.801 -7.081 24.632 1.00 63.72 ? 172 LEU A N 1 +ATOM 1373 C CA . LEU A 1 172 ? -52.526 -5.859 24.320 1.00 64.09 ? 172 LEU A CA 1 +ATOM 1374 C C . LEU A 1 172 ? -53.225 -6.004 22.984 1.00 66.10 ? 172 LEU A C 1 +ATOM 1375 O O . LEU A 1 172 ? -54.078 -5.187 22.647 1.00 69.38 ? 172 LEU A O 1 +ATOM 1376 C CB . LEU A 1 172 ? -51.594 -4.641 24.252 1.00 62.81 ? 172 LEU A CB 1 +ATOM 1377 C CG . LEU A 1 172 ? -51.087 -3.956 25.523 1.00 58.03 ? 172 LEU A CG 1 +ATOM 1378 C CD1 . LEU A 1 172 ? -50.196 -2.796 25.130 1.00 54.43 ? 172 LEU A CD1 1 +ATOM 1379 C CD2 . LEU A 1 172 ? -52.224 -3.467 26.411 1.00 51.27 ? 172 LEU A CD2 1 +ATOM 1380 N N . VAL A 1 173 ? -52.859 -7.029 22.214 1.00 64.32 ? 173 VAL A N 1 +ATOM 1381 C CA . VAL A 1 173 ? -53.372 -7.148 20.850 1.00 61.29 ? 173 VAL A CA 1 +ATOM 1382 C C . VAL A 1 173 ? -53.764 -8.557 20.407 1.00 62.68 ? 173 VAL A C 1 +ATOM 1383 O O . VAL A 1 173 ? -53.624 -8.883 19.234 1.00 64.19 ? 173 VAL A O 1 +ATOM 1384 C CB . VAL A 1 173 ? -52.392 -6.539 19.796 1.00 61.92 ? 173 VAL A CB 1 +ATOM 1385 C CG1 . VAL A 1 173 ? -52.231 -5.019 20.008 1.00 58.87 ? 173 VAL A CG1 1 +ATOM 1386 C CG2 . VAL A 1 173 ? -51.033 -7.273 19.795 1.00 51.85 ? 173 VAL A CG2 1 +ATOM 1387 N N . GLY A 1 174 ? -54.250 -9.392 21.321 1.00 60.65 ? 174 GLY A N 1 +ATOM 1388 C CA . GLY A 1 174 ? -54.875 -10.641 20.906 1.00 58.70 ? 174 GLY A CA 1 +ATOM 1389 C C . GLY A 1 174 ? -54.278 -11.927 21.431 1.00 61.42 ? 174 GLY A C 1 +ATOM 1390 O O . GLY A 1 174 ? -54.983 -12.934 21.605 1.00 63.07 ? 174 GLY A O 1 +ATOM 1391 N N . TRP A 1 175 ? -52.974 -11.922 21.667 1.00 61.10 ? 175 TRP A N 1 +ATOM 1392 C CA . TRP A 1 175 ? -52.336 -13.108 22.223 1.00 59.11 ? 175 TRP A CA 1 +ATOM 1393 C C . TRP A 1 175 ? -52.273 -12.923 23.744 1.00 59.49 ? 175 TRP A C 1 +ATOM 1394 O O . TRP A 1 175 ? -51.614 -12.008 24.246 1.00 59.97 ? 175 TRP A O 1 +ATOM 1395 C CB . TRP A 1 175 ? -50.970 -13.352 21.567 1.00 56.54 ? 175 TRP A CB 1 +ATOM 1396 C CG . TRP A 1 175 ? -50.462 -14.728 21.777 1.00 52.92 ? 175 TRP A CG 1 +ATOM 1397 C CD1 . TRP A 1 175 ? -51.196 -15.835 22.132 1.00 56.05 ? 175 TRP A CD1 1 +ATOM 1398 C CD2 . TRP A 1 175 ? -49.111 -15.174 21.625 1.00 51.54 ? 175 TRP A CD2 1 +ATOM 1399 N NE1 . TRP A 1 175 ? -50.376 -16.937 22.225 1.00 59.04 ? 175 TRP A NE1 1 +ATOM 1400 C CE2 . TRP A 1 175 ? -49.091 -16.560 21.921 1.00 56.66 ? 175 TRP A CE2 1 +ATOM 1401 C CE3 . TRP A 1 175 ? -47.912 -14.538 21.278 1.00 50.60 ? 175 TRP A CE3 1 +ATOM 1402 C CZ2 . TRP A 1 175 ? -47.916 -17.317 21.879 1.00 54.36 ? 175 TRP A CZ2 1 +ATOM 1403 C CZ3 . TRP A 1 175 ? -46.741 -15.295 21.234 1.00 45.05 ? 175 TRP A CZ3 1 +ATOM 1404 C CH2 . TRP A 1 175 ? -46.756 -16.668 21.529 1.00 50.82 ? 175 TRP A CH2 1 +ATOM 1405 N N . SER A 1 176 ? -53.000 -13.779 24.457 1.00 58.89 ? 176 SER A N 1 +ATOM 1406 C CA . SER A 1 176 ? -53.393 -13.541 25.849 1.00 58.35 ? 176 SER A CA 1 +ATOM 1407 C C . SER A 1 176 ? -54.041 -12.171 26.078 1.00 58.35 ? 176 SER A C 1 +ATOM 1408 O O . SER A 1 176 ? -54.400 -11.448 25.129 1.00 59.27 ? 176 SER A O 1 +ATOM 1409 C CB . SER A 1 176 ? -52.231 -13.757 26.822 1.00 59.47 ? 176 SER A CB 1 +ATOM 1410 O OG . SER A 1 176 ? -52.720 -13.925 28.152 1.00 61.96 ? 176 SER A OG 1 +ATOM 1411 N N . ARG A 1 177 ? -54.194 -11.818 27.350 1.00 58.22 ? 177 ARG A N 1 +ATOM 1412 C CA . ARG A 1 177 ? -54.839 -10.557 27.737 1.00 57.14 ? 177 ARG A CA 1 +ATOM 1413 C C . ARG A 1 177 ? -54.453 -10.167 29.168 1.00 56.20 ? 177 ARG A C 1 +ATOM 1414 O O . ARG A 1 177 ? -53.993 -11.011 29.956 1.00 52.51 ? 177 ARG A O 1 +ATOM 1415 C CB . ARG A 1 177 ? -56.360 -10.698 27.636 1.00 53.24 ? 177 ARG A CB 1 +ATOM 1416 C CG . ARG A 1 177 ? -56.853 -11.989 28.260 1.00 52.59 ? 177 ARG A CG 1 +ATOM 1417 C CD . ARG A 1 177 ? -58.353 -12.043 28.404 1.00 58.75 ? 177 ARG A CD 1 +ATOM 1418 N NE . ARG A 1 177 ? -58.745 -13.091 29.345 1.00 52.83 ? 177 ARG A NE 1 +ATOM 1419 C CZ . ARG A 1 177 ? -59.982 -13.255 29.795 1.00 48.06 ? 177 ARG A CZ 1 +ATOM 1420 N NH1 . ARG A 1 177 ? -60.940 -12.437 29.382 1.00 56.37 ? 177 ARG A NH1 1 +ATOM 1421 N NH2 . ARG A 1 177 ? -60.259 -14.224 30.657 1.00 41.14 ? 177 ARG A NH2 1 +ATOM 1422 N N . TYR A 1 178 ? -54.642 -8.889 29.488 1.00 54.90 ? 178 TYR A N 1 +ATOM 1423 C CA . TYR A 1 178 ? -54.520 -8.417 30.861 1.00 54.75 ? 178 TYR A CA 1 +ATOM 1424 C C . TYR A 1 178 ? -55.875 -8.428 31.567 1.00 53.39 ? 178 TYR A C 1 +ATOM 1425 O O . TYR A 1 178 ? -56.880 -8.034 30.992 1.00 56.06 ? 178 TYR A O 1 +ATOM 1426 C CB . TYR A 1 178 ? -53.904 -7.009 30.902 1.00 56.16 ? 178 TYR A CB 1 +ATOM 1427 C CG . TYR A 1 178 ? -52.458 -6.972 30.465 1.00 53.53 ? 178 TYR A CG 1 +ATOM 1428 C CD1 . TYR A 1 178 ? -51.469 -7.601 31.216 1.00 53.11 ? 178 TYR A CD1 1 +ATOM 1429 C CD2 . TYR A 1 178 ? -52.083 -6.315 29.294 1.00 51.76 ? 178 TYR A CD2 1 +ATOM 1430 C CE1 . TYR A 1 178 ? -50.143 -7.579 30.809 1.00 61.77 ? 178 TYR A CE1 1 +ATOM 1431 C CE2 . TYR A 1 178 ? -50.767 -6.284 28.883 1.00 59.38 ? 178 TYR A CE2 1 +ATOM 1432 C CZ . TYR A 1 178 ? -49.798 -6.915 29.643 1.00 61.94 ? 178 TYR A CZ 1 +ATOM 1433 O OH . TYR A 1 178 ? -48.487 -6.888 29.228 1.00 59.82 ? 178 TYR A OH 1 +ATOM 1434 N N . ILE A 1 179 ? -55.904 -8.875 32.813 1.00 51.24 ? 179 ILE A N 1 +ATOM 1435 C CA . ILE A 1 179 ? -57.143 -8.868 33.591 1.00 52.91 ? 179 ILE A CA 1 +ATOM 1436 C C . ILE A 1 179 ? -56.810 -8.743 35.072 1.00 53.91 ? 179 ILE A C 1 +ATOM 1437 O O . ILE A 1 179 ? -55.749 -9.187 35.504 1.00 57.64 ? 179 ILE A O 1 +ATOM 1438 C CB . ILE A 1 179 ? -58.003 -10.158 33.345 1.00 52.14 ? 179 ILE A CB 1 +ATOM 1439 C CG1 . ILE A 1 179 ? -57.293 -11.405 33.870 1.00 47.35 ? 179 ILE A CG1 1 +ATOM 1440 C CG2 . ILE A 1 179 ? -58.333 -10.338 31.858 1.00 49.27 ? 179 ILE A CG2 1 +ATOM 1441 C CD1 . ILE A 1 179 ? -58.147 -12.639 33.900 1.00 38.74 ? 179 ILE A CD1 1 +ATOM 1442 N N . PRO A 1 180 ? -57.703 -8.141 35.863 1.00 53.81 ? 180 PRO A N 1 +ATOM 1443 C CA . PRO A 1 180 ? -57.425 -8.051 37.301 1.00 53.47 ? 180 PRO A CA 1 +ATOM 1444 C C . PRO A 1 180 ? -56.979 -9.391 37.887 1.00 52.16 ? 180 PRO A C 1 +ATOM 1445 O O . PRO A 1 180 ? -57.512 -10.428 37.513 1.00 54.79 ? 180 PRO A O 1 +ATOM 1446 C CB . PRO A 1 180 ? -58.773 -7.637 37.884 1.00 51.58 ? 180 PRO A CB 1 +ATOM 1447 C CG . PRO A 1 180 ? -59.391 -6.817 36.797 1.00 54.23 ? 180 PRO A CG 1 +ATOM 1448 C CD . PRO A 1 180 ? -58.942 -7.440 35.491 1.00 55.09 ? 180 PRO A CD 1 +ATOM 1449 N N . GLU A 1 181 ? -55.995 -9.384 38.780 1.00 52.88 ? 181 GLU A N 1 +ATOM 1450 C CA . GLU A 1 181 ? -55.577 -10.643 39.399 1.00 55.03 ? 181 GLU A CA 1 +ATOM 1451 C C . GLU A 1 181 ? -55.786 -10.696 40.909 1.00 51.75 ? 181 GLU A C 1 +ATOM 1452 O O . GLU A 1 181 ? -56.203 -9.718 41.525 1.00 51.82 ? 181 GLU A O 1 +ATOM 1453 C CB . GLU A 1 181 ? -54.142 -11.044 39.001 1.00 55.66 ? 181 GLU A CB 1 +ATOM 1454 C CG . GLU A 1 181 ? -53.037 -10.118 39.465 1.00 63.27 ? 181 GLU A CG 1 +ATOM 1455 C CD . GLU A 1 181 ? -51.649 -10.667 39.146 1.00 75.69 ? 181 GLU A CD 1 +ATOM 1456 O OE1 . GLU A 1 181 ? -51.357 -11.832 39.496 1.00 79.15 ? 181 GLU A OE1 1 +ATOM 1457 O OE2 . GLU A 1 181 ? -50.843 -9.925 38.547 1.00 86.00 ? 181 GLU A OE2 1 +ATOM 1458 N N . GLY A 1 182 ? -55.516 -11.852 41.496 1.00 49.75 ? 182 GLY A N 1 +ATOM 1459 C CA . GLY A 1 182 ? -55.628 -12.003 42.939 1.00 51.23 ? 182 GLY A CA 1 +ATOM 1460 C C . GLY A 1 182 ? -56.865 -11.315 43.469 1.00 52.32 ? 182 GLY A C 1 +ATOM 1461 O O . GLY A 1 182 ? -57.977 -11.723 43.164 1.00 52.54 ? 182 GLY A O 1 +ATOM 1462 N N . MET A 1 183 ? -56.675 -10.252 44.248 1.00 54.38 ? 183 MET A N 1 +ATOM 1463 C CA . MET A 1 183 ? -57.807 -9.546 44.841 1.00 51.30 ? 183 MET A CA 1 +ATOM 1464 C C . MET A 1 183 ? -58.384 -8.483 43.921 1.00 51.29 ? 183 MET A C 1 +ATOM 1465 O O . MET A 1 183 ? -59.110 -7.600 44.369 1.00 50.62 ? 183 MET A O 1 +ATOM 1466 C CB . MET A 1 183 ? -57.408 -8.928 46.162 1.00 51.70 ? 183 MET A CB 1 +ATOM 1467 C CG . MET A 1 183 ? -56.673 -9.882 47.063 1.00 54.86 ? 183 MET A CG 1 +ATOM 1468 S SD . MET A 1 183 ? -56.078 -9.028 48.525 1.00 57.81 ? 183 MET A SD 1 +ATOM 1469 C CE . MET A 1 183 ? -54.732 -10.116 48.964 1.00 66.41 ? 183 MET A CE 1 +ATOM 1470 N N . GLN A 1 184 ? -58.048 -8.570 42.636 1.00 50.71 ? 184 GLN A N 1 +ATOM 1471 C CA . GLN A 1 184 ? -58.706 -7.783 41.601 1.00 51.18 ? 184 GLN A CA 1 +ATOM 1472 C C . GLN A 1 184 ? -58.340 -6.307 41.634 1.00 53.27 ? 184 GLN A C 1 +ATOM 1473 O O . GLN A 1 184 ? -58.996 -5.485 40.986 1.00 53.91 ? 184 GLN A O 1 +ATOM 1474 C CB . GLN A 1 184 ? -60.232 -7.951 41.687 1.00 54.62 ? 184 GLN A CB 1 +ATOM 1475 C CG . GLN A 1 184 ? -60.745 -9.409 41.592 1.00 52.54 ? 184 GLN A CG 1 +ATOM 1476 C CD . GLN A 1 184 ? -60.154 -10.166 40.412 1.00 53.78 ? 184 GLN A CD 1 +ATOM 1477 O OE1 . GLN A 1 184 ? -59.231 -10.957 40.584 1.00 59.01 ? 184 GLN A OE1 1 +ATOM 1478 N NE2 . GLN A 1 184 ? -60.668 -9.909 39.205 1.00 47.83 ? 184 GLN A NE2 1 +ATOM 1479 N N . CYS A 1 185 ? -57.286 -5.967 42.371 1.00 54.51 ? 185 CYS A N 1 +ATOM 1480 C CA . CYS A 1 185 ? -56.888 -4.572 42.533 1.00 53.36 ? 185 CYS A CA 1 +ATOM 1481 C C . CYS A 1 185 ? -55.723 -4.192 41.653 1.00 55.08 ? 185 CYS A C 1 +ATOM 1482 O O . CYS A 1 185 ? -55.388 -3.013 41.538 1.00 57.92 ? 185 CYS A O 1 +ATOM 1483 C CB . CYS A 1 185 ? -56.547 -4.281 43.979 1.00 53.24 ? 185 CYS A CB 1 +ATOM 1484 S SG . CYS A 1 185 ? -58.001 -4.199 44.990 1.00 57.10 ? 185 CYS A SG 1 +ATOM 1485 N N . SER A 1 186 ? -55.101 -5.190 41.035 1.00 55.14 ? 186 SER A N 1 +ATOM 1486 C CA . SER A 1 186 ? -54.059 -4.945 40.044 1.00 55.02 ? 186 SER A CA 1 +ATOM 1487 C C . SER A 1 186 ? -54.233 -5.911 38.891 1.00 54.32 ? 186 SER A C 1 +ATOM 1488 O O . SER A 1 186 ? -54.799 -6.986 39.056 1.00 54.66 ? 186 SER A O 1 +ATOM 1489 C CB . SER A 1 186 ? -52.672 -5.108 40.663 1.00 54.55 ? 186 SER A CB 1 +ATOM 1490 O OG . SER A 1 186 ? -52.555 -6.373 41.281 1.00 50.29 ? 186 SER A OG 1 +ATOM 1491 N N . CYS A 1 187 ? -53.727 -5.531 37.729 1.00 54.54 ? 187 CYS A N 1 +ATOM 1492 C CA . CYS A 1 187 ? -53.904 -6.328 36.526 1.00 56.74 ? 187 CYS A CA 1 +ATOM 1493 C C . CYS A 1 187 ? -52.615 -6.994 36.044 1.00 57.52 ? 187 CYS A C 1 +ATOM 1494 O O . CYS A 1 187 ? -51.594 -6.338 35.878 1.00 62.15 ? 187 CYS A O 1 +ATOM 1495 C CB . CYS A 1 187 ? -54.447 -5.438 35.421 1.00 56.94 ? 187 CYS A CB 1 +ATOM 1496 S SG . CYS A 1 187 ? -56.132 -4.887 35.677 1.00 60.71 ? 187 CYS A SG 1 +ATOM 1497 N N . GLY A 1 188 ? -52.669 -8.294 35.797 1.00 57.46 ? 188 GLY A N 1 +ATOM 1498 C CA . GLY A 1 188 ? -51.520 -9.016 35.265 1.00 60.03 ? 188 GLY A CA 1 +ATOM 1499 C C . GLY A 1 188 ? -51.838 -9.726 33.963 1.00 60.51 ? 188 GLY A C 1 +ATOM 1500 O O . GLY A 1 188 ? -52.844 -9.450 33.339 1.00 61.53 ? 188 GLY A O 1 +ATOM 1501 N N . ILE A 1 189 ? -50.964 -10.635 33.551 1.00 63.07 ? 189 ILE A N 1 +ATOM 1502 C CA . ILE A 1 189 ? -51.194 -11.462 32.373 1.00 63.61 ? 189 ILE A CA 1 +ATOM 1503 C C . ILE A 1 189 ? -52.112 -12.603 32.765 1.00 66.21 ? 189 ILE A C 1 +ATOM 1504 O O . ILE A 1 189 ? -51.926 -13.205 33.825 1.00 65.33 ? 189 ILE A O 1 +ATOM 1505 C CB . ILE A 1 189 ? -49.883 -12.099 31.868 1.00 63.29 ? 189 ILE A CB 1 +ATOM 1506 C CG1 . ILE A 1 189 ? -49.172 -11.192 30.870 1.00 61.69 ? 189 ILE A CG1 1 +ATOM 1507 C CG2 . ILE A 1 189 ? -50.147 -13.439 31.222 1.00 59.96 ? 189 ILE A CG2 1 +ATOM 1508 C CD1 . ILE A 1 189 ? -47.742 -11.626 30.628 1.00 60.45 ? 189 ILE A CD1 1 +ATOM 1509 N N . ASP A 1 190 ? -53.091 -12.898 31.907 1.00 68.44 ? 190 ASP A N 1 +ATOM 1510 C CA . ASP A 1 190 ? -53.985 -14.034 32.115 1.00 67.18 ? 190 ASP A CA 1 +ATOM 1511 C C . ASP A 1 190 ? -53.297 -15.335 31.699 1.00 68.61 ? 190 ASP A C 1 +ATOM 1512 O O . ASP A 1 190 ? -53.086 -15.598 30.506 1.00 71.04 ? 190 ASP A O 1 +ATOM 1513 C CB . ASP A 1 190 ? -55.298 -13.855 31.353 1.00 65.11 ? 190 ASP A CB 1 +ATOM 1514 C CG . ASP A 1 190 ? -56.259 -15.005 31.587 1.00 63.79 ? 190 ASP A CG 1 +ATOM 1515 O OD1 . ASP A 1 190 ? -55.887 -15.933 32.354 1.00 54.47 ? 190 ASP A OD1 1 +ATOM 1516 O OD2 . ASP A 1 190 ? -57.373 -14.983 31.007 1.00 57.93 ? 190 ASP A OD2 1 +ATOM 1517 N N . TYR A 1 191 ? -52.951 -16.138 32.696 1.00 67.19 ? 191 TYR A N 1 +ATOM 1518 C CA . TYR A 1 191 ? -52.178 -17.352 32.487 1.00 65.98 ? 191 TYR A CA 1 +ATOM 1519 C C . TYR A 1 191 ? -52.846 -18.508 33.215 1.00 68.21 ? 191 TYR A C 1 +ATOM 1520 O O . TYR A 1 191 ? -52.277 -19.590 33.310 1.00 70.04 ? 191 TYR A O 1 +ATOM 1521 C CB . TYR A 1 191 ? -50.738 -17.171 33.015 1.00 64.02 ? 191 TYR A CB 1 +ATOM 1522 C CG . TYR A 1 191 ? -50.648 -17.002 34.522 1.00 56.10 ? 191 TYR A CG 1 +ATOM 1523 C CD1 . TYR A 1 191 ? -50.578 -18.105 35.365 1.00 52.84 ? 191 TYR A CD1 1 +ATOM 1524 C CD2 . TYR A 1 191 ? -50.666 -15.741 35.099 1.00 52.94 ? 191 TYR A CD2 1 +ATOM 1525 C CE1 . TYR A 1 191 ? -50.514 -17.956 36.748 1.00 55.50 ? 191 TYR A CE1 1 +ATOM 1526 C CE2 . TYR A 1 191 ? -50.603 -15.576 36.474 1.00 51.91 ? 191 TYR A CE2 1 +ATOM 1527 C CZ . TYR A 1 191 ? -50.525 -16.684 37.294 1.00 57.12 ? 191 TYR A CZ 1 +ATOM 1528 O OH . TYR A 1 191 ? -50.462 -16.520 38.661 1.00 61.54 ? 191 TYR A OH 1 +ATOM 1529 N N . TYR A 1 192 ? -54.046 -18.274 33.739 1.00 69.45 ? 192 TYR A N 1 +ATOM 1530 C CA . TYR A 1 192 ? -54.719 -19.255 34.588 1.00 72.96 ? 192 TYR A CA 1 +ATOM 1531 C C . TYR A 1 192 ? -56.134 -19.534 34.085 1.00 74.99 ? 192 TYR A C 1 +ATOM 1532 O O . TYR A 1 192 ? -56.825 -20.437 34.564 1.00 76.96 ? 192 TYR A O 1 +ATOM 1533 C CB . TYR A 1 192 ? -54.749 -18.771 36.049 1.00 72.83 ? 192 TYR A CB 1 +ATOM 1534 C CG . TYR A 1 192 ? -55.075 -17.295 36.209 1.00 75.91 ? 192 TYR A CG 1 +ATOM 1535 C CD1 . TYR A 1 192 ? -54.061 -16.337 36.191 1.00 71.88 ? 192 TYR A CD1 1 +ATOM 1536 C CD2 . TYR A 1 192 ? -56.393 -16.858 36.368 1.00 72.97 ? 192 TYR A CD2 1 +ATOM 1537 C CE1 . TYR A 1 192 ? -54.341 -14.992 36.330 1.00 72.88 ? 192 TYR A CE1 1 +ATOM 1538 C CE2 . TYR A 1 192 ? -56.685 -15.503 36.505 1.00 78.84 ? 192 TYR A CE2 1 +ATOM 1539 C CZ . TYR A 1 192 ? -55.650 -14.574 36.489 1.00 81.34 ? 192 TYR A CZ 1 +ATOM 1540 O OH . TYR A 1 192 ? -55.908 -13.222 36.628 1.00 83.74 ? 192 TYR A OH 1 +ATOM 1541 N N . THR A 1 193 ? -56.556 -18.742 33.115 1.00 76.66 ? 193 THR A N 1 +ATOM 1542 C CA . THR A 1 193 ? -57.884 -18.857 32.548 1.00 78.67 ? 193 THR A CA 1 +ATOM 1543 C C . THR A 1 193 ? -57.780 -19.388 31.125 1.00 81.75 ? 193 THR A C 1 +ATOM 1544 O O . THR A 1 193 ? -57.107 -18.786 30.275 1.00 82.39 ? 193 THR A O 1 +ATOM 1545 C CB . THR A 1 193 ? -58.609 -17.488 32.584 1.00 78.55 ? 193 THR A CB 1 +ATOM 1546 O OG1 . THR A 1 193 ? -59.428 -17.426 33.756 1.00 80.94 ? 193 THR A OG1 1 +ATOM 1547 C CG2 . THR A 1 193 ? -59.464 -17.263 31.350 1.00 70.87 ? 193 THR A CG2 1 +ATOM 1548 N N . PRO A 1 194 ? -58.434 -20.534 30.863 1.00 83.77 ? 194 PRO A N 1 +ATOM 1549 C CA . PRO A 1 194 ? -58.458 -21.113 29.514 1.00 82.64 ? 194 PRO A CA 1 +ATOM 1550 C C . PRO A 1 194 ? -59.361 -20.258 28.641 1.00 81.33 ? 194 PRO A C 1 +ATOM 1551 O O . PRO A 1 194 ? -60.579 -20.421 28.677 1.00 84.55 ? 194 PRO A O 1 +ATOM 1552 C CB . PRO A 1 194 ? -59.091 -22.480 29.743 1.00 83.28 ? 194 PRO A CB 1 +ATOM 1553 C CG . PRO A 1 194 ? -60.011 -22.260 30.933 1.00 83.34 ? 194 PRO A CG 1 +ATOM 1554 C CD . PRO A 1 194 ? -59.312 -21.258 31.806 1.00 82.77 ? 194 PRO A CD 1 +ATOM 1555 N N . HIS A 1 195 ? -58.776 -19.325 27.902 1.00 77.19 ? 195 HIS A N 1 +ATOM 1556 C CA . HIS A 1 195 ? -59.563 -18.355 27.164 1.00 76.53 ? 195 HIS A CA 1 +ATOM 1557 C C . HIS A 1 195 ? -59.139 -18.384 25.704 1.00 78.20 ? 195 HIS A C 1 +ATOM 1558 O O . HIS A 1 195 ? -58.227 -17.663 25.288 1.00 76.69 ? 195 HIS A O 1 +ATOM 1559 C CB . HIS A 1 195 ? -59.411 -16.961 27.778 1.00 75.53 ? 195 HIS A CB 1 +ATOM 1560 C CG . HIS A 1 195 ? -60.293 -15.915 27.162 1.00 78.07 ? 195 HIS A CG 1 +ATOM 1561 N ND1 . HIS A 1 195 ? -59.842 -15.027 26.205 1.00 79.55 ? 195 HIS A ND1 1 +ATOM 1562 C CD2 . HIS A 1 195 ? -61.591 -15.599 27.383 1.00 76.63 ? 195 HIS A CD2 1 +ATOM 1563 C CE1 . HIS A 1 195 ? -60.827 -14.217 25.856 1.00 72.01 ? 195 HIS A CE1 1 +ATOM 1564 N NE2 . HIS A 1 195 ? -61.900 -14.545 26.555 1.00 75.41 ? 195 HIS A NE2 1 +ATOM 1565 N N . GLU A 1 196 ? -59.830 -19.228 24.937 1.00 80.65 ? 196 GLU A N 1 +ATOM 1566 C CA . GLU A 1 196 ? -59.454 -19.570 23.563 1.00 81.96 ? 196 GLU A CA 1 +ATOM 1567 C C . GLU A 1 196 ? -59.385 -18.386 22.600 1.00 80.96 ? 196 GLU A C 1 +ATOM 1568 O O . GLU A 1 196 ? -58.483 -18.325 21.769 1.00 82.94 ? 196 GLU A O 1 +ATOM 1569 C CB . GLU A 1 196 ? -60.387 -20.654 23.000 1.00 83.87 ? 196 GLU A CB 1 +ATOM 1570 C CG . GLU A 1 196 ? -60.180 -22.055 23.593 1.00 91.60 ? 196 GLU A CG 1 +ATOM 1571 C CD . GLU A 1 196 ? -60.802 -22.230 24.980 1.00 102.50 ? 196 GLU A CD 1 +ATOM 1572 O OE1 . GLU A 1 196 ? -61.458 -21.286 25.483 1.00 106.87 ? 196 GLU A OE1 1 +ATOM 1573 O OE2 . GLU A 1 196 ? -60.636 -23.321 25.570 1.00 104.91 ? 196 GLU A OE2 1 +ATOM 1574 N N . GLU A 1 197 ? -60.322 -17.449 22.705 1.00 79.04 ? 197 GLU A N 1 +ATOM 1575 C CA . GLU A 1 197 ? -60.378 -16.335 21.757 1.00 79.45 ? 197 GLU A CA 1 +ATOM 1576 C C . GLU A 1 197 ? -59.067 -15.552 21.703 1.00 77.81 ? 197 GLU A C 1 +ATOM 1577 O O . GLU A 1 197 ? -58.844 -14.786 20.768 1.00 78.26 ? 197 GLU A O 1 +ATOM 1578 C CB . GLU A 1 197 ? -61.554 -15.392 22.057 1.00 80.01 ? 197 GLU A CB 1 +ATOM 1579 C CG . GLU A 1 197 ? -62.911 -16.083 22.210 1.00 87.75 ? 197 GLU A CG 1 +ATOM 1580 C CD . GLU A 1 197 ? -63.186 -16.560 23.644 1.00 101.09 ? 197 GLU A CD 1 +ATOM 1581 O OE1 . GLU A 1 197 ? -62.392 -17.368 24.190 1.00 99.25 ? 197 GLU A OE1 1 +ATOM 1582 O OE2 . GLU A 1 197 ? -64.209 -16.128 24.228 1.00 105.01 ? 197 GLU A OE2 1 +ATOM 1583 N N . THR A 1 198 ? -58.207 -15.748 22.704 1.00 77.48 ? 198 THR A N 1 +ATOM 1584 C CA . THR A 1 198 ? -56.920 -15.031 22.796 1.00 74.24 ? 198 THR A CA 1 +ATOM 1585 C C . THR A 1 198 ? -55.707 -15.964 22.839 1.00 74.54 ? 198 THR A C 1 +ATOM 1586 O O . THR A 1 198 ? -54.566 -15.501 22.773 1.00 75.25 ? 198 THR A O 1 +ATOM 1587 C CB . THR A 1 198 ? -56.866 -14.060 24.012 1.00 73.06 ? 198 THR A CB 1 +ATOM 1588 O OG1 . THR A 1 198 ? -57.508 -14.659 25.146 1.00 71.09 ? 198 THR A OG1 1 +ATOM 1589 C CG2 . THR A 1 198 ? -57.548 -12.745 23.683 1.00 61.95 ? 198 THR A CG2 1 +ATOM 1590 N N . ASN A 1 199 ? -55.965 -17.268 22.958 1.00 73.19 ? 199 ASN A N 1 +ATOM 1591 C CA . ASN A 1 199 ? -54.928 -18.299 22.886 1.00 73.22 ? 199 ASN A CA 1 +ATOM 1592 C C . ASN A 1 199 ? -54.024 -18.353 24.096 1.00 74.54 ? 199 ASN A C 1 +ATOM 1593 O O . ASN A 1 199 ? -52.810 -18.533 23.973 1.00 74.10 ? 199 ASN A O 1 +ATOM 1594 C CB . ASN A 1 199 ? -54.074 -18.114 21.640 1.00 74.78 ? 199 ASN A CB 1 +ATOM 1595 C CG . ASN A 1 199 ? -54.824 -18.432 20.385 1.00 71.28 ? 199 ASN A CG 1 +ATOM 1596 O OD1 . ASN A 1 199 ? -55.070 -17.555 19.558 1.00 66.11 ? 199 ASN A OD1 1 +ATOM 1597 N ND2 . ASN A 1 199 ? -55.218 -19.689 20.242 1.00 72.19 ? 199 ASN A ND2 1 +ATOM 1598 N N . ASN A 1 200 ? -54.628 -18.211 25.266 1.00 75.44 ? 200 ASN A N 1 +ATOM 1599 C CA . ASN A 1 200 ? -53.885 -18.195 26.511 1.00 74.11 ? 200 ASN A CA 1 +ATOM 1600 C C . ASN A 1 200 ? -52.933 -19.369 26.663 1.00 74.72 ? 200 ASN A C 1 +ATOM 1601 O O . ASN A 1 200 ? -51.797 -19.194 27.091 1.00 78.50 ? 200 ASN A O 1 +ATOM 1602 C CB . ASN A 1 200 ? -54.839 -18.090 27.698 1.00 72.03 ? 200 ASN A CB 1 +ATOM 1603 C CG . ASN A 1 200 ? -55.534 -16.741 27.757 1.00 69.28 ? 200 ASN A CG 1 +ATOM 1604 O OD1 . ASN A 1 200 ? -55.439 -15.930 26.821 1.00 60.07 ? 200 ASN A OD1 1 +ATOM 1605 N ND2 . ASN A 1 200 ? -56.236 -16.489 28.855 1.00 62.72 ? 200 ASN A ND2 1 +ATOM 1606 N N . GLU A 1 201 ? -53.382 -20.558 26.289 1.00 75.18 ? 201 GLU A N 1 +ATOM 1607 C CA . GLU A 1 201 ? -52.568 -21.753 26.468 1.00 76.46 ? 201 GLU A CA 1 +ATOM 1608 C C . GLU A 1 201 ? -51.197 -21.670 25.771 1.00 76.06 ? 201 GLU A C 1 +ATOM 1609 O O . GLU A 1 201 ? -50.161 -21.913 26.399 1.00 76.95 ? 201 GLU A O 1 +ATOM 1610 C CB . GLU A 1 201 ? -53.340 -22.997 26.035 1.00 76.17 ? 201 GLU A CB 1 +ATOM 1611 C CG . GLU A 1 201 ? -52.476 -24.223 25.902 1.00 82.03 ? 201 GLU A CG 1 +ATOM 1612 C CD . GLU A 1 201 ? -53.202 -25.483 26.281 1.00 89.71 ? 201 GLU A CD 1 +ATOM 1613 O OE1 . GLU A 1 201 ? -53.826 -25.507 27.366 1.00 93.63 ? 201 GLU A OE1 1 +ATOM 1614 O OE2 . GLU A 1 201 ? -53.132 -26.451 25.497 1.00 92.94 ? 201 GLU A OE2 1 +ATOM 1615 N N . SER A 1 202 ? -51.186 -21.320 24.487 1.00 73.58 ? 202 SER A N 1 +ATOM 1616 C CA . SER A 1 202 ? -49.925 -21.220 23.759 1.00 71.38 ? 202 SER A CA 1 +ATOM 1617 C C . SER A 1 202 ? -49.028 -20.113 24.340 1.00 72.28 ? 202 SER A C 1 +ATOM 1618 O O . SER A 1 202 ? -47.804 -20.274 24.419 1.00 74.31 ? 202 SER A O 1 +ATOM 1619 C CB . SER A 1 202 ? -50.164 -21.011 22.263 1.00 68.25 ? 202 SER A CB 1 +ATOM 1620 O OG . SER A 1 202 ? -50.648 -19.710 22.000 1.00 68.79 ? 202 SER A OG 1 +ATOM 1621 N N . PHE A 1 203 ? -49.640 -19.004 24.759 1.00 69.94 ? 203 PHE A N 1 +ATOM 1622 C CA . PHE A 1 203 ? -48.910 -17.905 25.403 1.00 65.44 ? 203 PHE A CA 1 +ATOM 1623 C C . PHE A 1 203 ? -48.244 -18.355 26.714 1.00 62.33 ? 203 PHE A C 1 +ATOM 1624 O O . PHE A 1 203 ? -47.088 -18.045 26.966 1.00 58.65 ? 203 PHE A O 1 +ATOM 1625 C CB . PHE A 1 203 ? -49.834 -16.712 25.640 1.00 62.39 ? 203 PHE A CB 1 +ATOM 1626 C CG . PHE A 1 203 ? -49.117 -15.453 26.026 1.00 64.95 ? 203 PHE A CG 1 +ATOM 1627 C CD1 . PHE A 1 203 ? -48.669 -14.569 25.053 1.00 64.64 ? 203 PHE A CD1 1 +ATOM 1628 C CD2 . PHE A 1 203 ? -48.899 -15.142 27.371 1.00 65.21 ? 203 PHE A CD2 1 +ATOM 1629 C CE1 . PHE A 1 203 ? -48.010 -13.391 25.412 1.00 67.80 ? 203 PHE A CE1 1 +ATOM 1630 C CE2 . PHE A 1 203 ? -48.247 -13.970 27.745 1.00 54.27 ? 203 PHE A CE2 1 +ATOM 1631 C CZ . PHE A 1 203 ? -47.800 -13.091 26.767 1.00 66.10 ? 203 PHE A CZ 1 +ATOM 1632 N N . VAL A 1 204 ? -48.966 -19.107 27.532 1.00 61.83 ? 204 VAL A N 1 +ATOM 1633 C CA . VAL A 1 204 ? -48.409 -19.579 28.793 1.00 64.25 ? 204 VAL A CA 1 +ATOM 1634 C C . VAL A 1 204 ? -47.188 -20.468 28.542 1.00 65.46 ? 204 VAL A C 1 +ATOM 1635 O O . VAL A 1 204 ? -46.196 -20.402 29.273 1.00 65.62 ? 204 VAL A O 1 +ATOM 1636 C CB . VAL A 1 204 ? -49.461 -20.329 29.652 1.00 63.47 ? 204 VAL A CB 1 +ATOM 1637 C CG1 . VAL A 1 204 ? -48.886 -20.689 31.019 1.00 61.51 ? 204 VAL A CG1 1 +ATOM 1638 C CG2 . VAL A 1 204 ? -50.703 -19.475 29.820 1.00 66.96 ? 204 VAL A CG2 1 +ATOM 1639 N N . ILE A 1 205 ? -47.265 -21.299 27.507 1.00 66.05 ? 205 ILE A N 1 +ATOM 1640 C CA . ILE A 1 205 ? -46.150 -22.165 27.154 1.00 66.12 ? 205 ILE A CA 1 +ATOM 1641 C C . ILE A 1 205 ? -44.975 -21.292 26.709 1.00 63.01 ? 205 ILE A C 1 +ATOM 1642 O O . ILE A 1 205 ? -43.852 -21.451 27.194 1.00 61.77 ? 205 ILE A O 1 +ATOM 1643 C CB . ILE A 1 205 ? -46.554 -23.202 26.071 1.00 69.33 ? 205 ILE A CB 1 +ATOM 1644 C CG1 . ILE A 1 205 ? -47.351 -24.349 26.705 1.00 73.62 ? 205 ILE A CG1 1 +ATOM 1645 C CG2 . ILE A 1 205 ? -45.327 -23.769 25.351 1.00 70.80 ? 205 ILE A CG2 1 +ATOM 1646 C CD1 . ILE A 1 205 ? -48.334 -25.024 25.745 1.00 75.60 ? 205 ILE A CD1 1 +ATOM 1647 N N . TYR A 1 206 ? -45.252 -20.351 25.814 1.00 58.09 ? 206 TYR A N 1 +ATOM 1648 C CA . TYR A 1 206 ? -44.245 -19.410 25.359 1.00 57.55 ? 206 TYR A CA 1 +ATOM 1649 C C . TYR A 1 206 ? -43.563 -18.675 26.523 1.00 59.86 ? 206 TYR A C 1 +ATOM 1650 O O . TYR A 1 206 ? -42.335 -18.660 26.605 1.00 62.30 ? 206 TYR A O 1 +ATOM 1651 C CB . TYR A 1 206 ? -44.867 -18.448 24.357 1.00 56.19 ? 206 TYR A CB 1 +ATOM 1652 C CG . TYR A 1 206 ? -44.143 -17.139 24.178 1.00 59.45 ? 206 TYR A CG 1 +ATOM 1653 C CD1 . TYR A 1 206 ? -42.874 -17.091 23.605 1.00 59.55 ? 206 TYR A CD1 1 +ATOM 1654 C CD2 . TYR A 1 206 ? -44.747 -15.936 24.547 1.00 60.57 ? 206 TYR A CD2 1 +ATOM 1655 C CE1 . TYR A 1 206 ? -42.211 -15.874 23.426 1.00 55.26 ? 206 TYR A CE1 1 +ATOM 1656 C CE2 . TYR A 1 206 ? -44.096 -14.715 24.365 1.00 59.21 ? 206 TYR A CE2 1 +ATOM 1657 C CZ . TYR A 1 206 ? -42.828 -14.694 23.808 1.00 53.78 ? 206 TYR A CZ 1 +ATOM 1658 O OH . TYR A 1 206 ? -42.179 -13.491 23.633 1.00 55.22 ? 206 TYR A OH 1 +ATOM 1659 N N . MET A 1 207 ? -44.354 -18.091 27.426 1.00 60.13 ? 207 MET A N 1 +ATOM 1660 C CA . MET A 1 207 ? -43.824 -17.437 28.633 1.00 58.12 ? 207 MET A CA 1 +ATOM 1661 C C . MET A 1 207 ? -42.929 -18.355 29.450 1.00 57.31 ? 207 MET A C 1 +ATOM 1662 O O . MET A 1 207 ? -41.793 -18.003 29.777 1.00 57.54 ? 207 MET A O 1 +ATOM 1663 C CB . MET A 1 207 ? -44.955 -16.932 29.536 1.00 58.44 ? 207 MET A CB 1 +ATOM 1664 C CG . MET A 1 207 ? -45.690 -15.725 28.993 1.00 61.29 ? 207 MET A CG 1 +ATOM 1665 S SD . MET A 1 207 ? -44.591 -14.328 28.723 1.00 77.78 ? 207 MET A SD 1 +ATOM 1666 C CE . MET A 1 207 ? -44.107 -13.973 30.415 1.00 76.13 ? 207 MET A CE 1 +ATOM 1667 N N . PHE A 1 208 ? -43.452 -19.525 29.793 1.00 55.78 ? 208 PHE A N 1 +ATOM 1668 C CA . PHE A 1 208 ? -42.727 -20.475 30.627 1.00 56.13 ? 208 PHE A CA 1 +ATOM 1669 C C . PHE A 1 208 ? -41.425 -20.888 29.972 1.00 59.66 ? 208 PHE A C 1 +ATOM 1670 O O . PHE A 1 208 ? -40.395 -20.988 30.640 1.00 61.75 ? 208 PHE A O 1 +ATOM 1671 C CB . PHE A 1 208 ? -43.580 -21.708 30.864 1.00 54.10 ? 208 PHE A CB 1 +ATOM 1672 C CG . PHE A 1 208 ? -42.986 -22.691 31.817 1.00 48.50 ? 208 PHE A CG 1 +ATOM 1673 C CD1 . PHE A 1 208 ? -43.247 -22.597 33.184 1.00 47.43 ? 208 PHE A CD1 1 +ATOM 1674 C CD2 . PHE A 1 208 ? -42.211 -23.747 31.350 1.00 52.47 ? 208 PHE A CD2 1 +ATOM 1675 C CE1 . PHE A 1 208 ? -42.723 -23.534 34.093 1.00 51.12 ? 208 PHE A CE1 1 +ATOM 1676 C CE2 . PHE A 1 208 ? -41.671 -24.689 32.244 1.00 58.93 ? 208 PHE A CE2 1 +ATOM 1677 C CZ . PHE A 1 208 ? -41.930 -24.580 33.622 1.00 56.51 ? 208 PHE A CZ 1 +ATOM 1678 N N . VAL A 1 209 ? -41.474 -21.135 28.663 1.00 61.11 ? 209 VAL A N 1 +ATOM 1679 C CA . VAL A 1 209 ? -40.297 -21.608 27.943 1.00 59.28 ? 209 VAL A CA 1 +ATOM 1680 C C . VAL A 1 209 ? -39.318 -20.467 27.679 1.00 59.08 ? 209 VAL A C 1 +ATOM 1681 O O . VAL A 1 209 ? -38.184 -20.513 28.156 1.00 62.38 ? 209 VAL A O 1 +ATOM 1682 C CB . VAL A 1 209 ? -40.671 -22.369 26.642 1.00 59.77 ? 209 VAL A CB 1 +ATOM 1683 C CG1 . VAL A 1 209 ? -39.454 -22.545 25.735 1.00 59.15 ? 209 VAL A CG1 1 +ATOM 1684 C CG2 . VAL A 1 209 ? -41.269 -23.729 26.983 1.00 57.22 ? 209 VAL A CG2 1 +ATOM 1685 N N . VAL A 1 210 ? -39.758 -19.442 26.952 1.00 55.68 ? 210 VAL A N 1 +ATOM 1686 C CA . VAL A 1 210 ? -38.864 -18.364 26.536 1.00 54.22 ? 210 VAL A CA 1 +ATOM 1687 C C . VAL A 1 210 ? -38.509 -17.407 27.676 1.00 57.11 ? 210 VAL A C 1 +ATOM 1688 O O . VAL A 1 210 ? -37.402 -16.876 27.719 1.00 60.76 ? 210 VAL A O 1 +ATOM 1689 C CB . VAL A 1 210 ? -39.444 -17.561 25.332 1.00 54.70 ? 210 VAL A CB 1 +ATOM 1690 C CG1 . VAL A 1 210 ? -38.603 -16.317 25.025 1.00 48.15 ? 210 VAL A CG1 1 +ATOM 1691 C CG2 . VAL A 1 210 ? -39.538 -18.439 24.100 1.00 54.76 ? 210 VAL A CG2 1 +ATOM 1692 N N . HIS A 1 211 ? -39.440 -17.181 28.598 1.00 57.23 ? 211 HIS A N 1 +ATOM 1693 C CA . HIS A 1 211 ? -39.249 -16.158 29.621 1.00 53.51 ? 211 HIS A CA 1 +ATOM 1694 C C . HIS A 1 211 ? -38.969 -16.687 31.026 1.00 53.39 ? 211 HIS A C 1 +ATOM 1695 O O . HIS A 1 211 ? -38.731 -15.914 31.947 1.00 53.61 ? 211 HIS A O 1 +ATOM 1696 C CB . HIS A 1 211 ? -40.424 -15.198 29.626 1.00 52.01 ? 211 HIS A CB 1 +ATOM 1697 C CG . HIS A 1 211 ? -40.496 -14.337 28.406 1.00 55.06 ? 211 HIS A CG 1 +ATOM 1698 N ND1 . HIS A 1 211 ? -40.006 -13.051 28.375 1.00 55.55 ? 211 HIS A ND1 1 +ATOM 1699 C CD2 . HIS A 1 211 ? -41.000 -14.577 27.172 1.00 58.31 ? 211 HIS A CD2 1 +ATOM 1700 C CE1 . HIS A 1 211 ? -40.209 -12.532 27.176 1.00 51.21 ? 211 HIS A CE1 1 +ATOM 1701 N NE2 . HIS A 1 211 ? -40.810 -13.437 26.427 1.00 56.52 ? 211 HIS A NE2 1 +ATOM 1702 N N . PHE A 1 212 ? -38.984 -18.001 31.193 1.00 53.51 ? 212 PHE A N 1 +ATOM 1703 C CA . PHE A 1 212 ? -38.513 -18.586 32.441 1.00 54.83 ? 212 PHE A CA 1 +ATOM 1704 C C . PHE A 1 212 ? -37.376 -19.599 32.224 1.00 57.97 ? 212 PHE A C 1 +ATOM 1705 O O . PHE A 1 212 ? -36.272 -19.398 32.731 1.00 58.60 ? 212 PHE A O 1 +ATOM 1706 C CB . PHE A 1 212 ? -39.663 -19.197 33.242 1.00 53.19 ? 212 PHE A CB 1 +ATOM 1707 C CG . PHE A 1 212 ? -39.232 -19.812 34.534 1.00 52.97 ? 212 PHE A CG 1 +ATOM 1708 C CD1 . PHE A 1 212 ? -38.768 -19.015 35.578 1.00 55.79 ? 212 PHE A CD1 1 +ATOM 1709 C CD2 . PHE A 1 212 ? -39.284 -21.185 34.716 1.00 59.04 ? 212 PHE A CD2 1 +ATOM 1710 C CE1 . PHE A 1 212 ? -38.370 -19.578 36.784 1.00 51.68 ? 212 PHE A CE1 1 +ATOM 1711 C CE2 . PHE A 1 212 ? -38.884 -21.762 35.925 1.00 61.86 ? 212 PHE A CE2 1 +ATOM 1712 C CZ . PHE A 1 212 ? -38.426 -20.958 36.958 1.00 56.43 ? 212 PHE A CZ 1 +ATOM 1713 N N . ILE A 1 213 ? -37.633 -20.668 31.463 1.00 59.71 ? 213 ILE A N 1 +ATOM 1714 C CA . ILE A 1 213 ? -36.616 -21.712 31.243 1.00 61.96 ? 213 ILE A CA 1 +ATOM 1715 C C . ILE A 1 213 ? -35.325 -21.173 30.580 1.00 62.14 ? 213 ILE A C 1 +ATOM 1716 O O . ILE A 1 213 ? -34.228 -21.355 31.127 1.00 61.74 ? 213 ILE A O 1 +ATOM 1717 C CB . ILE A 1 213 ? -37.171 -22.953 30.470 1.00 63.95 ? 213 ILE A CB 1 +ATOM 1718 C CG1 . ILE A 1 213 ? -38.386 -23.552 31.183 1.00 61.44 ? 213 ILE A CG1 1 +ATOM 1719 C CG2 . ILE A 1 213 ? -36.090 -24.038 30.339 1.00 60.14 ? 213 ILE A CG2 1 +ATOM 1720 C CD1 . ILE A 1 213 ? -38.026 -24.374 32.411 1.00 58.65 ? 213 ILE A CD1 1 +ATOM 1721 N N . ILE A 1 214 ? -35.450 -20.517 29.424 1.00 59.04 ? 214 ILE A N 1 +ATOM 1722 C CA . ILE A 1 214 ? -34.292 -19.876 28.794 1.00 59.65 ? 214 ILE A CA 1 +ATOM 1723 C C . ILE A 1 214 ? -33.483 -19.043 29.813 1.00 62.08 ? 214 ILE A C 1 +ATOM 1724 O O . ILE A 1 214 ? -32.337 -19.382 30.110 1.00 62.86 ? 214 ILE A O 1 +ATOM 1725 C CB . ILE A 1 214 ? -34.680 -19.006 27.569 1.00 60.30 ? 214 ILE A CB 1 +ATOM 1726 C CG1 . ILE A 1 214 ? -35.491 -19.816 26.535 1.00 62.48 ? 214 ILE A CG1 1 +ATOM 1727 C CG2 . ILE A 1 214 ? -33.449 -18.332 26.970 1.00 48.70 ? 214 ILE A CG2 1 +ATOM 1728 C CD1 . ILE A 1 214 ? -34.697 -20.716 25.631 1.00 56.13 ? 214 ILE A CD1 1 +ATOM 1729 N N . PRO A 1 215 ? -34.077 -17.962 30.366 1.00 64.42 ? 215 PRO A N 1 +ATOM 1730 C CA . PRO A 1 215 ? -33.372 -17.210 31.398 1.00 63.68 ? 215 PRO A CA 1 +ATOM 1731 C C . PRO A 1 215 ? -32.710 -18.102 32.437 1.00 63.67 ? 215 PRO A C 1 +ATOM 1732 O O . PRO A 1 215 ? -31.526 -17.937 32.721 1.00 66.05 ? 215 PRO A O 1 +ATOM 1733 C CB . PRO A 1 215 ? -34.488 -16.390 32.036 1.00 62.55 ? 215 PRO A CB 1 +ATOM 1734 C CG . PRO A 1 215 ? -35.351 -16.064 30.879 1.00 63.06 ? 215 PRO A CG 1 +ATOM 1735 C CD . PRO A 1 215 ? -35.379 -17.337 30.058 1.00 65.01 ? 215 PRO A CD 1 +ATOM 1736 N N . LEU A 1 216 ? -33.459 -19.045 32.991 1.00 63.53 ? 216 LEU A N 1 +ATOM 1737 C CA . LEU A 1 216 ? -32.904 -19.946 33.998 1.00 63.36 ? 216 LEU A CA 1 +ATOM 1738 C C . LEU A 1 216 ? -31.671 -20.695 33.473 1.00 63.01 ? 216 LEU A C 1 +ATOM 1739 O O . LEU A 1 216 ? -30.653 -20.798 34.167 1.00 62.94 ? 216 LEU A O 1 +ATOM 1740 C CB . LEU A 1 216 ? -33.971 -20.927 34.499 1.00 63.31 ? 216 LEU A CB 1 +ATOM 1741 C CG . LEU A 1 216 ? -33.656 -21.582 35.843 1.00 64.60 ? 216 LEU A CG 1 +ATOM 1742 C CD1 . LEU A 1 216 ? -33.244 -20.520 36.835 1.00 69.79 ? 216 LEU A CD1 1 +ATOM 1743 C CD2 . LEU A 1 216 ? -34.834 -22.382 36.372 1.00 59.93 ? 216 LEU A CD2 1 +ATOM 1744 N N . ILE A 1 217 ? -31.762 -21.213 32.248 1.00 61.67 ? 217 ILE A N 1 +ATOM 1745 C CA . ILE A 1 217 ? -30.641 -21.937 31.647 1.00 59.17 ? 217 ILE A CA 1 +ATOM 1746 C C . ILE A 1 217 ? -29.440 -21.006 31.447 1.00 57.50 ? 217 ILE A C 1 +ATOM 1747 O O . ILE A 1 217 ? -28.337 -21.309 31.915 1.00 57.09 ? 217 ILE A O 1 +ATOM 1748 C CB . ILE A 1 217 ? -31.038 -22.656 30.327 1.00 59.47 ? 217 ILE A CB 1 +ATOM 1749 C CG1 . ILE A 1 217 ? -31.826 -23.937 30.632 1.00 59.80 ? 217 ILE A CG1 1 +ATOM 1750 C CG2 . ILE A 1 217 ? -29.803 -22.999 29.497 1.00 58.56 ? 217 ILE A CG2 1 +ATOM 1751 C CD1 . ILE A 1 217 ? -32.563 -24.522 29.424 1.00 48.62 ? 217 ILE A CD1 1 +ATOM 1752 N N . VAL A 1 218 ? -29.659 -19.872 30.779 1.00 52.94 ? 218 VAL A N 1 +ATOM 1753 C CA . VAL A 1 218 ? -28.583 -18.914 30.531 1.00 51.02 ? 218 VAL A CA 1 +ATOM 1754 C C . VAL A 1 218 ? -27.884 -18.457 31.819 1.00 53.39 ? 218 VAL A C 1 +ATOM 1755 O O . VAL A 1 218 ? -26.651 -18.493 31.890 1.00 54.31 ? 218 VAL A O 1 +ATOM 1756 C CB . VAL A 1 218 ? -29.062 -17.712 29.709 1.00 51.14 ? 218 VAL A CB 1 +ATOM 1757 C CG1 . VAL A 1 218 ? -27.944 -16.692 29.535 1.00 47.13 ? 218 VAL A CG1 1 +ATOM 1758 C CG2 . VAL A 1 218 ? -29.566 -18.176 28.358 1.00 52.72 ? 218 VAL A CG2 1 +ATOM 1759 N N . ILE A 1 219 ? -28.654 -18.053 32.835 1.00 53.44 ? 219 ILE A N 1 +ATOM 1760 C CA . ILE A 1 219 ? -28.062 -17.686 34.135 1.00 54.40 ? 219 ILE A CA 1 +ATOM 1761 C C . ILE A 1 219 ? -27.206 -18.802 34.733 1.00 54.57 ? 219 ILE A C 1 +ATOM 1762 O O . ILE A 1 219 ? -26.083 -18.553 35.147 1.00 55.24 ? 219 ILE A O 1 +ATOM 1763 C CB . ILE A 1 219 ? -29.102 -17.179 35.190 1.00 54.72 ? 219 ILE A CB 1 +ATOM 1764 C CG1 . ILE A 1 219 ? -29.680 -15.825 34.773 1.00 54.77 ? 219 ILE A CG1 1 +ATOM 1765 C CG2 . ILE A 1 219 ? -28.455 -17.009 36.566 1.00 46.58 ? 219 ILE A CG2 1 +ATOM 1766 C CD1 . ILE A 1 219 ? -30.965 -15.453 35.492 1.00 48.18 ? 219 ILE A CD1 1 +ATOM 1767 N N . PHE A 1 220 ? -27.728 -20.024 34.767 1.00 57.27 ? 220 PHE A N 1 +ATOM 1768 C CA . PHE A 1 220 ? -26.997 -21.160 35.353 1.00 60.70 ? 220 PHE A CA 1 +ATOM 1769 C C . PHE A 1 220 ? -25.706 -21.513 34.609 1.00 59.84 ? 220 PHE A C 1 +ATOM 1770 O O . PHE A 1 220 ? -24.667 -21.758 35.224 1.00 57.48 ? 220 PHE A O 1 +ATOM 1771 C CB . PHE A 1 220 ? -27.899 -22.395 35.494 1.00 59.67 ? 220 PHE A CB 1 +ATOM 1772 C CG . PHE A 1 220 ? -28.443 -22.584 36.882 1.00 68.80 ? 220 PHE A CG 1 +ATOM 1773 C CD1 . PHE A 1 220 ? -29.643 -21.987 37.267 1.00 76.20 ? 220 PHE A CD1 1 +ATOM 1774 C CD2 . PHE A 1 220 ? -27.746 -23.349 37.818 1.00 73.63 ? 220 PHE A CD2 1 +ATOM 1775 C CE1 . PHE A 1 220 ? -30.149 -22.163 38.560 1.00 77.04 ? 220 PHE A CE1 1 +ATOM 1776 C CE2 . PHE A 1 220 ? -28.241 -23.529 39.113 1.00 66.88 ? 220 PHE A CE2 1 +ATOM 1777 C CZ . PHE A 1 220 ? -29.444 -22.938 39.481 1.00 73.70 ? 220 PHE A CZ 1 +ATOM 1778 N N . PHE A 1 221 ? -25.777 -21.536 33.285 1.00 61.54 ? 221 PHE A N 1 +ATOM 1779 C CA . PHE A 1 221 ? -24.600 -21.791 32.479 1.00 61.96 ? 221 PHE A CA 1 +ATOM 1780 C C . PHE A 1 221 ? -23.542 -20.739 32.808 1.00 63.49 ? 221 PHE A C 1 +ATOM 1781 O O . PHE A 1 221 ? -22.482 -21.064 33.350 1.00 64.25 ? 221 PHE A O 1 +ATOM 1782 C CB . PHE A 1 221 ? -24.960 -21.761 30.996 1.00 61.26 ? 221 PHE A CB 1 +ATOM 1783 C CG . PHE A 1 221 ? -23.786 -21.928 30.089 1.00 63.03 ? 221 PHE A CG 1 +ATOM 1784 C CD1 . PHE A 1 221 ? -23.198 -23.183 29.917 1.00 62.35 ? 221 PHE A CD1 1 +ATOM 1785 C CD2 . PHE A 1 221 ? -23.265 -20.835 29.398 1.00 58.36 ? 221 PHE A CD2 1 +ATOM 1786 C CE1 . PHE A 1 221 ? -22.100 -23.346 29.073 1.00 57.12 ? 221 PHE A CE1 1 +ATOM 1787 C CE2 . PHE A 1 221 ? -22.169 -20.984 28.550 1.00 59.43 ? 221 PHE A CE2 1 +ATOM 1788 C CZ . PHE A 1 221 ? -21.583 -22.243 28.388 1.00 59.18 ? 221 PHE A CZ 1 +ATOM 1789 N N . CYS A 1 222 ? -23.853 -19.476 32.513 1.00 62.00 ? 222 CYS A N 1 +ATOM 1790 C CA . CYS A 1 222 ? -22.931 -18.366 32.745 1.00 60.12 ? 222 CYS A CA 1 +ATOM 1791 C C . CYS A 1 222 ? -22.295 -18.318 34.127 1.00 58.54 ? 222 CYS A C 1 +ATOM 1792 O O . CYS A 1 222 ? -21.075 -18.266 34.242 1.00 59.40 ? 222 CYS A O 1 +ATOM 1793 C CB . CYS A 1 222 ? -23.626 -17.047 32.497 1.00 60.72 ? 222 CYS A CB 1 +ATOM 1794 S SG . CYS A 1 222 ? -24.028 -16.808 30.802 1.00 66.92 ? 222 CYS A SG 1 +ATOM 1795 N N . TYR A 1 223 ? -23.107 -18.298 35.176 1.00 56.22 ? 223 TYR A N 1 +ATOM 1796 C CA . TYR A 1 223 ? -22.548 -18.149 36.509 1.00 54.37 ? 223 TYR A CA 1 +ATOM 1797 C C . TYR A 1 223 ? -21.845 -19.422 36.936 1.00 55.18 ? 223 TYR A C 1 +ATOM 1798 O O . TYR A 1 223 ? -20.858 -19.364 37.665 1.00 56.89 ? 223 TYR A O 1 +ATOM 1799 C CB . TYR A 1 223 ? -23.593 -17.681 37.537 1.00 53.97 ? 223 TYR A CB 1 +ATOM 1800 C CG . TYR A 1 223 ? -23.919 -16.189 37.482 1.00 51.05 ? 223 TYR A CG 1 +ATOM 1801 C CD1 . TYR A 1 223 ? -25.214 -15.723 37.726 1.00 44.94 ? 223 TYR A CD1 1 +ATOM 1802 C CD2 . TYR A 1 223 ? -22.935 -15.244 37.184 1.00 48.33 ? 223 TYR A CD2 1 +ATOM 1803 C CE1 . TYR A 1 223 ? -25.517 -14.356 37.684 1.00 35.18 ? 223 TYR A CE1 1 +ATOM 1804 C CE2 . TYR A 1 223 ? -23.233 -13.877 37.129 1.00 45.62 ? 223 TYR A CE2 1 +ATOM 1805 C CZ . TYR A 1 223 ? -24.522 -13.443 37.380 1.00 42.54 ? 223 TYR A CZ 1 +ATOM 1806 O OH . TYR A 1 223 ? -24.809 -12.098 37.325 1.00 43.88 ? 223 TYR A OH 1 +ATOM 1807 N N . GLY A 1 224 ? -22.334 -20.569 36.463 1.00 56.34 ? 224 GLY A N 1 +ATOM 1808 C CA . GLY A 1 224 ? -21.626 -21.846 36.648 1.00 56.29 ? 224 GLY A CA 1 +ATOM 1809 C C . GLY A 1 224 ? -20.220 -21.779 36.055 1.00 57.37 ? 224 GLY A C 1 +ATOM 1810 O O . GLY A 1 224 ? -19.232 -22.098 36.714 1.00 56.38 ? 224 GLY A O 1 +ATOM 1811 N N . GLN A 1 225 ? -20.130 -21.344 34.804 1.00 56.40 ? 225 GLN A N 1 +ATOM 1812 C CA . GLN A 1 225 ? -18.842 -21.069 34.189 1.00 58.59 ? 225 GLN A CA 1 +ATOM 1813 C C . GLN A 1 225 ? -17.963 -20.150 35.052 1.00 58.92 ? 225 GLN A C 1 +ATOM 1814 O O . GLN A 1 225 ? -16.813 -20.465 35.354 1.00 60.01 ? 225 GLN A O 1 +ATOM 1815 C CB . GLN A 1 225 ? -19.048 -20.453 32.801 1.00 58.26 ? 225 GLN A CB 1 +ATOM 1816 C CG . GLN A 1 225 ? -19.655 -21.409 31.790 1.00 64.09 ? 225 GLN A CG 1 +ATOM 1817 C CD . GLN A 1 225 ? -18.798 -22.650 31.569 1.00 70.20 ? 225 GLN A CD 1 +ATOM 1818 O OE1 . GLN A 1 225 ? -17.834 -22.896 32.299 1.00 71.55 ? 225 GLN A OE1 1 +ATOM 1819 N NE2 . GLN A 1 225 ? -19.146 -23.435 30.557 1.00 65.02 ? 225 GLN A NE2 1 +ATOM 1820 N N . LEU A 1 226 ? -18.515 -19.008 35.433 1.00 60.28 ? 226 LEU A N 1 +ATOM 1821 C CA . LEU A 1 226 ? -17.792 -18.027 36.224 1.00 59.46 ? 226 LEU A CA 1 +ATOM 1822 C C . LEU A 1 226 ? -17.258 -18.651 37.512 1.00 60.27 ? 226 LEU A C 1 +ATOM 1823 O O . LEU A 1 226 ? -16.092 -18.472 37.857 1.00 61.52 ? 226 LEU A O 1 +ATOM 1824 C CB . LEU A 1 226 ? -18.692 -16.822 36.525 1.00 57.18 ? 226 LEU A CB 1 +ATOM 1825 C CG . LEU A 1 226 ? -17.972 -15.506 36.819 1.00 52.56 ? 226 LEU A CG 1 +ATOM 1826 C CD1 . LEU A 1 226 ? -18.692 -14.334 36.190 1.00 53.47 ? 226 LEU A CD1 1 +ATOM 1827 C CD2 . LEU A 1 226 ? -17.829 -15.301 38.305 1.00 53.71 ? 226 LEU A CD2 1 +ATOM 1828 N N . VAL A 1 227 ? -18.099 -19.394 38.221 1.00 58.47 ? 227 VAL A N 1 +ATOM 1829 C CA . VAL A 1 227 ? -17.632 -20.027 39.439 1.00 60.43 ? 227 VAL A CA 1 +ATOM 1830 C C . VAL A 1 227 ? -16.527 -21.016 39.092 1.00 62.68 ? 227 VAL A C 1 +ATOM 1831 O O . VAL A 1 227 ? -15.545 -21.136 39.814 1.00 65.10 ? 227 VAL A O 1 +ATOM 1832 C CB . VAL A 1 227 ? -18.767 -20.698 40.238 1.00 59.56 ? 227 VAL A CB 1 +ATOM 1833 C CG1 . VAL A 1 227 ? -18.199 -21.525 41.373 1.00 55.06 ? 227 VAL A CG1 1 +ATOM 1834 C CG2 . VAL A 1 227 ? -19.703 -19.642 40.791 1.00 60.24 ? 227 VAL A CG2 1 +ATOM 1835 N N . PHE A 1 228 ? -16.670 -21.701 37.965 1.00 65.41 ? 228 PHE A N 1 +ATOM 1836 C CA . PHE A 1 228 ? -15.624 -22.616 37.517 1.00 65.06 ? 228 PHE A CA 1 +ATOM 1837 C C . PHE A 1 228 ? -14.301 -21.874 37.246 1.00 62.45 ? 228 PHE A C 1 +ATOM 1838 O O . PHE A 1 228 ? -13.288 -22.169 37.873 1.00 61.23 ? 228 PHE A O 1 +ATOM 1839 C CB . PHE A 1 228 ? -16.075 -23.419 36.296 1.00 63.31 ? 228 PHE A CB 1 +ATOM 1840 C CG . PHE A 1 228 ? -15.119 -24.513 35.913 1.00 73.67 ? 228 PHE A CG 1 +ATOM 1841 C CD1 . PHE A 1 228 ? -14.891 -25.588 36.774 1.00 80.28 ? 228 PHE A CD1 1 +ATOM 1842 C CD2 . PHE A 1 228 ? -14.437 -24.470 34.699 1.00 74.47 ? 228 PHE A CD2 1 +ATOM 1843 C CE1 . PHE A 1 228 ? -14.004 -26.598 36.429 1.00 73.01 ? 228 PHE A CE1 1 +ATOM 1844 C CE2 . PHE A 1 228 ? -13.557 -25.475 34.347 1.00 66.10 ? 228 PHE A CE2 1 +ATOM 1845 C CZ . PHE A 1 228 ? -13.343 -26.541 35.212 1.00 72.30 ? 228 PHE A CZ 1 +ATOM 1846 N N . THR A 1 229 ? -14.319 -20.911 36.328 1.00 58.99 ? 229 THR A N 1 +ATOM 1847 C CA . THR A 1 229 ? -13.140 -20.108 36.042 1.00 58.18 ? 229 THR A CA 1 +ATOM 1848 C C . THR A 1 229 ? -12.442 -19.648 37.318 1.00 59.77 ? 229 THR A C 1 +ATOM 1849 O O . THR A 1 229 ? -11.235 -19.814 37.473 1.00 62.29 ? 229 THR A O 1 +ATOM 1850 C CB . THR A 1 229 ? -13.500 -18.887 35.183 1.00 58.89 ? 229 THR A CB 1 +ATOM 1851 O OG1 . THR A 1 229 ? -13.752 -19.309 33.837 1.00 65.61 ? 229 THR A OG1 1 +ATOM 1852 C CG2 . THR A 1 229 ? -12.376 -17.854 35.180 1.00 55.49 ? 229 THR A CG2 1 +ATOM 1853 N N . VAL A 1 230 ? -13.209 -19.082 38.240 1.00 60.99 ? 230 VAL A N 1 +ATOM 1854 C CA . VAL A 1 230 ? -12.640 -18.499 39.451 1.00 59.54 ? 230 VAL A CA 1 +ATOM 1855 C C . VAL A 1 230 ? -12.082 -19.547 40.424 1.00 60.00 ? 230 VAL A C 1 +ATOM 1856 O O . VAL A 1 230 ? -11.049 -19.323 41.046 1.00 60.20 ? 230 VAL A O 1 +ATOM 1857 C CB . VAL A 1 230 ? -13.650 -17.534 40.134 1.00 59.95 ? 230 VAL A CB 1 +ATOM 1858 C CG1 . VAL A 1 230 ? -13.172 -17.096 41.524 1.00 53.25 ? 230 VAL A CG1 1 +ATOM 1859 C CG2 . VAL A 1 230 ? -13.887 -16.330 39.235 1.00 55.15 ? 230 VAL A CG2 1 +ATOM 1860 N N . LYS A 1 231 ? -12.748 -20.691 40.551 1.00 60.96 ? 231 LYS A N 1 +ATOM 1861 C CA . LYS A 1 231 ? -12.211 -21.778 41.380 1.00 64.99 ? 231 LYS A CA 1 +ATOM 1862 C C . LYS A 1 231 ? -10.848 -22.232 40.840 1.00 66.60 ? 231 LYS A C 1 +ATOM 1863 O O . LYS A 1 231 ? -9.877 -22.389 41.595 1.00 66.12 ? 231 LYS A O 1 +ATOM 1864 C CB . LYS A 1 231 ? -13.162 -22.978 41.420 1.00 63.16 ? 231 LYS A CB 1 +ATOM 1865 C CG . LYS A 1 231 ? -14.537 -22.698 41.975 1.00 65.84 ? 231 LYS A CG 1 +ATOM 1866 C CD . LYS A 1 231 ? -14.530 -22.546 43.476 1.00 70.32 ? 231 LYS A CD 1 +ATOM 1867 C CE . LYS A 1 231 ? -15.917 -22.809 44.033 1.00 65.82 ? 231 LYS A CE 1 +ATOM 1868 N NZ . LYS A 1 231 ? -16.033 -22.319 45.430 1.00 70.65 ? 231 LYS A NZ 1 +ATOM 1869 N N . GLU A 1 232 ? -10.807 -22.438 39.524 1.00 67.09 ? 232 GLU A N 1 +ATOM 1870 C CA . GLU A 1 232 ? -9.624 -22.879 38.819 1.00 69.05 ? 232 GLU A CA 1 +ATOM 1871 C C . GLU A 1 232 ? -8.487 -21.871 38.975 1.00 69.40 ? 232 GLU A C 1 +ATOM 1872 O O . GLU A 1 232 ? -7.389 -22.228 39.415 1.00 71.92 ? 232 GLU A O 1 +ATOM 1873 C CB . GLU A 1 232 ? -9.958 -23.102 37.346 1.00 69.35 ? 232 GLU A CB 1 +ATOM 1874 C CG . GLU A 1 232 ? -8.748 -23.313 36.456 1.00 85.54 ? 232 GLU A CG 1 +ATOM 1875 C CD . GLU A 1 232 ? -9.078 -24.085 35.185 1.00 100.26 ? 232 GLU A CD 1 +ATOM 1876 O OE1 . GLU A 1 232 ? -10.251 -24.489 35.012 1.00 102.35 ? 232 GLU A OE1 1 +ATOM 1877 O OE2 . GLU A 1 232 ? -8.157 -24.291 34.362 1.00 105.23 ? 232 GLU A OE2 1 +ATOM 1878 N N . ALA A 1 233 ? -8.754 -20.612 38.632 1.00 66.52 ? 233 ALA A N 1 +ATOM 1879 C CA . ALA A 1 233 ? -7.763 -19.551 38.792 1.00 63.07 ? 233 ALA A CA 1 +ATOM 1880 C C . ALA A 1 233 ? -7.135 -19.532 40.197 1.00 61.24 ? 233 ALA A C 1 +ATOM 1881 O O . ALA A 1 233 ? -5.920 -19.405 40.335 1.00 60.81 ? 233 ALA A O 1 +ATOM 1882 C CB . ALA A 1 233 ? -8.366 -18.206 38.449 1.00 60.10 ? 233 ALA A CB 1 +ATOM 1883 N N . ALA A 1 234 ? -7.962 -19.676 41.228 1.00 61.53 ? 234 ALA A N 1 +ATOM 1884 C CA . ALA A 1 234 ? -7.481 -19.661 42.611 1.00 62.17 ? 234 ALA A CA 1 +ATOM 1885 C C . ALA A 1 234 ? -6.620 -20.882 42.938 1.00 61.84 ? 234 ALA A C 1 +ATOM 1886 O O . ALA A 1 234 ? -5.593 -20.755 43.606 1.00 61.03 ? 234 ALA A O 1 +ATOM 1887 C CB . ALA A 1 234 ? -8.649 -19.558 43.584 1.00 61.81 ? 234 ALA A CB 1 +ATOM 1888 N N . ALA A 1 235 ? -7.052 -22.056 42.468 1.00 61.70 ? 235 ALA A N 1 +ATOM 1889 C CA . ALA A 1 235 ? -6.339 -23.326 42.676 1.00 59.29 ? 235 ALA A CA 1 +ATOM 1890 C C . ALA A 1 235 ? -4.926 -23.285 42.095 1.00 60.64 ? 235 ALA A C 1 +ATOM 1891 O O . ALA A 1 235 ? -3.993 -23.843 42.672 1.00 59.80 ? 235 ALA A O 1 +ATOM 1892 C CB . ALA A 1 235 ? -7.115 -24.458 42.053 1.00 56.54 ? 235 ALA A CB 1 +ATOM 1893 N N . GLN A 1 236 ? -4.798 -22.623 40.945 1.00 59.35 ? 236 GLN A N 1 +ATOM 1894 C CA . GLN A 1 236 ? -3.535 -22.419 40.261 1.00 57.97 ? 236 GLN A CA 1 +ATOM 1895 C C . GLN A 1 236 ? -2.726 -21.234 40.817 1.00 57.82 ? 236 GLN A C 1 +ATOM 1896 O O . GLN A 1 236 ? -1.696 -20.837 40.247 1.00 55.79 ? 236 GLN A O 1 +ATOM 1897 C CB . GLN A 1 236 ? -3.817 -22.195 38.779 1.00 59.37 ? 236 GLN A CB 1 +ATOM 1898 C CG . GLN A 1 236 ? -3.793 -23.464 37.947 1.00 68.85 ? 236 GLN A CG 1 +ATOM 1899 C CD . GLN A 1 236 ? -2.454 -24.167 38.034 1.00 74.13 ? 236 GLN A CD 1 +ATOM 1900 O OE1 . GLN A 1 236 ? -2.359 -25.276 38.553 1.00 78.09 ? 236 GLN A OE1 1 +ATOM 1901 N NE2 . GLN A 1 236 ? -1.404 -23.507 37.559 1.00 75.35 ? 236 GLN A NE2 1 +ATOM 1902 N N . GLN A 1 237 ? -3.186 -20.677 41.933 1.00 55.66 ? 237 GLN A N 1 +ATOM 1903 C CA . GLN A 1 237 ? -2.605 -19.455 42.458 1.00 53.88 ? 237 GLN A CA 1 +ATOM 1904 C C . GLN A 1 237 ? -2.798 -19.346 43.964 1.00 54.12 ? 237 GLN A C 1 +ATOM 1905 O O . GLN A 1 237 ? -3.001 -18.258 44.500 1.00 55.53 ? 237 GLN A O 1 +ATOM 1906 C CB . GLN A 1 237 ? -3.238 -18.264 41.762 1.00 52.26 ? 237 GLN A CB 1 +ATOM 1907 C CG . GLN A 1 237 ? -2.519 -16.957 41.993 1.00 58.73 ? 237 GLN A CG 1 +ATOM 1908 C CD . GLN A 1 237 ? -2.687 -16.011 40.819 1.00 65.13 ? 237 GLN A CD 1 +ATOM 1909 O OE1 . GLN A 1 237 ? -3.523 -16.241 39.936 1.00 58.22 ? 237 GLN A OE1 1 +ATOM 1910 N NE2 . GLN A 1 237 ? -1.883 -14.947 40.793 1.00 65.56 ? 237 GLN A NE2 1 +ATOM 1911 N N . GLN A 1 238 ? -2.709 -20.480 44.646 1.00 50.87 ? 238 GLN A N 1 +ATOM 1912 C CA . GLN A 1 238 ? -2.961 -20.533 46.067 1.00 50.07 ? 238 GLN A CA 1 +ATOM 1913 C C . GLN A 1 238 ? -1.985 -19.720 46.903 1.00 52.98 ? 238 GLN A C 1 +ATOM 1914 O O . GLN A 1 238 ? -2.171 -19.569 48.118 1.00 57.94 ? 238 GLN A O 1 +ATOM 1915 C CB . GLN A 1 238 ? -2.951 -21.977 46.522 1.00 49.23 ? 238 GLN A CB 1 +ATOM 1916 C CG . GLN A 1 238 ? -4.014 -22.804 45.856 1.00 53.55 ? 238 GLN A CG 1 +ATOM 1917 C CD . GLN A 1 238 ? -3.830 -24.257 46.137 1.00 62.49 ? 238 GLN A CD 1 +ATOM 1918 O OE1 . GLN A 1 238 ? -2.699 -24.729 46.256 1.00 76.29 ? 238 GLN A OE1 1 +ATOM 1919 N NE2 . GLN A 1 238 ? -4.931 -24.987 46.248 1.00 63.81 ? 238 GLN A NE2 1 +ATOM 1920 N N . GLU A 1 239 ? -0.941 -19.202 46.267 1.00 53.42 ? 239 GLU A N 1 +ATOM 1921 C CA . GLU A 1 239 ? 0.023 -18.360 46.969 1.00 52.96 ? 239 GLU A CA 1 +ATOM 1922 C C . GLU A 1 239 ? -0.542 -16.952 47.127 1.00 55.05 ? 239 GLU A C 1 +ATOM 1923 O O . GLU A 1 239 ? 0.060 -16.104 47.783 1.00 57.34 ? 239 GLU A O 1 +ATOM 1924 C CB . GLU A 1 239 ? 1.382 -18.332 46.243 1.00 50.43 ? 239 GLU A CB 1 +ATOM 1925 C CG . GLU A 1 239 ? 1.457 -17.408 45.023 1.00 40.93 ? 239 GLU A CG 1 +ATOM 1926 C CD . GLU A 1 239 ? 0.979 -18.070 43.735 1.00 49.15 ? 239 GLU A CD 1 +ATOM 1927 O OE1 . GLU A 1 239 ? 0.446 -19.209 43.784 1.00 43.70 ? 239 GLU A OE1 1 +ATOM 1928 O OE2 . GLU A 1 239 ? 1.154 -17.449 42.660 1.00 55.16 ? 239 GLU A OE2 1 +ATOM 1929 N N . SER A 1 240 ? -1.701 -16.713 46.521 1.00 56.69 ? 240 SER A N 1 +ATOM 1930 C CA . SER A 1 240 ? -2.344 -15.395 46.566 1.00 58.94 ? 240 SER A CA 1 +ATOM 1931 C C . SER A 1 240 ? -3.581 -15.389 47.453 1.00 58.25 ? 240 SER A C 1 +ATOM 1932 O O . SER A 1 240 ? -4.628 -15.893 47.047 1.00 57.93 ? 240 SER A O 1 +ATOM 1933 C CB . SER A 1 240 ? -2.740 -14.949 45.158 1.00 60.06 ? 240 SER A CB 1 +ATOM 1934 O OG . SER A 1 240 ? -3.655 -13.871 45.215 1.00 60.34 ? 240 SER A OG 1 +ATOM 1935 N N . ALA A 1 241 ? -3.462 -14.822 48.656 1.00 58.79 ? 241 ALA A N 1 +ATOM 1936 C CA . ALA A 1 241 ? -4.592 -14.762 49.595 1.00 59.30 ? 241 ALA A CA 1 +ATOM 1937 C C . ALA A 1 241 ? -5.804 -14.009 48.980 1.00 59.98 ? 241 ALA A C 1 +ATOM 1938 O O . ALA A 1 241 ? -6.958 -14.464 49.061 1.00 56.05 ? 241 ALA A O 1 +ATOM 1939 C CB . ALA A 1 241 ? -4.158 -14.143 50.935 1.00 53.17 ? 241 ALA A CB 1 +ATOM 1940 N N . THR A 1 242 ? -5.524 -12.875 48.341 1.00 58.45 ? 242 THR A N 1 +ATOM 1941 C CA . THR A 1 242 ? -6.556 -12.117 47.660 1.00 61.36 ? 242 THR A CA 1 +ATOM 1942 C C . THR A 1 242 ? -7.360 -13.010 46.710 1.00 62.51 ? 242 THR A C 1 +ATOM 1943 O O . THR A 1 242 ? -8.589 -13.054 46.801 1.00 66.43 ? 242 THR A O 1 +ATOM 1944 C CB . THR A 1 242 ? -5.968 -10.908 46.892 1.00 62.17 ? 242 THR A CB 1 +ATOM 1945 O OG1 . THR A 1 242 ? -5.359 -10.008 47.820 1.00 63.97 ? 242 THR A OG1 1 +ATOM 1946 C CG2 . THR A 1 242 ? -7.047 -10.168 46.152 1.00 61.41 ? 242 THR A CG2 1 +ATOM 1947 N N . THR A 1 243 ? -6.682 -13.720 45.808 1.00 59.70 ? 243 THR A N 1 +ATOM 1948 C CA . THR A 1 243 ? -7.382 -14.562 44.840 1.00 57.15 ? 243 THR A CA 1 +ATOM 1949 C C . THR A 1 243 ? -8.256 -15.589 45.560 1.00 56.38 ? 243 THR A C 1 +ATOM 1950 O O . THR A 1 243 ? -9.331 -15.945 45.075 1.00 53.92 ? 243 THR A O 1 +ATOM 1951 C CB . THR A 1 243 ? -6.418 -15.272 43.850 1.00 58.22 ? 243 THR A CB 1 +ATOM 1952 O OG1 . THR A 1 243 ? -5.499 -14.324 43.305 1.00 56.46 ? 243 THR A OG1 1 +ATOM 1953 C CG2 . THR A 1 243 ? -7.190 -15.909 42.701 1.00 55.17 ? 243 THR A CG2 1 +ATOM 1954 N N . GLN A 1 244 ? -7.807 -16.046 46.727 1.00 56.58 ? 244 GLN A N 1 +ATOM 1955 C CA . GLN A 1 244 ? -8.589 -17.006 47.504 1.00 57.50 ? 244 GLN A CA 1 +ATOM 1956 C C . GLN A 1 244 ? -9.873 -16.362 48.012 1.00 58.93 ? 244 GLN A C 1 +ATOM 1957 O O . GLN A 1 244 ? -10.931 -16.994 48.006 1.00 60.07 ? 244 GLN A O 1 +ATOM 1958 C CB . GLN A 1 244 ? -7.788 -17.581 48.672 1.00 56.28 ? 244 GLN A CB 1 +ATOM 1959 C CG . GLN A 1 244 ? -6.448 -18.191 48.290 1.00 60.31 ? 244 GLN A CG 1 +ATOM 1960 C CD . GLN A 1 244 ? -6.501 -19.038 47.024 1.00 55.60 ? 244 GLN A CD 1 +ATOM 1961 O OE1 . GLN A 1 244 ? -7.270 -19.992 46.928 1.00 55.72 ? 244 GLN A OE1 1 +ATOM 1962 N NE2 . GLN A 1 244 ? -5.669 -18.691 46.051 1.00 55.90 ? 244 GLN A NE2 1 +ATOM 1963 N N . LYS A 1 245 ? -9.771 -15.104 48.438 1.00 59.71 ? 245 LYS A N 1 +ATOM 1964 C CA . LYS A 1 245 ? -10.927 -14.337 48.892 1.00 60.75 ? 245 LYS A CA 1 +ATOM 1965 C C . LYS A 1 245 ? -11.924 -14.103 47.768 1.00 60.94 ? 245 LYS A C 1 +ATOM 1966 O O . LYS A 1 245 ? -13.119 -14.371 47.924 1.00 62.18 ? 245 LYS A O 1 +ATOM 1967 C CB . LYS A 1 245 ? -10.490 -13.008 49.511 1.00 61.28 ? 245 LYS A CB 1 +ATOM 1968 C CG . LYS A 1 245 ? -10.227 -13.118 51.006 1.00 71.17 ? 245 LYS A CG 1 +ATOM 1969 C CD . LYS A 1 245 ? -9.084 -12.221 51.460 1.00 84.69 ? 245 LYS A CD 1 +ATOM 1970 C CE . LYS A 1 245 ? -8.457 -12.785 52.732 1.00 93.98 ? 245 LYS A CE 1 +ATOM 1971 N NZ . LYS A 1 245 ? -7.241 -12.042 53.164 1.00 100.27 ? 245 LYS A NZ 1 +ATOM 1972 N N . ALA A 1 246 ? -11.432 -13.612 46.635 1.00 60.54 ? 246 ALA A N 1 +ATOM 1973 C CA . ALA A 1 246 ? -12.278 -13.409 45.465 1.00 59.29 ? 246 ALA A CA 1 +ATOM 1974 C C . ALA A 1 246 ? -13.075 -14.673 45.131 1.00 59.02 ? 246 ALA A C 1 +ATOM 1975 O O . ALA A 1 246 ? -14.267 -14.614 44.841 1.00 58.51 ? 246 ALA A O 1 +ATOM 1976 C CB . ALA A 1 246 ? -11.443 -12.973 44.281 1.00 58.19 ? 246 ALA A CB 1 +ATOM 1977 N N . GLU A 1 247 ? -12.421 -15.823 45.184 1.00 59.10 ? 247 GLU A N 1 +ATOM 1978 C CA . GLU A 1 247 ? -13.098 -17.054 44.831 1.00 60.88 ? 247 GLU A CA 1 +ATOM 1979 C C . GLU A 1 247 ? -14.270 -17.305 45.783 1.00 60.71 ? 247 GLU A C 1 +ATOM 1980 O O . GLU A 1 247 ? -15.357 -17.685 45.351 1.00 61.20 ? 247 GLU A O 1 +ATOM 1981 C CB . GLU A 1 247 ? -12.102 -18.214 44.788 1.00 61.52 ? 247 GLU A CB 1 +ATOM 1982 C CG . GLU A 1 247 ? -12.712 -19.594 44.677 1.00 67.49 ? 247 GLU A CG 1 +ATOM 1983 C CD . GLU A 1 247 ? -12.932 -20.218 46.037 1.00 85.78 ? 247 GLU A CD 1 +ATOM 1984 O OE1 . GLU A 1 247 ? -12.124 -19.956 46.965 1.00 83.16 ? 247 GLU A OE1 1 +ATOM 1985 O OE2 . GLU A 1 247 ? -13.920 -20.968 46.178 1.00 96.51 ? 247 GLU A OE2 1 +ATOM 1986 N N . LYS A 1 248 ? -14.051 -17.059 47.071 1.00 61.21 ? 248 LYS A N 1 +ATOM 1987 C CA . LYS A 1 248 ? -15.103 -17.201 48.078 1.00 61.15 ? 248 LYS A CA 1 +ATOM 1988 C C . LYS A 1 248 ? -16.225 -16.166 47.938 1.00 59.95 ? 248 LYS A C 1 +ATOM 1989 O O . LYS A 1 248 ? -17.412 -16.513 47.971 1.00 57.50 ? 248 LYS A O 1 +ATOM 1990 C CB . LYS A 1 248 ? -14.506 -17.193 49.489 1.00 59.40 ? 248 LYS A CB 1 +ATOM 1991 C CG . LYS A 1 248 ? -14.155 -18.598 49.937 1.00 73.24 ? 248 LYS A CG 1 +ATOM 1992 C CD . LYS A 1 248 ? -13.123 -18.674 51.050 1.00 85.09 ? 248 LYS A CD 1 +ATOM 1993 C CE . LYS A 1 248 ? -12.691 -20.128 51.242 1.00 89.18 ? 248 LYS A CE 1 +ATOM 1994 N NZ . LYS A 1 248 ? -12.178 -20.403 52.609 1.00 95.88 ? 248 LYS A NZ 1 +ATOM 1995 N N . GLU A 1 249 ? -15.851 -14.903 47.774 1.00 58.44 ? 249 GLU A N 1 +ATOM 1996 C CA . GLU A 1 249 ? -16.837 -13.851 47.624 1.00 59.70 ? 249 GLU A CA 1 +ATOM 1997 C C . GLU A 1 249 ? -17.669 -14.067 46.360 1.00 57.91 ? 249 GLU A C 1 +ATOM 1998 O O . GLU A 1 249 ? -18.893 -14.013 46.414 1.00 60.25 ? 249 GLU A O 1 +ATOM 1999 C CB . GLU A 1 249 ? -16.165 -12.473 47.648 1.00 61.12 ? 249 GLU A CB 1 +ATOM 2000 C CG . GLU A 1 249 ? -17.060 -11.283 47.256 1.00 75.87 ? 249 GLU A CG 1 +ATOM 2001 C CD . GLU A 1 249 ? -18.294 -11.096 48.152 1.00 90.03 ? 249 GLU A CD 1 +ATOM 2002 O OE1 . GLU A 1 249 ? -18.364 -11.708 49.244 1.00 89.67 ? 249 GLU A OE1 1 +ATOM 2003 O OE2 . GLU A 1 249 ? -19.199 -10.322 47.755 1.00 93.09 ? 249 GLU A OE2 1 +ATOM 2004 N N . VAL A 1 250 ? -17.012 -14.334 45.234 1.00 56.43 ? 250 VAL A N 1 +ATOM 2005 C CA . VAL A 1 250 ? -17.713 -14.575 43.974 1.00 55.00 ? 250 VAL A CA 1 +ATOM 2006 C C . VAL A 1 250 ? -18.674 -15.763 44.072 1.00 57.46 ? 250 VAL A C 1 +ATOM 2007 O O . VAL A 1 250 ? -19.791 -15.714 43.539 1.00 58.60 ? 250 VAL A O 1 +ATOM 2008 C CB . VAL A 1 250 ? -16.737 -14.824 42.803 1.00 54.77 ? 250 VAL A CB 1 +ATOM 2009 C CG1 . VAL A 1 250 ? -17.480 -15.375 41.593 1.00 50.83 ? 250 VAL A CG1 1 +ATOM 2010 C CG2 . VAL A 1 250 ? -15.997 -13.550 42.438 1.00 54.72 ? 250 VAL A CG2 1 +ATOM 2011 N N . THR A 1 251 ? -18.247 -16.832 44.742 1.00 56.13 ? 251 THR A N 1 +ATOM 2012 C CA . THR A 1 251 ? -19.127 -17.987 44.913 1.00 55.10 ? 251 THR A CA 1 +ATOM 2013 C C . THR A 1 251 ? -20.341 -17.620 45.757 1.00 55.00 ? 251 THR A C 1 +ATOM 2014 O O . THR A 1 251 ? -21.454 -17.997 45.423 1.00 58.48 ? 251 THR A O 1 +ATOM 2015 C CB . THR A 1 251 ? -18.396 -19.220 45.496 1.00 53.54 ? 251 THR A CB 1 +ATOM 2016 O OG1 . THR A 1 251 ? -17.404 -19.654 44.568 1.00 58.06 ? 251 THR A OG1 1 +ATOM 2017 C CG2 . THR A 1 251 ? -19.363 -20.374 45.742 1.00 46.70 ? 251 THR A CG2 1 +ATOM 2018 N N . ARG A 1 252 ? -20.128 -16.879 46.840 1.00 56.43 ? 252 ARG A N 1 +ATOM 2019 C CA . ARG A 1 252 ? -21.232 -16.458 47.701 1.00 57.53 ? 252 ARG A CA 1 +ATOM 2020 C C . ARG A 1 252 ? -22.222 -15.634 46.880 1.00 56.67 ? 252 ARG A C 1 +ATOM 2021 O O . ARG A 1 252 ? -23.407 -15.959 46.823 1.00 57.22 ? 252 ARG A O 1 +ATOM 2022 C CB . ARG A 1 252 ? -20.723 -15.671 48.916 1.00 58.11 ? 252 ARG A CB 1 +ATOM 2023 C CG . ARG A 1 252 ? -21.712 -15.576 50.068 1.00 62.10 ? 252 ARG A CG 1 +ATOM 2024 C CD . ARG A 1 252 ? -21.191 -14.677 51.187 1.00 80.28 ? 252 ARG A CD 1 +ATOM 2025 N NE . ARG A 1 252 ? -20.863 -13.325 50.716 1.00 93.28 ? 252 ARG A NE 1 +ATOM 2026 C CZ . ARG A 1 252 ? -21.554 -12.220 51.004 1.00 94.65 ? 252 ARG A CZ 1 +ATOM 2027 N NH1 . ARG A 1 252 ? -22.635 -12.274 51.781 1.00 98.25 ? 252 ARG A NH1 1 +ATOM 2028 N NH2 . ARG A 1 252 ? -21.156 -11.049 50.518 1.00 87.11 ? 252 ARG A NH2 1 +ATOM 2029 N N . MET A 1 253 ? -21.731 -14.593 46.218 1.00 54.18 ? 253 MET A N 1 +ATOM 2030 C CA . MET A 1 253 ? -22.578 -13.813 45.332 1.00 58.09 ? 253 MET A CA 1 +ATOM 2031 C C . MET A 1 253 ? -23.401 -14.649 44.338 1.00 59.54 ? 253 MET A C 1 +ATOM 2032 O O . MET A 1 253 ? -24.595 -14.394 44.161 1.00 62.97 ? 253 MET A O 1 +ATOM 2033 C CB . MET A 1 253 ? -21.769 -12.754 44.579 1.00 57.91 ? 253 MET A CB 1 +ATOM 2034 C CG . MET A 1 253 ? -21.459 -11.523 45.405 1.00 62.96 ? 253 MET A CG 1 +ATOM 2035 S SD . MET A 1 253 ? -22.947 -10.741 46.059 1.00 69.30 ? 253 MET A SD 1 +ATOM 2036 C CE . MET A 1 253 ? -23.910 -10.518 44.557 1.00 58.33 ? 253 MET A CE 1 +ATOM 2037 N N . VAL A 1 254 ? -22.784 -15.624 43.677 1.00 57.49 ? 254 VAL A N 1 +ATOM 2038 C CA . VAL A 1 254 ? -23.520 -16.392 42.672 1.00 58.57 ? 254 VAL A CA 1 +ATOM 2039 C C . VAL A 1 254 ? -24.664 -17.198 43.314 1.00 58.62 ? 254 VAL A C 1 +ATOM 2040 O O . VAL A 1 254 ? -25.753 -17.328 42.741 1.00 58.23 ? 254 VAL A O 1 +ATOM 2041 C CB . VAL A 1 254 ? -22.584 -17.272 41.787 1.00 60.54 ? 254 VAL A CB 1 +ATOM 2042 C CG1 . VAL A 1 254 ? -23.387 -18.252 40.927 1.00 54.77 ? 254 VAL A CG1 1 +ATOM 2043 C CG2 . VAL A 1 254 ? -21.724 -16.387 40.891 1.00 58.76 ? 254 VAL A CG2 1 +ATOM 2044 N N . ILE A 1 255 ? -24.422 -17.711 44.514 1.00 56.58 ? 255 ILE A N 1 +ATOM 2045 C CA . ILE A 1 255 ? -25.459 -18.420 45.252 1.00 56.08 ? 255 ILE A CA 1 +ATOM 2046 C C . ILE A 1 255 ? -26.621 -17.481 45.617 1.00 57.29 ? 255 ILE A C 1 +ATOM 2047 O O . ILE A 1 255 ? -27.798 -17.831 45.461 1.00 59.09 ? 255 ILE A O 1 +ATOM 2048 C CB . ILE A 1 255 ? -24.879 -19.135 46.492 1.00 55.56 ? 255 ILE A CB 1 +ATOM 2049 C CG1 . ILE A 1 255 ? -23.826 -20.163 46.036 1.00 53.89 ? 255 ILE A CG1 1 +ATOM 2050 C CG2 . ILE A 1 255 ? -26.006 -19.779 47.328 1.00 51.28 ? 255 ILE A CG2 1 +ATOM 2051 C CD1 . ILE A 1 255 ? -23.331 -21.120 47.114 1.00 49.15 ? 255 ILE A CD1 1 +ATOM 2052 N N . ILE A 1 256 ? -26.282 -16.278 46.073 1.00 55.73 ? 256 ILE A N 1 +ATOM 2053 C CA . ILE A 1 256 ? -27.273 -15.247 46.355 1.00 51.79 ? 256 ILE A CA 1 +ATOM 2054 C C . ILE A 1 256 ? -28.049 -14.832 45.102 1.00 52.77 ? 256 ILE A C 1 +ATOM 2055 O O . ILE A 1 256 ? -29.271 -14.774 45.138 1.00 54.12 ? 256 ILE A O 1 +ATOM 2056 C CB . ILE A 1 256 ? -26.625 -14.024 47.024 1.00 52.35 ? 256 ILE A CB 1 +ATOM 2057 C CG1 . ILE A 1 256 ? -26.173 -14.402 48.441 1.00 50.94 ? 256 ILE A CG1 1 +ATOM 2058 C CG2 . ILE A 1 256 ? -27.587 -12.822 47.021 1.00 48.34 ? 256 ILE A CG2 1 +ATOM 2059 C CD1 . ILE A 1 256 ? -25.068 -13.536 48.990 1.00 47.16 ? 256 ILE A CD1 1 +ATOM 2060 N N . MET A 1 257 ? -27.352 -14.562 43.997 1.00 52.95 ? 257 MET A N 1 +ATOM 2061 C CA . MET A 1 257 ? -28.019 -14.156 42.753 1.00 53.01 ? 257 MET A CA 1 +ATOM 2062 C C . MET A 1 257 ? -28.947 -15.221 42.202 1.00 53.92 ? 257 MET A C 1 +ATOM 2063 O O . MET A 1 257 ? -30.032 -14.910 41.720 1.00 53.87 ? 257 MET A O 1 +ATOM 2064 C CB . MET A 1 257 ? -27.012 -13.795 41.671 1.00 53.00 ? 257 MET A CB 1 +ATOM 2065 C CG . MET A 1 257 ? -26.443 -12.405 41.778 1.00 52.82 ? 257 MET A CG 1 +ATOM 2066 S SD . MET A 1 257 ? -25.040 -12.229 40.664 1.00 57.04 ? 257 MET A SD 1 +ATOM 2067 C CE . MET A 1 257 ? -24.553 -10.527 41.018 1.00 69.94 ? 257 MET A CE 1 +ATOM 2068 N N . VAL A 1 258 ? -28.513 -16.476 42.260 1.00 54.16 ? 258 VAL A N 1 +ATOM 2069 C CA . VAL A 1 258 ? -29.296 -17.563 41.687 1.00 54.46 ? 258 VAL A CA 1 +ATOM 2070 C C . VAL A 1 258 ? -30.518 -17.846 42.562 1.00 55.48 ? 258 VAL A C 1 +ATOM 2071 O O . VAL A 1 258 ? -31.651 -17.805 42.067 1.00 56.30 ? 258 VAL A O 1 +ATOM 2072 C CB . VAL A 1 258 ? -28.416 -18.816 41.361 1.00 54.90 ? 258 VAL A CB 1 +ATOM 2073 C CG1 . VAL A 1 258 ? -29.212 -20.104 41.386 1.00 52.78 ? 258 VAL A CG1 1 +ATOM 2074 C CG2 . VAL A 1 258 ? -27.776 -18.640 40.006 1.00 53.18 ? 258 VAL A CG2 1 +ATOM 2075 N N . ILE A 1 259 ? -30.302 -18.094 43.854 1.00 53.26 ? 259 ILE A N 1 +ATOM 2076 C CA . ILE A 1 259 ? -31.423 -18.215 44.792 1.00 54.95 ? 259 ILE A CA 1 +ATOM 2077 C C . ILE A 1 259 ? -32.421 -17.046 44.690 1.00 55.85 ? 259 ILE A C 1 +ATOM 2078 O O . ILE A 1 259 ? -33.636 -17.246 44.759 1.00 55.74 ? 259 ILE A O 1 +ATOM 2079 C CB . ILE A 1 259 ? -30.943 -18.308 46.248 1.00 57.08 ? 259 ILE A CB 1 +ATOM 2080 C CG1 . ILE A 1 259 ? -30.284 -19.668 46.503 1.00 58.99 ? 259 ILE A CG1 1 +ATOM 2081 C CG2 . ILE A 1 259 ? -32.112 -18.060 47.209 1.00 46.60 ? 259 ILE A CG2 1 +ATOM 2082 C CD1 . ILE A 1 259 ? -29.764 -19.829 47.912 1.00 58.89 ? 259 ILE A CD1 1 +ATOM 2083 N N . ALA A 1 260 ? -31.899 -15.831 44.533 1.00 55.71 ? 260 ALA A N 1 +ATOM 2084 C CA . ALA A 1 260 ? -32.723 -14.629 44.437 1.00 54.64 ? 260 ALA A CA 1 +ATOM 2085 C C . ALA A 1 260 ? -33.546 -14.596 43.153 1.00 55.57 ? 260 ALA A C 1 +ATOM 2086 O O . ALA A 1 260 ? -34.671 -14.087 43.137 1.00 56.33 ? 260 ALA A O 1 +ATOM 2087 C CB . ALA A 1 260 ? -31.863 -13.381 44.541 1.00 52.97 ? 260 ALA A CB 1 +ATOM 2088 N N . PHE A 1 261 ? -32.989 -15.125 42.070 1.00 54.24 ? 261 PHE A N 1 +ATOM 2089 C CA . PHE A 1 261 ? -33.743 -15.186 40.832 1.00 54.03 ? 261 PHE A CA 1 +ATOM 2090 C C . PHE A 1 261 ? -34.865 -16.213 40.994 1.00 55.37 ? 261 PHE A C 1 +ATOM 2091 O O . PHE A 1 261 ? -35.991 -15.998 40.532 1.00 55.16 ? 261 PHE A O 1 +ATOM 2092 C CB . PHE A 1 261 ? -32.840 -15.538 39.657 1.00 52.17 ? 261 PHE A CB 1 +ATOM 2093 C CG . PHE A 1 261 ? -33.542 -15.547 38.341 1.00 49.53 ? 261 PHE A CG 1 +ATOM 2094 C CD1 . PHE A 1 261 ? -33.703 -14.374 37.617 1.00 57.22 ? 261 PHE A CD1 1 +ATOM 2095 C CD2 . PHE A 1 261 ? -34.035 -16.730 37.812 1.00 55.01 ? 261 PHE A CD2 1 +ATOM 2096 C CE1 . PHE A 1 261 ? -34.349 -14.374 36.380 1.00 50.76 ? 261 PHE A CE1 1 +ATOM 2097 C CE2 . PHE A 1 261 ? -34.685 -16.745 36.580 1.00 54.01 ? 261 PHE A CE2 1 +ATOM 2098 C CZ . PHE A 1 261 ? -34.838 -15.563 35.863 1.00 53.25 ? 261 PHE A CZ 1 +ATOM 2099 N N . LEU A 1 262 ? -34.559 -17.318 41.671 1.00 54.43 ? 262 LEU A N 1 +ATOM 2100 C CA . LEU A 1 262 ? -35.561 -18.344 41.908 1.00 54.35 ? 262 LEU A CA 1 +ATOM 2101 C C . LEU A 1 262 ? -36.703 -17.784 42.731 1.00 56.45 ? 262 LEU A C 1 +ATOM 2102 O O . LEU A 1 262 ? -37.849 -17.805 42.284 1.00 57.94 ? 262 LEU A O 1 +ATOM 2103 C CB . LEU A 1 262 ? -34.958 -19.585 42.570 1.00 52.50 ? 262 LEU A CB 1 +ATOM 2104 C CG . LEU A 1 262 ? -34.113 -20.499 41.663 1.00 57.19 ? 262 LEU A CG 1 +ATOM 2105 C CD1 . LEU A 1 262 ? -33.618 -21.720 42.430 1.00 48.81 ? 262 LEU A CD1 1 +ATOM 2106 C CD2 . LEU A 1 262 ? -34.847 -20.915 40.356 1.00 50.04 ? 262 LEU A CD2 1 +ATOM 2107 N N . ILE A 1 263 ? -36.396 -17.263 43.921 1.00 58.70 ? 263 ILE A N 1 +ATOM 2108 C CA . ILE A 1 263 ? -37.429 -16.686 44.787 1.00 58.59 ? 263 ILE A CA 1 +ATOM 2109 C C . ILE A 1 263 ? -38.341 -15.717 44.008 1.00 58.62 ? 263 ILE A C 1 +ATOM 2110 O O . ILE A 1 263 ? -39.560 -15.705 44.177 1.00 58.08 ? 263 ILE A O 1 +ATOM 2111 C CB . ILE A 1 263 ? -36.821 -15.971 46.012 1.00 59.38 ? 263 ILE A CB 1 +ATOM 2112 C CG1 . ILE A 1 263 ? -36.237 -16.986 47.005 1.00 59.85 ? 263 ILE A CG1 1 +ATOM 2113 C CG2 . ILE A 1 263 ? -37.883 -15.142 46.718 1.00 61.00 ? 263 ILE A CG2 1 +ATOM 2114 C CD1 . ILE A 1 263 ? -35.365 -16.354 48.122 1.00 44.80 ? 263 ILE A CD1 1 +ATOM 2115 N N . CYS A 1 264 ? -37.751 -14.916 43.135 1.00 57.29 ? 264 CYS A N 1 +ATOM 2116 C CA . CYS A 1 264 ? -38.525 -13.910 42.433 1.00 54.62 ? 264 CYS A CA 1 +ATOM 2117 C C . CYS A 1 264 ? -39.491 -14.451 41.387 1.00 55.43 ? 264 CYS A C 1 +ATOM 2118 O O . CYS A 1 264 ? -40.589 -13.929 41.248 1.00 56.47 ? 264 CYS A O 1 +ATOM 2119 C CB . CYS A 1 264 ? -37.609 -12.884 41.784 1.00 52.73 ? 264 CYS A CB 1 +ATOM 2120 S SG . CYS A 1 264 ? -38.521 -11.746 40.760 1.00 51.40 ? 264 CYS A SG 1 +ATOM 2121 N N . TRP A 1 265 ? -39.086 -15.468 40.629 1.00 58.10 ? 265 TRP A N 1 +ATOM 2122 C CA . TRP A 1 265 ? -39.913 -15.937 39.506 1.00 59.22 ? 265 TRP A CA 1 +ATOM 2123 C C . TRP A 1 265 ? -40.454 -17.372 39.631 1.00 61.15 ? 265 TRP A C 1 +ATOM 2124 O O . TRP A 1 265 ? -41.404 -17.736 38.933 1.00 60.39 ? 265 TRP A O 1 +ATOM 2125 C CB . TRP A 1 265 ? -39.183 -15.777 38.171 1.00 58.62 ? 265 TRP A CB 1 +ATOM 2126 C CG . TRP A 1 265 ? -38.766 -14.375 37.840 1.00 56.78 ? 265 TRP A CG 1 +ATOM 2127 C CD1 . TRP A 1 265 ? -37.489 -13.908 37.751 1.00 54.04 ? 265 TRP A CD1 1 +ATOM 2128 C CD2 . TRP A 1 265 ? -39.622 -13.261 37.535 1.00 57.57 ? 265 TRP A CD2 1 +ATOM 2129 N NE1 . TRP A 1 265 ? -37.490 -12.578 37.406 1.00 53.07 ? 265 TRP A NE1 1 +ATOM 2130 C CE2 . TRP A 1 265 ? -38.784 -12.153 37.270 1.00 53.91 ? 265 TRP A CE2 1 +ATOM 2131 C CE3 . TRP A 1 265 ? -41.011 -13.093 37.456 1.00 59.78 ? 265 TRP A CE3 1 +ATOM 2132 C CZ2 . TRP A 1 265 ? -39.287 -10.889 36.945 1.00 54.61 ? 265 TRP A CZ2 1 +ATOM 2133 C CZ3 . TRP A 1 265 ? -41.514 -11.835 37.124 1.00 60.02 ? 265 TRP A CZ3 1 +ATOM 2134 C CH2 . TRP A 1 265 ? -40.652 -10.750 36.874 1.00 62.76 ? 265 TRP A CH2 1 +ATOM 2135 N N . LEU A 1 266 ? -39.862 -18.183 40.507 1.00 62.80 ? 266 LEU A N 1 +ATOM 2136 C CA . LEU A 1 266 ? -40.301 -19.572 40.648 1.00 64.31 ? 266 LEU A CA 1 +ATOM 2137 C C . LEU A 1 266 ? -41.800 -19.652 40.952 1.00 67.07 ? 266 LEU A C 1 +ATOM 2138 O O . LEU A 1 266 ? -42.513 -20.436 40.325 1.00 69.14 ? 266 LEU A O 1 +ATOM 2139 C CB . LEU A 1 266 ? -39.478 -20.344 41.692 1.00 62.11 ? 266 LEU A CB 1 +ATOM 2140 C CG . LEU A 1 266 ? -39.713 -21.865 41.702 1.00 62.39 ? 266 LEU A CG 1 +ATOM 2141 C CD1 . LEU A 1 266 ? -39.366 -22.440 40.336 1.00 54.90 ? 266 LEU A CD1 1 +ATOM 2142 C CD2 . LEU A 1 266 ? -38.952 -22.609 42.829 1.00 49.10 ? 266 LEU A CD2 1 +ATOM 2143 N N . PRO A 1 267 ? -42.283 -18.835 41.908 1.00 68.41 ? 267 PRO A N 1 +ATOM 2144 C CA . PRO A 1 267 ? -43.700 -18.825 42.243 1.00 67.56 ? 267 PRO A CA 1 +ATOM 2145 C C . PRO A 1 267 ? -44.618 -18.618 41.036 1.00 66.64 ? 267 PRO A C 1 +ATOM 2146 O O . PRO A 1 267 ? -45.526 -19.416 40.838 1.00 66.68 ? 267 PRO A O 1 +ATOM 2147 C CB . PRO A 1 267 ? -43.804 -17.659 43.224 1.00 68.73 ? 267 PRO A CB 1 +ATOM 2148 C CG . PRO A 1 267 ? -42.501 -17.691 43.927 1.00 66.64 ? 267 PRO A CG 1 +ATOM 2149 C CD . PRO A 1 267 ? -41.518 -17.968 42.824 1.00 68.93 ? 267 PRO A CD 1 +ATOM 2150 N N . TYR A 1 268 ? -44.397 -17.573 40.241 1.00 65.76 ? 268 TYR A N 1 +ATOM 2151 C CA . TYR A 1 268 ? -45.207 -17.382 39.034 1.00 67.03 ? 268 TYR A CA 1 +ATOM 2152 C C . TYR A 1 268 ? -45.175 -18.613 38.130 1.00 67.58 ? 268 TYR A C 1 +ATOM 2153 O O . TYR A 1 268 ? -46.219 -19.082 37.677 1.00 67.64 ? 268 TYR A O 1 +ATOM 2154 C CB . TYR A 1 268 ? -44.787 -16.136 38.243 1.00 66.97 ? 268 TYR A CB 1 +ATOM 2155 C CG . TYR A 1 268 ? -45.649 -14.926 38.518 1.00 73.24 ? 268 TYR A CG 1 +ATOM 2156 C CD1 . TYR A 1 268 ? -45.081 -13.714 38.910 1.00 75.12 ? 268 TYR A CD1 1 +ATOM 2157 C CD2 . TYR A 1 268 ? -47.040 -14.995 38.400 1.00 72.98 ? 268 TYR A CD2 1 +ATOM 2158 C CE1 . TYR A 1 268 ? -45.875 -12.602 39.171 1.00 75.81 ? 268 TYR A CE1 1 +ATOM 2159 C CE2 . TYR A 1 268 ? -47.838 -13.895 38.656 1.00 72.37 ? 268 TYR A CE2 1 +ATOM 2160 C CZ . TYR A 1 268 ? -47.251 -12.701 39.040 1.00 76.62 ? 268 TYR A CZ 1 +ATOM 2161 O OH . TYR A 1 268 ? -48.042 -11.605 39.294 1.00 76.66 ? 268 TYR A OH 1 +ATOM 2162 N N . ALA A 1 269 ? -43.975 -19.131 37.880 1.00 67.55 ? 269 ALA A N 1 +ATOM 2163 C CA . ALA A 1 269 ? -43.796 -20.306 37.038 1.00 66.67 ? 269 ALA A CA 1 +ATOM 2164 C C . ALA A 1 269 ? -44.408 -21.563 37.675 1.00 67.67 ? 269 ALA A C 1 +ATOM 2165 O O . ALA A 1 269 ? -45.155 -22.291 37.024 1.00 66.95 ? 269 ALA A O 1 +ATOM 2166 C CB . ALA A 1 269 ? -42.321 -20.515 36.745 1.00 66.54 ? 269 ALA A CB 1 +ATOM 2167 N N . GLY A 1 270 ? -44.088 -21.811 38.946 1.00 68.08 ? 270 GLY A N 1 +ATOM 2168 C CA . GLY A 1 270 ? -44.609 -22.969 39.669 1.00 67.72 ? 270 GLY A CA 1 +ATOM 2169 C C . GLY A 1 270 ? -46.123 -23.017 39.627 1.00 69.64 ? 270 GLY A C 1 +ATOM 2170 O O . GLY A 1 270 ? -46.716 -24.010 39.206 1.00 71.57 ? 270 GLY A O 1 +ATOM 2171 N N . VAL A 1 271 ? -46.747 -21.929 40.064 1.00 69.67 ? 271 VAL A N 1 +ATOM 2172 C CA . VAL A 1 271 ? -48.193 -21.771 40.011 1.00 66.95 ? 271 VAL A CA 1 +ATOM 2173 C C . VAL A 1 271 ? -48.745 -21.917 38.583 1.00 68.69 ? 271 VAL A C 1 +ATOM 2174 O O . VAL A 1 271 ? -49.664 -22.701 38.356 1.00 69.66 ? 271 VAL A O 1 +ATOM 2175 C CB . VAL A 1 271 ? -48.602 -20.427 40.633 1.00 65.20 ? 271 VAL A CB 1 +ATOM 2176 C CG1 . VAL A 1 271 ? -50.012 -20.029 40.215 1.00 66.85 ? 271 VAL A CG1 1 +ATOM 2177 C CG2 . VAL A 1 271 ? -48.462 -20.495 42.146 1.00 61.84 ? 271 VAL A CG2 1 +ATOM 2178 N N . ALA A 1 272 ? -48.185 -21.182 37.624 1.00 69.08 ? 272 ALA A N 1 +ATOM 2179 C CA . ALA A 1 272 ? -48.633 -21.287 36.231 1.00 69.86 ? 272 ALA A CA 1 +ATOM 2180 C C . ALA A 1 272 ? -48.624 -22.731 35.753 1.00 71.20 ? 272 ALA A C 1 +ATOM 2181 O O . ALA A 1 272 ? -49.546 -23.175 35.067 1.00 72.75 ? 272 ALA A O 1 +ATOM 2182 C CB . ALA A 1 272 ? -47.771 -20.432 35.311 1.00 68.46 ? 272 ALA A CB 1 +ATOM 2183 N N . PHE A 1 273 ? -47.571 -23.453 36.118 1.00 72.45 ? 273 PHE A N 1 +ATOM 2184 C CA . PHE A 1 273 ? -47.379 -24.835 35.694 1.00 74.22 ? 273 PHE A CA 1 +ATOM 2185 C C . PHE A 1 273 ? -48.456 -25.733 36.291 1.00 75.57 ? 273 PHE A C 1 +ATOM 2186 O O . PHE A 1 273 ? -49.024 -26.572 35.600 1.00 76.04 ? 273 PHE A O 1 +ATOM 2187 C CB . PHE A 1 273 ? -45.987 -25.312 36.118 1.00 74.43 ? 273 PHE A CB 1 +ATOM 2188 C CG . PHE A 1 273 ? -45.656 -26.717 35.693 1.00 73.72 ? 273 PHE A CG 1 +ATOM 2189 C CD1 . PHE A 1 273 ? -45.157 -26.974 34.414 1.00 75.31 ? 273 PHE A CD1 1 +ATOM 2190 C CD2 . PHE A 1 273 ? -45.811 -27.780 36.582 1.00 69.96 ? 273 PHE A CD2 1 +ATOM 2191 C CE1 . PHE A 1 273 ? -44.835 -28.267 34.018 1.00 66.91 ? 273 PHE A CE1 1 +ATOM 2192 C CE2 . PHE A 1 273 ? -45.497 -29.080 36.195 1.00 67.07 ? 273 PHE A CE2 1 +ATOM 2193 C CZ . PHE A 1 273 ? -45.004 -29.321 34.912 1.00 68.83 ? 273 PHE A CZ 1 +ATOM 2194 N N . TYR A 1 274 ? -48.734 -25.543 37.576 1.00 76.98 ? 274 TYR A N 1 +ATOM 2195 C CA . TYR A 1 274 ? -49.726 -26.343 38.284 1.00 77.82 ? 274 TYR A CA 1 +ATOM 2196 C C . TYR A 1 274 ? -51.112 -26.204 37.657 1.00 78.40 ? 274 TYR A C 1 +ATOM 2197 O O . TYR A 1 274 ? -51.779 -27.199 37.414 1.00 79.04 ? 274 TYR A O 1 +ATOM 2198 C CB . TYR A 1 274 ? -49.764 -25.937 39.753 1.00 77.18 ? 274 TYR A CB 1 +ATOM 2199 C CG . TYR A 1 274 ? -50.659 -26.790 40.608 1.00 81.63 ? 274 TYR A CG 1 +ATOM 2200 C CD1 . TYR A 1 274 ? -50.132 -27.817 41.388 1.00 87.13 ? 274 TYR A CD1 1 +ATOM 2201 C CD2 . TYR A 1 274 ? -52.033 -26.567 40.650 1.00 84.29 ? 274 TYR A CD2 1 +ATOM 2202 C CE1 . TYR A 1 274 ? -50.951 -28.606 42.188 1.00 87.69 ? 274 TYR A CE1 1 +ATOM 2203 C CE2 . TYR A 1 274 ? -52.862 -27.350 41.444 1.00 88.64 ? 274 TYR A CE2 1 +ATOM 2204 C CZ . TYR A 1 274 ? -52.313 -28.368 42.210 1.00 91.07 ? 274 TYR A CZ 1 +ATOM 2205 O OH . TYR A 1 274 ? -53.127 -29.148 42.999 1.00 96.19 ? 274 TYR A OH 1 +ATOM 2206 N N . ILE A 1 275 ? -51.531 -24.969 37.394 1.00 79.34 ? 275 ILE A N 1 +ATOM 2207 C CA . ILE A 1 275 ? -52.808 -24.693 36.722 1.00 79.98 ? 275 ILE A CA 1 +ATOM 2208 C C . ILE A 1 275 ? -52.891 -25.314 35.324 1.00 82.82 ? 275 ILE A C 1 +ATOM 2209 O O . ILE A 1 275 ? -53.957 -25.748 34.892 1.00 86.19 ? 275 ILE A O 1 +ATOM 2210 C CB . ILE A 1 275 ? -53.094 -23.163 36.645 1.00 79.07 ? 275 ILE A CB 1 +ATOM 2211 C CG1 . ILE A 1 275 ? -53.571 -22.655 38.005 1.00 74.66 ? 275 ILE A CG1 1 +ATOM 2212 C CG2 . ILE A 1 275 ? -54.127 -22.835 35.566 1.00 70.00 ? 275 ILE A CG2 1 +ATOM 2213 C CD1 . ILE A 1 275 ? -53.549 -21.170 38.122 1.00 74.33 ? 275 ILE A CD1 1 +ATOM 2214 N N . PHE A 1 276 ? -51.766 -25.348 34.622 1.00 85.07 ? 276 PHE A N 1 +ATOM 2215 C CA . PHE A 1 276 ? -51.704 -25.935 33.291 1.00 86.83 ? 276 PHE A CA 1 +ATOM 2216 C C . PHE A 1 276 ? -51.867 -27.451 33.388 1.00 89.90 ? 276 PHE A C 1 +ATOM 2217 O O . PHE A 1 276 ? -52.602 -28.050 32.614 1.00 90.69 ? 276 PHE A O 1 +ATOM 2218 C CB . PHE A 1 276 ? -50.367 -25.573 32.650 1.00 85.68 ? 276 PHE A CB 1 +ATOM 2219 C CG . PHE A 1 276 ? -50.293 -25.843 31.178 1.00 82.24 ? 276 PHE A CG 1 +ATOM 2220 C CD1 . PHE A 1 276 ? -50.681 -24.875 30.264 1.00 79.83 ? 276 PHE A CD1 1 +ATOM 2221 C CD2 . PHE A 1 276 ? -49.787 -27.050 30.703 1.00 81.70 ? 276 PHE A CD2 1 +ATOM 2222 C CE1 . PHE A 1 276 ? -50.589 -25.114 28.893 1.00 81.31 ? 276 PHE A CE1 1 +ATOM 2223 C CE2 . PHE A 1 276 ? -49.689 -27.299 29.338 1.00 77.73 ? 276 PHE A CE2 1 +ATOM 2224 C CZ . PHE A 1 276 ? -50.092 -26.331 28.432 1.00 80.61 ? 276 PHE A CZ 1 +ATOM 2225 N N . THR A 1 277 ? -51.190 -28.052 34.362 1.00 94.81 ? 277 THR A N 1 +ATOM 2226 C CA . THR A 1 277 ? -51.230 -29.494 34.603 1.00 98.65 ? 277 THR A CA 1 +ATOM 2227 C C . THR A 1 277 ? -52.554 -29.950 35.220 1.00 101.20 ? 277 THR A C 1 +ATOM 2228 O O . THR A 1 277 ? -53.020 -31.054 34.952 1.00 103.58 ? 277 THR A O 1 +ATOM 2229 C CB . THR A 1 277 ? -50.071 -29.934 35.532 1.00 98.32 ? 277 THR A CB 1 +ATOM 2230 O OG1 . THR A 1 277 ? -48.821 -29.555 34.951 1.00 99.60 ? 277 THR A OG1 1 +ATOM 2231 C CG2 . THR A 1 277 ? -50.074 -31.445 35.741 1.00 101.84 ? 277 THR A CG2 1 +ATOM 2232 N N . HIS A 1 278 ? -53.147 -29.104 36.057 1.00 104.11 ? 278 HIS A N 1 +ATOM 2233 C CA . HIS A 1 278 ? -54.397 -29.431 36.740 1.00 106.22 ? 278 HIS A CA 1 +ATOM 2234 C C . HIS A 1 278 ? -55.493 -28.500 36.246 1.00 109.92 ? 278 HIS A C 1 +ATOM 2235 O O . HIS A 1 278 ? -56.050 -27.718 37.026 1.00 111.81 ? 278 HIS A O 1 +ATOM 2236 C CB . HIS A 1 278 ? -54.240 -29.272 38.259 1.00 104.95 ? 278 HIS A CB 1 +ATOM 2237 C CG . HIS A 1 278 ? -53.209 -30.175 38.863 1.00 101.26 ? 278 HIS A CG 1 +ATOM 2238 N ND1 . HIS A 1 278 ? -51.928 -30.284 38.366 1.00 98.73 ? 278 HIS A ND1 1 +ATOM 2239 C CD2 . HIS A 1 278 ? -53.267 -30.998 39.936 1.00 100.21 ? 278 HIS A CD2 1 +ATOM 2240 C CE1 . HIS A 1 278 ? -51.246 -31.146 39.097 1.00 99.34 ? 278 HIS A CE1 1 +ATOM 2241 N NE2 . HIS A 1 278 ? -52.034 -31.593 40.057 1.00 99.98 ? 278 HIS A NE2 1 +ATOM 2242 N N . GLN A 1 279 ? -55.793 -28.574 34.951 1.00 112.68 ? 279 GLN A N 1 +ATOM 2243 C CA . GLN A 1 279 ? -56.748 -27.657 34.328 1.00 115.70 ? 279 GLN A CA 1 +ATOM 2244 C C . GLN A 1 279 ? -58.035 -27.528 35.150 1.00 115.28 ? 279 GLN A C 1 +ATOM 2245 O O . GLN A 1 279 ? -58.651 -28.532 35.518 1.00 114.52 ? 279 GLN A O 1 +ATOM 2246 C CB . GLN A 1 279 ? -57.050 -28.089 32.885 1.00 117.27 ? 279 GLN A CB 1 +ATOM 2247 C CG . GLN A 1 279 ? -57.954 -27.126 32.097 1.00 125.03 ? 279 GLN A CG 1 +ATOM 2248 C CD . GLN A 1 279 ? -57.424 -25.693 32.050 1.00 133.10 ? 279 GLN A CD 1 +ATOM 2249 O OE1 . GLN A 1 279 ? -56.212 -25.459 32.032 1.00 135.10 ? 279 GLN A OE1 1 +ATOM 2250 N NE2 . GLN A 1 279 ? -58.340 -24.728 32.027 1.00 133.74 ? 279 GLN A NE2 1 +ATOM 2251 N N . GLY A 1 280 ? -58.420 -26.287 35.447 1.00 115.50 ? 280 GLY A N 1 +ATOM 2252 C CA . GLY A 1 280 ? -59.615 -26.010 36.243 1.00 114.76 ? 280 GLY A CA 1 +ATOM 2253 C C . GLY A 1 280 ? -59.444 -26.430 37.691 1.00 114.37 ? 280 GLY A C 1 +ATOM 2254 O O . GLY A 1 280 ? -59.611 -27.603 38.033 1.00 114.00 ? 280 GLY A O 1 +ATOM 2255 N N . SER A 1 281 ? -59.098 -25.472 38.547 1.00 113.11 ? 281 SER A N 1 +ATOM 2256 C CA . SER A 1 281 ? -58.916 -25.750 39.973 1.00 111.01 ? 281 SER A CA 1 +ATOM 2257 C C . SER A 1 281 ? -59.387 -24.580 40.833 1.00 107.56 ? 281 SER A C 1 +ATOM 2258 O O . SER A 1 281 ? -59.395 -23.432 40.390 1.00 106.95 ? 281 SER A O 1 +ATOM 2259 C CB . SER A 1 281 ? -57.448 -26.075 40.279 1.00 111.94 ? 281 SER A CB 1 +ATOM 2260 O OG . SER A 1 281 ? -57.017 -27.237 39.585 1.00 113.08 ? 281 SER A OG 1 +ATOM 2261 N N . ASP A 1 282 ? -59.787 -24.876 42.063 1.00 103.72 ? 282 ASP A N 1 +ATOM 2262 C CA . ASP A 1 282 ? -60.178 -23.827 42.990 1.00 100.52 ? 282 ASP A CA 1 +ATOM 2263 C C . ASP A 1 282 ? -58.948 -23.091 43.509 1.00 96.79 ? 282 ASP A C 1 +ATOM 2264 O O . ASP A 1 282 ? -58.287 -23.555 44.441 1.00 96.59 ? 282 ASP A O 1 +ATOM 2265 C CB . ASP A 1 282 ? -60.970 -24.400 44.169 1.00 101.64 ? 282 ASP A CB 1 +ATOM 2266 C CG . ASP A 1 282 ? -61.592 -23.312 45.040 1.00 106.10 ? 282 ASP A CG 1 +ATOM 2267 O OD1 . ASP A 1 282 ? -61.407 -22.115 44.730 1.00 111.53 ? 282 ASP A OD1 1 +ATOM 2268 O OD2 . ASP A 1 282 ? -62.271 -23.650 46.034 1.00 111.08 ? 282 ASP A OD2 1 +ATOM 2269 N N . PHE A 1 283 ? -58.640 -21.950 42.903 1.00 91.08 ? 283 PHE A N 1 +ATOM 2270 C CA . PHE A 1 283 ? -57.577 -21.094 43.416 1.00 86.36 ? 283 PHE A CA 1 +ATOM 2271 C C . PHE A 1 283 ? -58.083 -19.732 43.877 1.00 81.36 ? 283 PHE A C 1 +ATOM 2272 O O . PHE A 1 283 ? -58.603 -18.951 43.084 1.00 80.02 ? 283 PHE A O 1 +ATOM 2273 C CB . PHE A 1 283 ? -56.429 -20.964 42.411 1.00 87.50 ? 283 PHE A CB 1 +ATOM 2274 C CG . PHE A 1 283 ? -55.340 -21.980 42.619 1.00 94.66 ? 283 PHE A CG 1 +ATOM 2275 C CD1 . PHE A 1 283 ? -54.601 -22.464 41.548 1.00 97.97 ? 283 PHE A CD1 1 +ATOM 2276 C CD2 . PHE A 1 283 ? -55.071 -22.474 43.900 1.00 97.38 ? 283 PHE A CD2 1 +ATOM 2277 C CE1 . PHE A 1 283 ? -53.601 -23.412 41.749 1.00 99.64 ? 283 PHE A CE1 1 +ATOM 2278 C CE2 . PHE A 1 283 ? -54.079 -23.425 44.110 1.00 95.07 ? 283 PHE A CE2 1 +ATOM 2279 C CZ . PHE A 1 283 ? -53.342 -23.895 43.034 1.00 97.14 ? 283 PHE A CZ 1 +ATOM 2280 N N . GLY A 1 284 ? -57.916 -19.457 45.167 1.00 76.78 ? 284 GLY A N 1 +ATOM 2281 C CA . GLY A 1 284 ? -58.442 -18.242 45.774 1.00 73.21 ? 284 GLY A CA 1 +ATOM 2282 C C . GLY A 1 284 ? -57.752 -16.958 45.355 1.00 71.09 ? 284 GLY A C 1 +ATOM 2283 O O . GLY A 1 284 ? -56.691 -16.987 44.738 1.00 72.27 ? 284 GLY A O 1 +ATOM 2284 N N . PRO A 1 285 ? -58.354 -15.810 45.700 1.00 69.25 ? 285 PRO A N 1 +ATOM 2285 C CA . PRO A 1 285 ? -57.815 -14.496 45.347 1.00 68.13 ? 285 PRO A CA 1 +ATOM 2286 C C . PRO A 1 285 ? -56.524 -14.140 46.100 1.00 67.29 ? 285 PRO A C 1 +ATOM 2287 O O . PRO A 1 285 ? -55.644 -13.495 45.529 1.00 65.56 ? 285 PRO A O 1 +ATOM 2288 C CB . PRO A 1 285 ? -58.944 -13.542 45.748 1.00 68.16 ? 285 PRO A CB 1 +ATOM 2289 C CG . PRO A 1 285 ? -59.672 -14.269 46.829 1.00 67.41 ? 285 PRO A CG 1 +ATOM 2290 C CD . PRO A 1 285 ? -59.619 -15.708 46.448 1.00 66.95 ? 285 PRO A CD 1 +ATOM 2291 N N . ILE A 1 286 ? -56.425 -14.544 47.367 1.00 65.65 ? 286 ILE A N 1 +ATOM 2292 C CA . ILE A 1 286 ? -55.228 -14.291 48.175 1.00 65.77 ? 286 ILE A CA 1 +ATOM 2293 C C . ILE A 1 286 ? -54.048 -15.142 47.670 1.00 65.65 ? 286 ILE A C 1 +ATOM 2294 O O . ILE A 1 286 ? -52.961 -14.623 47.400 1.00 63.10 ? 286 ILE A O 1 +ATOM 2295 C CB . ILE A 1 286 ? -55.490 -14.572 49.691 1.00 66.58 ? 286 ILE A CB 1 +ATOM 2296 C CG1 . ILE A 1 286 ? -56.637 -13.702 50.228 1.00 67.17 ? 286 ILE A CG1 1 +ATOM 2297 C CG2 . ILE A 1 286 ? -54.203 -14.440 50.526 1.00 61.92 ? 286 ILE A CG2 1 +ATOM 2298 C CD1 . ILE A 1 286 ? -56.224 -12.385 50.833 1.00 71.42 ? 286 ILE A CD1 1 +ATOM 2299 N N . PHE A 1 287 ? -54.275 -16.445 47.540 1.00 64.11 ? 287 PHE A N 1 +ATOM 2300 C CA . PHE A 1 287 ? -53.261 -17.358 47.027 1.00 64.69 ? 287 PHE A CA 1 +ATOM 2301 C C . PHE A 1 287 ? -52.752 -16.930 45.635 1.00 65.05 ? 287 PHE A C 1 +ATOM 2302 O O . PHE A 1 287 ? -51.578 -17.113 45.305 1.00 66.27 ? 287 PHE A O 1 +ATOM 2303 C CB . PHE A 1 287 ? -53.812 -18.792 47.010 1.00 64.50 ? 287 PHE A CB 1 +ATOM 2304 C CG . PHE A 1 287 ? -53.013 -19.746 46.169 1.00 65.25 ? 287 PHE A CG 1 +ATOM 2305 C CD1 . PHE A 1 287 ? -52.213 -20.715 46.770 1.00 64.87 ? 287 PHE A CD1 1 +ATOM 2306 C CD2 . PHE A 1 287 ? -53.063 -19.679 44.775 1.00 61.08 ? 287 PHE A CD2 1 +ATOM 2307 C CE1 . PHE A 1 287 ? -51.464 -21.599 45.996 1.00 65.18 ? 287 PHE A CE1 1 +ATOM 2308 C CE2 . PHE A 1 287 ? -52.314 -20.549 43.994 1.00 65.48 ? 287 PHE A CE2 1 +ATOM 2309 C CZ . PHE A 1 287 ? -51.510 -21.514 44.604 1.00 62.52 ? 287 PHE A CZ 1 +ATOM 2310 N N . MET A 1 288 ? -53.631 -16.352 44.825 1.00 63.45 ? 288 MET A N 1 +ATOM 2311 C CA . MET A 1 288 ? -53.229 -15.859 43.514 1.00 62.76 ? 288 MET A CA 1 +ATOM 2312 C C . MET A 1 288 ? -52.444 -14.547 43.608 1.00 63.01 ? 288 MET A C 1 +ATOM 2313 O O . MET A 1 288 ? -51.911 -14.055 42.612 1.00 62.91 ? 288 MET A O 1 +ATOM 2314 C CB . MET A 1 288 ? -54.448 -15.700 42.595 1.00 63.60 ? 288 MET A CB 1 +ATOM 2315 C CG . MET A 1 288 ? -55.035 -17.015 42.103 1.00 61.81 ? 288 MET A CG 1 +ATOM 2316 S SD . MET A 1 288 ? -53.856 -18.031 41.170 1.00 65.86 ? 288 MET A SD 1 +ATOM 2317 C CE . MET A 1 288 ? -54.039 -17.332 39.524 1.00 60.95 ? 288 MET A CE 1 +ATOM 2318 N N . THR A 1 289 ? -52.374 -13.981 44.810 1.00 64.41 ? 289 THR A N 1 +ATOM 2319 C CA . THR A 1 289 ? -51.587 -12.766 45.038 1.00 64.43 ? 289 THR A CA 1 +ATOM 2320 C C . THR A 1 289 ? -50.120 -13.095 45.397 1.00 65.04 ? 289 THR A C 1 +ATOM 2321 O O . THR A 1 289 ? -49.224 -12.264 45.195 1.00 63.75 ? 289 THR A O 1 +ATOM 2322 C CB . THR A 1 289 ? -52.245 -11.835 46.103 1.00 62.63 ? 289 THR A CB 1 +ATOM 2323 O OG1 . THR A 1 289 ? -53.554 -11.448 45.664 1.00 59.79 ? 289 THR A OG1 1 +ATOM 2324 C CG2 . THR A 1 289 ? -51.416 -10.571 46.317 1.00 64.01 ? 289 THR A CG2 1 +ATOM 2325 N N . ILE A 1 290 ? -49.888 -14.315 45.892 1.00 63.73 ? 290 ILE A N 1 +ATOM 2326 C CA . ILE A 1 290 ? -48.559 -14.758 46.324 1.00 63.62 ? 290 ILE A CA 1 +ATOM 2327 C C . ILE A 1 290 ? -47.461 -14.613 45.240 1.00 66.14 ? 290 ILE A C 1 +ATOM 2328 O O . ILE A 1 290 ? -46.423 -14.002 45.490 1.00 66.55 ? 290 ILE A O 1 +ATOM 2329 C CB . ILE A 1 290 ? -48.603 -16.197 46.907 1.00 62.26 ? 290 ILE A CB 1 +ATOM 2330 C CG1 . ILE A 1 290 ? -49.385 -16.212 48.226 1.00 65.63 ? 290 ILE A CG1 1 +ATOM 2331 C CG2 . ILE A 1 290 ? -47.193 -16.760 47.114 1.00 57.36 ? 290 ILE A CG2 1 +ATOM 2332 C CD1 . ILE A 1 290 ? -49.596 -17.624 48.836 1.00 61.82 ? 290 ILE A CD1 1 +ATOM 2333 N N . PRO A 1 291 ? -47.680 -15.166 44.033 1.00 67.04 ? 291 PRO A N 1 +ATOM 2334 C CA . PRO A 1 291 ? -46.654 -14.954 43.003 1.00 66.39 ? 291 PRO A CA 1 +ATOM 2335 C C . PRO A 1 291 ? -46.315 -13.475 42.763 1.00 65.63 ? 291 PRO A C 1 +ATOM 2336 O O . PRO A 1 291 ? -45.174 -13.154 42.428 1.00 68.97 ? 291 PRO A O 1 +ATOM 2337 C CB . PRO A 1 291 ? -47.270 -15.575 41.734 1.00 64.77 ? 291 PRO A CB 1 +ATOM 2338 C CG . PRO A 1 291 ? -48.692 -15.897 42.080 1.00 68.17 ? 291 PRO A CG 1 +ATOM 2339 C CD . PRO A 1 291 ? -48.760 -16.051 43.567 1.00 66.79 ? 291 PRO A CD 1 +ATOM 2340 N N . ALA A 1 292 ? -47.288 -12.583 42.930 1.00 63.63 ? 292 ALA A N 1 +ATOM 2341 C CA . ALA A 1 292 ? -47.054 -11.154 42.707 1.00 60.18 ? 292 ALA A CA 1 +ATOM 2342 C C . ALA A 1 292 ? -46.195 -10.564 43.817 1.00 58.57 ? 292 ALA A C 1 +ATOM 2343 O O . ALA A 1 292 ? -45.338 -9.722 43.570 1.00 57.05 ? 292 ALA A O 1 +ATOM 2344 C CB . ALA A 1 292 ? -48.369 -10.409 42.602 1.00 60.34 ? 292 ALA A CB 1 +ATOM 2345 N N . PHE A 1 293 ? -46.448 -11.013 45.044 1.00 57.82 ? 293 PHE A N 1 +ATOM 2346 C CA . PHE A 1 293 ? -45.718 -10.567 46.217 1.00 55.81 ? 293 PHE A CA 1 +ATOM 2347 C C . PHE A 1 293 ? -44.238 -10.856 45.999 1.00 56.27 ? 293 PHE A C 1 +ATOM 2348 O O . PHE A 1 293 ? -43.395 -9.963 46.143 1.00 58.04 ? 293 PHE A O 1 +ATOM 2349 C CB . PHE A 1 293 ? -46.284 -11.268 47.458 1.00 56.23 ? 293 PHE A CB 1 +ATOM 2350 C CG . PHE A 1 293 ? -45.294 -11.452 48.586 1.00 69.45 ? 293 PHE A CG 1 +ATOM 2351 C CD1 . PHE A 1 293 ? -45.297 -10.595 49.685 1.00 75.31 ? 293 PHE A CD1 1 +ATOM 2352 C CD2 . PHE A 1 293 ? -44.386 -12.512 48.576 1.00 72.56 ? 293 PHE A CD2 1 +ATOM 2353 C CE1 . PHE A 1 293 ? -44.393 -10.776 50.742 1.00 76.40 ? 293 PHE A CE1 1 +ATOM 2354 C CE2 . PHE A 1 293 ? -43.479 -12.693 49.628 1.00 77.10 ? 293 PHE A CE2 1 +ATOM 2355 C CZ . PHE A 1 293 ? -43.484 -11.824 50.711 1.00 71.38 ? 293 PHE A CZ 1 +ATOM 2356 N N . PHE A 1 294 ? -43.927 -12.089 45.604 1.00 54.88 ? 294 PHE A N 1 +ATOM 2357 C CA . PHE A 1 294 ? -42.545 -12.478 45.365 1.00 52.77 ? 294 PHE A CA 1 +ATOM 2358 C C . PHE A 1 294 ? -41.890 -11.673 44.237 1.00 54.03 ? 294 PHE A C 1 +ATOM 2359 O O . PHE A 1 294 ? -40.771 -11.173 44.405 1.00 55.45 ? 294 PHE A O 1 +ATOM 2360 C CB . PHE A 1 294 ? -42.424 -13.985 45.156 1.00 51.41 ? 294 PHE A CB 1 +ATOM 2361 C CG . PHE A 1 294 ? -42.458 -14.769 46.443 1.00 57.56 ? 294 PHE A CG 1 +ATOM 2362 C CD1 . PHE A 1 294 ? -41.299 -14.959 47.188 1.00 55.36 ? 294 PHE A CD1 1 +ATOM 2363 C CD2 . PHE A 1 294 ? -43.651 -15.299 46.924 1.00 56.30 ? 294 PHE A CD2 1 +ATOM 2364 C CE1 . PHE A 1 294 ? -41.329 -15.665 48.392 1.00 54.98 ? 294 PHE A CE1 1 +ATOM 2365 C CE2 . PHE A 1 294 ? -43.686 -16.006 48.127 1.00 56.57 ? 294 PHE A CE2 1 +ATOM 2366 C CZ . PHE A 1 294 ? -42.524 -16.189 48.862 1.00 50.03 ? 294 PHE A CZ 1 +ATOM 2367 N N . ALA A 1 295 ? -42.579 -11.508 43.111 1.00 50.45 ? 295 ALA A N 1 +ATOM 2368 C CA . ALA A 1 295 ? -41.992 -10.739 42.018 1.00 52.81 ? 295 ALA A CA 1 +ATOM 2369 C C . ALA A 1 295 ? -41.837 -9.253 42.360 1.00 54.30 ? 295 ALA A C 1 +ATOM 2370 O O . ALA A 1 295 ? -40.757 -8.678 42.202 1.00 55.16 ? 295 ALA A O 1 +ATOM 2371 C CB . ALA A 1 295 ? -42.778 -10.923 40.715 1.00 53.52 ? 295 ALA A CB 1 +ATOM 2372 N N . LYS A 1 296 ? -42.913 -8.633 42.831 1.00 55.85 ? 296 LYS A N 1 +ATOM 2373 C CA . LYS A 1 296 ? -42.913 -7.191 43.079 1.00 55.00 ? 296 LYS A CA 1 +ATOM 2374 C C . LYS A 1 296 ? -41.886 -6.771 44.135 1.00 51.85 ? 296 LYS A C 1 +ATOM 2375 O O . LYS A 1 296 ? -41.322 -5.684 44.051 1.00 48.20 ? 296 LYS A O 1 +ATOM 2376 C CB . LYS A 1 296 ? -44.313 -6.692 43.463 1.00 56.08 ? 296 LYS A CB 1 +ATOM 2377 C CG . LYS A 1 296 ? -45.277 -6.544 42.297 1.00 56.47 ? 296 LYS A CG 1 +ATOM 2378 C CD . LYS A 1 296 ? -46.618 -5.979 42.765 1.00 64.77 ? 296 LYS A CD 1 +ATOM 2379 C CE . LYS A 1 296 ? -47.510 -5.553 41.604 1.00 57.97 ? 296 LYS A CE 1 +ATOM 2380 N NZ . LYS A 1 296 ? -47.656 -6.624 40.600 1.00 65.14 ? 296 LYS A NZ 1 +ATOM 2381 N N . THR A 1 297 ? -41.644 -7.633 45.118 1.00 49.57 ? 297 THR A N 1 +ATOM 2382 C CA . THR A 1 297 ? -40.698 -7.298 46.181 1.00 50.40 ? 297 THR A CA 1 +ATOM 2383 C C . THR A 1 297 ? -39.256 -7.237 45.662 1.00 49.98 ? 297 THR A C 1 +ATOM 2384 O O . THR A 1 297 ? -38.385 -6.635 46.289 1.00 50.00 ? 297 THR A O 1 +ATOM 2385 C CB . THR A 1 297 ? -40.842 -8.245 47.391 1.00 50.39 ? 297 THR A CB 1 +ATOM 2386 O OG1 . THR A 1 297 ? -42.173 -8.135 47.899 1.00 53.17 ? 297 THR A OG1 1 +ATOM 2387 C CG2 . THR A 1 297 ? -39.858 -7.885 48.509 1.00 42.57 ? 297 THR A CG2 1 +ATOM 2388 N N . SER A 1 298 ? -39.013 -7.825 44.498 1.00 49.50 ? 298 SER A N 1 +ATOM 2389 C CA . SER A 1 298 ? -37.683 -7.765 43.905 1.00 48.18 ? 298 SER A CA 1 +ATOM 2390 C C . SER A 1 298 ? -37.321 -6.334 43.520 1.00 47.41 ? 298 SER A C 1 +ATOM 2391 O O . SER A 1 298 ? -36.152 -6.033 43.296 1.00 49.80 ? 298 SER A O 1 +ATOM 2392 C CB . SER A 1 298 ? -37.571 -8.679 42.688 1.00 46.96 ? 298 SER A CB 1 +ATOM 2393 O OG . SER A 1 298 ? -38.210 -8.079 41.583 1.00 40.80 ? 298 SER A OG 1 +ATOM 2394 N N . ALA A 1 299 ? -38.307 -5.446 43.449 1.00 43.80 ? 299 ALA A N 1 +ATOM 2395 C CA . ALA A 1 299 ? -37.996 -4.040 43.199 1.00 43.67 ? 299 ALA A CA 1 +ATOM 2396 C C . ALA A 1 299 ? -37.190 -3.447 44.361 1.00 44.76 ? 299 ALA A C 1 +ATOM 2397 O O . ALA A 1 299 ? -36.520 -2.421 44.212 1.00 44.91 ? 299 ALA A O 1 +ATOM 2398 C CB . ALA A 1 299 ? -39.257 -3.240 42.941 1.00 42.96 ? 299 ALA A CB 1 +ATOM 2399 N N . VAL A 1 300 ? -37.256 -4.109 45.517 1.00 44.31 ? 300 VAL A N 1 +ATOM 2400 C CA . VAL A 1 300 ? -36.433 -3.762 46.661 1.00 41.46 ? 300 VAL A CA 1 +ATOM 2401 C C . VAL A 1 300 ? -35.192 -4.673 46.757 1.00 45.29 ? 300 VAL A C 1 +ATOM 2402 O O . VAL A 1 300 ? -34.074 -4.173 46.841 1.00 48.19 ? 300 VAL A O 1 +ATOM 2403 C CB . VAL A 1 300 ? -37.261 -3.810 47.957 1.00 43.21 ? 300 VAL A CB 1 +ATOM 2404 C CG1 . VAL A 1 300 ? -36.381 -3.724 49.227 1.00 37.28 ? 300 VAL A CG1 1 +ATOM 2405 C CG2 . VAL A 1 300 ? -38.289 -2.712 47.944 1.00 49.13 ? 300 VAL A CG2 1 +ATOM 2406 N N . TYR A 1 301 ? -35.355 -5.996 46.723 1.00 44.42 ? 301 TYR A N 1 +ATOM 2407 C CA . TYR A 1 301 ? -34.194 -6.846 47.004 1.00 47.85 ? 301 TYR A CA 1 +ATOM 2408 C C . TYR A 1 301 ? -33.176 -6.982 45.874 1.00 49.76 ? 301 TYR A C 1 +ATOM 2409 O O . TYR A 1 301 ? -31.984 -7.136 46.149 1.00 52.79 ? 301 TYR A O 1 +ATOM 2410 C CB . TYR A 1 301 ? -34.553 -8.208 47.640 1.00 46.80 ? 301 TYR A CB 1 +ATOM 2411 C CG . TYR A 1 301 ? -35.433 -9.126 46.816 1.00 53.65 ? 301 TYR A CG 1 +ATOM 2412 C CD1 . TYR A 1 301 ? -34.912 -9.861 45.745 1.00 54.20 ? 301 TYR A CD1 1 +ATOM 2413 C CD2 . TYR A 1 301 ? -36.776 -9.292 47.134 1.00 49.15 ? 301 TYR A CD2 1 +ATOM 2414 C CE1 . TYR A 1 301 ? -35.716 -10.704 45.003 1.00 49.91 ? 301 TYR A CE1 1 +ATOM 2415 C CE2 . TYR A 1 301 ? -37.583 -10.134 46.405 1.00 52.02 ? 301 TYR A CE2 1 +ATOM 2416 C CZ . TYR A 1 301 ? -37.054 -10.836 45.340 1.00 57.08 ? 301 TYR A CZ 1 +ATOM 2417 O OH . TYR A 1 301 ? -37.878 -11.666 44.613 1.00 60.79 ? 301 TYR A OH 1 +ATOM 2418 N N . ASN A 1 302 ? -33.620 -6.913 44.618 1.00 50.37 ? 302 ASN A N 1 +ATOM 2419 C CA . ASN A 1 302 ? -32.670 -6.909 43.497 1.00 50.33 ? 302 ASN A CA 1 +ATOM 2420 C C . ASN A 1 302 ? -31.618 -5.808 43.633 1.00 51.40 ? 302 ASN A C 1 +ATOM 2421 O O . ASN A 1 302 ? -30.432 -6.100 43.588 1.00 55.32 ? 302 ASN A O 1 +ATOM 2422 C CB . ASN A 1 302 ? -33.363 -6.786 42.146 1.00 50.31 ? 302 ASN A CB 1 +ATOM 2423 C CG . ASN A 1 302 ? -33.793 -8.124 41.570 1.00 52.84 ? 302 ASN A CG 1 +ATOM 2424 O OD1 . ASN A 1 302 ? -33.481 -9.193 42.101 1.00 47.99 ? 302 ASN A OD1 1 +ATOM 2425 N ND2 . ASN A 1 302 ? -34.507 -8.063 40.454 1.00 53.36 ? 302 ASN A ND2 1 +ATOM 2426 N N . PRO A 1 303 ? -32.044 -4.540 43.816 1.00 50.79 ? 303 PRO A N 1 +ATOM 2427 C CA . PRO A 1 303 ? -31.048 -3.469 44.013 1.00 50.03 ? 303 PRO A CA 1 +ATOM 2428 C C . PRO A 1 303 ? -30.203 -3.639 45.291 1.00 49.95 ? 303 PRO A C 1 +ATOM 2429 O O . PRO A 1 303 ? -29.064 -3.173 45.349 1.00 51.20 ? 303 PRO A O 1 +ATOM 2430 C CB . PRO A 1 303 ? -31.893 -2.189 44.104 1.00 49.27 ? 303 PRO A CB 1 +ATOM 2431 C CG . PRO A 1 303 ? -33.284 -2.577 43.675 1.00 49.63 ? 303 PRO A CG 1 +ATOM 2432 C CD . PRO A 1 303 ? -33.432 -4.041 43.877 1.00 49.36 ? 303 PRO A CD 1 +ATOM 2433 N N . VAL A 1 304 ? -30.745 -4.290 46.313 1.00 46.64 ? 304 VAL A N 1 +ATOM 2434 C CA . VAL A 1 304 ? -29.934 -4.584 47.482 1.00 44.72 ? 304 VAL A CA 1 +ATOM 2435 C C . VAL A 1 304 ? -28.786 -5.496 47.046 1.00 46.47 ? 304 VAL A C 1 +ATOM 2436 O O . VAL A 1 304 ? -27.621 -5.201 47.277 1.00 46.02 ? 304 VAL A O 1 +ATOM 2437 C CB . VAL A 1 304 ? -30.774 -5.208 48.623 1.00 44.17 ? 304 VAL A CB 1 +ATOM 2438 C CG1 . VAL A 1 304 ? -29.892 -5.788 49.707 1.00 32.84 ? 304 VAL A CG1 1 +ATOM 2439 C CG2 . VAL A 1 304 ? -31.694 -4.159 49.217 1.00 44.07 ? 304 VAL A CG2 1 +ATOM 2440 N N . ILE A 1 305 ? -29.125 -6.585 46.372 1.00 49.00 ? 305 ILE A N 1 +ATOM 2441 C CA . ILE A 1 305 ? -28.136 -7.536 45.881 1.00 47.33 ? 305 ILE A CA 1 +ATOM 2442 C C . ILE A 1 305 ? -27.180 -6.947 44.829 1.00 47.18 ? 305 ILE A C 1 +ATOM 2443 O O . ILE A 1 305 ? -25.958 -7.047 44.969 1.00 48.87 ? 305 ILE A O 1 +ATOM 2444 C CB . ILE A 1 305 ? -28.845 -8.788 45.354 1.00 47.73 ? 305 ILE A CB 1 +ATOM 2445 C CG1 . ILE A 1 305 ? -29.381 -9.593 46.545 1.00 49.53 ? 305 ILE A CG1 1 +ATOM 2446 C CG2 . ILE A 1 305 ? -27.908 -9.631 44.496 1.00 44.71 ? 305 ILE A CG2 1 +ATOM 2447 C CD1 . ILE A 1 305 ? -30.560 -10.453 46.222 1.00 48.78 ? 305 ILE A CD1 1 +ATOM 2448 N N . TYR A 1 306 ? -27.737 -6.296 43.812 1.00 46.48 ? 306 TYR A N 1 +ATOM 2449 C CA . TYR A 1 306 ? -26.985 -5.873 42.623 1.00 46.47 ? 306 TYR A CA 1 +ATOM 2450 C C . TYR A 1 306 ? -26.445 -4.448 42.650 1.00 47.38 ? 306 TYR A C 1 +ATOM 2451 O O . TYR A 1 306 ? -25.689 -4.054 41.762 1.00 49.92 ? 306 TYR A O 1 +ATOM 2452 C CB . TYR A 1 306 ? -27.852 -6.032 41.377 1.00 43.09 ? 306 TYR A CB 1 +ATOM 2453 C CG . TYR A 1 306 ? -28.157 -7.460 41.043 1.00 47.24 ? 306 TYR A CG 1 +ATOM 2454 C CD1 . TYR A 1 306 ? -29.255 -8.109 41.599 1.00 44.56 ? 306 TYR A CD1 1 +ATOM 2455 C CD2 . TYR A 1 306 ? -27.349 -8.166 40.168 1.00 52.22 ? 306 TYR A CD2 1 +ATOM 2456 C CE1 . TYR A 1 306 ? -29.530 -9.424 41.293 1.00 48.98 ? 306 TYR A CE1 1 +ATOM 2457 C CE2 . TYR A 1 306 ? -27.619 -9.475 39.853 1.00 56.85 ? 306 TYR A CE2 1 +ATOM 2458 C CZ . TYR A 1 306 ? -28.704 -10.099 40.415 1.00 55.95 ? 306 TYR A CZ 1 +ATOM 2459 O OH . TYR A 1 306 ? -28.951 -11.404 40.085 1.00 66.14 ? 306 TYR A OH 1 +ATOM 2460 N N . ILE A 1 307 ? -26.856 -3.664 43.636 1.00 46.63 ? 307 ILE A N 1 +ATOM 2461 C CA . ILE A 1 307 ? -26.405 -2.281 43.737 1.00 46.82 ? 307 ILE A CA 1 +ATOM 2462 C C . ILE A 1 307 ? -25.801 -2.050 45.123 1.00 49.09 ? 307 ILE A C 1 +ATOM 2463 O O . ILE A 1 307 ? -24.601 -1.825 45.260 1.00 47.83 ? 307 ILE A O 1 +ATOM 2464 C CB . ILE A 1 307 ? -27.556 -1.280 43.482 1.00 45.56 ? 307 ILE A CB 1 +ATOM 2465 C CG1 . ILE A 1 307 ? -28.275 -1.599 42.170 1.00 38.52 ? 307 ILE A CG1 1 +ATOM 2466 C CG2 . ILE A 1 307 ? -27.048 0.150 43.485 1.00 44.26 ? 307 ILE A CG2 1 +ATOM 2467 C CD1 . ILE A 1 307 ? -27.483 -1.285 40.951 1.00 44.18 ? 307 ILE A CD1 1 +ATOM 2468 N N . MET A 1 308 ? -26.625 -2.139 46.159 1.00 49.82 ? 308 MET A N 1 +ATOM 2469 C CA . MET A 1 308 ? -26.118 -1.901 47.502 1.00 50.20 ? 308 MET A CA 1 +ATOM 2470 C C . MET A 1 308 ? -24.972 -2.815 47.864 1.00 47.31 ? 308 MET A C 1 +ATOM 2471 O O . MET A 1 308 ? -24.092 -2.418 48.612 1.00 50.05 ? 308 MET A O 1 +ATOM 2472 C CB . MET A 1 308 ? -27.233 -1.925 48.548 1.00 51.02 ? 308 MET A CB 1 +ATOM 2473 C CG . MET A 1 308 ? -27.999 -0.595 48.602 1.00 59.35 ? 308 MET A CG 1 +ATOM 2474 S SD . MET A 1 308 ? -29.415 -0.603 49.726 1.00 88.32 ? 308 MET A SD 1 +ATOM 2475 C CE . MET A 1 308 ? -28.656 -0.807 51.352 1.00 76.19 ? 308 MET A CE 1 +ATOM 2476 N N . MET A 1 309 ? -24.951 -4.020 47.304 1.00 46.70 ? 309 MET A N 1 +ATOM 2477 C CA . MET A 1 309 ? -23.889 -4.982 47.622 1.00 48.91 ? 309 MET A CA 1 +ATOM 2478 C C . MET A 1 309 ? -22.695 -4.893 46.668 1.00 49.55 ? 309 MET A C 1 +ATOM 2479 O O . MET A 1 309 ? -21.739 -5.663 46.764 1.00 48.71 ? 309 MET A O 1 +ATOM 2480 C CB . MET A 1 309 ? -24.436 -6.409 47.685 1.00 48.17 ? 309 MET A CB 1 +ATOM 2481 C CG . MET A 1 309 ? -24.982 -6.778 49.052 1.00 53.57 ? 309 MET A CG 1 +ATOM 2482 S SD . MET A 1 309 ? -25.629 -8.461 49.155 1.00 63.46 ? 309 MET A SD 1 +ATOM 2483 C CE . MET A 1 309 ? -25.347 -8.828 50.900 1.00 82.30 ? 309 MET A CE 1 +ATOM 2484 N N . ASN A 1 310 ? -22.767 -3.942 45.748 1.00 49.01 ? 310 ASN A N 1 +ATOM 2485 C CA . ASN A 1 310 ? -21.684 -3.653 44.836 1.00 47.26 ? 310 ASN A CA 1 +ATOM 2486 C C . ASN A 1 310 ? -20.813 -2.547 45.471 1.00 50.59 ? 310 ASN A C 1 +ATOM 2487 O O . ASN A 1 310 ? -21.277 -1.424 45.732 1.00 49.39 ? 310 ASN A O 1 +ATOM 2488 C CB . ASN A 1 310 ? -22.294 -3.263 43.485 1.00 46.95 ? 310 ASN A CB 1 +ATOM 2489 C CG . ASN A 1 310 ? -21.274 -2.787 42.472 1.00 48.49 ? 310 ASN A CG 1 +ATOM 2490 O OD1 . ASN A 1 310 ? -20.427 -1.945 42.767 1.00 56.97 ? 310 ASN A OD1 1 +ATOM 2491 N ND2 . ASN A 1 310 ? -21.384 -3.293 41.249 1.00 50.33 ? 310 ASN A ND2 1 +ATOM 2492 N N . LYS A 1 311 ? -19.561 -2.901 45.755 1.00 53.01 ? 311 LYS A N 1 +ATOM 2493 C CA . LYS A 1 311 ? -18.607 -2.038 46.446 1.00 54.80 ? 311 LYS A CA 1 +ATOM 2494 C C . LYS A 1 311 ? -18.612 -0.594 45.929 1.00 58.29 ? 311 LYS A C 1 +ATOM 2495 O O . LYS A 1 311 ? -18.672 0.368 46.713 1.00 59.34 ? 311 LYS A O 1 +ATOM 2496 C CB . LYS A 1 311 ? -17.214 -2.640 46.306 1.00 56.21 ? 311 LYS A CB 1 +ATOM 2497 C CG . LYS A 1 311 ? -16.159 -2.040 47.204 1.00 66.94 ? 311 LYS A CG 1 +ATOM 2498 C CD . LYS A 1 311 ? -14.875 -2.875 47.200 1.00 78.11 ? 311 LYS A CD 1 +ATOM 2499 C CE . LYS A 1 311 ? -14.052 -2.577 48.452 1.00 83.95 ? 311 LYS A CE 1 +ATOM 2500 N NZ . LYS A 1 311 ? -12.688 -3.151 48.383 1.00 87.72 ? 311 LYS A NZ 1 +ATOM 2501 N N . GLN A 1 312 ? -18.552 -0.438 44.609 1.00 59.28 ? 312 GLN A N 1 +ATOM 2502 C CA . GLN A 1 312 ? -18.513 0.892 44.017 1.00 58.23 ? 312 GLN A CA 1 +ATOM 2503 C C . GLN A 1 312 ? -19.783 1.685 44.280 1.00 54.80 ? 312 GLN A C 1 +ATOM 2504 O O . GLN A 1 312 ? -19.717 2.765 44.873 1.00 61.64 ? 312 GLN A O 1 +ATOM 2505 C CB . GLN A 1 312 ? -18.203 0.833 42.525 1.00 60.52 ? 312 GLN A CB 1 +ATOM 2506 C CG . GLN A 1 312 ? -16.739 1.070 42.197 1.00 71.07 ? 312 GLN A CG 1 +ATOM 2507 C CD . GLN A 1 312 ? -16.574 1.835 40.888 1.00 91.63 ? 312 GLN A CD 1 +ATOM 2508 O OE1 . GLN A 1 312 ? -17.215 1.514 39.879 1.00 97.38 ? 312 GLN A OE1 1 +ATOM 2509 N NE2 . GLN A 1 312 ? -15.720 2.858 40.899 1.00 91.82 ? 312 GLN A NE2 1 +ATOM 2510 N N . PHE A 1 313 ? -20.935 1.161 43.867 0.50 45.34 ? 313 PHE A N 1 +ATOM 2511 C CA . PHE A 1 313 ? -22.181 1.881 44.084 0.50 36.91 ? 313 PHE A CA 1 +ATOM 2512 C C . PHE A 1 313 ? -22.325 2.259 45.541 0.50 37.50 ? 313 PHE A C 1 +ATOM 2513 O O . PHE A 1 313 ? -22.637 3.400 45.870 0.50 29.83 ? 313 PHE A O 1 +ATOM 2514 C CB . PHE A 1 313 ? -23.379 1.077 43.593 0.50 32.63 ? 313 PHE A CB 1 +ATOM 2515 C CG . PHE A 1 313 ? -23.582 1.178 42.125 0.50 20.61 ? 313 PHE A CG 1 +ATOM 2516 C CD1 . PHE A 1 313 ? -22.981 0.276 41.262 0.50 22.94 ? 313 PHE A CD1 1 +ATOM 2517 C CD2 . PHE A 1 313 ? -24.324 2.205 41.595 0.50 12.65 ? 313 PHE A CD2 1 +ATOM 2518 C CE1 . PHE A 1 313 ? -23.144 0.386 39.889 0.50 12.84 ? 313 PHE A CE1 1 +ATOM 2519 C CE2 . PHE A 1 313 ? -24.488 2.318 40.226 0.50 12.93 ? 313 PHE A CE2 1 +ATOM 2520 C CZ . PHE A 1 313 ? -23.898 1.404 39.377 0.50 6.98 ? 313 PHE A CZ 1 +ATOM 2521 N N . ARG A 1 314 ? -22.049 1.298 46.412 1.00 44.48 ? 314 ARG A N 1 +ATOM 2522 C CA . ARG A 1 314 ? -22.149 1.527 47.857 1.00 50.96 ? 314 ARG A CA 1 +ATOM 2523 C C . ARG A 1 314 ? -21.357 2.743 48.325 1.00 53.67 ? 314 ARG A C 1 +ATOM 2524 O O . ARG A 1 314 ? -21.946 3.658 48.898 1.00 57.81 ? 314 ARG A O 1 +ATOM 2525 C CB . ARG A 1 314 ? -21.751 0.286 48.662 1.00 51.40 ? 314 ARG A CB 1 +ATOM 2526 C CG . ARG A 1 314 ? -22.232 0.313 50.127 1.00 54.12 ? 314 ARG A CG 1 +ATOM 2527 C CD . ARG A 1 314 ? -21.557 -0.780 50.975 1.00 55.67 ? 314 ARG A CD 1 +ATOM 2528 N NE . ARG A 1 314 ? -21.347 -2.002 50.200 1.00 64.29 ? 314 ARG A NE 1 +ATOM 2529 C CZ . ARG A 1 314 ? -20.160 -2.534 49.932 1.00 66.51 ? 314 ARG A CZ 1 +ATOM 2530 N NH1 . ARG A 1 314 ? -20.071 -3.643 49.209 1.00 74.63 ? 314 ARG A NH1 1 +ATOM 2531 N NH2 . ARG A 1 314 ? -19.062 -1.964 50.393 1.00 69.43 ? 314 ARG A NH2 1 +ATOM 2532 N N . ASN A 1 315 ? -20.042 2.768 48.085 1.00 53.51 ? 315 ASN A N 1 +ATOM 2533 C CA . ASN A 1 315 ? -19.232 3.928 48.480 1.00 54.18 ? 315 ASN A CA 1 +ATOM 2534 C C . ASN A 1 315 ? -19.823 5.244 47.979 1.00 55.13 ? 315 ASN A C 1 +ATOM 2535 O O . ASN A 1 315 ? -20.035 6.180 48.756 1.00 55.64 ? 315 ASN A O 1 +ATOM 2536 C CB . ASN A 1 315 ? -17.788 3.800 48.001 1.00 55.65 ? 315 ASN A CB 1 +ATOM 2537 C CG . ASN A 1 315 ? -17.047 2.648 48.656 1.00 61.18 ? 315 ASN A CG 1 +ATOM 2538 O OD1 . ASN A 1 315 ? -17.458 2.124 49.691 1.00 61.96 ? 315 ASN A OD1 1 +ATOM 2539 N ND2 . ASN A 1 315 ? -15.941 2.244 48.043 1.00 69.34 ? 315 ASN A ND2 1 +ATOM 2540 N N . CYS A 1 316 ? -20.102 5.317 46.684 1.00 54.97 ? 316 CYS A N 1 +ATOM 2541 C CA . CYS A 1 316 ? -20.727 6.512 46.131 1.00 56.98 ? 316 CYS A CA 1 +ATOM 2542 C C . CYS A 1 316 ? -22.028 6.877 46.837 1.00 58.31 ? 316 CYS A C 1 +ATOM 2543 O O . CYS A 1 316 ? -22.280 8.045 47.118 1.00 59.28 ? 316 CYS A O 1 +ATOM 2544 C CB . CYS A 1 316 ? -20.980 6.334 44.644 1.00 57.60 ? 316 CYS A CB 1 +ATOM 2545 S SG . CYS A 1 316 ? -19.468 6.197 43.718 1.00 54.46 ? 316 CYS A SG 1 +ATOM 2546 N N . MET A 1 317 ? -22.861 5.878 47.108 1.00 60.39 ? 317 MET A N 1 +ATOM 2547 C CA . MET A 1 317 ? -24.104 6.111 47.832 1.00 61.51 ? 317 MET A CA 1 +ATOM 2548 C C . MET A 1 317 ? -23.857 6.652 49.236 1.00 62.08 ? 317 MET A C 1 +ATOM 2549 O O . MET A 1 317 ? -24.543 7.570 49.679 1.00 64.27 ? 317 MET A O 1 +ATOM 2550 C CB . MET A 1 317 ? -24.941 4.839 47.897 1.00 60.64 ? 317 MET A CB 1 +ATOM 2551 C CG . MET A 1 317 ? -25.794 4.624 46.668 1.00 63.37 ? 317 MET A CG 1 +ATOM 2552 S SD . MET A 1 317 ? -26.843 3.169 46.791 1.00 66.91 ? 317 MET A SD 1 +ATOM 2553 C CE . MET A 1 317 ? -27.905 3.442 45.376 1.00 67.46 ? 317 MET A CE 1 +ATOM 2554 N N . VAL A 1 318 ? -22.876 6.091 49.934 1.00 60.13 ? 318 VAL A N 1 +ATOM 2555 C CA . VAL A 1 318 ? -22.548 6.578 51.260 1.00 59.73 ? 318 VAL A CA 1 +ATOM 2556 C C . VAL A 1 318 ? -22.070 8.018 51.174 1.00 59.01 ? 318 VAL A C 1 +ATOM 2557 O O . VAL A 1 318 ? -22.536 8.882 51.912 1.00 62.14 ? 318 VAL A O 1 +ATOM 2558 C CB . VAL A 1 318 ? -21.498 5.699 51.961 1.00 60.79 ? 318 VAL A CB 1 +ATOM 2559 C CG1 . VAL A 1 318 ? -21.055 6.339 53.281 1.00 58.26 ? 318 VAL A CG1 1 +ATOM 2560 C CG2 . VAL A 1 318 ? -22.065 4.298 52.198 1.00 60.71 ? 318 VAL A CG2 1 +ATOM 2561 N N . THR A 1 319 ? -21.152 8.282 50.259 1.00 56.81 ? 319 THR A N 1 +ATOM 2562 C CA . THR A 1 319 ? -20.675 9.642 50.069 1.00 56.29 ? 319 THR A CA 1 +ATOM 2563 C C . THR A 1 319 ? -21.840 10.599 49.836 1.00 57.08 ? 319 THR A C 1 +ATOM 2564 O O . THR A 1 319 ? -21.917 11.645 50.461 1.00 58.52 ? 319 THR A O 1 +ATOM 2565 C CB . THR A 1 319 ? -19.693 9.735 48.889 1.00 56.28 ? 319 THR A CB 1 +ATOM 2566 O OG1 . THR A 1 319 ? -18.529 8.944 49.163 1.00 56.67 ? 319 THR A OG1 1 +ATOM 2567 C CG2 . THR A 1 319 ? -19.275 11.167 48.662 1.00 55.13 ? 319 THR A CG2 1 +ATOM 2568 N N . THR A 1 320 ? -22.750 10.237 48.939 1.00 59.44 ? 320 THR A N 1 +ATOM 2569 C CA . THR A 1 320 ? -23.843 11.133 48.580 1.00 59.44 ? 320 THR A CA 1 +ATOM 2570 C C . THR A 1 320 ? -24.849 11.280 49.705 1.00 59.93 ? 320 THR A C 1 +ATOM 2571 O O . THR A 1 320 ? -25.363 12.368 49.932 1.00 59.26 ? 320 THR A O 1 +ATOM 2572 C CB . THR A 1 320 ? -24.559 10.686 47.298 1.00 59.12 ? 320 THR A CB 1 +ATOM 2573 O OG1 . THR A 1 320 ? -23.613 10.648 46.221 1.00 60.42 ? 320 THR A OG1 1 +ATOM 2574 C CG2 . THR A 1 320 ? -25.678 11.664 46.947 1.00 51.68 ? 320 THR A CG2 1 +ATOM 2575 N N . LEU A 1 321 ? -25.116 10.187 50.412 1.00 62.34 ? 321 LEU A N 1 +ATOM 2576 C CA . LEU A 1 321 ? -26.051 10.214 51.535 1.00 65.47 ? 321 LEU A CA 1 +ATOM 2577 C C . LEU A 1 321 ? -25.488 11.015 52.698 1.00 67.30 ? 321 LEU A C 1 +ATOM 2578 O O . LEU A 1 321 ? -26.234 11.645 53.445 1.00 66.94 ? 321 LEU A O 1 +ATOM 2579 C CB . LEU A 1 321 ? -26.444 8.796 51.984 1.00 64.13 ? 321 LEU A CB 1 +ATOM 2580 C CG . LEU A 1 321 ? -27.437 8.079 51.049 1.00 64.74 ? 321 LEU A CG 1 +ATOM 2581 C CD1 . LEU A 1 321 ? -27.868 6.715 51.600 1.00 55.93 ? 321 LEU A CD1 1 +ATOM 2582 C CD2 . LEU A 1 321 ? -28.655 8.974 50.732 1.00 49.74 ? 321 LEU A CD2 1 +ATOM 2583 N N . CYS A 1 322 ? -24.166 11.004 52.835 1.00 70.49 ? 322 CYS A N 1 +ATOM 2584 C CA . CYS A 1 322 ? -23.516 11.778 53.879 1.00 73.55 ? 322 CYS A CA 1 +ATOM 2585 C C . CYS A 1 322 ? -22.998 13.090 53.337 1.00 78.00 ? 322 CYS A C 1 +ATOM 2586 O O . CYS A 1 322 ? -21.835 13.454 53.516 1.00 78.96 ? 322 CYS A O 1 +ATOM 2587 C CB . CYS A 1 322 ? -22.446 10.956 54.567 1.00 69.61 ? 322 CYS A CB 1 +ATOM 2588 S SG . CYS A 1 322 ? -23.224 9.523 55.314 1.00 74.98 ? 322 CYS A SG 1 +ATOM 2589 N N . CYS A 1 323 ? -23.900 13.788 52.652 1.00 84.36 ? 323 CYS A N 1 +ATOM 2590 C CA . CYS A 1 323 ? -23.712 15.182 52.296 1.00 89.50 ? 323 CYS A CA 1 +ATOM 2591 C C . CYS A 1 323 ? -22.524 15.384 51.372 1.00 92.86 ? 323 CYS A C 1 +ATOM 2592 O O . CYS A 1 323 ? -22.585 15.040 50.192 1.00 94.89 ? 323 CYS A O 1 +ATOM 2593 C CB . CYS A 1 323 ? -23.562 16.000 53.575 1.00 88.73 ? 323 CYS A CB 1 +ATOM 2594 S SG . CYS A 1 323 ? -25.003 15.824 54.617 1.00 86.89 ? 323 CYS A SG 1 +ATOM 2595 N N . GLY A 1 324 ? -21.447 15.940 51.915 1.00 95.34 ? 324 GLY A N 1 +ATOM 2596 C CA . GLY A 1 324 ? -20.255 16.190 51.131 1.00 99.22 ? 324 GLY A CA 1 +ATOM 2597 C C . GLY A 1 324 ? -19.543 14.900 50.773 1.00 101.40 ? 324 GLY A C 1 +ATOM 2598 O O . GLY A 1 324 ? -19.335 14.598 49.589 1.00 101.23 ? 324 GLY A O 1 +ATOM 2599 N N . LYS A 1 325 ? -19.179 14.132 51.798 1.00 101.29 ? 325 LYS A N 1 +ATOM 2600 C CA . LYS A 1 325 ? -18.316 12.978 51.608 1.00 103.10 ? 325 LYS A CA 1 +ATOM 2601 C C . LYS A 1 325 ? -18.227 12.148 52.873 1.00 101.83 ? 325 LYS A C 1 +ATOM 2602 O O . LYS A 1 325 ? -18.676 12.577 53.929 1.00 101.50 ? 325 LYS A O 1 +ATOM 2603 C CB . LYS A 1 325 ? -16.910 13.451 51.239 1.00 105.29 ? 325 LYS A CB 1 +ATOM 2604 C CG . LYS A 1 325 ? -16.258 14.293 52.339 1.00 113.08 ? 325 LYS A CG 1 +ATOM 2605 C CD . LYS A 1 325 ? -14.772 14.508 52.102 1.00 119.83 ? 325 LYS A CD 1 +ATOM 2606 C CE . LYS A 1 325 ? -14.207 15.468 53.132 1.00 121.52 ? 325 LYS A CE 1 +ATOM 2607 N NZ . LYS A 1 325 ? -12.795 15.809 52.833 1.00 125.74 ? 325 LYS A NZ 1 +ATOM 2608 N N . ASN A 1 326 ? -17.642 10.960 52.751 1.00 102.75 ? 326 ASN A N 1 +ATOM 2609 C CA . ASN A 1 326 ? -17.223 10.171 53.909 1.00 105.30 ? 326 ASN A CA 1 +ATOM 2610 C C . ASN A 1 326 ? -16.422 8.928 53.518 1.00 106.19 ? 326 ASN A C 1 +ATOM 2611 O O . ASN A 1 326 ? -15.760 8.315 54.356 1.00 106.62 ? 326 ASN A O 1 +ATOM 2612 C CB . ASN A 1 326 ? -18.414 9.792 54.803 1.00 105.38 ? 326 ASN A CB 1 +ATOM 2613 C CG . ASN A 1 326 ? -18.068 9.839 56.289 1.00 102.52 ? 326 ASN A CG 1 +ATOM 2614 O OD1 . ASN A 1 326 ? -18.039 8.810 56.965 1.00 103.78 ? 326 ASN A OD1 1 +ATOM 2615 N ND2 . ASN A 1 326 ? -17.788 11.036 56.797 1.00 90.46 ? 326 ASN A ND2 1 +ATOM 2616 N N . ILE B 2 1 ? -7.853 -12.749 36.768 1.00 59.28 ? 340 ILE B N 1 +ATOM 2617 C CA . ILE B 2 1 ? -9.298 -12.569 37.100 1.00 61.91 ? 340 ILE B CA 1 +ATOM 2618 C C . ILE B 2 1 ? -9.599 -11.280 37.869 1.00 64.79 ? 340 ILE B C 1 +ATOM 2619 O O . ILE B 2 1 ? -10.589 -10.600 37.573 1.00 67.11 ? 340 ILE B O 1 +ATOM 2620 C CB . ILE B 2 1 ? -9.873 -13.756 37.918 1.00 61.05 ? 340 ILE B CB 1 +ATOM 2621 C CG1 . ILE B 2 1 ? -8.798 -14.332 38.837 1.00 63.70 ? 340 ILE B CG1 1 +ATOM 2622 C CG2 . ILE B 2 1 ? -10.503 -14.821 37.002 1.00 48.45 ? 340 ILE B CG2 1 +ATOM 2623 C CD1 . ILE B 2 1 ? -9.304 -15.434 39.749 1.00 81.89 ? 340 ILE B CD1 1 +ATOM 2624 N N . LEU B 2 2 ? -8.749 -10.948 38.845 1.00 65.60 ? 341 LEU B N 1 +ATOM 2625 C CA . LEU B 2 2 ? -9.044 -9.878 39.813 1.00 63.55 ? 341 LEU B CA 1 +ATOM 2626 C C . LEU B 2 2 ? -9.558 -8.562 39.217 1.00 64.04 ? 341 LEU B C 1 +ATOM 2627 O O . LEU B 2 2 ? -10.582 -8.048 39.668 1.00 63.07 ? 341 LEU B O 1 +ATOM 2628 C CB . LEU B 2 2 ? -7.862 -9.636 40.759 1.00 61.75 ? 341 LEU B CB 1 +ATOM 2629 C CG . LEU B 2 2 ? -7.549 -10.771 41.741 1.00 61.40 ? 341 LEU B CG 1 +ATOM 2630 C CD1 . LEU B 2 2 ? -6.434 -10.379 42.717 1.00 57.29 ? 341 LEU B CD1 1 +ATOM 2631 C CD2 . LEU B 2 2 ? -8.800 -11.206 42.498 1.00 58.80 ? 341 LEU B CD2 1 +ATOM 2632 N N . GLU B 2 3 ? -8.866 -8.024 38.212 1.00 64.87 ? 342 GLU B N 1 +ATOM 2633 C CA . GLU B 2 3 ? -9.315 -6.777 37.572 1.00 66.03 ? 342 GLU B CA 1 +ATOM 2634 C C . GLU B 2 3 ? -10.709 -6.920 36.993 1.00 63.41 ? 342 GLU B C 1 +ATOM 2635 O O . GLU B 2 3 ? -11.564 -6.053 37.179 1.00 61.94 ? 342 GLU B O 1 +ATOM 2636 C CB . GLU B 2 3 ? -8.347 -6.314 36.478 1.00 67.89 ? 342 GLU B CB 1 +ATOM 2637 C CG . GLU B 2 3 ? -7.176 -5.486 36.992 1.00 78.70 ? 342 GLU B CG 1 +ATOM 2638 C CD . GLU B 2 3 ? -7.620 -4.285 37.820 1.00 90.35 ? 342 GLU B CD 1 +ATOM 2639 O OE1 . GLU B 2 3 ? -8.106 -3.299 37.223 1.00 93.63 ? 342 GLU B OE1 1 +ATOM 2640 O OE2 . GLU B 2 3 ? -7.477 -4.329 39.065 1.00 91.56 ? 342 GLU B OE2 1 +ATOM 2641 N N . ASN B 2 4 ? -10.929 -8.023 36.288 1.00 62.66 ? 343 ASN B N 1 +ATOM 2642 C CA . ASN B 2 4 ? -12.233 -8.300 35.704 1.00 61.72 ? 343 ASN B CA 1 +ATOM 2643 C C . ASN B 2 4 ? -13.325 -8.450 36.743 1.00 59.59 ? 343 ASN B C 1 +ATOM 2644 O O . ASN B 2 4 ? -14.411 -7.915 36.573 1.00 58.65 ? 343 ASN B O 1 +ATOM 2645 C CB . ASN B 2 4 ? -12.168 -9.520 34.791 1.00 62.52 ? 343 ASN B CB 1 +ATOM 2646 C CG . ASN B 2 4 ? -11.362 -9.251 33.534 1.00 61.73 ? 343 ASN B CG 1 +ATOM 2647 O OD1 . ASN B 2 4 ? -11.122 -8.089 33.172 1.00 57.61 ? 343 ASN B OD1 1 +ATOM 2648 N ND2 . ASN B 2 4 ? -10.940 -10.318 32.859 1.00 55.44 ? 343 ASN B ND2 1 +ATOM 2649 N N . LEU B 2 5 ? -13.028 -9.157 37.828 1.00 59.48 ? 344 LEU B N 1 +ATOM 2650 C CA . LEU B 2 5 ? -13.956 -9.258 38.943 1.00 58.73 ? 344 LEU B CA 1 +ATOM 2651 C C . LEU B 2 5 ? -14.298 -7.880 39.526 1.00 60.49 ? 344 LEU B C 1 +ATOM 2652 O O . LEU B 2 5 ? -15.423 -7.652 39.957 1.00 63.08 ? 344 LEU B O 1 +ATOM 2653 C CB . LEU B 2 5 ? -13.414 -10.213 40.006 1.00 58.93 ? 344 LEU B CB 1 +ATOM 2654 C CG . LEU B 2 5 ? -13.192 -11.638 39.469 1.00 62.50 ? 344 LEU B CG 1 +ATOM 2655 C CD1 . LEU B 2 5 ? -12.639 -12.601 40.531 1.00 57.68 ? 344 LEU B CD1 1 +ATOM 2656 C CD2 . LEU B 2 5 ? -14.474 -12.202 38.842 1.00 59.38 ? 344 LEU B CD2 1 +ATOM 2657 N N . LYS B 2 6 ? -13.347 -6.949 39.514 1.00 61.61 ? 345 LYS B N 1 +ATOM 2658 C CA . LYS B 2 6 ? -13.633 -5.586 39.962 1.00 62.61 ? 345 LYS B CA 1 +ATOM 2659 C C . LYS B 2 6 ? -14.509 -4.855 38.965 1.00 62.46 ? 345 LYS B C 1 +ATOM 2660 O O . LYS B 2 6 ? -15.441 -4.160 39.357 1.00 63.62 ? 345 LYS B O 1 +ATOM 2661 C CB . LYS B 2 6 ? -12.351 -4.793 40.227 1.00 62.01 ? 345 LYS B CB 1 +ATOM 2662 C CG . LYS B 2 6 ? -11.618 -5.233 41.489 1.00 75.24 ? 345 LYS B CG 1 +ATOM 2663 C CD . LYS B 2 6 ? -10.146 -4.827 41.480 1.00 90.90 ? 345 LYS B CD 1 +ATOM 2664 C CE . LYS B 2 6 ? -9.385 -5.450 42.649 1.00 94.51 ? 345 LYS B CE 1 +ATOM 2665 N NZ . LYS B 2 6 ? -7.913 -5.277 42.498 1.00 97.97 ? 345 LYS B NZ 1 +ATOM 2666 N N . ASP B 2 7 ? -14.209 -5.018 37.677 1.00 63.03 ? 346 ASP B N 1 +ATOM 2667 C CA . ASP B 2 7 ? -14.968 -4.362 36.604 1.00 62.56 ? 346 ASP B CA 1 +ATOM 2668 C C . ASP B 2 7 ? -16.454 -4.724 36.599 1.00 60.22 ? 346 ASP B C 1 +ATOM 2669 O O . ASP B 2 7 ? -17.306 -3.869 36.348 1.00 59.53 ? 346 ASP B O 1 +ATOM 2670 C CB . ASP B 2 7 ? -14.370 -4.702 35.238 1.00 65.19 ? 346 ASP B CB 1 +ATOM 2671 C CG . ASP B 2 7 ? -12.978 -4.144 35.055 1.00 72.06 ? 346 ASP B CG 1 +ATOM 2672 O OD1 . ASP B 2 7 ? -12.579 -3.272 35.858 1.00 72.28 ? 346 ASP B OD1 1 +ATOM 2673 O OD2 . ASP B 2 7 ? -12.291 -4.584 34.105 1.00 79.57 ? 346 ASP B OD2 1 +ATOM 2674 N N . VAL B 2 8 ? -16.757 -5.991 36.866 1.00 57.04 ? 347 VAL B N 1 +ATOM 2675 C CA . VAL B 2 8 ? -18.133 -6.459 36.856 1.00 55.00 ? 347 VAL B CA 1 +ATOM 2676 C C . VAL B 2 8 ? -18.780 -6.339 38.234 1.00 55.45 ? 347 VAL B C 1 +ATOM 2677 O O . VAL B 2 8 ? -19.909 -6.794 38.440 1.00 55.08 ? 347 VAL B O 1 +ATOM 2678 C CB . VAL B 2 8 ? -18.259 -7.916 36.340 1.00 56.43 ? 347 VAL B CB 1 +ATOM 2679 C CG1 . VAL B 2 8 ? -17.747 -8.031 34.904 1.00 48.26 ? 347 VAL B CG1 1 +ATOM 2680 C CG2 . VAL B 2 8 ? -17.567 -8.901 37.293 1.00 49.82 ? 347 VAL B CG2 1 +ATOM 2681 N N . GLY B 2 9 ? -18.066 -5.720 39.169 1.00 55.00 ? 348 GLY B N 1 +ATOM 2682 C CA . GLY B 2 9 ? -18.625 -5.404 40.478 1.00 54.75 ? 348 GLY B CA 1 +ATOM 2683 C C . GLY B 2 9 ? -18.822 -6.615 41.364 1.00 55.50 ? 348 GLY B C 1 +ATOM 2684 O O . GLY B 2 9 ? -19.659 -6.602 42.248 1.00 56.22 ? 348 GLY B O 1 +ATOM 2685 N N . LEU B 2 10 ? -18.039 -7.663 41.140 1.00 57.55 ? 349 LEU B N 1 +ATOM 2686 C CA . LEU B 2 10 ? -18.179 -8.890 41.909 1.00 57.38 ? 349 LEU B CA 1 +ATOM 2687 C C . LEU B 2 10 ? -17.120 -9.056 42.986 1.00 58.13 ? 349 LEU B C 1 +ATOM 2688 O O . LEU B 2 10 ? -17.225 -9.960 43.811 1.00 59.24 ? 349 LEU B O 1 +ATOM 2689 C CB . LEU B 2 10 ? -18.188 -10.112 40.991 1.00 56.86 ? 349 LEU B CB 1 +ATOM 2690 C CG . LEU B 2 10 ? -19.546 -10.509 40.401 1.00 61.01 ? 349 LEU B CG 1 +ATOM 2691 C CD1 . LEU B 2 10 ? -19.401 -11.739 39.515 1.00 56.96 ? 349 LEU B CD1 1 +ATOM 2692 C CD2 . LEU B 2 10 ? -20.591 -10.761 41.498 1.00 58.41 ? 349 LEU B CD2 1 +ATOM 2693 N N . PHE B 2 11 ? -16.114 -8.185 42.984 1.00 60.67 ? 350 PHE B N 1 +ATOM 2694 C CA . PHE B 2 11 ? -15.057 -8.224 44.004 1.00 66.14 ? 350 PHE B CA 1 +ATOM 2695 C C . PHE B 2 11 ? -14.319 -6.897 44.173 1.00 68.38 ? 350 PHE B C 1 +ATOM 2696 O O . PHE B 2 11 ? -14.108 -6.432 45.299 1.00 70.25 ? 350 PHE B O 1 +ATOM 2697 C CB . PHE B 2 11 ? -14.039 -9.332 43.708 1.00 67.99 ? 350 PHE B CB 1 +ATOM 2698 C CG . PHE B 2 11 ? -12.970 -9.471 44.767 1.00 70.49 ? 350 PHE B CG 1 +ATOM 2699 C CD1 . PHE B 2 11 ? -13.279 -9.985 46.029 1.00 69.94 ? 350 PHE B CD1 1 +ATOM 2700 C CD2 . PHE B 2 11 ? -11.660 -9.096 44.502 1.00 67.26 ? 350 PHE B CD2 1 +ATOM 2701 C CE1 . PHE B 2 11 ? -12.306 -10.120 47.003 1.00 58.70 ? 350 PHE B CE1 1 +ATOM 2702 C CE2 . PHE B 2 11 ? -10.685 -9.227 45.473 1.00 67.49 ? 350 PHE B CE2 1 +ATOM 2703 C CZ . PHE B 2 11 ? -11.012 -9.738 46.727 1.00 66.35 ? 350 PHE B CZ 1 +ATOM 2704 O OXT . PHE B 2 11 ? -13.902 -6.272 43.195 1.00 69.53 ? 350 PHE B OXT 1 +HETATM 2705 C C1 . NAG C 3 . ? -73.608 -12.234 40.184 1.00 41.47 ? 1 NAG C C1 1 +HETATM 2706 C C2 . NAG C 3 . ? -73.435 -11.444 38.896 1.00 41.12 ? 1 NAG C C2 1 +HETATM 2707 C C3 . NAG C 3 . ? -74.371 -10.235 38.889 1.00 41.83 ? 1 NAG C C3 1 +HETATM 2708 C C4 . NAG C 3 . ? -75.834 -10.620 39.155 1.00 44.91 ? 1 NAG C C4 1 +HETATM 2709 C C5 . NAG C 3 . ? -75.913 -11.544 40.370 1.00 50.78 ? 1 NAG C C5 1 +HETATM 2710 C C6 . NAG C 3 . ? -77.316 -12.132 40.421 1.00 52.73 ? 1 NAG C C6 1 +HETATM 2711 C C7 . NAG C 3 . ? -71.338 -10.936 37.683 1.00 52.24 ? 1 NAG C C7 1 +HETATM 2712 C C8 . NAG C 3 . ? -69.905 -10.402 37.849 1.00 45.27 ? 1 NAG C C8 1 +HETATM 2713 N N2 . NAG C 3 . ? -72.039 -10.989 38.819 1.00 46.12 ? 1 NAG C N2 1 +HETATM 2714 O O3 . NAG C 3 . ? -74.263 -9.516 37.652 1.00 42.83 ? 1 NAG C O3 1 +HETATM 2715 O O4 . NAG C 3 . ? -76.523 -9.429 39.525 1.00 44.99 ? 1 NAG C O4 1 +HETATM 2716 O O5 . NAG C 3 . ? -74.969 -12.629 40.330 1.00 47.37 ? 1 NAG C O5 1 +HETATM 2717 O O6 . NAG C 3 . ? -77.536 -12.917 39.240 1.00 63.79 ? 1 NAG C O6 1 +HETATM 2718 O O7 . NAG C 3 . ? -71.777 -11.247 36.572 1.00 49.19 ? 1 NAG C O7 1 +HETATM 2719 C C1 . NAG C 3 . ? -77.703 -9.107 38.795 1.00 36.44 ? 2 NAG C C1 1 +HETATM 2720 C C2 . NAG C 3 . ? -78.487 -8.134 39.676 1.00 35.78 ? 2 NAG C C2 1 +HETATM 2721 C C3 . NAG C 3 . ? -79.798 -7.796 38.991 1.00 38.68 ? 2 NAG C C3 1 +HETATM 2722 C C4 . NAG C 3 . ? -79.560 -7.255 37.564 1.00 42.08 ? 2 NAG C C4 1 +HETATM 2723 C C5 . NAG C 3 . ? -78.690 -8.258 36.785 1.00 35.32 ? 2 NAG C C5 1 +HETATM 2724 C C6 . NAG C 3 . ? -78.436 -7.731 35.362 1.00 44.82 ? 2 NAG C C6 1 +HETATM 2725 C C7 . NAG C 3 . ? -78.014 -8.483 42.102 1.00 51.61 ? 2 NAG C C7 1 +HETATM 2726 C C8 . NAG C 3 . ? -78.357 -9.308 43.344 1.00 30.46 ? 2 NAG C C8 1 +HETATM 2727 N N2 . NAG C 3 . ? -78.718 -8.768 40.994 1.00 49.56 ? 2 NAG C N2 1 +HETATM 2728 O O3 . NAG C 3 . ? -80.506 -6.862 39.796 1.00 45.52 ? 2 NAG C O3 1 +HETATM 2729 O O4 . NAG C 3 . ? -80.804 -7.114 36.872 1.00 57.66 ? 2 NAG C O4 1 +HETATM 2730 O O5 . NAG C 3 . ? -77.454 -8.524 37.488 1.00 38.69 ? 2 NAG C O5 1 +HETATM 2731 O O6 . NAG C 3 . ? -77.454 -8.519 34.674 1.00 47.28 ? 2 NAG C O6 1 +HETATM 2732 O O7 . NAG C 3 . ? -77.129 -7.631 42.163 1.00 66.86 ? 2 NAG C O7 1 +HETATM 2733 C C1 . BMA C 3 . ? -81.367 -5.799 36.866 1.00 81.16 ? 3 BMA C C1 1 +HETATM 2734 C C2 . BMA C 3 . ? -82.085 -5.563 35.538 1.00 91.75 ? 3 BMA C C2 1 +HETATM 2735 C C3 . BMA C 3 . ? -82.248 -4.060 35.339 1.00 101.43 ? 3 BMA C C3 1 +HETATM 2736 C C4 . BMA C 3 . ? -82.892 -3.384 36.574 1.00 99.48 ? 3 BMA C C4 1 +HETATM 2737 C C5 . BMA C 3 . ? -82.642 -4.113 37.930 1.00 97.37 ? 3 BMA C C5 1 +HETATM 2738 C C6 . BMA C 3 . ? -83.827 -3.828 38.887 1.00 98.96 ? 3 BMA C C6 1 +HETATM 2739 O O2 . BMA C 3 . ? -83.379 -6.173 35.573 1.00 87.97 ? 3 BMA C O2 1 +HETATM 2740 O O3 . BMA C 3 . ? -82.949 -3.711 34.112 1.00 111.94 ? 3 BMA C O3 1 +HETATM 2741 O O4 . BMA C 3 . ? -82.351 -2.061 36.667 1.00 96.14 ? 3 BMA C O4 1 +HETATM 2742 O O5 . BMA C 3 . ? -82.378 -5.551 37.874 1.00 88.78 ? 3 BMA C O5 1 +HETATM 2743 O O6 . BMA C 3 . ? -83.597 -2.604 39.608 1.00 97.94 ? 3 BMA C O6 1 +HETATM 2744 C C1 . MAN C 3 . ? -83.822 -4.748 33.588 1.00 120.84 ? 4 MAN C C1 1 +HETATM 2745 C C2 . MAN C 3 . ? -83.322 -5.237 32.230 1.00 122.25 ? 4 MAN C C2 1 +HETATM 2746 C C3 . MAN C 3 . ? -83.419 -4.104 31.204 1.00 123.13 ? 4 MAN C C3 1 +HETATM 2747 C C4 . MAN C 3 . ? -84.862 -3.596 31.088 1.00 126.39 ? 4 MAN C C4 1 +HETATM 2748 C C5 . MAN C 3 . ? -85.468 -3.286 32.475 1.00 126.93 ? 4 MAN C C5 1 +HETATM 2749 C C6 . MAN C 3 . ? -86.996 -3.061 32.359 1.00 126.28 ? 4 MAN C C6 1 +HETATM 2750 O O2 . MAN C 3 . ? -84.127 -6.350 31.815 1.00 120.89 ? 4 MAN C O2 1 +HETATM 2751 O O3 . MAN C 3 . ? -82.959 -4.548 29.926 1.00 121.71 ? 4 MAN C O3 1 +HETATM 2752 O O4 . MAN C 3 . ? -84.876 -2.419 30.269 1.00 128.65 ? 4 MAN C O4 1 +HETATM 2753 O O5 . MAN C 3 . ? -85.221 -4.350 33.453 1.00 126.15 ? 4 MAN C O5 1 +HETATM 2754 O O6 . MAN C 3 . ? -87.304 -1.661 32.432 1.00 121.47 ? 4 MAN C O6 1 +HETATM 2755 C C1 . GLC D 4 . ? -19.537 8.854 29.741 1.00 146.50 ? 1 GLC D C1 1 +HETATM 2756 C C2 . GLC D 4 . ? -19.241 9.079 28.235 1.00 146.16 ? 1 GLC D C2 1 +HETATM 2757 C C3 . GLC D 4 . ? -20.515 8.950 27.382 1.00 143.82 ? 1 GLC D C3 1 +HETATM 2758 C C4 . GLC D 4 . ? -21.135 7.559 27.544 1.00 143.14 ? 1 GLC D C4 1 +HETATM 2759 C C5 . GLC D 4 . ? -20.718 6.887 28.875 1.00 143.26 ? 1 GLC D C5 1 +HETATM 2760 C C6 . GLC D 4 . ? -19.417 6.030 28.722 1.00 138.90 ? 1 GLC D C6 1 +HETATM 2761 O O2 . GLC D 4 . ? -18.615 10.350 28.017 1.00 146.22 ? 1 GLC D O2 1 +HETATM 2762 O O3 . GLC D 4 . ? -20.217 9.167 26.000 1.00 141.23 ? 1 GLC D O3 1 +HETATM 2763 O O4 . GLC D 4 . ? -22.559 7.677 27.473 1.00 140.32 ? 1 GLC D O4 1 +HETATM 2764 O O5 . GLC D 4 . ? -20.604 7.879 29.946 1.00 145.23 ? 1 GLC D O5 1 +HETATM 2765 O O6 . GLC D 4 . ? -19.660 4.657 29.053 1.00 131.10 ? 1 GLC D O6 1 +HETATM 2766 C C1 . GLC D 4 . ? -18.931 10.472 31.435 1.00 144.40 ? 2 GLC D C1 1 +HETATM 2767 C C2 . GLC D 4 . ? -19.095 11.986 31.683 1.00 143.11 ? 2 GLC D C2 1 +HETATM 2768 C C3 . GLC D 4 . ? -17.766 12.717 31.477 1.00 140.80 ? 2 GLC D C3 1 +HETATM 2769 C C4 . GLC D 4 . ? -16.703 12.068 32.357 1.00 141.50 ? 2 GLC D C4 1 +HETATM 2770 C C5 . GLC D 4 . ? -16.480 10.605 31.927 1.00 144.12 ? 2 GLC D C5 1 +HETATM 2771 C C6 . GLC D 4 . ? -16.322 9.703 33.166 1.00 143.92 ? 2 GLC D C6 1 +HETATM 2772 O O1 . GLC D 4 . ? -19.905 10.072 30.434 1.00 144.55 ? 2 GLC D O1 1 +HETATM 2773 O O2 . GLC D 4 . ? -20.097 12.530 30.819 1.00 143.43 ? 2 GLC D O2 1 +HETATM 2774 O O3 . GLC D 4 . ? -17.898 14.097 31.815 1.00 138.29 ? 2 GLC D O3 1 +HETATM 2775 O O4 . GLC D 4 . ? -15.485 12.807 32.268 1.00 139.43 ? 2 GLC D O4 1 +HETATM 2776 O O5 . GLC D 4 . ? -17.555 10.103 31.055 1.00 145.94 ? 2 GLC D O5 1 +HETATM 2777 O O6 . GLC D 4 . ? -15.123 10.049 33.868 1.00 142.19 ? 2 GLC D O6 1 +HETATM 2778 C C1 . RET E 5 . ? -43.073 -16.462 33.951 1.00 80.74 ? 401 RET A C1 1 +HETATM 2779 C C2 . RET E 5 . ? -43.304 -18.013 34.059 1.00 76.14 ? 401 RET A C2 1 +HETATM 2780 C C3 . RET E 5 . ? -44.521 -18.500 33.462 1.00 74.48 ? 401 RET A C3 1 +HETATM 2781 C C4 . RET E 5 . ? -45.742 -17.753 33.836 1.00 80.23 ? 401 RET A C4 1 +HETATM 2782 C C5 . RET E 5 . ? -45.593 -16.265 33.697 1.00 83.70 ? 401 RET A C5 1 +HETATM 2783 C C6 . RET E 5 . ? -44.401 -15.674 33.850 1.00 83.94 ? 401 RET A C6 1 +HETATM 2784 C C7 . RET E 5 . ? -44.254 -14.200 33.942 1.00 80.57 ? 401 RET A C7 1 +HETATM 2785 C C8 . RET E 5 . ? -44.906 -13.384 34.761 1.00 75.14 ? 401 RET A C8 1 +HETATM 2786 C C9 . RET E 5 . ? -44.760 -11.929 34.871 1.00 72.83 ? 401 RET A C9 1 +HETATM 2787 C C10 . RET E 5 . ? -45.287 -11.337 35.963 1.00 68.27 ? 401 RET A C10 1 +HETATM 2788 C C11 . RET E 5 . ? -45.276 -9.952 36.341 1.00 68.18 ? 401 RET A C11 1 +HETATM 2789 C C12 . RET E 5 . ? -45.947 -9.448 37.401 1.00 74.87 ? 401 RET A C12 1 +HETATM 2790 C C13 . RET E 5 . ? -45.955 -8.076 37.866 1.00 78.46 ? 401 RET A C13 1 +HETATM 2791 C C14 . RET E 5 . ? -46.815 -7.720 38.854 1.00 81.05 ? 401 RET A C14 1 +HETATM 2792 C C15 . RET E 5 . ? -46.969 -6.414 39.472 1.00 76.45 ? 401 RET A C15 1 +HETATM 2793 C C16 . RET E 5 . ? -42.118 -16.005 32.896 1.00 74.97 ? 401 RET A C16 1 +HETATM 2794 C C17 . RET E 5 . ? -42.415 -16.250 35.302 1.00 84.84 ? 401 RET A C17 1 +HETATM 2795 C C18 . RET E 5 . ? -46.886 -15.543 33.370 1.00 78.74 ? 401 RET A C18 1 +HETATM 2796 C C19 . RET E 5 . ? -44.041 -11.212 33.759 1.00 61.89 ? 401 RET A C19 1 +HETATM 2797 C C20 . RET E 5 . ? -44.978 -7.104 37.265 1.00 82.68 ? 401 RET A C20 1 +HETATM 2798 C C1 . NAG F 6 . ? -64.129 -25.411 42.561 1.00 114.21 ? 501 NAG A C1 1 +HETATM 2799 C C2 . NAG F 6 . ? -63.525 -26.605 41.788 1.00 114.09 ? 501 NAG A C2 1 +HETATM 2800 C C3 . NAG F 6 . ? -63.417 -27.857 42.660 1.00 117.93 ? 501 NAG A C3 1 +HETATM 2801 C C4 . NAG F 6 . ? -63.049 -27.468 44.092 1.00 123.39 ? 501 NAG A C4 1 +HETATM 2802 C C5 . NAG F 6 . ? -64.203 -26.687 44.733 1.00 124.02 ? 501 NAG A C5 1 +HETATM 2803 C C6 . NAG F 6 . ? -63.792 -26.345 46.181 1.00 122.62 ? 501 NAG A C6 1 +HETATM 2804 C C7 . NAG F 6 . ? -64.075 -26.545 39.371 1.00 113.66 ? 501 NAG A C7 1 +HETATM 2805 C C8 . NAG F 6 . ? -65.144 -26.927 38.339 1.00 109.59 ? 501 NAG A C8 1 +HETATM 2806 N N2 . NAG F 6 . ? -64.382 -26.887 40.624 1.00 114.98 ? 501 NAG A N2 1 +HETATM 2807 O O3 . NAG F 6 . ? -62.425 -28.734 42.127 1.00 118.96 ? 501 NAG A O3 1 +HETATM 2808 O O4 . NAG F 6 . ? -62.756 -28.634 44.871 1.00 126.36 ? 501 NAG A O4 1 +HETATM 2809 O O5 . NAG F 6 . ? -64.556 -25.482 43.973 1.00 119.78 ? 501 NAG A O5 1 +HETATM 2810 O O6 . NAG F 6 . ? -64.945 -26.299 47.025 1.00 121.50 ? 501 NAG A O6 1 +HETATM 2811 O O7 . NAG F 6 . ? -63.033 -25.976 39.033 1.00 109.48 ? 501 NAG A O7 1 +HETATM 2812 C C1 . BOG G 7 . ? -63.513 5.447 48.737 1.00 95.10 ? 601 BOG A C1 1 +HETATM 2813 O O1 . BOG G 7 . ? -62.486 6.162 48.017 1.00 81.85 ? 601 BOG A O1 1 +HETATM 2814 C C2 . BOG G 7 . ? -64.596 6.462 49.187 1.00 100.07 ? 601 BOG A C2 1 +HETATM 2815 O O2 . BOG G 7 . ? -64.505 6.705 50.607 1.00 103.73 ? 601 BOG A O2 1 +HETATM 2816 C C3 . BOG G 7 . ? -66.056 6.104 48.805 1.00 98.09 ? 601 BOG A C3 1 +HETATM 2817 O O3 . BOG G 7 . ? -66.477 7.013 47.791 1.00 99.99 ? 601 BOG A O3 1 +HETATM 2818 C C4 . BOG G 7 . ? -66.308 4.665 48.304 1.00 99.60 ? 601 BOG A C4 1 +HETATM 2819 O O4 . BOG G 7 . ? -67.452 4.125 48.975 1.00 94.94 ? 601 BOG A O4 1 +HETATM 2820 C C5 . BOG G 7 . ? -65.093 3.737 48.483 1.00 102.50 ? 601 BOG A C5 1 +HETATM 2821 O O5 . BOG G 7 . ? -64.002 4.418 47.856 1.00 100.89 ? 601 BOG A O5 1 +HETATM 2822 C C6 . BOG G 7 . ? -65.239 2.325 47.845 1.00 99.68 ? 601 BOG A C6 1 +HETATM 2823 O O6 . BOG G 7 . ? -64.719 1.313 48.729 1.00 86.44 ? 601 BOG A O6 1 +HETATM 2824 C "C1'" . BOG G 7 . ? -61.178 5.699 48.336 1.00 68.45 ? 601 BOG A "C1'" 1 +HETATM 2825 C "C2'" . BOG G 7 . ? -60.259 6.916 48.217 1.00 65.49 ? 601 BOG A "C2'" 1 +HETATM 2826 C "C3'" . BOG G 7 . ? -58.780 6.521 48.180 1.00 65.52 ? 601 BOG A "C3'" 1 +HETATM 2827 C "C4'" . BOG G 7 . ? -57.894 7.747 48.373 1.00 66.74 ? 601 BOG A "C4'" 1 +HETATM 2828 C "C5'" . BOG G 7 . ? -56.520 7.525 47.734 1.00 71.23 ? 601 BOG A "C5'" 1 +HETATM 2829 C "C6'" . BOG G 7 . ? -55.413 7.626 48.794 1.00 68.97 ? 601 BOG A "C6'" 1 +HETATM 2830 C "C7'" . BOG G 7 . ? -54.121 8.232 48.234 1.00 63.10 ? 601 BOG A "C7'" 1 +HETATM 2831 C "C8'" . BOG G 7 . ? -52.887 7.522 48.799 1.00 63.51 ? 601 BOG A "C8'" 1 +HETATM 2832 C C1 . BOG H 7 . ? -56.308 -15.557 56.767 1.00 120.98 ? 602 BOG A C1 1 +HETATM 2833 O O1 . BOG H 7 . ? -55.085 -14.769 56.829 1.00 114.40 ? 602 BOG A O1 1 +HETATM 2834 C C2 . BOG H 7 . ? -57.258 -14.965 57.821 1.00 121.10 ? 602 BOG A C2 1 +HETATM 2835 O O2 . BOG H 7 . ? -56.701 -15.132 59.130 1.00 116.27 ? 602 BOG A O2 1 +HETATM 2836 C C3 . BOG H 7 . ? -58.641 -15.622 57.741 1.00 123.67 ? 602 BOG A C3 1 +HETATM 2837 O O3 . BOG H 7 . ? -59.515 -15.046 58.719 1.00 119.14 ? 602 BOG A O3 1 +HETATM 2838 C C4 . BOG H 7 . ? -59.233 -15.438 56.335 1.00 126.30 ? 602 BOG A C4 1 +HETATM 2839 O O4 . BOG H 7 . ? -60.491 -16.120 56.248 1.00 127.75 ? 602 BOG A O4 1 +HETATM 2840 C C5 . BOG H 7 . ? -58.273 -15.951 55.239 1.00 124.89 ? 602 BOG A C5 1 +HETATM 2841 O O5 . BOG H 7 . ? -56.870 -15.570 55.408 1.00 124.78 ? 602 BOG A O5 1 +HETATM 2842 C C6 . BOG H 7 . ? -58.716 -15.376 53.880 1.00 122.00 ? 602 BOG A C6 1 +HETATM 2843 O O6 . BOG H 7 . ? -59.732 -16.200 53.302 1.00 120.31 ? 602 BOG A O6 1 +HETATM 2844 C "C1'" . BOG H 7 . ? -54.292 -14.867 55.624 1.00 106.13 ? 602 BOG A "C1'" 1 +HETATM 2845 C "C2'" . BOG H 7 . ? -54.346 -13.567 54.811 1.00 97.49 ? 602 BOG A "C2'" 1 +HETATM 2846 C "C3'" . BOG H 7 . ? -53.966 -12.351 55.662 1.00 93.90 ? 602 BOG A "C3'" 1 +HETATM 2847 C "C4'" . BOG H 7 . ? -52.845 -11.531 55.012 1.00 88.25 ? 602 BOG A "C4'" 1 +HETATM 2848 C "C5'" . BOG H 7 . ? -53.415 -10.393 54.164 1.00 81.86 ? 602 BOG A "C5'" 1 +HETATM 2849 C "C6'" . BOG H 7 . ? -53.330 -10.722 52.669 1.00 73.99 ? 602 BOG A "C6'" 1 +HETATM 2850 C "C7'" . BOG H 7 . ? -53.555 -9.469 51.820 1.00 68.11 ? 602 BOG A "C7'" 1 +HETATM 2851 C "C8'" . BOG H 7 . ? -52.226 -8.815 51.420 1.00 68.81 ? 602 BOG A "C8'" 1 +HETATM 2852 C C1 . PLM I 8 . ? -25.148 14.419 55.786 1.00 85.85 ? 701 PLM A C1 1 +HETATM 2853 O O2 . PLM I 8 . ? -24.126 13.985 56.372 1.00 91.27 ? 701 PLM A O2 1 +HETATM 2854 C C2 . PLM I 8 . ? -26.456 14.474 56.597 1.00 77.77 ? 701 PLM A C2 1 +HETATM 2855 C C3 . PLM I 8 . ? -27.298 13.201 56.448 1.00 78.12 ? 701 PLM A C3 1 +HETATM 2856 C C4 . PLM I 8 . ? -27.431 12.446 57.782 1.00 76.18 ? 701 PLM A C4 1 +HETATM 2857 C C5 . PLM I 8 . ? -28.856 11.925 57.977 1.00 70.53 ? 701 PLM A C5 1 +HETATM 2858 C C6 . PLM I 8 . ? -28.946 10.948 59.153 1.00 72.39 ? 701 PLM A C6 1 +HETATM 2859 C C7 . PLM I 8 . ? -30.410 10.722 59.569 1.00 64.56 ? 701 PLM A C7 1 +HETATM 2860 C C8 . PLM I 8 . ? -30.876 9.301 59.228 1.00 65.71 ? 701 PLM A C8 1 +HETATM 2861 C C9 . PLM I 8 . ? -32.346 9.313 58.796 1.00 67.40 ? 701 PLM A C9 1 +HETATM 2862 C CA . PLM I 8 . ? -32.862 7.908 58.467 1.00 67.57 ? 701 PLM A CA 1 +HETATM 2863 C CB . PLM I 8 . ? -34.290 7.993 57.933 1.00 67.59 ? 701 PLM A CB 1 +HETATM 2864 C CC . PLM I 8 . ? -35.184 6.910 58.532 1.00 69.80 ? 701 PLM A CC 1 +HETATM 2865 C CD . PLM I 8 . ? -36.651 7.353 58.499 1.00 68.69 ? 701 PLM A CD 1 +HETATM 2866 C CE . PLM I 8 . ? -37.513 6.360 57.715 1.00 67.30 ? 701 PLM A CE 1 +HETATM 2867 C CF . PLM I 8 . ? -38.967 6.838 57.635 1.00 69.64 ? 701 PLM A CF 1 +HETATM 2868 C CG . PLM I 8 . ? -39.953 5.723 58.006 1.00 60.97 ? 701 PLM A CG 1 +HETATM 2869 S S . SO4 J 9 . ? -57.725 -17.492 49.243 1.00 99.05 ? 801 SO4 A S 1 +HETATM 2870 O O1 . SO4 J 9 . ? -58.681 -18.587 49.089 1.00 103.53 ? 801 SO4 A O1 1 +HETATM 2871 O O2 . SO4 J 9 . ? -56.672 -17.622 48.238 1.00 101.92 ? 801 SO4 A O2 1 +HETATM 2872 O O3 . SO4 J 9 . ? -58.399 -16.210 49.056 1.00 103.29 ? 801 SO4 A O3 1 +HETATM 2873 O O4 . SO4 J 9 . ? -57.152 -17.537 50.587 1.00 101.86 ? 801 SO4 A O4 1 +HETATM 2874 C C . ACT K 10 . ? -37.392 5.305 53.976 1.00 76.35 ? 901 ACT A C 1 +HETATM 2875 O O . ACT K 10 . ? -37.369 6.504 53.597 1.00 75.76 ? 901 ACT A O 1 +HETATM 2876 O OXT . ACT K 10 . ? -36.319 4.660 53.874 1.00 76.11 ? 901 ACT A OXT 1 +HETATM 2877 C CH3 . ACT K 10 . ? -38.637 4.670 54.520 1.00 73.63 ? 901 ACT A CH3 1 +HETATM 2878 C C . ACT L 10 . ? -1.941 -11.342 47.044 1.00 81.36 ? 902 ACT A C 1 +HETATM 2879 O O . ACT L 10 . ? -2.749 -12.013 47.732 1.00 80.65 ? 902 ACT A O 1 +HETATM 2880 O OXT . ACT L 10 . ? -1.151 -10.636 47.707 1.00 83.46 ? 902 ACT A OXT 1 +HETATM 2881 C CH3 . ACT L 10 . ? -1.906 -11.373 45.536 1.00 77.03 ? 902 ACT A CH3 1 +HETATM 2882 O O . HOH M 11 . ? -33.682 -11.827 41.708 1.00 39.88 ? 349 HOH A O 1 +HETATM 2883 O O . HOH M 11 . ? -36.350 -6.603 40.125 1.00 47.12 ? 350 HOH A O 1 +HETATM 2884 O O . HOH M 11 . ? -25.390 -3.966 28.979 1.00 51.11 ? 351 HOH A O 1 +HETATM 2885 O O . HOH M 11 . ? 0.667 -19.075 40.531 1.00 42.92 ? 352 HOH A O 1 +HETATM 2886 O O . HOH M 11 . ? -54.684 -7.181 42.728 1.00 54.35 ? 353 HOH A O 1 +HETATM 2887 O O . HOH M 11 . ? -17.823 -21.382 28.726 1.00 59.27 ? 354 HOH A O 1 +HETATM 2888 O O . HOH M 11 . ? -50.645 -8.132 40.589 1.00 61.00 ? 355 HOH A O 1 +HETATM 2889 O O . HOH M 11 . ? -31.011 -12.755 40.899 1.00 42.30 ? 356 HOH A O 1 +HETATM 2890 O O . HOH M 11 . ? -69.828 -11.271 34.828 1.00 42.86 ? 357 HOH A O 1 +HETATM 2891 O O . HOH M 11 . ? -60.476 -0.856 50.371 1.00 31.57 ? 358 HOH A O 1 +HETATM 2892 O O . HOH M 11 . ? -60.454 -1.771 53.180 1.00 51.59 ? 359 HOH A O 1 +HETATM 2893 O O . HOH M 11 . ? -70.026 -18.591 40.022 1.00 43.02 ? 360 HOH A O 1 +HETATM 2894 O O . HOH M 11 . ? -71.553 -16.778 46.048 1.00 48.12 ? 361 HOH A O 1 +HETATM 2895 O O . HOH M 11 . ? -72.698 -14.816 37.802 1.00 61.69 ? 362 HOH A O 1 +HETATM 2896 O O . HOH M 11 . ? -9.401 -19.790 35.434 1.00 66.91 ? 363 HOH A O 1 +HETATM 2897 O O . HOH M 11 . ? -62.046 -5.494 57.660 1.00 51.86 ? 364 HOH A O 1 +HETATM 2898 O O . HOH M 11 . ? -24.877 15.268 47.615 1.00 69.36 ? 365 HOH A O 1 +HETATM 2899 O O . HOH M 11 . ? -52.917 -1.626 39.733 1.00 62.31 ? 366 HOH A O 1 +HETATM 2900 O O . HOH M 11 . ? -18.958 12.650 43.585 1.00 62.30 ? 367 HOH A O 1 +HETATM 2901 O O . HOH N 11 . ? -7.074 -13.932 33.542 1.00 64.94 ? 4 HOH B O 1 +HETATM 2902 O O . HOH N 11 . ? -5.761 -15.193 36.095 1.00 54.61 ? 5 HOH B O 1 +HETATM 2903 O O . HOH N 11 . ? -5.438 -8.792 37.324 1.00 50.18 ? 21 HOH B O 1 +HETATM 2904 O O . HOH N 11 . ? -7.911 -9.873 36.016 1.00 68.04 ? 23 HOH B O 1 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 MET 1 1 1 MET MET A . n +A 1 2 ASN 2 2 2 ASN ASN A . n +A 1 3 GLY 3 3 3 GLY GLY A . n +A 1 4 THR 4 4 4 THR THR A . n +A 1 5 GLU 5 5 5 GLU GLU A . n +A 1 6 GLY 6 6 6 GLY GLY A . n +A 1 7 PRO 7 7 7 PRO PRO A . n +A 1 8 ASN 8 8 8 ASN ASN A . n +A 1 9 PHE 9 9 9 PHE PHE A . n +A 1 10 TYR 10 10 10 TYR TYR A . n +A 1 11 VAL 11 11 11 VAL VAL A . n +A 1 12 PRO 12 12 12 PRO PRO A . n +A 1 13 PHE 13 13 13 PHE PHE A . n +A 1 14 SER 14 14 14 SER SER A . n +A 1 15 ASN 15 15 15 ASN ASN A . n +A 1 16 LYS 16 16 16 LYS LYS A . n +A 1 17 THR 17 17 17 THR THR A . n +A 1 18 GLY 18 18 18 GLY GLY A . n +A 1 19 VAL 19 19 19 VAL VAL A . n +A 1 20 VAL 20 20 20 VAL VAL A . n +A 1 21 ARG 21 21 21 ARG ARG A . n +A 1 22 SER 22 22 22 SER SER A . n +A 1 23 PRO 23 23 23 PRO PRO A . n +A 1 24 PHE 24 24 24 PHE PHE A . n +A 1 25 GLU 25 25 25 GLU GLU A . n +A 1 26 ALA 26 26 26 ALA ALA A . n +A 1 27 PRO 27 27 27 PRO PRO A . n +A 1 28 GLN 28 28 28 GLN GLN A . n +A 1 29 TYR 29 29 29 TYR TYR A . n +A 1 30 TYR 30 30 30 TYR TYR A . n +A 1 31 LEU 31 31 31 LEU LEU A . n +A 1 32 ALA 32 32 32 ALA ALA A . n +A 1 33 GLU 33 33 33 GLU GLU A . n +A 1 34 PRO 34 34 34 PRO PRO A . n +A 1 35 TRP 35 35 35 TRP TRP A . n +A 1 36 GLN 36 36 36 GLN GLN A . n +A 1 37 PHE 37 37 37 PHE PHE A . n +A 1 38 SER 38 38 38 SER SER A . n +A 1 39 MET 39 39 39 MET MET A . n +A 1 40 LEU 40 40 40 LEU LEU A . n +A 1 41 ALA 41 41 41 ALA ALA A . n +A 1 42 ALA 42 42 42 ALA ALA A . n +A 1 43 TYR 43 43 43 TYR TYR A . n +A 1 44 MET 44 44 44 MET MET A . n +A 1 45 PHE 45 45 45 PHE PHE A . n +A 1 46 LEU 46 46 46 LEU LEU A . n +A 1 47 LEU 47 47 47 LEU LEU A . n +A 1 48 ILE 48 48 48 ILE ILE A . n +A 1 49 MET 49 49 49 MET MET A . n +A 1 50 LEU 50 50 50 LEU LEU A . n +A 1 51 GLY 51 51 51 GLY GLY A . n +A 1 52 PHE 52 52 52 PHE PHE A . n +A 1 53 PRO 53 53 53 PRO PRO A . n +A 1 54 ILE 54 54 54 ILE ILE A . n +A 1 55 ASN 55 55 55 ASN ASN A . n +A 1 56 PHE 56 56 56 PHE PHE A . n +A 1 57 LEU 57 57 57 LEU LEU A . n +A 1 58 THR 58 58 58 THR THR A . n +A 1 59 LEU 59 59 59 LEU LEU A . n +A 1 60 TYR 60 60 60 TYR TYR A . n +A 1 61 VAL 61 61 61 VAL VAL A . n +A 1 62 THR 62 62 62 THR THR A . n +A 1 63 VAL 63 63 63 VAL VAL A . n +A 1 64 GLN 64 64 64 GLN GLN A . n +A 1 65 HIS 65 65 65 HIS HIS A . n +A 1 66 LYS 66 66 66 LYS LYS A . n +A 1 67 LYS 67 67 67 LYS LYS A . n +A 1 68 LEU 68 68 68 LEU LEU A . n +A 1 69 ARG 69 69 69 ARG ARG A . n +A 1 70 THR 70 70 70 THR THR A . n +A 1 71 PRO 71 71 71 PRO PRO A . n +A 1 72 LEU 72 72 72 LEU LEU A . n +A 1 73 ASN 73 73 73 ASN ASN A . n +A 1 74 TYR 74 74 74 TYR TYR A . n +A 1 75 ILE 75 75 75 ILE ILE A . n +A 1 76 LEU 76 76 76 LEU LEU A . n +A 1 77 LEU 77 77 77 LEU LEU A . n +A 1 78 ASN 78 78 78 ASN ASN A . n +A 1 79 LEU 79 79 79 LEU LEU A . n +A 1 80 ALA 80 80 80 ALA ALA A . n +A 1 81 VAL 81 81 81 VAL VAL A . n +A 1 82 ALA 82 82 82 ALA ALA A . n +A 1 83 ASP 83 83 83 ASP ASP A . n +A 1 84 LEU 84 84 84 LEU LEU A . n +A 1 85 PHE 85 85 85 PHE PHE A . n +A 1 86 MET 86 86 86 MET MET A . n +A 1 87 VAL 87 87 87 VAL VAL A . n +A 1 88 PHE 88 88 88 PHE PHE A . n +A 1 89 GLY 89 89 89 GLY GLY A . n +A 1 90 GLY 90 90 90 GLY GLY A . n +A 1 91 PHE 91 91 91 PHE PHE A . n +A 1 92 THR 92 92 92 THR THR A . n +A 1 93 THR 93 93 93 THR THR A . n +A 1 94 THR 94 94 94 THR THR A . n +A 1 95 LEU 95 95 95 LEU LEU A . n +A 1 96 TYR 96 96 96 TYR TYR A . n +A 1 97 THR 97 97 97 THR THR A . n +A 1 98 SER 98 98 98 SER SER A . n +A 1 99 LEU 99 99 99 LEU LEU A . n +A 1 100 HIS 100 100 100 HIS HIS A . n +A 1 101 GLY 101 101 101 GLY GLY A . n +A 1 102 TYR 102 102 102 TYR TYR A . n +A 1 103 PHE 103 103 103 PHE PHE A . n +A 1 104 VAL 104 104 104 VAL VAL A . n +A 1 105 PHE 105 105 105 PHE PHE A . n +A 1 106 GLY 106 106 106 GLY GLY A . n +A 1 107 PRO 107 107 107 PRO PRO A . n +A 1 108 THR 108 108 108 THR THR A . n +A 1 109 GLY 109 109 109 GLY GLY A . n +A 1 110 CYS 110 110 110 CYS CYS A . n +A 1 111 ASN 111 111 111 ASN ASN A . n +A 1 112 LEU 112 112 112 LEU LEU A . n +A 1 113 GLU 113 113 113 GLU GLU A . n +A 1 114 GLY 114 114 114 GLY GLY A . n +A 1 115 PHE 115 115 115 PHE PHE A . n +A 1 116 PHE 116 116 116 PHE PHE A . n +A 1 117 ALA 117 117 117 ALA ALA A . n +A 1 118 THR 118 118 118 THR THR A . n +A 1 119 LEU 119 119 119 LEU LEU A . n +A 1 120 GLY 120 120 120 GLY GLY A . n +A 1 121 GLY 121 121 121 GLY GLY A . n +A 1 122 GLU 122 122 122 GLU GLU A . n +A 1 123 ILE 123 123 123 ILE ILE A . n +A 1 124 ALA 124 124 124 ALA ALA A . n +A 1 125 LEU 125 125 125 LEU LEU A . n +A 1 126 TRP 126 126 126 TRP TRP A . n +A 1 127 SER 127 127 127 SER SER A . n +A 1 128 LEU 128 128 128 LEU LEU A . n +A 1 129 VAL 129 129 129 VAL VAL A . n +A 1 130 VAL 130 130 130 VAL VAL A . n +A 1 131 LEU 131 131 131 LEU LEU A . n +A 1 132 ALA 132 132 132 ALA ALA A . n +A 1 133 ILE 133 133 133 ILE ILE A . n +A 1 134 GLU 134 134 134 GLU GLU A . n +A 1 135 ARG 135 135 135 ARG ARG A . n +A 1 136 TYR 136 136 136 TYR TYR A . n +A 1 137 VAL 137 137 137 VAL VAL A . n +A 1 138 VAL 138 138 138 VAL VAL A . n +A 1 139 VAL 139 139 139 VAL VAL A . n +A 1 140 CYS 140 140 140 CYS CYS A . n +A 1 141 LYS 141 141 141 LYS LYS A . n +A 1 142 PRO 142 142 142 PRO PRO A . n +A 1 143 MET 143 143 143 MET MET A . n +A 1 144 SER 144 144 144 SER SER A . n +A 1 145 ASN 145 145 145 ASN ASN A . n +A 1 146 PHE 146 146 146 PHE PHE A . n +A 1 147 ARG 147 147 147 ARG ARG A . n +A 1 148 PHE 148 148 148 PHE PHE A . n +A 1 149 GLY 149 149 149 GLY GLY A . n +A 1 150 GLU 150 150 150 GLU GLU A . n +A 1 151 ASN 151 151 151 ASN ASN A . n +A 1 152 HIS 152 152 152 HIS HIS A . n +A 1 153 ALA 153 153 153 ALA ALA A . n +A 1 154 ILE 154 154 154 ILE ILE A . n +A 1 155 MET 155 155 155 MET MET A . n +A 1 156 GLY 156 156 156 GLY GLY A . n +A 1 157 VAL 157 157 157 VAL VAL A . n +A 1 158 ALA 158 158 158 ALA ALA A . n +A 1 159 PHE 159 159 159 PHE PHE A . n +A 1 160 THR 160 160 160 THR THR A . n +A 1 161 TRP 161 161 161 TRP TRP A . n +A 1 162 VAL 162 162 162 VAL VAL A . n +A 1 163 MET 163 163 163 MET MET A . n +A 1 164 ALA 164 164 164 ALA ALA A . n +A 1 165 LEU 165 165 165 LEU LEU A . n +A 1 166 ALA 166 166 166 ALA ALA A . n +A 1 167 CYS 167 167 167 CYS CYS A . n +A 1 168 ALA 168 168 168 ALA ALA A . n +A 1 169 ALA 169 169 169 ALA ALA A . n +A 1 170 PRO 170 170 170 PRO PRO A . n +A 1 171 PRO 171 171 171 PRO PRO A . n +A 1 172 LEU 172 172 172 LEU LEU A . n +A 1 173 VAL 173 173 173 VAL VAL A . n +A 1 174 GLY 174 174 174 GLY GLY A . n +A 1 175 TRP 175 175 175 TRP TRP A . n +A 1 176 SER 176 176 176 SER SER A . n +A 1 177 ARG 177 177 177 ARG ARG A . n +A 1 178 TYR 178 178 178 TYR TYR A . n +A 1 179 ILE 179 179 179 ILE ILE A . n +A 1 180 PRO 180 180 180 PRO PRO A . n +A 1 181 GLU 181 181 181 GLU GLU A . n +A 1 182 GLY 182 182 182 GLY GLY A . n +A 1 183 MET 183 183 183 MET MET A . n +A 1 184 GLN 184 184 184 GLN GLN A . n +A 1 185 CYS 185 185 185 CYS CYS A . n +A 1 186 SER 186 186 186 SER SER A . n +A 1 187 CYS 187 187 187 CYS CYS A . n +A 1 188 GLY 188 188 188 GLY GLY A . n +A 1 189 ILE 189 189 189 ILE ILE A . n +A 1 190 ASP 190 190 190 ASP ASP A . n +A 1 191 TYR 191 191 191 TYR TYR A . n +A 1 192 TYR 192 192 192 TYR TYR A . n +A 1 193 THR 193 193 193 THR THR A . n +A 1 194 PRO 194 194 194 PRO PRO A . n +A 1 195 HIS 195 195 195 HIS HIS A . n +A 1 196 GLU 196 196 196 GLU GLU A . n +A 1 197 GLU 197 197 197 GLU GLU A . n +A 1 198 THR 198 198 198 THR THR A . n +A 1 199 ASN 199 199 199 ASN ASN A . n +A 1 200 ASN 200 200 200 ASN ASN A . n +A 1 201 GLU 201 201 201 GLU GLU A . n +A 1 202 SER 202 202 202 SER SER A . n +A 1 203 PHE 203 203 203 PHE PHE A . n +A 1 204 VAL 204 204 204 VAL VAL A . n +A 1 205 ILE 205 205 205 ILE ILE A . n +A 1 206 TYR 206 206 206 TYR TYR A . n +A 1 207 MET 207 207 207 MET MET A . n +A 1 208 PHE 208 208 208 PHE PHE A . n +A 1 209 VAL 209 209 209 VAL VAL A . n +A 1 210 VAL 210 210 210 VAL VAL A . n +A 1 211 HIS 211 211 211 HIS HIS A . n +A 1 212 PHE 212 212 212 PHE PHE A . n +A 1 213 ILE 213 213 213 ILE ILE A . n +A 1 214 ILE 214 214 214 ILE ILE A . n +A 1 215 PRO 215 215 215 PRO PRO A . n +A 1 216 LEU 216 216 216 LEU LEU A . n +A 1 217 ILE 217 217 217 ILE ILE A . n +A 1 218 VAL 218 218 218 VAL VAL A . n +A 1 219 ILE 219 219 219 ILE ILE A . n +A 1 220 PHE 220 220 220 PHE PHE A . n +A 1 221 PHE 221 221 221 PHE PHE A . n +A 1 222 CYS 222 222 222 CYS CYS A . n +A 1 223 TYR 223 223 223 TYR TYR A . n +A 1 224 GLY 224 224 224 GLY GLY A . n +A 1 225 GLN 225 225 225 GLN GLN A . n +A 1 226 LEU 226 226 226 LEU LEU A . n +A 1 227 VAL 227 227 227 VAL VAL A . n +A 1 228 PHE 228 228 228 PHE PHE A . n +A 1 229 THR 229 229 229 THR THR A . n +A 1 230 VAL 230 230 230 VAL VAL A . n +A 1 231 LYS 231 231 231 LYS LYS A . n +A 1 232 GLU 232 232 232 GLU GLU A . n +A 1 233 ALA 233 233 233 ALA ALA A . n +A 1 234 ALA 234 234 234 ALA ALA A . n +A 1 235 ALA 235 235 235 ALA ALA A . n +A 1 236 GLN 236 236 236 GLN GLN A . n +A 1 237 GLN 237 237 237 GLN GLN A . n +A 1 238 GLN 238 238 238 GLN GLN A . n +A 1 239 GLU 239 239 239 GLU GLU A . n +A 1 240 SER 240 240 240 SER SER A . n +A 1 241 ALA 241 241 241 ALA ALA A . n +A 1 242 THR 242 242 242 THR THR A . n +A 1 243 THR 243 243 243 THR THR A . n +A 1 244 GLN 244 244 244 GLN GLN A . n +A 1 245 LYS 245 245 245 LYS LYS A . n +A 1 246 ALA 246 246 246 ALA ALA A . n +A 1 247 GLU 247 247 247 GLU GLU A . n +A 1 248 LYS 248 248 248 LYS LYS A . n +A 1 249 GLU 249 249 249 GLU GLU A . n +A 1 250 VAL 250 250 250 VAL VAL A . n +A 1 251 THR 251 251 251 THR THR A . n +A 1 252 ARG 252 252 252 ARG ARG A . n +A 1 253 MET 253 253 253 MET MET A . n +A 1 254 VAL 254 254 254 VAL VAL A . n +A 1 255 ILE 255 255 255 ILE ILE A . n +A 1 256 ILE 256 256 256 ILE ILE A . n +A 1 257 MET 257 257 257 MET MET A . n +A 1 258 VAL 258 258 258 VAL VAL A . n +A 1 259 ILE 259 259 259 ILE ILE A . n +A 1 260 ALA 260 260 260 ALA ALA A . n +A 1 261 PHE 261 261 261 PHE PHE A . n +A 1 262 LEU 262 262 262 LEU LEU A . n +A 1 263 ILE 263 263 263 ILE ILE A . n +A 1 264 CYS 264 264 264 CYS CYS A . n +A 1 265 TRP 265 265 265 TRP TRP A . n +A 1 266 LEU 266 266 266 LEU LEU A . n +A 1 267 PRO 267 267 267 PRO PRO A . n +A 1 268 TYR 268 268 268 TYR TYR A . n +A 1 269 ALA 269 269 269 ALA ALA A . n +A 1 270 GLY 270 270 270 GLY GLY A . n +A 1 271 VAL 271 271 271 VAL VAL A . n +A 1 272 ALA 272 272 272 ALA ALA A . n +A 1 273 PHE 273 273 273 PHE PHE A . n +A 1 274 TYR 274 274 274 TYR TYR A . n +A 1 275 ILE 275 275 275 ILE ILE A . n +A 1 276 PHE 276 276 276 PHE PHE A . n +A 1 277 THR 277 277 277 THR THR A . n +A 1 278 HIS 278 278 278 HIS HIS A . n +A 1 279 GLN 279 279 279 GLN GLN A . n +A 1 280 GLY 280 280 280 GLY GLY A . n +A 1 281 SER 281 281 281 SER SER A . n +A 1 282 ASP 282 282 282 ASP ASP A . n +A 1 283 PHE 283 283 283 PHE PHE A . n +A 1 284 GLY 284 284 284 GLY GLY A . n +A 1 285 PRO 285 285 285 PRO PRO A . n +A 1 286 ILE 286 286 286 ILE ILE A . n +A 1 287 PHE 287 287 287 PHE PHE A . n +A 1 288 MET 288 288 288 MET MET A . n +A 1 289 THR 289 289 289 THR THR A . n +A 1 290 ILE 290 290 290 ILE ILE A . n +A 1 291 PRO 291 291 291 PRO PRO A . n +A 1 292 ALA 292 292 292 ALA ALA A . n +A 1 293 PHE 293 293 293 PHE PHE A . n +A 1 294 PHE 294 294 294 PHE PHE A . n +A 1 295 ALA 295 295 295 ALA ALA A . n +A 1 296 LYS 296 296 296 LYS LYS A . n +A 1 297 THR 297 297 297 THR THR A . n +A 1 298 SER 298 298 298 SER SER A . n +A 1 299 ALA 299 299 299 ALA ALA A . n +A 1 300 VAL 300 300 300 VAL VAL A . n +A 1 301 TYR 301 301 301 TYR TYR A . n +A 1 302 ASN 302 302 302 ASN ASN A . n +A 1 303 PRO 303 303 303 PRO PRO A . n +A 1 304 VAL 304 304 304 VAL VAL A . n +A 1 305 ILE 305 305 305 ILE ILE A . n +A 1 306 TYR 306 306 306 TYR TYR A . n +A 1 307 ILE 307 307 307 ILE ILE A . n +A 1 308 MET 308 308 308 MET MET A . n +A 1 309 MET 309 309 309 MET MET A . n +A 1 310 ASN 310 310 310 ASN ASN A . n +A 1 311 LYS 311 311 311 LYS LYS A . n +A 1 312 GLN 312 312 312 GLN GLN A . n +A 1 313 PHE 313 313 313 PHE PHE A . n +A 1 314 ARG 314 314 314 ARG ARG A . n +A 1 315 ASN 315 315 315 ASN ASN A . n +A 1 316 CYS 316 316 316 CYS CYS A . n +A 1 317 MET 317 317 317 MET MET A . n +A 1 318 VAL 318 318 318 VAL VAL A . n +A 1 319 THR 319 319 319 THR THR A . n +A 1 320 THR 320 320 320 THR THR A . n +A 1 321 LEU 321 321 321 LEU LEU A . n +A 1 322 CYS 322 322 322 CYS CYS A . n +A 1 323 CYS 323 323 323 CYS CYS A . n +A 1 324 GLY 324 324 324 GLY GLY A . n +A 1 325 LYS 325 325 325 LYS LYS A . n +A 1 326 ASN 326 326 326 ASN ASN A . n +A 1 327 PRO 327 327 ? ? ? A . n +A 1 328 LEU 328 328 ? ? ? A . n +A 1 329 GLY 329 329 ? ? ? A . n +A 1 330 ASP 330 330 ? ? ? A . n +A 1 331 ASP 331 331 ? ? ? A . n +A 1 332 GLU 332 332 ? ? ? A . n +A 1 333 ALA 333 333 ? ? ? A . n +A 1 334 SER 334 334 ? ? ? A . n +A 1 335 THR 335 335 ? ? ? A . n +A 1 336 THR 336 336 ? ? ? A . n +A 1 337 VAL 337 337 ? ? ? A . n +A 1 338 SER 338 338 ? ? ? A . n +A 1 339 LYS 339 339 ? ? ? A . n +A 1 340 THR 340 340 ? ? ? A . n +A 1 341 GLU 341 341 ? ? ? A . n +A 1 342 THR 342 342 ? ? ? A . n +A 1 343 SER 343 343 ? ? ? A . n +A 1 344 GLN 344 344 ? ? ? A . n +A 1 345 VAL 345 345 ? ? ? A . n +A 1 346 ALA 346 346 ? ? ? A . n +A 1 347 PRO 347 347 ? ? ? A . n +A 1 348 ALA 348 348 ? ? ? A . n +B 2 1 ILE 1 340 340 ILE ILE B . n +B 2 2 LEU 2 341 341 LEU LEU B . n +B 2 3 GLU 3 342 342 GLU GLU B . n +B 2 4 ASN 4 343 343 ASN ASN B . n +B 2 5 LEU 5 344 344 LEU LEU B . n +B 2 6 LYS 6 345 345 LYS LYS B . n +B 2 7 ASP 7 346 346 ASP ASP B . n +B 2 8 VAL 8 347 347 VAL VAL B . n +B 2 9 GLY 9 348 348 GLY GLY B . n +B 2 10 LEU 10 349 349 LEU LEU B . n +B 2 11 PHE 11 350 350 PHE PHE B . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +E 5 RET 1 401 401 RET RET A . +F 6 NAG 1 501 501 NAG NAG A . +G 7 BOG 1 601 601 BOG BOG A . +H 7 BOG 1 602 602 BOG BOG A . +I 8 PLM 1 701 701 PLM PLM A . +J 9 SO4 1 801 801 SO4 SO4 A . +K 10 ACT 1 901 901 ACT ACT A . +L 10 ACT 1 902 902 ACT ACT A . +M 11 HOH 1 349 1 HOH HOH A . +M 11 HOH 2 350 2 HOH HOH A . +M 11 HOH 3 351 3 HOH HOH A . +M 11 HOH 4 352 6 HOH HOH A . +M 11 HOH 5 353 7 HOH HOH A . +M 11 HOH 6 354 8 HOH HOH A . +M 11 HOH 7 355 9 HOH HOH A . +M 11 HOH 8 356 10 HOH HOH A . +M 11 HOH 9 357 11 HOH HOH A . +M 11 HOH 10 358 12 HOH HOH A . +M 11 HOH 11 359 13 HOH HOH A . +M 11 HOH 12 360 14 HOH HOH A . +M 11 HOH 13 361 15 HOH HOH A . +M 11 HOH 14 362 16 HOH HOH A . +M 11 HOH 15 363 17 HOH HOH A . +M 11 HOH 16 364 18 HOH HOH A . +M 11 HOH 17 365 19 HOH HOH A . +M 11 HOH 18 366 20 HOH HOH A . +M 11 HOH 19 367 22 HOH HOH A . +N 11 HOH 1 4 4 HOH HOH B . +N 11 HOH 2 5 5 HOH HOH B . +N 11 HOH 3 21 21 HOH HOH B . +N 11 HOH 4 23 23 HOH HOH B . +# +_pdbx_molecule_features.prd_id PRD_900006 +_pdbx_molecule_features.name trehalose +_pdbx_molecule_features.type Oligosaccharide +_pdbx_molecule_features.class Nutrient +_pdbx_molecule_features.details 'oligosaccharide with reducing-end-to-reducing-end glycosidic bond' +# +_pdbx_molecule.instance_id 1 +_pdbx_molecule.prd_id PRD_900006 +_pdbx_molecule.asym_id D +# +loop_ +_pdbx_struct_mod_residue.id +_pdbx_struct_mod_residue.label_asym_id +_pdbx_struct_mod_residue.label_comp_id +_pdbx_struct_mod_residue.label_seq_id +_pdbx_struct_mod_residue.auth_asym_id +_pdbx_struct_mod_residue.auth_comp_id +_pdbx_struct_mod_residue.auth_seq_id +_pdbx_struct_mod_residue.PDB_ins_code +_pdbx_struct_mod_residue.parent_comp_id +_pdbx_struct_mod_residue.details +1 A ASN 15 A ASN 15 ? ASN 'GLYCOSYLATION SITE' +2 A ASN 2 A ASN 2 ? ASN 'GLYCOSYLATION SITE' +# +loop_ +_pdbx_struct_assembly.id +_pdbx_struct_assembly.details +_pdbx_struct_assembly.method_details +_pdbx_struct_assembly.oligomeric_details +_pdbx_struct_assembly.oligomeric_count +1 author_and_software_defined_assembly PISA dimeric 2 +2 software_defined_assembly PISA tetrameric 4 +# +loop_ +_pdbx_struct_assembly_gen.assembly_id +_pdbx_struct_assembly_gen.oper_expression +_pdbx_struct_assembly_gen.asym_id_list +1 1 A,B,C,D,E,F,G,H,I,J,K,L,M,N +2 1,2 A,B,C,D,E,F,G,H,I,J,K,L,M,N +# +loop_ +_pdbx_struct_assembly_prop.biol_id +_pdbx_struct_assembly_prop.type +_pdbx_struct_assembly_prop.value +_pdbx_struct_assembly_prop.details +1 'ABSA (A^2)' 4400 ? +1 MORE -13 ? +1 'SSA (A^2)' 17630 ? +2 'ABSA (A^2)' 11990 ? +2 MORE -42 ? +2 'SSA (A^2)' 32070 ? +# +loop_ +_pdbx_struct_oper_list.id +_pdbx_struct_oper_list.type +_pdbx_struct_oper_list.name +_pdbx_struct_oper_list.symmetry_operation +_pdbx_struct_oper_list.matrix[1][1] +_pdbx_struct_oper_list.matrix[1][2] +_pdbx_struct_oper_list.matrix[1][3] +_pdbx_struct_oper_list.vector[1] +_pdbx_struct_oper_list.matrix[2][1] +_pdbx_struct_oper_list.matrix[2][2] +_pdbx_struct_oper_list.matrix[2][3] +_pdbx_struct_oper_list.vector[2] +_pdbx_struct_oper_list.matrix[3][1] +_pdbx_struct_oper_list.matrix[3][2] +_pdbx_struct_oper_list.matrix[3][3] +_pdbx_struct_oper_list.vector[3] +1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 +0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 +2 'crystal symmetry operation' 5_556 x-y,-y,-z+1 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 +0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 109.8700000000 +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 2011-03-09 +2 'Structure model' 1 1 2011-07-13 +3 'Structure model' 2 0 2020-07-29 +# +loop_ +_pdbx_audit_revision_details.ordinal +_pdbx_audit_revision_details.revision_ordinal +_pdbx_audit_revision_details.data_content_type +_pdbx_audit_revision_details.provider +_pdbx_audit_revision_details.type +_pdbx_audit_revision_details.description +_pdbx_audit_revision_details.details +1 1 'Structure model' repository 'Initial release' ? ? +2 3 'Structure model' repository Remediation 'Carbohydrate remediation' ? +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Version format compliance' +2 3 'Structure model' 'Atomic model' +3 3 'Structure model' 'Data collection' +4 3 'Structure model' 'Database references' +5 3 'Structure model' 'Derived calculations' +6 3 'Structure model' 'Non-polymer description' +7 3 'Structure model' 'Structure summary' +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 3 'Structure model' atom_site +2 3 'Structure model' chem_comp +3 3 'Structure model' entity +4 3 'Structure model' entity_name_com +5 3 'Structure model' pdbx_branch_scheme +6 3 'Structure model' pdbx_chem_comp_identifier +7 3 'Structure model' pdbx_entity_branch +8 3 'Structure model' pdbx_entity_branch_descriptor +9 3 'Structure model' pdbx_entity_branch_link +10 3 'Structure model' pdbx_entity_branch_list +11 3 'Structure model' pdbx_entity_nonpoly +12 3 'Structure model' pdbx_molecule_features +13 3 'Structure model' pdbx_nonpoly_scheme +14 3 'Structure model' pdbx_struct_assembly_gen +15 3 'Structure model' struct_asym +16 3 'Structure model' struct_conn +17 3 'Structure model' struct_ref_seq_dif +18 3 'Structure model' struct_site +19 3 'Structure model' struct_site_gen +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 3 'Structure model' '_atom_site.B_iso_or_equiv' +2 3 'Structure model' '_atom_site.Cartn_x' +3 3 'Structure model' '_atom_site.Cartn_y' +4 3 'Structure model' '_atom_site.Cartn_z' +5 3 'Structure model' '_atom_site.auth_asym_id' +6 3 'Structure model' '_atom_site.auth_atom_id' +7 3 'Structure model' '_atom_site.auth_comp_id' +8 3 'Structure model' '_atom_site.auth_seq_id' +9 3 'Structure model' '_atom_site.label_asym_id' +10 3 'Structure model' '_atom_site.label_atom_id' +11 3 'Structure model' '_atom_site.label_comp_id' +12 3 'Structure model' '_atom_site.label_entity_id' +13 3 'Structure model' '_atom_site.type_symbol' +14 3 'Structure model' '_chem_comp.formula' +15 3 'Structure model' '_chem_comp.formula_weight' +16 3 'Structure model' '_chem_comp.id' +17 3 'Structure model' '_chem_comp.mon_nstd_flag' +18 3 'Structure model' '_chem_comp.name' +19 3 'Structure model' '_chem_comp.pdbx_synonyms' +20 3 'Structure model' '_chem_comp.type' +21 3 'Structure model' '_pdbx_struct_assembly_gen.asym_id_list' +22 3 'Structure model' '_struct_ref_seq_dif.details' +# +loop_ +_software.name +_software.classification +_software.version +_software.citation_id +_software.pdbx_ordinal +MAR345dtb 'data collection' . ? 1 +PHASER phasing . ? 2 +REFMAC refinement 5.5.0072 ? 3 +XDS 'data reduction' . ? 4 +SCALA 'data scaling' . ? 5 +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.label_alt_id +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 TYR A 29 ? ? -68.79 1.86 +2 1 ALA A 32 ? ? -177.22 142.18 +3 1 SER A 176 ? ? 50.67 -168.52 +4 1 ASN A 199 ? ? 72.23 41.33 +5 1 PHE A 212 ? ? -122.98 -60.20 +6 1 GLN A 237 ? ? -153.84 36.89 +7 1 HIS A 278 ? ? -114.53 62.18 +8 1 ILE A 307 ? ? -125.67 -65.45 +9 1 CYS A 322 ? ? -98.08 50.72 +10 1 CYS A 323 ? ? 63.03 -106.79 +# +loop_ +_pdbx_unobs_or_zero_occ_residues.id +_pdbx_unobs_or_zero_occ_residues.PDB_model_num +_pdbx_unobs_or_zero_occ_residues.polymer_flag +_pdbx_unobs_or_zero_occ_residues.occupancy_flag +_pdbx_unobs_or_zero_occ_residues.auth_asym_id +_pdbx_unobs_or_zero_occ_residues.auth_comp_id +_pdbx_unobs_or_zero_occ_residues.auth_seq_id +_pdbx_unobs_or_zero_occ_residues.PDB_ins_code +_pdbx_unobs_or_zero_occ_residues.label_asym_id +_pdbx_unobs_or_zero_occ_residues.label_comp_id +_pdbx_unobs_or_zero_occ_residues.label_seq_id +1 1 Y 1 A PRO 327 ? A PRO 327 +2 1 Y 1 A LEU 328 ? A LEU 328 +3 1 Y 1 A GLY 329 ? A GLY 329 +4 1 Y 1 A ASP 330 ? A ASP 330 +5 1 Y 1 A ASP 331 ? A ASP 331 +6 1 Y 1 A GLU 332 ? A GLU 332 +7 1 Y 1 A ALA 333 ? A ALA 333 +8 1 Y 1 A SER 334 ? A SER 334 +9 1 Y 1 A THR 335 ? A THR 335 +10 1 Y 1 A THR 336 ? A THR 336 +11 1 Y 1 A VAL 337 ? A VAL 337 +12 1 Y 1 A SER 338 ? A SER 338 +13 1 Y 1 A LYS 339 ? A LYS 339 +14 1 Y 1 A THR 340 ? A THR 340 +15 1 Y 1 A GLU 341 ? A GLU 341 +16 1 Y 1 A THR 342 ? A THR 342 +17 1 Y 1 A SER 343 ? A SER 343 +18 1 Y 1 A GLN 344 ? A GLN 344 +19 1 Y 1 A VAL 345 ? A VAL 345 +20 1 Y 1 A ALA 346 ? A ALA 346 +21 1 Y 1 A PRO 347 ? A PRO 347 +22 1 Y 1 A ALA 348 ? A ALA 348 +# +loop_ +_pdbx_branch_scheme.asym_id +_pdbx_branch_scheme.entity_id +_pdbx_branch_scheme.mon_id +_pdbx_branch_scheme.num +_pdbx_branch_scheme.pdb_asym_id +_pdbx_branch_scheme.pdb_mon_id +_pdbx_branch_scheme.pdb_seq_num +_pdbx_branch_scheme.auth_asym_id +_pdbx_branch_scheme.auth_mon_id +_pdbx_branch_scheme.auth_seq_num +_pdbx_branch_scheme.hetero +C 3 NAG 1 C NAG 1 A NAG 402 n +C 3 NAG 2 C NAG 2 A NAG 403 n +C 3 BMA 3 C BMA 3 A BMA 404 n +C 3 MAN 4 C MAN 4 A MAN 405 n +D 4 GLC 1 D GLC 1 A TRE 1001 n +D 4 GLC 2 D GLC 2 A TRE 1001 n +# +loop_ +_pdbx_chem_comp_identifier.comp_id +_pdbx_chem_comp_identifier.type +_pdbx_chem_comp_identifier.program +_pdbx_chem_comp_identifier.program_version +_pdbx_chem_comp_identifier.identifier +BMA 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML 1.0 DManpb +BMA 'COMMON NAME' GMML 1.0 b-D-mannopyranose +BMA 'IUPAC CARBOHYDRATE SYMBOL' PDB-CARE 1.0 b-D-Manp +BMA 'SNFG CARBOHYDRATE SYMBOL' GMML 1.0 Man +BOG 'IUPAC CARBOHYDRATE SYMBOL' PDB-CARE 1.0 b-octylglucoside +GLC 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML 1.0 DGlcpa +GLC 'COMMON NAME' GMML 1.0 a-D-glucopyranose +GLC 'IUPAC CARBOHYDRATE SYMBOL' PDB-CARE 1.0 a-D-Glcp +GLC 'SNFG CARBOHYDRATE SYMBOL' GMML 1.0 Glc +MAN 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML 1.0 DManpa +MAN 'COMMON NAME' GMML 1.0 a-D-mannopyranose +MAN 'IUPAC CARBOHYDRATE SYMBOL' PDB-CARE 1.0 a-D-Manp +MAN 'SNFG CARBOHYDRATE SYMBOL' GMML 1.0 Man +NAG 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML 1.0 DGlcpNAcb +NAG 'COMMON NAME' GMML 1.0 N-acetyl-b-D-glucopyranosamine +NAG 'IUPAC CARBOHYDRATE SYMBOL' PDB-CARE 1.0 b-D-GlcpNAc +NAG 'SNFG CARBOHYDRATE SYMBOL' GMML 1.0 GlcNAc +# +loop_ +_pdbx_entity_branch.entity_id +_pdbx_entity_branch.type +3 oligosaccharide +4 oligosaccharide +# +loop_ +_pdbx_entity_branch_descriptor.ordinal +_pdbx_entity_branch_descriptor.entity_id +_pdbx_entity_branch_descriptor.descriptor +_pdbx_entity_branch_descriptor.type +_pdbx_entity_branch_descriptor.program +_pdbx_entity_branch_descriptor.program_version +1 3 DManpa1-3DManpb1-4DGlcpNAcb1-4DGlcpNAcb1- +'Glycam Condensed Sequence' GMML 1.0 +2 3 'WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3/a4-b1_b4-c1_c3-d1' WURCS PDB2Glycan 1.1.0 +3 3 '[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}}}}}' LINUCS PDB-CARE ? +4 4 DGlcpa1-1DGlcpa +'Glycam Condensed Sequence' GMML 1.0 +5 4 'WURCS=2.0/1,2,1/[a2122h-1a_1-5]/1-1/a1-b1' WURCS PDB2Glycan 1.1.0 +6 4 '[][a-D-Glcp]{[(1+1)][a-D-Glcp]{}}' LINUCS PDB-CARE ? +# +loop_ +_pdbx_entity_branch_link.link_id +_pdbx_entity_branch_link.entity_id +_pdbx_entity_branch_link.entity_branch_list_num_1 +_pdbx_entity_branch_link.comp_id_1 +_pdbx_entity_branch_link.atom_id_1 +_pdbx_entity_branch_link.leaving_atom_id_1 +_pdbx_entity_branch_link.entity_branch_list_num_2 +_pdbx_entity_branch_link.comp_id_2 +_pdbx_entity_branch_link.atom_id_2 +_pdbx_entity_branch_link.leaving_atom_id_2 +_pdbx_entity_branch_link.value_order +_pdbx_entity_branch_link.details +1 3 2 NAG C1 O1 1 NAG O4 HO4 sing ? +2 3 3 BMA C1 O1 2 NAG O4 HO4 sing ? +3 3 4 MAN C1 O1 3 BMA O3 HO3 sing ? +4 4 1 GLC C1 O1 2 GLC O1 HO1 sing ? +# +loop_ +_pdbx_entity_branch_list.entity_id +_pdbx_entity_branch_list.comp_id +_pdbx_entity_branch_list.num +_pdbx_entity_branch_list.hetero +3 NAG 1 n +3 NAG 2 n +3 BMA 3 n +3 MAN 4 n +4 GLC 1 n +4 GLC 2 n +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.name +_pdbx_entity_nonpoly.comp_id +5 RETINAL RET +6 2-acetamido-2-deoxy-beta-D-glucopyranose NAG +7 'octyl beta-D-glucopyranoside' BOG +8 'PALMITIC ACID' PLM +9 'SULFATE ION' SO4 +10 'ACETATE ION' ACT +11 water HOH +# From 5b080226711712d4823cc2427e2cc1f4938cd9fb Mon Sep 17 00:00:00 2001 From: Jorge <97254349+Jgmedina95@users.noreply.github.com> Date: Tue, 23 Jan 2024 16:40:33 -0500 Subject: [PATCH 7/9] 69 dealing with simulfiles (#70) 1. add FileType.RECORD functionality in writefilenames and get ids at the path registry (write name and get id) 2. Add handling temp files in setup and run: if final record files are saved in the path registry, if not they get deleted. --- .../preprocess_tools/clean_tools.py | 5 +- .../simulation_tools/setup_and_run.py | 250 +++++++++++++----- mdagent/utils/path_registry.py | 17 +- tests/test_fxns.py | 10 +- 4 files changed, 210 insertions(+), 72 deletions(-) diff --git a/mdagent/tools/base_tools/preprocess_tools/clean_tools.py b/mdagent/tools/base_tools/preprocess_tools/clean_tools.py index e6d408f1..a9c53d3f 100644 --- a/mdagent/tools/base_tools/preprocess_tools/clean_tools.py +++ b/mdagent/tools/base_tools/preprocess_tools/clean_tools.py @@ -227,7 +227,6 @@ class CleaningToolFunctionInput(BaseModel): """Input model for CleaningToolFunction""" pdb_id: str = Field(..., description="ID of the pdb/cif file in the path registry") - output_path: Optional[str] = Field(..., description="Path to the output file") replace_nonstandard_residues: bool = Field( True, description="Whether to replace nonstandard residues with standard ones. " ) @@ -301,7 +300,7 @@ def _run(self, **input_args) -> str: pdbfile_name = pdbfile.split("/")[-1] name = pdbfile_name.split("_")[0] end = pdbfile_name.split(".")[1] - print(f"pdbfile: {pdbfile}", f"name: {name}", f"end: {end}") + except Exception as e: print(f"error retrieving from path_registry, trying to read file {e}") return "File not found in path registry. " @@ -384,7 +383,7 @@ def _run(self, **input_args) -> str: self.path_registry.map_path( file_id, f"{directory}/{file_name}", file_description ) - return f"{file_id} written to {directory}/{file_name}" + return f"File cleaned!\nFile ID:{file_id}\nPath:{directory}/{file_name}" except FileNotFoundError: return "Check your file path. File not found." except Exception as e: diff --git a/mdagent/tools/base_tools/simulation_tools/setup_and_run.py b/mdagent/tools/base_tools/simulation_tools/setup_and_run.py index 53f558ee..e3f240c2 100644 --- a/mdagent/tools/base_tools/simulation_tools/setup_and_run.py +++ b/mdagent/tools/base_tools/simulation_tools/setup_and_run.py @@ -550,6 +550,22 @@ async def _arun(self, query: str) -> str: class SetUpandRunFunctionInput(BaseModel): pdb_id: str forcefield_files: List[str] + final: bool = Field( + False, + description=( + ( + "Set to 'True' when the simulation is the desired final version. " + "Determines whether the simulation is the primary one " + "intended for final use. If set to 'False' (default), " + "the simulation is considered as being in a testing " + "or preliminary scripting stage, utilizing default parameters. " + "This setting is ideal for initial experimentation or " + "basic script development before customizing the " + "script for final use." + ) + ), + ) + system_params: Dict[str, Any] = Field( { "nonbondedMethod": "NoCutoff", @@ -559,29 +575,30 @@ class SetUpandRunFunctionInput(BaseModel): "rigidWater": False, "constraintTolerance": None, }, - description="""Parameters for the openmm system. - For nonbondedMethod, you can choose from the following: - NoCutoff, CutoffNonPeriodic, CutoffPeriodic, Ewald, PME. - If anything but NoCutoff is chosen, - you have to include a nonbondedCutoff - and a constrainTolerance. - If PME is chosen, - you have to include an ewaldErrorTolerance too. - For constraints, you can choose from the following: - None, HBonds, AllBonds or OnlyWater. - For rigidWater, you can choose from the following: - True, False. - Example1: - {"nonbondedMethod": 'NoCutoff', - "constraints": 'None', - "rigidWater": False} - Example2: - {"nonbondedMethod": 'CutoffPeriodic', - "nonbondedCutoff": 1.0, - "constraints": 'HBonds', - "rigidWater": True, - "constraintTolerance": 0.00001} - """, + description=( + "Parameters for the openmm system. " + "For nonbondedMethod, you can choose from the following:\n" + "NoCutoff, CutoffNonPeriodic, CutoffPeriodic, Ewald, PME. " + "If anything but NoCutoff is chosen," + "you have to include a nonbondedCutoff" + "and a constrainTolerance.\n" + "If PME is chosen," + "you have to include an ewaldErrorTolerance too." + "For constraints, you can choose from the following:\n" + "None, HBonds, AllBonds or OnlyWater." + "For rigidWater, you can choose from the following:\n" + "True, False.\n" + "Example1:\n" + "{'nonbondedMethod': 'NoCutoff',\n" + "'constraints': 'None',\n" + "'rigidWater': False}\n" + "Example2:\n" + "{'nonbondedMethod': 'CutoffPeriodic',\n" + "'nonbondedCutoff': 1.0,\n" + "'constraints': 'HBonds',\n" + "'rigidWater': True,\n" + "'constraintTolerance': 0.00001} " + ), ) integrator_params: Dict[str, Any] = Field( { @@ -618,9 +635,17 @@ class SetUpandRunFunctionInput(BaseModel): class OpenMMSimulation: def __init__( - self, input_params: SetUpandRunFunctionInput, path_registry: PathRegistry + self, + input_params: SetUpandRunFunctionInput, + path_registry: PathRegistry, + final: bool, + sim_id: str, + pdb_id: str, ): self.params = input_params + self.final = final + self.sim_id = sim_id + self.pdb_id = pdb_id self.int_params = self.params.get("integrator_params", None) if self.int_params is None: self.int_params = { @@ -709,23 +734,74 @@ def create_simulation(self): ) self.simulation.context.setPositions(self.pdb.positions) - # Add reporters for output - self.simulation.reporters.append( - DCDReporter( - "trajectory.dcd", - self.sim_params["record_interval_steps"], + # TEMPORARY FILE MANAGEMENT OR PATH REGISTRY MAPPING + if self.final: + trajectory_name = self.path_registry.write_file_name( + type=FileType.RECORD, + record_type="TRAJ", + protein_file_id=self.pdb_id, + Sim_id=self.sim_id, + term="dcd", ) - ) - self.simulation.reporters.append( - StateDataReporter( - "log.txt", - self.sim_params["record_interval_steps"], - step=True, - potentialEnergy=True, - temperature=True, - separator="\t", + + log_name = self.path_registry.write_file_name( + type=FileType.RECORD, + record_type="LOG", + protein_file_id=self.pdb_id, + Sim_id=self.sim_id, + term="txt", + ) + traj_id = self.path_registry.get_fileid(trajectory_name, FileType.RECORD) + log_id = self.path_registry.get_fileid(log_name, FileType.RECORD) + traj_desc = ( + f"Simulation trajectory for protein {self.pdb_id}" + f" and simulation {self.sim_id}" + ) + log_desc = ( + f"Simulation state log for protein {self.pdb_id} " + f"and simulation {self.sim_id}" + ) + + self.simulation.reporters.append( + DCDReporter( + f"{trajectory_name}", + self.sim_params["record_interval_steps"], + ) + ) + self.simulation.reporters.append( + StateDataReporter( + f"{log_name}", + self.sim_params["record_interval_steps"], + step=True, + potentialEnergy=True, + temperature=True, + separator="\t", + ) + ) + self.registry_records = [ + (traj_id, f"files/records/{trajectory_name}", traj_desc), + (log_id, f"files/records/{log_name}", log_desc), + ] + + # TODO add checkpoint too? + + else: + self.simulation.reporters.append( + DCDReporter( + "temp_trajectory.dcd", + self.sim_params["record_interval_steps"], + ) + ) + self.simulation.reporters.append( + StateDataReporter( + "temp_log.txt", + self.sim_params["record_interval_steps"], + step=True, + potentialEnergy=True, + temperature=True, + separator="\t", + ) ) - ) def _create_system( self, @@ -858,13 +934,13 @@ def unit_to_string(unit): steps = {self.sim_params.get("Number of Steps", record_interval_steps)} equilibrationSteps = 1000 platform = Platform.getPlatformByName('CPU') - dcdReporter = DCDReporter('trajectory.dcd', 10000) + dcdReporter = DCDReporter('trajectory.dcd', 1000) dataReporter = StateDataReporter('log.txt', {record_interval_steps}, totalSteps=steps, step=True, speed=True, progress=True, elapsedTime=True, remainingTime=True, potentialEnergy=True, temperature=True, volume=True, density=True, separator='\t') - checkpointReporter = CheckpointReporter('checkpoint.chk', 10000) + checkpointReporter = CheckpointReporter('checkpoint.chk', 5000) # Minimize and Equilibrate # ... code for minimization and equilibration ... @@ -989,16 +1065,26 @@ def run(self): self.simulation.currentStep = 0 self.simulation.step(self.sim_params["Number of Steps"]) print("Done!") + if not self.final: + if os.path.exists("temp_trajectory.dcd"): + os.remove("temp_trajectory.dcd") + if os.path.exists("temp_log.txt"): + os.remove("temp_log.txt") + if os.path.exists("temp_checkpoint.chk"): + os.remove("temp_checkpoint.chk") + return "Simulation done!" class SetUpandRunFunction(BaseTool): name: str = "SetUpandRunFunction" - description: str = """This tool will set up and run a short simulation of a protein. - Then will write a standalone script that can be used - to reproduce the simulation or change accordingly for - a more elaborate simulation. It only runs short simulations because, - if there are errors you can try again changing the input""" + description: str = ( + "This tool will set up and run a short simulation of a protein. " + "Then will write a standalone script that can be used " + "to reproduce the simulation or change accordingly for " + "a more elaborate simulation. It only runs short simulations because, " + "if there are errors, you can try again changing the input" + ) args_schema: Type[BaseModel] = SetUpandRunFunctionInput @@ -1009,17 +1095,43 @@ def _run(self, **input_args): print("Path registry not initialized") return "Path registry not initialized" input = self.check_system_params(input_args) - error = input.get("error", None) if error: + print(f"error found: {error}") return error + try: pdb_id = input["pdb_id"] + # check if pdb_id is in the registry or as 1XYZ_112233 format + if pdb_id not in self.path_registry.list_path_names(): + return "No pdb_id found in input, use the file id not the file name" except KeyError: print("whoops no pdb_id found in input,", input) return "No pdb_id found in input" try: - Simulation = OpenMMSimulation(input, self.path_registry) + final = input["final"] # either this simulation + # the final one or not for this system + except KeyError: + final = False + print( + "No 'final' key found in input, setting to False. " + "Record files will be deleted after script is written." + ) + try: + file_name = self.path_registry.write_file_name( + type=FileType.SIMULATION, + type_of_sim=input["simmulation_params"]["Ensemble"], + protein_file_id=pdb_id, + ) + + sim_id = self.path_registry.get_fileid(file_name, FileType.SIMULATION) + except Exception as e: + print(f"An exception was found: {str(e)}.") + return f"An exception was found trying to write the filenames: {str(e)}." + try: + Simulation = OpenMMSimulation( + input, self.path_registry, final, sim_id, pdb_id + ) print("simulation set!") except ValueError as e: return str(e) + f"This were the inputs {input_args}" @@ -1030,27 +1142,36 @@ def _run(self, **input_args): try: Simulation.run() except Exception as e: - return f"""An exception was found: {str(e)}. Not a problem, thats one - purpose of this tool: to run a short simulation to check for correct - initialization. \n\n Try a) with different parameters like - nonbondedMethod, constraints, etc or b) clean file inputs depending on error - """ - try: - file_name = self.path_registry.write_file_name( - type=FileType.SIMULATION, - type_of_sim=input["simmulation_params"]["Ensemble"], - protein_file_id=pdb_id, + return ( + f"An exception was found: {str(e)}. Not a problem, thats one " + "purpose of this tool: to run a short simulation to check for correct " + "initialization. " + "" + "Try a) with different parameters like " + "nonbondedMethod, constraints, etc \n or\n" + "b) clean file inputs depending on error " ) - file_id = self.path_registry.get_fileid(file_name, FileType.SIMULATION) + try: Simulation.write_standalone_script(filename=file_name) self.path_registry.map_path( - file_id, file_name, f"Basic Simulation of Protein {pdb_id}" + sim_id, + f"files/simulations/{file_name}", + f"Basic Simulation of Protein {pdb_id}", ) + if final: + records = Simulation.registry_records + # move record files to files/records/ + print(os.listdir(".")) + if not os.path.exists("files/records"): + os.makedirs("files/records") + for record in records: + os.rename(record[1].split("/")[-1], f"{record[1]}") + for record in records: + self.path_registry.map_path(*record) return "Simulation done!" except Exception as e: print(f"An exception was found: {str(e)}.") - return f"""An exception was found trying to write the filenames: {str(e)}. - """ + return f"An exception was found trying to write the filenames: {str(e)}." def _parse_cutoff(self, cutoff): # Check if cutoff is already an OpenMM Quantity (has a unit) @@ -1481,6 +1602,10 @@ def check_system_params(cls, values): if file not in FORCEFIELD_LIST: error_msg += "The forcefield file is not present" + final = values.get("final", False) + if type(final) != bool: + error_msg += "final must be a boolean value" + if error_msg != "": return { "error": error_msg @@ -1489,6 +1614,7 @@ def check_system_params(cls, values): values = { "pdb_id": pdb_id, "forcefield_files": forcefield_files, + "final": final, "system_params": system_params, "integrator_params": integrator_params, "simmulation_params": simmulation_params, diff --git a/mdagent/utils/path_registry.py b/mdagent/utils/path_registry.py index b5733fd3..702833ca 100644 --- a/mdagent/utils/path_registry.py +++ b/mdagent/utils/path_registry.py @@ -56,13 +56,13 @@ def _check_json_content(self, name): return name in data # we use this fxn to "save" files (paths) to the json file - def map_path(self, name, path, description=None): + def map_path(self, file_id, path, description=None): description = description or "No description provided" full_path = self._get_full_path(path) - path_dict = {name: {"path": full_path, "description": description}} + path_dict = {file_id: {"path": full_path, "description": description}} self._save_mapping_to_json(path_dict) - saved = self._check_json_content(name) - return f"Path {'successfully' if saved else 'not'} mapped to name: {name}" + saved = self._check_json_content(file_id) + return f"Path {'successfully' if saved else 'not'} mapped to name: {file_id}" # this if we want to get the path. not use as often def get_mapped_path(self, name): @@ -159,6 +159,7 @@ def write_file_name(self, type: FileType, **kwargs): conditions = kwargs.get("conditions", None) Sim_id = kwargs.get("Sim_id", None) modified = kwargs.get("modified", False) + term = kwargs.get("term", "term") # Default term if not provided file_name = "" if type == FileType.PROTEIN: file_name += f"{protein_name}_{description}_{time_stamp}.{file_format}" @@ -171,6 +172,14 @@ def write_file_name(self, type: FileType, **kwargs): file_name += f"{Sim_id}_MOD_{time_stamp}.py" else: file_name += f"{type_of_sim}_{protein_file_id}_{time_stamp}.py" + if type == FileType.RECORD: + record_type_name = kwargs.get("record_type", "RECORD") + term = kwargs.get("term", "term") # Default term if not provided + + file_name = ( + f"{record_type_name}_{Sim_id}_{protein_file_id}_" f"{time_stamp}.{term}" + ) + if file_name == "": file_name += "ErrorDuringNaming_error.py" return file_name diff --git a/tests/test_fxns.py b/tests/test_fxns.py index 5b136a88..67f6ae34 100644 --- a/tests/test_fxns.py +++ b/tests/test_fxns.py @@ -229,12 +229,16 @@ def test_write_file_name_simulation_default(path_registry): assert file_name == "MD_123_20240109.py" -@pytest.mark.skip(reason="not implemented for record files") def test_write_file_name_record(path_registry): file_name = path_registry.write_file_name( - FileType.RECORD, protein_file_id="123", Sim_id="SIM456", time_stamp="20240109" + FileType.RECORD, + record_type="REC", + protein_file_id="123", + Sim_id="SIM456", + term="dcd", + time_stamp="20240109", ) - assert file_name == "123_SIM456_20240109" + assert file_name == "REC_SIM456_123_20240109.dcd" def test_map_path(): From 232a7d89a44f1057975777feccac7218c9178fc5 Mon Sep 17 00:00:00 2001 From: Jorge Date: Wed, 24 Jan 2024 13:50:27 -0500 Subject: [PATCH 8/9] 1. change final to save in setup and run and change its description. 2. fix bug in cleaningtool with pdbfile_name assignment --- .../base_tools/simulation_tools/setup_and_run.py | 15 ++++++++------- 1 file changed, 8 insertions(+), 7 deletions(-) diff --git a/mdagent/tools/base_tools/simulation_tools/setup_and_run.py b/mdagent/tools/base_tools/simulation_tools/setup_and_run.py index e3f240c2..b4c929b0 100644 --- a/mdagent/tools/base_tools/simulation_tools/setup_and_run.py +++ b/mdagent/tools/base_tools/simulation_tools/setup_and_run.py @@ -550,16 +550,17 @@ async def _arun(self, query: str) -> str: class SetUpandRunFunctionInput(BaseModel): pdb_id: str forcefield_files: List[str] - final: bool = Field( - False, + save: bool = Field( + True, description=( ( - "Set to 'True' when the simulation is the desired final version. " - "Determines whether the simulation is the primary one " - "intended for final use. If set to 'False' (default), " + "Set to 'True' (default) to save the log files and trajectories " + "of the simulation. " + "If set to 'False', " "the simulation is considered as being in a testing " - "or preliminary scripting stage, utilizing default parameters. " - "This setting is ideal for initial experimentation or " + "or preliminary scripting stage, utilizing default parameters and " + "results are not saved. " + "This second setting is ideal for initial experimentation or " "basic script development before customizing the " "script for final use." ) From f9b19c86f32c172eb5b77cfc4e6c99f9fc7ab50d Mon Sep 17 00:00:00 2001 From: Jorge Date: Wed, 24 Jan 2024 13:56:20 -0500 Subject: [PATCH 9/9] Changing final to save parameter inside setup and run function --- .../preprocess_tools/clean_tools.py | 8 ++++-- .../simulation_tools/setup_and_run.py | 28 +++++++++---------- 2 files changed, 19 insertions(+), 17 deletions(-) diff --git a/mdagent/tools/base_tools/preprocess_tools/clean_tools.py b/mdagent/tools/base_tools/preprocess_tools/clean_tools.py index a9c53d3f..023d37d6 100644 --- a/mdagent/tools/base_tools/preprocess_tools/clean_tools.py +++ b/mdagent/tools/base_tools/preprocess_tools/clean_tools.py @@ -277,6 +277,7 @@ def _run(self, **input_args) -> str: else: input_args = input_args pdbfile_id = input_args.get("pdb_id", None) + # TODO check if pdbfile_id is a valid pdb_id from the registry if pdbfile_id is None: return """No file was provided. The input has to be a dictionary with the key 'pdb_id'""" @@ -297,9 +298,10 @@ def _run(self, **input_args) -> str: try: pdbfile = self.path_registry.get_mapped_path(pdbfile_id) if "/" in pdbfile: - pdbfile_name = pdbfile.split("/")[-1] - name = pdbfile_name.split("_")[0] - end = pdbfile_name.split(".")[1] + pdbfile = pdbfile.split("/")[-1] + + name = pdbfile.split("_")[0] + end = pdbfile.split(".")[1] except Exception as e: print(f"error retrieving from path_registry, trying to read file {e}") diff --git a/mdagent/tools/base_tools/simulation_tools/setup_and_run.py b/mdagent/tools/base_tools/simulation_tools/setup_and_run.py index b4c929b0..62176806 100644 --- a/mdagent/tools/base_tools/simulation_tools/setup_and_run.py +++ b/mdagent/tools/base_tools/simulation_tools/setup_and_run.py @@ -639,12 +639,12 @@ def __init__( self, input_params: SetUpandRunFunctionInput, path_registry: PathRegistry, - final: bool, + save: bool, sim_id: str, pdb_id: str, ): self.params = input_params - self.final = final + self.save = save self.sim_id = sim_id self.pdb_id = pdb_id self.int_params = self.params.get("integrator_params", None) @@ -736,7 +736,7 @@ def create_simulation(self): self.simulation.context.setPositions(self.pdb.positions) # TEMPORARY FILE MANAGEMENT OR PATH REGISTRY MAPPING - if self.final: + if self.save: trajectory_name = self.path_registry.write_file_name( type=FileType.RECORD, record_type="TRAJ", @@ -1066,7 +1066,7 @@ def run(self): self.simulation.currentStep = 0 self.simulation.step(self.sim_params["Number of Steps"]) print("Done!") - if not self.final: + if not self.save: if os.path.exists("temp_trajectory.dcd"): os.remove("temp_trajectory.dcd") if os.path.exists("temp_log.txt"): @@ -1110,12 +1110,12 @@ def _run(self, **input_args): print("whoops no pdb_id found in input,", input) return "No pdb_id found in input" try: - final = input["final"] # either this simulation - # the final one or not for this system + save = input["save"] # either this simulation + # to save or not the output files from this simulation except KeyError: - final = False + save = True print( - "No 'final' key found in input, setting to False. " + "No 'save' key found in input, setting to True. " "Record files will be deleted after script is written." ) try: @@ -1131,7 +1131,7 @@ def _run(self, **input_args): return f"An exception was found trying to write the filenames: {str(e)}." try: Simulation = OpenMMSimulation( - input, self.path_registry, final, sim_id, pdb_id + input, self.path_registry, save, sim_id, pdb_id ) print("simulation set!") except ValueError as e: @@ -1159,7 +1159,7 @@ def _run(self, **input_args): f"files/simulations/{file_name}", f"Basic Simulation of Protein {pdb_id}", ) - if final: + if save: records = Simulation.registry_records # move record files to files/records/ print(os.listdir(".")) @@ -1603,9 +1603,9 @@ def check_system_params(cls, values): if file not in FORCEFIELD_LIST: error_msg += "The forcefield file is not present" - final = values.get("final", False) - if type(final) != bool: - error_msg += "final must be a boolean value" + save = values.get("final", False) + if type(save) != bool: + error_msg += "save must be a boolean value" if error_msg != "": return { @@ -1615,7 +1615,7 @@ def check_system_params(cls, values): values = { "pdb_id": pdb_id, "forcefield_files": forcefield_files, - "final": final, + "save": save, "system_params": system_params, "integrator_params": integrator_params, "simmulation_params": simmulation_params,