From b39a0c562009240dd3707999c6ccad18e8626b90 Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Thu, 25 Sep 2025 11:57:54 +0200 Subject: [PATCH 001/101] force download of cns linux binary if `arch!="x86_64-linux"` --- setup.py | 10 ++++++++++ src/haddock/core/defaults.py | 1 + 2 files changed, 11 insertions(+) diff --git a/setup.py b/setup.py index b08944e650..6c10f25710 100644 --- a/setup.py +++ b/setup.py @@ -131,6 +131,16 @@ def download_binaries(self): print(msg) sys.exit(1) + if arch != "x86_64-linux" and filename.name == "cns": + # Force the download of the linux binary, this is needed for GRID executions + download_path = Path(target_bin_dir, "cns_linux") + status, msg = self.download_file( + binary_dict["x86_64-linux"], download_path + ) + if not status: + print(msg) + sys.exit(1) + if "".join(filename.suffixes) == ".tar.gz": try: with tarfile.open(download_path, "r:gz") as tar: diff --git a/src/haddock/core/defaults.py b/src/haddock/core/defaults.py index 8c71ff8625..efc3e2c090 100644 --- a/src/haddock/core/defaults.py +++ b/src/haddock/core/defaults.py @@ -23,6 +23,7 @@ sys.exit(1) else: cns_exec = Path(_cns_exec) + cns_exec_linux = cns_exec.with_name(cns_exec.name + "_linux") CONTACT_FCC_EXEC = Path(files("haddock").joinpath("bin/contact_fcc")) # type: ignore FAST_RMSDMATRIX_EXEC = Path(files("haddock").joinpath("bin/fast-rmsdmatrix")) # type: ignore From 8ce853d7942390c996d4bbac4de3892624d493dd Mon Sep 17 00:00:00 2001 From: VGPReys Date: Mon, 6 Oct 2025 11:25:44 +0200 Subject: [PATCH 002/101] adding ligand topology and parameter as parameter in alascan module --- src/haddock/clis/cli_score.py | 31 +++-- .../modules/analysis/alascan/__init__.py | 4 +- .../modules/analysis/alascan/defaults.yaml | 19 ++- src/haddock/modules/analysis/alascan/scan.py | 121 ++++++++++++++---- 4 files changed, 135 insertions(+), 40 deletions(-) diff --git a/src/haddock/clis/cli_score.py b/src/haddock/clis/cli_score.py index 5abb0a1e57..139d744466 100644 --- a/src/haddock/clis/cli_score.py +++ b/src/haddock/clis/cli_score.py @@ -26,6 +26,7 @@ Callable, FilePath, Namespace, + Optional, ) from haddock.libs.libcli import _ParamsToDict @@ -168,23 +169,29 @@ def main( ems_dict = default_emscoring.copy() n_warnings = 0 for param, value in kwargs.items(): + # Check if the parameter name is in the emscoring module ones if param not in default_emscoring: sys.exit( f"* ERROR * Parameter {param!r} is not a " f"valid `emscoring` parameter.{os.linesep}" - f"Valid emscoring parameters are: {', '.join(sorted(default_emscoring))}" + "Valid emscoring parameters are: " + f"{', '.join(sorted(default_emscoring))}" ) + # Compare the user-given value to the default one if value != default_emscoring[param]: print( - f"* ATTENTION * Value ({value}) of parameter {param} different from default ({default_emscoring[param]})" - ) # noqa:E501 + f"* ATTENTION * Value ({value}) of parameter {param} " + f"different from default ({default_emscoring[param]})" + ) # get the type of default value default_type = type(default_emscoring[param]) - # convert the value to the same type + # cast the value to the same type if default_type == bool: if value.lower() not in ["true", "false"]: sys.exit(f"* ERROR * Boolean parameter {param} should be True or False") value = value.lower() == "true" + elif param.endswith("_fname"): + value = Path(value).resolve() else: value = default_type(value) ems_dict[param] = value @@ -210,9 +217,14 @@ def main( # create a copy of the input pdb input_pdb_copy = Path(tmp.name) shutil.copy(input_pdb, input_pdb_copy) - - params = { - "topoaa": {"molecules": [input_pdb_copy]}, + + # Setting up a full workflow set of parameters + workflow_params = { + "topoaa": { + "molecules": [input_pdb_copy], + "ligand_param_fname": ems_dict["ligand_param_fname"], + "ligand_top_fname": ems_dict["ligand_top_fname"], + }, "emscoring": ems_dict, } @@ -221,13 +233,13 @@ def main( # run workflow with working_directory(run_dir): workflow = WorkflowManager( - workflow_params=params, + workflow_params=workflow_params, start=0, run_dir=run_dir, ) - workflow.run() + # Build expected pdb filepath minimized_mol = Path(run_dir, "1_emscoring", "emscoring_1.pdb") haddock_score_component_dic = HaddockModel(minimized_mol).energies @@ -237,6 +249,7 @@ def main( air = haddock_score_component_dic["air"] bsa = haddock_score_component_dic["bsa"] + # Compute the haddock score # emscoring is equivalent to itw haddock_score_itw = ( ems_dict["w_vdw"] * vdw diff --git a/src/haddock/modules/analysis/alascan/__init__.py b/src/haddock/modules/analysis/alascan/__init__.py index b0327dfa79..7c73aabb5f 100644 --- a/src/haddock/modules/analysis/alascan/__init__.py +++ b/src/haddock/modules/analysis/alascan/__init__.py @@ -118,7 +118,7 @@ def _run(self): mutation_res=self.params["scan_residue"], model=model, params=self.params, - library_mode = False + library_mode=False, ) for model in models ] @@ -202,4 +202,4 @@ def _run(self): # Send models to the next step, no operation is done on them self.output_models = models - self.export_io_models() \ No newline at end of file + self.export_io_models() diff --git a/src/haddock/modules/analysis/alascan/defaults.yaml b/src/haddock/modules/analysis/alascan/defaults.yaml index 52b520a287..649a7ffc5e 100644 --- a/src/haddock/modules/analysis/alascan/defaults.yaml +++ b/src/haddock/modules/analysis/alascan/defaults.yaml @@ -67,4 +67,21 @@ output_mutants: short: Dump the mutated, energy-minimized PDB files. long: Dump the mutated, energy-minimized PDB files. As the number of mutants can be very large, this option is allowed only when a single model is provided in input. group: analysis - explevel: easy \ No newline at end of file + explevel: easy +ligand_param_fname: + default: '' + type: file + title: Custom ligand parameter file + short: Ligand parameter file in CNS format + long: Ligand parameter file in CNS format, for any ligand/residues/molecules not supported by default by HADDOCK. + group: 'force field' + explevel: easy +ligand_top_fname: + default: '' + type: file + title: Custom ligand topology file + short: Ligand topology file in CNS format + long: Ligand topology file in CNS format containing the ligand topologies + (atoms, masses, charges, bond definitions...) for any ligand not supported by default by HADDOCK + group: 'force field' + explevel: easy diff --git a/src/haddock/modules/analysis/alascan/scan.py b/src/haddock/modules/analysis/alascan/scan.py index 5089dd6167..dc7ae060f8 100644 --- a/src/haddock/modules/analysis/alascan/scan.py +++ b/src/haddock/modules/analysis/alascan/scan.py @@ -108,10 +108,10 @@ def mutate(pdb_f, target_chain, target_resid, mut_resname): Path to the mutated pdb file. """ mut_pdb_l = [] - resname = '' - with open(pdb_f, 'r') as fh: + resname = "" + with open(pdb_f, "r") as fh: for line in fh.readlines(): - if line.startswith('ATOM'): + if line.startswith("ATOM"): chain = line[21] resid = int(line[22:26]) atom_name = line[12:16].strip() @@ -125,44 +125,65 @@ def mutate(pdb_f, target_chain, target_resid, mut_resname): else: mut_pdb_l.append(line) try: - mut_id = f'{RES_CODES[resname]}{target_resid}{RES_CODES[mut_resname]}' + mut_id = f"{RES_CODES[resname]}{target_resid}{RES_CODES[mut_resname]}" except KeyError: raise KeyError(f"Could not mutate {resname} into {mut_resname}.") mut_pdb_fname = Path( - pdb_f.name.replace('.pdb', f'-{target_chain}_{mut_id}.pdb')) - with open(mut_pdb_fname, 'w') as fh: - fh.write(''.join(mut_pdb_l)) + pdb_f.name.replace(".pdb", f"-{target_chain}_{mut_id}.pdb")) + with open(mut_pdb_fname, "w") as fh: + fh.write("".join(mut_pdb_l)) return mut_pdb_fname -def get_score_string(pdb_f, run_dir, outputpdb=False): +def get_score_string( + pdb_f: str, + run_dir: str, + outputpdb: bool = False, + ligand_param_fname: Union[Path, str] = "", + ligand_top_fname: Union[Path, str] = "", + ) -> List[str]: """Get score output from cli_score.main. Parameters ---------- pdb_f : str Path to the pdb file. - run_dir : str Path to the run directory. - outputpdb : bool, optional If True, the output, energy-minimized pdb file will be written. Default is False. + ligand_param_fname : Union[Path, str] + Path to additional parameter file used by CNS. + ligand_top_fname : Union[Path, str] + Path to additional topology file used by CNS. Returns ------- - out : list + out : list[str] List of strings with the score output. """ - f = io.StringIO() - with redirect_stdout(f): - cli_score.main(pdb_f, run_dir, full=True, outputpdb=outputpdb) - out = f.getvalue().split(os.linesep) + stdout = io.StringIO() + with redirect_stdout(stdout): + cli_score.main( + pdb_f, + run_dir, + full=True, + outputpdb=outputpdb, + ligand_param_fname=ligand_param_fname, + ligand_top_fname=ligand_top_fname, + ) + out = stdout.getvalue().split(os.linesep) return out -def calc_score(pdb_f, run_dir, outputpdb=False): +def calc_score( + pdb_f: str, + run_dir: str, + outputpdb: bool = False, + ligand_param_fname: Union[Path, str] = "", + ligand_top_fname: Union[Path, str] = "", + ) -> Tuple[float, float, float, float, float]: """Calculate the score of a model. Parameters @@ -174,9 +195,15 @@ def calc_score(pdb_f, run_dir, outputpdb=False): outputpdb : bool, optional If True, the output, energy-minimized pdb file will be written. Default is False. - + ligand_param_fname : Union[Path, str] + Path to additional parameter file used by CNS + ligand_top_fname : Union[Path, str] + Path to additional topology file used by CNS + Returns ------- + Tuple[float, float, float, float, float] + All the scores score : float Haddock score. vdw : float @@ -186,11 +213,21 @@ def calc_score(pdb_f, run_dir, outputpdb=False): desolv : float Desolvation energy. bsa : float - Buried surface area. - """ - out_string = get_score_string(pdb_f, run_dir, outputpdb=outputpdb) + Buried surface area. - for ln in out_string: + Raises + ------ + FileNotFoundError + Error when the file could not be located. + """ + scores_strings = get_score_string( + pdb_f, run_dir, + outputpdb=outputpdb, + ligand_param_fname=ligand_param_fname, + ligand_top_fname=ligand_top_fname, + ) + # Loop over lines to search for the score and components + for ln in scores_strings: if ln.startswith("> HADDOCK-score (emscoring)"): score = float(ln.split()[-1]) if ln.startswith("> vdw"): @@ -669,6 +706,8 @@ def __init__( self.library_mode = library_mode self.params = params or {} self.point_mutations_jobs = [] + self.ligand_param_fname = self.params.get("ligand_param_fname", "") + self.ligand_top_fname = self.params.get("ligand_top_fname", "") self.filter_resdic = { key[-1]: value for key, value in self.params.items() @@ -696,7 +735,13 @@ def run(self): # Calculate native scores sc_dir = f"haddock3-score-{self.model_id}-{os.getpid()}" try: - native_scores = calc_score(self.model_path, run_dir=sc_dir, outputpdb=False) + native_scores = calc_score( + self.model_path, + run_dir=sc_dir, + outputpdb=False, + ligand_param_fname=self.ligand_param_fname, + ligand_top_fname=self.ligand_top_fname, + ) finally: if os.path.exists(sc_dir): shutil.rmtree(sc_dir) @@ -731,7 +776,11 @@ def run(self): # if (user defined target chains) & (no user target residues) - do use user chains elif user_chains: - interface = {chain: res for chain, res in interface.items() if chain in user_chains} + interface = { + chain: res + for chain, res in interface.items() + if chain in user_chains + } # get all atoms of the model to verifiy residue type down the line resname_dict = {} @@ -757,7 +806,9 @@ def run(self): ori_resname=ori_resname, target_resname=end_resname, native_scores=native_scores, - output_mutants=output_mutants + output_mutants=output_mutants, + ligand_param_fname=self.ligand_param_fname, + ligand_top_fname=self.ligand_top_fname, ) self.point_mutations_jobs.append(job) @@ -804,7 +855,9 @@ def __init__( ori_resname: str, target_resname: str, native_scores: Tuple[float, float, float, float, float], - output_mutants: bool = False + output_mutants: bool = False, + ligand_param_fname: Union[Path, str] = "", + ligand_top_fname: Union[Path, str] = "", ) -> None: """ Initialize a single point mutation job. @@ -827,6 +880,10 @@ def __init__( Native model scores (score, vdw, elec, desolv, bsa) output_mutants : bool Whether to keep mutant PDB files + ligand_param_fname : Union[Path, str] + Path to additional parameter file used by CNS + ligand_top_fname : Union[Path, str] + Path to additional topology file used by CNS """ self.model_path = Path(model_path) self.model_id = model_id @@ -836,7 +893,9 @@ def __init__( self.target_resname = target_resname self.native_scores = native_scores self.output_mutants = output_mutants - + self.ligand_param_fname = ligand_param_fname + self.ligand_top_fname = ligand_top_fname + def run(self): """Execute the point mutation.""" mutation_id = f"{self.model_id}_{self.chain}{self.resid}{self.target_resname}" @@ -846,11 +905,17 @@ def run(self): sc_dir = f"haddock3-score-{mutation_id}" os.makedirs(sc_dir, exist_ok=True) - # Perform mutation + # Perform point mutation on pdb file mut_pdb = mutate(self.model_path, self.chain, self.resid, self.target_resname) # Calculate mutant scores - mutant_scores = calc_score(mut_pdb, run_dir=sc_dir, outputpdb=self.output_mutants) + mutant_scores = calc_score( + mut_pdb, + run_dir=sc_dir, + outputpdb=self.output_mutants, + ligand_param_fname=self.ligand_param_fname, + ligand_top_fname=self.ligand_top_fname, + ) # Calculate deltas (native - mutant) n_score, n_vdw, n_elec, n_des, n_bsa = self.native_scores From 74dd2498f3cdd140f90bfdb94cde269545c859f8 Mon Sep 17 00:00:00 2001 From: VGPReys Date: Mon, 6 Oct 2025 11:26:16 +0200 Subject: [PATCH 003/101] adding integration tests for alascan module in presence of non-standard ligand --- integration_tests/test_alascan.py | 73 +++++++++++++++++++++++++++++++ 1 file changed, 73 insertions(+) diff --git a/integration_tests/test_alascan.py b/integration_tests/test_alascan.py index 82bb05ff46..71e8b36479 100644 --- a/integration_tests/test_alascan.py +++ b/integration_tests/test_alascan.py @@ -27,6 +27,23 @@ def alascan_module(): yield alascan +@pytest.fixture +def alascan_module_protlig(alascan_module): + """Return a default alascan module.""" + # Copy parameters and toplogy of the ligand + shutil.copy( + Path(GOLDEN_DATA, "ligand.top"), + Path(alascan_module.path, "ligand.top"), + ) + shutil.copy( + Path(GOLDEN_DATA, "ligand.param"), + Path(alascan_module.path, "ligand.param"), + ) + # Set the parameters to point the file + alascan_module.params["ligand_param_fname"] = Path(alascan_module.path, "ligand.param") + alascan_module.params["ligand_top_fname"] = Path(alascan_module.path, "ligand.top") + yield alascan_module + class MockPreviousIO: def __init__(self, path): self.path = path @@ -70,6 +87,24 @@ def output(self): return None +class MockPreviousIO_protlig: + def __init__(self, path): + self.path = path + + def retrieve_models(self, individualize: bool = False): + shutil.copy( + Path(GOLDEN_DATA, "protlig_complex_1.pdb"), + Path(self.path, "protlig_complex_1.pdb"), + ) + model_list = [ + PDBFile(file_name="protlig_complex_1.pdb", path=self.path), + ] + + return model_list + + def output(self): + return None + def test_alascan_default(alascan_module, mocker): """Test the alascan module.""" alascan_module.previous_io = MockPreviousIO(path=alascan_module.path) @@ -148,3 +183,41 @@ def test_alascan_mutation_resiudes(): config_allowed_resiudes = set(default_config["scan_residue"]["choices"]) script_allowed_resiudes = set(list(RES_CODES.keys())) assert config_allowed_resiudes == script_allowed_resiudes + + +def test_alascan_with_ligand_topar(alascan_module_protlig): + """Test the use of alascan in presence of a ligand.""" + alascan_module_protlig.previous_io = MockPreviousIO_protlig(path=alascan_module_protlig.path) + alascan_module_protlig.run() + + expected_csv = Path(alascan_module_protlig.path, "scan_protlig_complex_1.tsv") + expected_clt_csv = Path(alascan_module_protlig.path, "scan_clt_unclustered.tsv") + + assert expected_csv.exists(), f"{expected_csv} does not exist" + assert expected_clt_csv.exists(), f"{expected_clt_csv} does not exist" + + # List mutated files + mutated_filepaths = list(Path(alascan_module_protlig.path).glob("protlig_complex_1-*.pdb")) + assert len(mutated_filepaths) > 1 + + # Loop over files + for mutated_fpath in mutated_filepaths: + # Make sure the ligand is in it + file_content = mutated_fpath.read_text() + assert file_content.count("G39") > 20 + + +def test_alascan_without_ligand_topar(alascan_module): + """Test the use of alascan in presence of a ligand.""" + alascan_module.previous_io = MockPreviousIO_protlig(path=alascan_module.path) + alascan_module.run() + + expected_csv = Path(alascan_module.path, "scan_protlig_complex_1.tsv") + expected_clt_csv = Path(alascan_module.path, "scan_clt_unclustered.tsv") + + assert not expected_csv.exists(), f"{expected_csv} does exist" + assert not expected_clt_csv.exists(), f"{expected_clt_csv} does exist" + + # List mutated files + mutated_filepaths = list(Path(alascan_module.path).glob("protlig_complex_1-*.pdb")) + assert len(mutated_filepaths) == 0 From 92c1d6ea8c8d783ac9aa59c08025ce7bd92b2461 Mon Sep 17 00:00:00 2001 From: VGPReys Date: Mon, 6 Oct 2025 11:35:41 +0200 Subject: [PATCH 004/101] update changelog --- CHANGELOG.md | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 369d54a08f..f2e7d87e01 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,5 +1,6 @@ # Changelog +- 2025-10-06: Added possibility to use alascan with ligands - Issue #1411 - 2025-09-11: Added `grid` mode - 2025-09-11: Corrected antibody-antigen notebook - Issue #1383 - 2025-09-09: Removes undesired directory created when running the uni-tests - Issue #1380 From 686ed4e3947b16fc79774cc736c0a561ee0403ea Mon Sep 17 00:00:00 2001 From: VGPReys Date: Mon, 6 Oct 2025 12:01:27 +0200 Subject: [PATCH 005/101] adding golden data file used in integration test --- .../golden_data/protlig_complex_1.pdb | 5950 +++++++++++++++++ 1 file changed, 5950 insertions(+) create mode 100644 integration_tests/golden_data/protlig_complex_1.pdb diff --git a/integration_tests/golden_data/protlig_complex_1.pdb b/integration_tests/golden_data/protlig_complex_1.pdb new file mode 100644 index 0000000000..fd1606c896 --- /dev/null +++ b/integration_tests/golden_data/protlig_complex_1.pdb @@ -0,0 +1,5950 @@ +REMARK FILENAME="rigidbody_1.pdb" +REMARK =============================================================== +REMARK HADDOCK run for /Users/rodrigo/repos/haddock3/examples/docking-protein-ligand/run1/01_rigidbody/rigidbody_1.pdb +REMARK initial structure: /Users/rodrigo/repos/haddock3/examples/docking-protein-ligand/run1/00_topoaa/neuraminidase-2BAT_haddock.pdb +REMARK initial structure: /Users/rodrigo/repos/haddock3/examples/docking-protein-ligand/run1/00_topoaa/oseltamivir_zwitterion_haddock.pdb +REMARK =============================================================== +REMARK total,bonds,angles,improper,dihe,vdw,elec,air,cdih,coup,rdcs,vean,dani,xpcs,rg +REMARK energies: -17.7016, 0, 0, 0, 0, -25.3743, -11.4322, 19.105, 0, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK bonds,angles,impropers,dihe,air,cdih,coup,rdcs,vean,dani,xpcs +REMARK rms-dev.: 0,0,0,0,0.233636,0,0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK air,cdih,coup,rdcs,vean,dani,xpcs +REMARK >0.3,>5,>1,>0,>5,>0.2,>0.2 +REMARK violations.: 1, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK CVpartition#,violations,rms +REMARK AIRs cross-validation: 2, 5, 0.498682 +REMARK =============================================================== +REMARK NCS energy: 0 +REMARK =============================================================== +REMARK Symmetry energy: 0 +REMARK =============================================================== +REMARK Membrane restraining energy: 0 +REMARK =============================================================== +REMARK Local cross-correlation: 0.0000 +REMARK =============================================================== +REMARK Desolvation energy: 3.26757 +REMARK Internal energy free molecules: 2342.89 +REMARK Internal energy complex: 2342.89 +REMARK Binding energy: -33.539 +REMARK =============================================================== +REMARK buried surface area: 596.383 +REMARK =============================================================== +REMARK water - chain_1: 0 0 0 +REMARK water - chain_2: 0 0 0 +REMARK =============================================================== +REMARK water - water: 0 0 0 +REMARK =============================================================== +REMARK DATE:30-Dec-2021 12:38:00 created by user: unknown +REMARK VERSION:1.3U +ATOM 1 N VAL A 82 -8.724 -19.785 20.147 1.00 15.00 A N +ATOM 2 HN VAL A 82 -8.397 -20.700 20.023 1.00 15.00 A H +ATOM 3 CA VAL A 82 -8.524 -18.804 19.084 1.00 15.00 A C +ATOM 4 HA VAL A 82 -8.323 -17.855 19.559 1.00 15.00 A H +ATOM 5 CB VAL A 82 -7.302 -19.179 18.207 1.00 15.00 A C +ATOM 6 HB VAL A 82 -7.523 -20.105 17.692 1.00 15.00 A H +ATOM 7 CG1 VAL A 82 -7.040 -18.108 17.165 1.00 15.00 A C +ATOM 8 HG11 VAL A 82 -7.971 -17.828 16.696 1.00 15.00 A H +ATOM 9 HG12 VAL A 82 -6.364 -18.494 16.419 1.00 15.00 A H +ATOM 10 HG13 VAL A 82 -6.600 -17.244 17.640 1.00 15.00 A H +ATOM 11 CG2 VAL A 82 -6.059 -19.401 19.068 1.00 15.00 A C +ATOM 12 HG21 VAL A 82 -5.207 -19.588 18.430 1.00 15.00 A H +ATOM 13 HG22 VAL A 82 -6.213 -20.250 19.717 1.00 15.00 A H +ATOM 14 HG23 VAL A 82 -5.870 -18.520 19.665 1.00 15.00 A H +ATOM 15 C VAL A 82 -9.795 -18.662 18.224 1.00 15.00 A C +ATOM 16 O VAL A 82 -10.472 -19.651 17.944 1.00 15.00 A O +ATOM 17 N GLU A 83 -10.111 -17.426 17.812 1.00 15.00 A N +ATOM 18 HN GLU A 83 -9.519 -16.680 18.047 1.00 15.00 A H +ATOM 19 CA GLU A 83 -11.327 -17.151 17.023 1.00 15.00 A C +ATOM 20 HA GLU A 83 -11.762 -18.097 16.730 1.00 15.00 A H +ATOM 21 CB GLU A 83 -12.322 -16.398 17.919 1.00 15.00 A C +ATOM 22 HB1 GLU A 83 -12.020 -15.361 17.976 1.00 15.00 A H +ATOM 23 HB2 GLU A 83 -12.283 -16.821 18.912 1.00 15.00 A H +ATOM 24 CG GLU A 83 -13.765 -16.442 17.443 1.00 15.00 A C +ATOM 25 HG1 GLU A 83 -13.976 -17.430 17.057 1.00 15.00 A H +ATOM 26 HG2 GLU A 83 -13.895 -15.711 16.656 1.00 15.00 A H +ATOM 27 CD GLU A 83 -14.742 -16.134 18.560 1.00 15.00 A C +ATOM 28 OE1 GLU A 83 -14.659 -15.026 19.136 1.00 15.00 A O +ATOM 29 OE2 GLU A 83 -15.593 -16.998 18.861 1.00 15.00 A O +ATOM 30 C GLU A 83 -11.027 -16.315 15.758 1.00 15.00 A C +ATOM 31 O GLU A 83 -9.998 -15.644 15.687 1.00 15.00 A O +ATOM 32 N TYR A 84 -11.932 -16.365 14.762 1.00 15.00 A N +ATOM 33 HN TYR A 84 -12.725 -16.934 14.867 1.00 15.00 A H +ATOM 34 CA TYR A 84 -11.764 -15.593 13.516 1.00 15.00 A C +ATOM 35 HA TYR A 84 -10.734 -15.681 13.204 1.00 15.00 A H +ATOM 36 CB TYR A 84 -12.674 -16.120 12.389 1.00 15.00 A C +ATOM 37 HB1 TYR A 84 -12.770 -15.349 11.637 1.00 15.00 A H +ATOM 38 HB2 TYR A 84 -13.652 -16.333 12.791 1.00 15.00 A H +ATOM 39 CG TYR A 84 -12.183 -17.377 11.695 1.00 15.00 A C +ATOM 40 CD1 TYR A 84 -10.900 -17.443 11.162 1.00 15.00 A C +ATOM 41 HD1 TYR A 84 -10.239 -16.597 11.275 1.00 15.00 A H +ATOM 42 CD2 TYR A 84 -13.011 -18.487 11.549 1.00 15.00 A C +ATOM 43 HD2 TYR A 84 -14.017 -18.443 11.939 1.00 15.00 A H +ATOM 44 CE1 TYR A 84 -10.453 -18.580 10.512 1.00 15.00 A C +ATOM 45 HE1 TYR A 84 -9.454 -18.607 10.095 1.00 15.00 A H +ATOM 46 CE2 TYR A 84 -12.569 -19.629 10.907 1.00 15.00 A C +ATOM 47 HE2 TYR A 84 -13.221 -20.486 10.822 1.00 15.00 A H +ATOM 48 CZ TYR A 84 -11.287 -19.671 10.391 1.00 15.00 A C +ATOM 49 OH TYR A 84 -10.842 -20.805 9.749 1.00 15.00 A O +ATOM 50 HH TYR A 84 -11.447 -21.034 9.040 1.00 15.00 A H +ATOM 51 C TYR A 84 -12.091 -14.113 13.740 1.00 15.00 A C +ATOM 52 O TYR A 84 -12.987 -13.778 14.518 1.00 15.00 A O +ATOM 53 N ARG A 85 -11.363 -13.226 13.052 1.00 15.00 A N +ATOM 54 HN ARG A 85 -10.651 -13.548 12.460 1.00 15.00 A H +ATOM 55 CA ARG A 85 -11.603 -11.784 13.163 1.00 15.00 A C +ATOM 56 HA ARG A 85 -11.838 -11.563 14.193 1.00 15.00 A H +ATOM 57 CB ARG A 85 -10.365 -10.982 12.739 1.00 15.00 A C +ATOM 58 HB1 ARG A 85 -10.623 -9.934 12.723 1.00 15.00 A H +ATOM 59 HB2 ARG A 85 -10.081 -11.283 11.742 1.00 15.00 A H +ATOM 60 CG ARG A 85 -9.160 -11.159 13.649 1.00 15.00 A C +ATOM 61 HG1 ARG A 85 -8.565 -11.981 13.284 1.00 15.00 A H +ATOM 62 HG2 ARG A 85 -9.502 -11.376 14.649 1.00 15.00 A H +ATOM 63 CD ARG A 85 -8.300 -9.902 13.678 1.00 15.00 A C +ATOM 64 HD1 ARG A 85 -7.714 -9.906 14.584 1.00 15.00 A H +ATOM 65 HD2 ARG A 85 -8.948 -9.041 13.673 1.00 15.00 A H +ATOM 66 NE ARG A 85 -7.400 -9.829 12.527 1.00 15.00 A N +ATOM 67 HE ARG A 85 -7.622 -10.374 11.744 1.00 15.00 A H +ATOM 68 CZ ARG A 85 -6.308 -9.065 12.482 1.00 15.00 A C +ATOM 69 NH1 ARG A 85 -5.958 -8.326 13.527 1.00 15.00 A N +ATOM 70 HH11 ARG A 85 -5.102 -7.733 13.482 1.00 15.00 A H +ATOM 71 HH12 ARG A 85 -6.540 -8.332 14.388 1.00 15.00 A H +ATOM 72 NH2 ARG A 85 -5.554 -9.057 11.393 1.00 15.00 A N +ATOM 73 HH21 ARG A 85 -4.697 -8.469 11.356 1.00 15.00 A H +ATOM 74 HH22 ARG A 85 -5.823 -9.636 10.569 1.00 15.00 A H +ATOM 75 C ARG A 85 -12.782 -11.386 12.282 1.00 15.00 A C +ATOM 76 O ARG A 85 -12.763 -11.619 11.072 1.00 15.00 A O +ATOM 77 N ASN A 86 -13.814 -10.786 12.873 1.00 15.00 A N +ATOM 78 HN ASN A 86 -13.793 -10.619 13.839 1.00 15.00 A H +ATOM 79 CA ASN A 86 -14.982 -10.386 12.090 1.00 15.00 A C +ATOM 80 HA ASN A 86 -14.878 -10.871 11.129 1.00 15.00 A H +ATOM 81 CB ASN A 86 -16.278 -10.901 12.738 1.00 15.00 A C +ATOM 82 HB1 ASN A 86 -16.222 -11.982 12.794 1.00 15.00 A H +ATOM 83 HB2 ASN A 86 -17.112 -10.632 12.112 1.00 15.00 A H +ATOM 84 CG ASN A 86 -16.543 -10.374 14.140 1.00 15.00 A C +ATOM 85 OD1 ASN A 86 -15.995 -9.357 14.561 1.00 15.00 A O +ATOM 86 ND2 ASN A 86 -17.408 -11.071 14.865 1.00 15.00 A N +ATOM 87 HD21 ASN A 86 -17.813 -11.868 14.462 1.00 15.00 A H +ATOM 88 HD22 ASN A 86 -17.615 -10.754 15.768 1.00 15.00 A H +ATOM 89 C ASN A 86 -15.028 -8.874 11.841 1.00 15.00 A C +ATOM 90 O ASN A 86 -15.778 -8.414 10.982 1.00 15.00 A O +ATOM 91 N TRP A 87 -14.207 -8.117 12.584 1.00 15.00 A N +ATOM 92 HN TRP A 87 -13.643 -8.559 13.251 1.00 15.00 A H +ATOM 93 CA TRP A 87 -14.118 -6.652 12.436 1.00 15.00 A C +ATOM 94 HA TRP A 87 -13.477 -6.287 13.221 1.00 15.00 A H +ATOM 95 CB TRP A 87 -13.494 -6.284 11.079 1.00 15.00 A C +ATOM 96 HB1 TRP A 87 -13.477 -5.211 10.986 1.00 15.00 A H +ATOM 97 HB2 TRP A 87 -14.112 -6.695 10.296 1.00 15.00 A H +ATOM 98 CG TRP A 87 -12.098 -6.789 10.858 1.00 15.00 A C +ATOM 99 CD1 TRP A 87 -11.738 -7.917 10.184 1.00 15.00 A C +ATOM 100 HD1 TRP A 87 -12.441 -8.594 9.724 1.00 15.00 A H +ATOM 101 CD2 TRP A 87 -10.878 -6.177 11.301 1.00 15.00 A C +ATOM 102 NE1 TRP A 87 -10.374 -8.043 10.162 1.00 15.00 A N +ATOM 103 HE1 TRP A 87 -9.873 -8.768 9.729 1.00 15.00 A H +ATOM 104 CE2 TRP A 87 -9.823 -6.989 10.852 1.00 15.00 A C +ATOM 105 CE3 TRP A 87 -10.576 -5.025 12.031 1.00 15.00 A C +ATOM 106 HE3 TRP A 87 -11.356 -4.376 12.390 1.00 15.00 A H +ATOM 107 CZ2 TRP A 87 -8.487 -6.686 11.107 1.00 15.00 A C +ATOM 108 HZ2 TRP A 87 -7.677 -7.318 10.755 1.00 15.00 A H +ATOM 109 CZ3 TRP A 87 -9.251 -4.726 12.288 1.00 15.00 A C +ATOM 110 HZ3 TRP A 87 -9.000 -3.847 12.857 1.00 15.00 A H +ATOM 111 CH2 TRP A 87 -8.219 -5.555 11.828 1.00 15.00 A C +ATOM 112 HH2 TRP A 87 -7.199 -5.281 12.046 1.00 15.00 A H +ATOM 113 C TRP A 87 -15.481 -5.946 12.552 1.00 15.00 A C +ATOM 114 O TRP A 87 -15.721 -4.959 11.854 1.00 15.00 A O +ATOM 115 N SER A 88 -16.374 -6.434 13.412 1.00 15.00 A N +ATOM 116 HN SER A 88 -16.162 -7.235 13.935 1.00 15.00 A H +ATOM 117 CA SER A 88 -17.682 -5.796 13.567 1.00 15.00 A C +ATOM 118 HA SER A 88 -17.877 -5.254 12.653 1.00 15.00 A H +ATOM 119 CB SER A 88 -18.795 -6.834 13.753 1.00 15.00 A C +ATOM 120 HB1 SER A 88 -18.918 -7.385 12.832 1.00 15.00 A H +ATOM 121 HB2 SER A 88 -19.717 -6.327 13.992 1.00 15.00 A H +ATOM 122 OG SER A 88 -18.493 -7.745 14.791 1.00 15.00 A O +ATOM 123 HG SER A 88 -19.161 -8.436 14.810 1.00 15.00 A H +ATOM 124 C SER A 88 -17.681 -4.783 14.714 1.00 15.00 A C +ATOM 125 O SER A 88 -18.252 -5.010 15.782 1.00 15.00 A O +ATOM 126 N LYS A 89 -17.016 -3.658 14.462 1.00 15.00 A N +ATOM 127 HN LYS A 89 -16.574 -3.565 13.593 1.00 15.00 A H +ATOM 128 CA LYS A 89 -16.917 -2.557 15.415 1.00 15.00 A C +ATOM 129 HA LYS A 89 -17.783 -2.586 16.060 1.00 15.00 A H +ATOM 130 CB LYS A 89 -15.638 -2.666 16.258 1.00 15.00 A C +ATOM 131 HB1 LYS A 89 -15.364 -1.676 16.590 1.00 15.00 A H +ATOM 132 HB2 LYS A 89 -14.845 -3.055 15.633 1.00 15.00 A H +ATOM 133 CG LYS A 89 -15.756 -3.564 17.485 1.00 15.00 A C +ATOM 134 HG1 LYS A 89 -16.029 -4.558 17.164 1.00 15.00 A H +ATOM 135 HG2 LYS A 89 -16.522 -3.167 18.135 1.00 15.00 A H +ATOM 136 CD LYS A 89 -14.436 -3.628 18.252 1.00 15.00 A C +ATOM 137 HD1 LYS A 89 -14.186 -2.634 18.593 1.00 15.00 A H +ATOM 138 HD2 LYS A 89 -13.666 -3.988 17.588 1.00 15.00 A H +ATOM 139 CE LYS A 89 -14.510 -4.557 19.460 1.00 15.00 A C +ATOM 140 HE1 LYS A 89 -14.909 -5.512 19.145 1.00 15.00 A H +ATOM 141 HE2 LYS A 89 -15.167 -4.120 20.196 1.00 15.00 A H +ATOM 142 NZ LYS A 89 -13.167 -4.774 20.078 1.00 15.00 A N +ATOM 143 HZ1 LYS A 89 -12.518 -5.197 19.383 1.00 15.00 A H +ATOM 144 HZ2 LYS A 89 -13.243 -5.415 20.895 1.00 15.00 A H +ATOM 145 HZ3 LYS A 89 -12.769 -3.868 20.400 1.00 15.00 A H +ATOM 146 C LYS A 89 -16.906 -1.237 14.644 1.00 15.00 A C +ATOM 147 O LYS A 89 -16.370 -1.176 13.537 1.00 15.00 A O +ATOM 148 N PRO A 90 -17.496 -0.163 15.204 1.00 15.00 A N +ATOM 149 CA PRO A 90 -17.538 1.147 14.540 1.00 15.00 A C +ATOM 150 HA PRO A 90 -18.070 1.102 13.599 1.00 15.00 A H +ATOM 151 CB PRO A 90 -18.302 2.041 15.525 1.00 15.00 A C +ATOM 152 HB1 PRO A 90 -19.041 2.620 14.998 1.00 15.00 A H +ATOM 153 HB2 PRO A 90 -17.607 2.697 16.033 1.00 15.00 A H +ATOM 154 CG PRO A 90 -18.966 1.124 16.492 1.00 15.00 A C +ATOM 155 HG1 PRO A 90 -19.969 0.905 16.161 1.00 15.00 A H +ATOM 156 HG2 PRO A 90 -18.986 1.586 17.472 1.00 15.00 A H +ATOM 157 CD PRO A 90 -18.151 -0.136 16.525 1.00 15.00 A C +ATOM 158 HD1 PRO A 90 -18.792 -0.993 16.656 1.00 15.00 A H +ATOM 159 HD2 PRO A 90 -17.417 -0.089 17.319 1.00 15.00 A H +ATOM 160 C PRO A 90 -16.144 1.717 14.313 1.00 15.00 A C +ATOM 161 O PRO A 90 -15.234 1.462 15.094 1.00 15.00 A O +ATOM 162 N GLN A 91 -15.973 2.474 13.232 1.00 15.00 A N +ATOM 163 HN GLN A 91 -16.721 2.606 12.615 1.00 15.00 A H +ATOM 164 CA GLN A 91 -14.688 3.100 12.944 1.00 15.00 A C +ATOM 165 HA GLN A 91 -13.916 2.351 13.047 1.00 15.00 A H +ATOM 166 CB GLN A 91 -14.659 3.664 11.518 1.00 15.00 A C +ATOM 167 HB1 GLN A 91 -15.412 4.432 11.437 1.00 15.00 A H +ATOM 168 HB2 GLN A 91 -14.890 2.867 10.824 1.00 15.00 A H +ATOM 169 CG GLN A 91 -13.317 4.268 11.125 1.00 15.00 A C +ATOM 170 HG1 GLN A 91 -12.574 3.483 11.104 1.00 15.00 A H +ATOM 171 HG2 GLN A 91 -13.040 5.005 11.866 1.00 15.00 A H +ATOM 172 CD GLN A 91 -13.348 4.945 9.769 1.00 15.00 A C +ATOM 173 OE1 GLN A 91 -13.142 4.310 8.737 1.00 15.00 A O +ATOM 174 NE2 GLN A 91 -13.595 6.247 9.771 1.00 15.00 A N +ATOM 175 HE21 GLN A 91 -13.741 6.687 10.632 1.00 15.00 A H +ATOM 176 HE22 GLN A 91 -13.623 6.715 8.910 1.00 15.00 A H +ATOM 177 C GLN A 91 -14.433 4.213 13.954 1.00 15.00 A C +ATOM 178 O GLN A 91 -15.282 5.088 14.142 1.00 15.00 A O +ATOM 179 N CYS A 92 -13.271 4.167 14.611 1.00 15.00 A N +ATOM 180 HN CYS A 92 -12.644 3.437 14.419 1.00 15.00 A H +ATOM 181 CA CYS A 92 -12.912 5.170 15.611 1.00 15.00 A C +ATOM 182 HA CYS A 92 -13.618 5.097 16.423 1.00 15.00 A H +ATOM 183 HB1 CYS A 92 -11.257 5.688 16.878 1.00 15.00 A H +ATOM 184 HB2 CYS A 92 -10.791 4.959 15.347 1.00 15.00 A H +ATOM 185 C CYS A 92 -12.971 6.580 15.038 1.00 15.00 A C +ATOM 186 O CYS A 92 -12.404 6.851 13.977 1.00 15.00 A O +ATOM 187 CB CYS A 92 -11.500 4.914 16.159 1.00 15.00 A C +ATOM 188 SG CYS A 92 -11.285 3.307 16.991 1.00 15.00 A S +ATOM 189 N GLN A 93 -13.692 7.468 15.731 1.00 15.00 A N +ATOM 190 HN GLN A 93 -14.169 7.172 16.534 1.00 15.00 A H +ATOM 191 CA GLN A 93 -13.783 8.867 15.322 1.00 15.00 A C +ATOM 192 HA GLN A 93 -14.061 8.904 14.278 1.00 15.00 A H +ATOM 193 CB GLN A 93 -14.808 9.630 16.168 1.00 15.00 A C +ATOM 194 HB1 GLN A 93 -14.491 10.660 16.246 1.00 15.00 A H +ATOM 195 HB2 GLN A 93 -14.829 9.198 17.156 1.00 15.00 A H +ATOM 196 CG GLN A 93 -16.228 9.612 15.620 1.00 15.00 A C +ATOM 197 HG1 GLN A 93 -16.861 10.189 16.281 1.00 15.00 A H +ATOM 198 HG2 GLN A 93 -16.575 8.591 15.594 1.00 15.00 A H +ATOM 199 CD GLN A 93 -16.339 10.195 14.221 1.00 15.00 A C +ATOM 200 OE1 GLN A 93 -15.486 10.968 13.781 1.00 15.00 A O +ATOM 201 NE2 GLN A 93 -17.414 9.844 13.525 1.00 15.00 A N +ATOM 202 HE21 GLN A 93 -18.061 9.241 13.948 1.00 15.00 A H +ATOM 203 HE22 GLN A 93 -17.517 10.205 12.620 1.00 15.00 A H +ATOM 204 C GLN A 93 -12.413 9.499 15.506 1.00 15.00 A C +ATOM 205 O GLN A 93 -11.927 9.593 16.633 1.00 15.00 A O +ATOM 206 N ILE A 94 -11.779 9.923 14.421 1.00 15.00 A N +ATOM 207 HN ILE A 94 -12.212 9.865 13.545 1.00 15.00 A H +ATOM 208 CA ILE A 94 -10.440 10.476 14.539 1.00 15.00 A C +ATOM 209 HA ILE A 94 -10.114 10.271 15.549 1.00 15.00 A H +ATOM 210 CB ILE A 94 -9.447 9.762 13.591 1.00 15.00 A C +ATOM 211 HB ILE A 94 -8.445 10.005 13.913 1.00 15.00 A H +ATOM 212 CG1 ILE A 94 -9.626 10.202 12.138 1.00 15.00 A C +ATOM 213 HG11 ILE A 94 -9.990 11.219 12.112 1.00 15.00 A H +ATOM 214 HG12 ILE A 94 -10.341 9.551 11.653 1.00 15.00 A H +ATOM 215 CG2 ILE A 94 -9.618 8.252 13.703 1.00 15.00 A C +ATOM 216 HG21 ILE A 94 -9.013 7.762 12.953 1.00 15.00 A H +ATOM 217 HG22 ILE A 94 -10.658 7.994 13.552 1.00 15.00 A H +ATOM 218 HG23 ILE A 94 -9.308 7.927 14.683 1.00 15.00 A H +ATOM 219 CD1 ILE A 94 -8.341 10.148 11.343 1.00 15.00 A C +ATOM 220 HD11 ILE A 94 -7.921 9.152 11.408 1.00 15.00 A H +ATOM 221 HD12 ILE A 94 -7.640 10.860 11.748 1.00 15.00 A H +ATOM 222 HD13 ILE A 94 -8.542 10.384 10.311 1.00 15.00 A H +ATOM 223 C ILE A 94 -10.377 11.990 14.339 1.00 15.00 A C +ATOM 224 O ILE A 94 -11.161 12.583 13.599 1.00 15.00 A O +ATOM 225 N THR A 95 -9.428 12.584 15.055 1.00 15.00 A N +ATOM 226 HN THR A 95 -8.871 12.022 15.633 1.00 15.00 A H +ATOM 227 CA THR A 95 -9.159 14.012 15.026 1.00 15.00 A C +ATOM 228 HA THR A 95 -10.041 14.527 14.675 1.00 15.00 A H +ATOM 229 CB THR A 95 -8.816 14.511 16.453 1.00 15.00 A C +ATOM 230 HB THR A 95 -8.030 13.884 16.857 1.00 15.00 A H +ATOM 231 OG1 THR A 95 -9.966 14.397 17.299 1.00 15.00 A O +ATOM 232 HG1 THR A 95 -10.432 13.583 17.097 1.00 15.00 A H +ATOM 233 CG2 THR A 95 -8.331 15.953 16.449 1.00 15.00 A C +ATOM 234 HG21 THR A 95 -7.397 16.019 16.988 1.00 15.00 A H +ATOM 235 HG22 THR A 95 -9.068 16.582 16.926 1.00 15.00 A H +ATOM 236 HG23 THR A 95 -8.185 16.277 15.430 1.00 15.00 A H +ATOM 237 C THR A 95 -7.993 14.279 14.077 1.00 15.00 A C +ATOM 238 O THR A 95 -7.818 15.381 13.555 1.00 15.00 A O +ATOM 239 N GLY A 96 -7.222 13.224 13.834 1.00 15.00 A N +ATOM 240 HN GLY A 96 -7.450 12.365 14.250 1.00 15.00 A H +ATOM 241 CA GLY A 96 -6.069 13.305 12.964 1.00 15.00 A C +ATOM 242 HA1 GLY A 96 -5.498 14.183 13.215 1.00 15.00 A H +ATOM 243 HA2 GLY A 96 -6.406 13.380 11.939 1.00 15.00 A H +ATOM 244 C GLY A 96 -5.186 12.087 13.105 1.00 15.00 A C +ATOM 245 O GLY A 96 -5.682 10.983 13.332 1.00 15.00 A O +ATOM 246 N PHE A 97 -3.878 12.274 12.971 1.00 15.00 A N +ATOM 247 HN PHE A 97 -3.532 13.174 12.784 1.00 15.00 A H +ATOM 248 CA PHE A 97 -2.952 11.157 13.098 1.00 15.00 A C +ATOM 249 HA PHE A 97 -3.486 10.351 13.574 1.00 15.00 A H +ATOM 250 CB PHE A 97 -2.470 10.676 11.730 1.00 15.00 A C +ATOM 251 HB1 PHE A 97 -1.770 9.868 11.872 1.00 15.00 A H +ATOM 252 HB2 PHE A 97 -1.977 11.487 11.218 1.00 15.00 A H +ATOM 253 CG PHE A 97 -3.578 10.175 10.851 1.00 15.00 A C +ATOM 254 CD1 PHE A 97 -3.981 8.850 10.903 1.00 15.00 A C +ATOM 255 HD1 PHE A 97 -3.498 8.174 11.595 1.00 15.00 A H +ATOM 256 CD2 PHE A 97 -4.216 11.032 9.967 1.00 15.00 A C +ATOM 257 HD2 PHE A 97 -3.904 12.066 9.916 1.00 15.00 A H +ATOM 258 CE1 PHE A 97 -5.002 8.390 10.090 1.00 15.00 A C +ATOM 259 HE1 PHE A 97 -5.303 7.354 10.133 1.00 15.00 A H +ATOM 260 CE2 PHE A 97 -5.236 10.578 9.155 1.00 15.00 A C +ATOM 261 HE2 PHE A 97 -5.726 11.257 8.477 1.00 15.00 A H +ATOM 262 CZ PHE A 97 -5.631 9.256 9.218 1.00 15.00 A C +ATOM 263 HZ PHE A 97 -6.430 8.902 8.586 1.00 15.00 A H +ATOM 264 C PHE A 97 -1.761 11.513 13.970 1.00 15.00 A C +ATOM 265 O PHE A 97 -1.220 12.618 13.902 1.00 15.00 A O +ATOM 266 N ALA A 98 -1.370 10.557 14.794 1.00 15.00 A N +ATOM 267 HN ALA A 98 -1.859 9.706 14.794 1.00 15.00 A H +ATOM 268 CA ALA A 98 -0.247 10.717 15.695 1.00 15.00 A C +ATOM 269 HA ALA A 98 0.073 11.747 15.658 1.00 15.00 A H +ATOM 270 CB ALA A 98 -0.671 10.394 17.118 1.00 15.00 A C +ATOM 271 HB1 ALA A 98 -1.087 9.399 17.151 1.00 15.00 A H +ATOM 272 HB2 ALA A 98 -1.414 11.107 17.440 1.00 15.00 A H +ATOM 273 HB3 ALA A 98 0.187 10.447 17.770 1.00 15.00 A H +ATOM 274 C ALA A 98 0.901 9.814 15.266 1.00 15.00 A C +ATOM 275 O ALA A 98 0.680 8.789 14.621 1.00 15.00 A O +ATOM 276 N PRO A 99 2.146 10.182 15.612 1.00 15.00 A N +ATOM 277 CA PRO A 99 3.325 9.385 15.259 1.00 15.00 A C +ATOM 278 HA PRO A 99 3.414 9.272 14.187 1.00 15.00 A H +ATOM 279 CB PRO A 99 4.502 10.207 15.798 1.00 15.00 A C +ATOM 280 HB1 PRO A 99 5.280 10.258 15.055 1.00 15.00 A H +ATOM 281 HB2 PRO A 99 4.880 9.756 16.706 1.00 15.00 A H +ATOM 282 CG PRO A 99 3.958 11.570 16.062 1.00 15.00 A C +ATOM 283 HG1 PRO A 99 4.073 12.187 15.183 1.00 15.00 A H +ATOM 284 HG2 PRO A 99 4.473 12.013 16.904 1.00 15.00 A H +ATOM 285 CD PRO A 99 2.505 11.391 16.374 1.00 15.00 A C +ATOM 286 HD1 PRO A 99 1.936 12.242 16.031 1.00 15.00 A H +ATOM 287 HD2 PRO A 99 2.362 11.238 17.434 1.00 15.00 A H +ATOM 288 C PRO A 99 3.265 8.008 15.905 1.00 15.00 A C +ATOM 289 O PRO A 99 2.922 7.882 17.083 1.00 15.00 A O +ATOM 290 N PHE A 100 3.603 6.979 15.136 1.00 15.00 A N +ATOM 291 HN PHE A 100 3.923 7.144 14.225 1.00 15.00 A H +ATOM 292 CA PHE A 100 3.538 5.613 15.640 1.00 15.00 A C +ATOM 293 HA PHE A 100 3.236 5.669 16.673 1.00 15.00 A H +ATOM 294 CB PHE A 100 2.475 4.826 14.867 1.00 15.00 A C +ATOM 295 HB1 PHE A 100 2.830 4.651 13.868 1.00 15.00 A H +ATOM 296 HB2 PHE A 100 1.574 5.413 14.824 1.00 15.00 A H +ATOM 297 CG PHE A 100 2.114 3.492 15.460 1.00 15.00 A C +ATOM 298 CD1 PHE A 100 2.004 3.322 16.835 1.00 15.00 A C +ATOM 299 HD1 PHE A 100 2.210 4.152 17.487 1.00 15.00 A H +ATOM 300 CD2 PHE A 100 1.864 2.408 14.631 1.00 15.00 A C +ATOM 301 HD2 PHE A 100 1.965 2.523 13.562 1.00 15.00 A H +ATOM 302 CE1 PHE A 100 1.651 2.097 17.368 1.00 15.00 A C +ATOM 303 HE1 PHE A 100 1.586 1.970 18.442 1.00 15.00 A H +ATOM 304 CE2 PHE A 100 1.519 1.183 15.160 1.00 15.00 A C +ATOM 305 HE2 PHE A 100 1.346 0.344 14.505 1.00 15.00 A H +ATOM 306 CZ PHE A 100 1.405 1.024 16.531 1.00 15.00 A C +ATOM 307 HZ PHE A 100 1.142 0.064 16.946 1.00 15.00 A H +ATOM 308 C PHE A 100 4.893 4.898 15.574 1.00 15.00 A C +ATOM 309 O PHE A 100 5.327 4.318 16.576 1.00 15.00 A O +ATOM 310 N SER A 101 5.571 4.937 14.419 1.00 15.00 A N +ATOM 311 HN SER A 101 5.200 5.423 13.647 1.00 15.00 A H +ATOM 312 CA SER A 101 6.864 4.249 14.301 1.00 15.00 A C +ATOM 313 HA SER A 101 7.385 4.393 15.232 1.00 15.00 A H +ATOM 314 CB SER A 101 6.638 2.741 14.107 1.00 15.00 A C +ATOM 315 HB1 SER A 101 6.327 2.551 13.089 1.00 15.00 A H +ATOM 316 HB2 SER A 101 5.868 2.405 14.784 1.00 15.00 A H +ATOM 317 OG SER A 101 7.823 2.005 14.369 1.00 15.00 A O +ATOM 318 HG SER A 101 7.798 1.178 13.881 1.00 15.00 A H +ATOM 319 C SER A 101 7.756 4.787 13.169 1.00 15.00 A C +ATOM 320 O SER A 101 7.318 5.548 12.308 1.00 15.00 A O +ATOM 321 N LYS A 102 9.025 4.355 13.207 1.00 15.00 A N +ATOM 322 HN LYS A 102 9.285 3.760 13.940 1.00 15.00 A H +ATOM 323 CA LYS A 102 10.055 4.722 12.230 1.00 15.00 A C +ATOM 324 HA LYS A 102 9.639 4.623 11.238 1.00 15.00 A H +ATOM 325 CB LYS A 102 10.499 6.171 12.463 1.00 15.00 A C +ATOM 326 HB1 LYS A 102 10.953 6.240 13.440 1.00 15.00 A H +ATOM 327 HB2 LYS A 102 9.630 6.810 12.436 1.00 15.00 A H +ATOM 328 CG LYS A 102 11.494 6.679 11.438 1.00 15.00 A C +ATOM 329 HG1 LYS A 102 11.406 6.081 10.545 1.00 15.00 A H +ATOM 330 HG2 LYS A 102 12.490 6.587 11.845 1.00 15.00 A H +ATOM 331 CD LYS A 102 11.239 8.137 11.088 1.00 15.00 A C +ATOM 332 HD1 LYS A 102 10.700 8.605 11.900 1.00 15.00 A H +ATOM 333 HD2 LYS A 102 10.647 8.181 10.187 1.00 15.00 A H +ATOM 334 CE LYS A 102 12.538 8.888 10.857 1.00 15.00 A C +ATOM 335 HE1 LYS A 102 13.121 8.862 11.766 1.00 15.00 A H +ATOM 336 HE2 LYS A 102 12.308 9.914 10.610 1.00 15.00 A H +ATOM 337 NZ LYS A 102 13.337 8.289 9.751 1.00 15.00 A N +ATOM 338 HZ1 LYS A 102 12.757 8.219 8.890 1.00 15.00 A H +ATOM 339 HZ2 LYS A 102 13.661 7.337 10.017 1.00 15.00 A H +ATOM 340 HZ3 LYS A 102 14.168 8.882 9.549 1.00 15.00 A H +ATOM 341 C LYS A 102 11.234 3.754 12.389 1.00 15.00 A C +ATOM 342 O LYS A 102 11.758 3.599 13.492 1.00 15.00 A O +ATOM 343 N ASP A 103 11.653 3.098 11.303 1.00 15.00 A N +ATOM 344 HN ASP A 103 11.234 3.278 10.434 1.00 15.00 A H +ATOM 345 CA ASP A 103 12.727 2.101 11.400 1.00 15.00 A C +ATOM 346 HA ASP A 103 12.746 1.787 12.434 1.00 15.00 A H +ATOM 347 CB ASP A 103 12.384 0.859 10.554 1.00 15.00 A C +ATOM 348 HB1 ASP A 103 11.417 0.489 10.871 1.00 15.00 A H +ATOM 349 HB2 ASP A 103 13.123 0.096 10.737 1.00 15.00 A H +ATOM 350 CG ASP A 103 12.321 1.111 9.052 1.00 15.00 A C +ATOM 351 OD1 ASP A 103 12.559 2.256 8.610 1.00 15.00 A O +ATOM 352 OD2 ASP A 103 12.028 0.147 8.313 1.00 15.00 A O +ATOM 353 C ASP A 103 14.132 2.637 11.070 1.00 15.00 A C +ATOM 354 O ASP A 103 15.121 2.021 11.468 1.00 15.00 A O +ATOM 355 N ASN A 104 14.221 3.769 10.354 1.00 15.00 A N +ATOM 356 HN ASN A 104 13.397 4.204 10.053 1.00 15.00 A H +ATOM 357 CA ASN A 104 15.521 4.376 10.000 1.00 15.00 A C +ATOM 358 HA ASN A 104 15.333 5.194 9.325 1.00 15.00 A H +ATOM 359 CB ASN A 104 16.211 4.923 11.255 1.00 15.00 A C +ATOM 360 HB1 ASN A 104 17.210 5.244 10.998 1.00 15.00 A H +ATOM 361 HB2 ASN A 104 16.274 4.139 11.995 1.00 15.00 A H +ATOM 362 CG ASN A 104 15.471 6.094 11.859 1.00 15.00 A C +ATOM 363 OD1 ASN A 104 14.648 5.929 12.760 1.00 15.00 A O +ATOM 364 ND2 ASN A 104 15.759 7.284 11.356 1.00 15.00 A N +ATOM 365 HD21 ASN A 104 16.420 7.332 10.635 1.00 15.00 A H +ATOM 366 HD22 ASN A 104 15.299 8.066 11.725 1.00 15.00 A H +ATOM 367 C ASN A 104 16.460 3.379 9.315 1.00 15.00 A C +ATOM 368 O ASN A 104 17.650 3.334 9.615 1.00 15.00 A O +ATOM 369 N SER A 105 15.927 2.611 8.377 1.00 15.00 A N +ATOM 370 HN SER A 105 14.978 2.728 8.146 1.00 15.00 A H +ATOM 371 CA SER A 105 16.705 1.590 7.678 1.00 15.00 A C +ATOM 372 HA SER A 105 17.096 0.919 8.430 1.00 15.00 A H +ATOM 373 CB SER A 105 15.793 0.786 6.758 1.00 15.00 A C +ATOM 374 HB1 SER A 105 16.377 0.353 5.964 1.00 15.00 A H +ATOM 375 HB2 SER A 105 15.038 1.436 6.343 1.00 15.00 A H +ATOM 376 OG SER A 105 15.156 -0.252 7.476 1.00 15.00 A O +ATOM 377 HG SER A 105 15.780 -0.638 8.097 1.00 15.00 A H +ATOM 378 C SER A 105 17.882 2.152 6.880 1.00 15.00 A C +ATOM 379 O SER A 105 18.968 1.574 6.902 1.00 15.00 A O +ATOM 380 N ILE A 106 17.681 3.276 6.194 1.00 15.00 A N +ATOM 381 HN ILE A 106 16.812 3.725 6.248 1.00 15.00 A H +ATOM 382 CA ILE A 106 18.742 3.857 5.366 1.00 15.00 A C +ATOM 383 HA ILE A 106 19.154 3.047 4.781 1.00 15.00 A H +ATOM 384 CB ILE A 106 18.185 4.900 4.370 1.00 15.00 A C +ATOM 385 HB ILE A 106 17.799 5.736 4.929 1.00 15.00 A H +ATOM 386 CG1 ILE A 106 17.049 4.280 3.539 1.00 15.00 A C +ATOM 387 HG11 ILE A 106 16.628 5.039 2.896 1.00 15.00 A H +ATOM 388 HG12 ILE A 106 16.284 3.914 4.207 1.00 15.00 A H +ATOM 389 CG2 ILE A 106 19.294 5.409 3.453 1.00 15.00 A C +ATOM 390 HG21 ILE A 106 18.899 6.163 2.787 1.00 15.00 A H +ATOM 391 HG22 ILE A 106 19.686 4.589 2.875 1.00 15.00 A H +ATOM 392 HG23 ILE A 106 20.085 5.839 4.051 1.00 15.00 A H +ATOM 393 CD1 ILE A 106 17.489 3.121 2.669 1.00 15.00 A C +ATOM 394 HD11 ILE A 106 18.075 2.432 3.258 1.00 15.00 A H +ATOM 395 HD12 ILE A 106 18.085 3.492 1.848 1.00 15.00 A H +ATOM 396 HD13 ILE A 106 16.621 2.610 2.280 1.00 15.00 A H +ATOM 397 C ILE A 106 19.892 4.454 6.194 1.00 15.00 A C +ATOM 398 O ILE A 106 21.057 4.269 5.835 1.00 15.00 A O +ATOM 399 N ARG A 107 19.590 5.156 7.294 1.00 15.00 A N +ATOM 400 HN ARG A 107 18.652 5.295 7.539 1.00 15.00 A H +ATOM 401 CA ARG A 107 20.657 5.723 8.136 1.00 15.00 A C +ATOM 402 HA ARG A 107 21.269 6.362 7.514 1.00 15.00 A H +ATOM 403 CB ARG A 107 20.107 6.543 9.315 1.00 15.00 A C +ATOM 404 HB1 ARG A 107 20.938 7.030 9.805 1.00 15.00 A H +ATOM 405 HB2 ARG A 107 19.642 5.869 10.020 1.00 15.00 A H +ATOM 406 CG ARG A 107 19.092 7.609 8.949 1.00 15.00 A C +ATOM 407 HG1 ARG A 107 18.188 7.125 8.607 1.00 15.00 A H +ATOM 408 HG2 ARG A 107 19.496 8.228 8.162 1.00 15.00 A H +ATOM 409 CD ARG A 107 18.760 8.484 10.154 1.00 15.00 A C +ATOM 410 HD1 ARG A 107 18.806 7.870 11.043 1.00 15.00 A H +ATOM 411 HD2 ARG A 107 17.758 8.870 10.036 1.00 15.00 A H +ATOM 412 NE ARG A 107 19.679 9.613 10.314 1.00 15.00 A N +ATOM 413 HE ARG A 107 19.984 10.071 9.499 1.00 15.00 A H +ATOM 414 CZ ARG A 107 20.111 10.063 11.495 1.00 15.00 A C +ATOM 415 NH1 ARG A 107 19.727 9.469 12.624 1.00 15.00 A N +ATOM 416 HH11 ARG A 107 19.087 8.652 12.592 1.00 15.00 A H +ATOM 417 HH12 ARG A 107 20.064 9.824 13.542 1.00 15.00 A H +ATOM 418 NH2 ARG A 107 20.919 11.115 11.549 1.00 15.00 A N +ATOM 419 HH21 ARG A 107 21.215 11.588 10.670 1.00 15.00 A H +ATOM 420 HH22 ARG A 107 21.255 11.468 12.470 1.00 15.00 A H +ATOM 421 C ARG A 107 21.529 4.601 8.701 1.00 15.00 A C +ATOM 422 O ARG A 107 22.755 4.713 8.759 1.00 15.00 A O +ATOM 423 N LEU A 108 20.870 3.516 9.106 1.00 15.00 A N +ATOM 424 HN LEU A 108 19.895 3.501 9.012 1.00 15.00 A H +ATOM 425 CA LEU A 108 21.534 2.348 9.689 1.00 15.00 A C +ATOM 426 HA LEU A 108 22.161 2.684 10.501 1.00 15.00 A H +ATOM 427 CB LEU A 108 20.484 1.387 10.242 1.00 15.00 A C +ATOM 428 HB1 LEU A 108 20.985 0.490 10.573 1.00 15.00 A H +ATOM 429 HB2 LEU A 108 19.810 1.128 9.438 1.00 15.00 A H +ATOM 430 CG LEU A 108 19.648 1.925 11.401 1.00 15.00 A C +ATOM 431 HG LEU A 108 19.269 2.902 11.139 1.00 15.00 A H +ATOM 432 CD1 LEU A 108 18.456 1.016 11.666 1.00 15.00 A C +ATOM 433 HD11 LEU A 108 17.729 1.140 10.875 1.00 15.00 A H +ATOM 434 HD12 LEU A 108 18.004 1.277 12.611 1.00 15.00 A H +ATOM 435 HD13 LEU A 108 18.783 -0.012 11.694 1.00 15.00 A H +ATOM 436 CD2 LEU A 108 20.510 2.078 12.648 1.00 15.00 A C +ATOM 437 HD21 LEU A 108 21.349 2.719 12.429 1.00 15.00 A H +ATOM 438 HD22 LEU A 108 20.869 1.107 12.959 1.00 15.00 A H +ATOM 439 HD23 LEU A 108 19.921 2.513 13.440 1.00 15.00 A H +ATOM 440 C LEU A 108 22.386 1.594 8.675 1.00 15.00 A C +ATOM 441 O LEU A 108 23.373 0.955 9.041 1.00 15.00 A O +ATOM 442 N SER A 109 21.986 1.659 7.408 1.00 15.00 A N +ATOM 443 HN SER A 109 21.195 2.196 7.190 1.00 15.00 A H +ATOM 444 CA SER A 109 22.686 0.958 6.330 1.00 15.00 A C +ATOM 445 HA SER A 109 22.724 -0.089 6.596 1.00 15.00 A H +ATOM 446 CB SER A 109 21.907 1.099 5.021 1.00 15.00 A C +ATOM 447 HB1 SER A 109 22.492 0.685 4.211 1.00 15.00 A H +ATOM 448 HB2 SER A 109 21.720 2.144 4.832 1.00 15.00 A H +ATOM 449 OG SER A 109 20.665 0.421 5.077 1.00 15.00 A O +ATOM 450 HG SER A 109 19.950 1.063 5.112 1.00 15.00 A H +ATOM 451 C SER A 109 24.120 1.461 6.130 1.00 15.00 A C +ATOM 452 O SER A 109 24.966 0.734 5.607 1.00 15.00 A O +ATOM 453 N ALA A 110 24.392 2.696 6.555 1.00 15.00 A N +ATOM 454 HN ALA A 110 23.683 3.223 6.979 1.00 15.00 A H +ATOM 455 CA ALA A 110 25.729 3.277 6.415 1.00 15.00 A C +ATOM 456 HA ALA A 110 26.137 2.939 5.475 1.00 15.00 A H +ATOM 457 CB ALA A 110 25.648 4.799 6.377 1.00 15.00 A C +ATOM 458 HB1 ALA A 110 25.292 5.165 7.328 1.00 15.00 A H +ATOM 459 HB2 ALA A 110 24.966 5.104 5.595 1.00 15.00 A H +ATOM 460 HB3 ALA A 110 26.628 5.209 6.179 1.00 15.00 A H +ATOM 461 C ALA A 110 26.653 2.816 7.544 1.00 15.00 A C +ATOM 462 O ALA A 110 27.806 3.240 7.635 1.00 15.00 A O +ATOM 463 N GLY A 111 26.134 1.937 8.395 1.00 15.00 A N +ATOM 464 HN GLY A 111 25.209 1.637 8.265 1.00 15.00 A H +ATOM 465 CA GLY A 111 26.902 1.409 9.509 1.00 15.00 A C +ATOM 466 HA1 GLY A 111 26.914 2.134 10.310 1.00 15.00 A H +ATOM 467 HA2 GLY A 111 27.912 1.222 9.182 1.00 15.00 A H +ATOM 468 C GLY A 111 26.302 0.120 10.021 1.00 15.00 A C +ATOM 469 O GLY A 111 26.119 -0.064 11.226 1.00 15.00 A O +ATOM 470 N GLY A 112 25.997 -0.770 9.087 1.00 15.00 A N +ATOM 471 HN GLY A 112 26.184 -0.558 8.151 1.00 15.00 A H +ATOM 472 CA GLY A 112 25.400 -2.042 9.423 1.00 15.00 A C +ATOM 473 HA1 GLY A 112 24.585 -1.877 10.112 1.00 15.00 A H +ATOM 474 HA2 GLY A 112 26.144 -2.665 9.901 1.00 15.00 A H +ATOM 475 C GLY A 112 24.870 -2.754 8.194 1.00 15.00 A C +ATOM 476 O GLY A 112 24.684 -2.136 7.144 1.00 15.00 A O +ATOM 477 N ASP A 113 24.622 -4.051 8.323 1.00 15.00 A N +ATOM 478 HN ASP A 113 24.780 -4.483 9.188 1.00 15.00 A H +ATOM 479 CA ASP A 113 24.118 -4.853 7.210 1.00 15.00 A C +ATOM 480 HA ASP A 113 24.516 -4.434 6.295 1.00 15.00 A H +ATOM 481 CB ASP A 113 24.613 -6.295 7.352 1.00 15.00 A C +ATOM 482 HB1 ASP A 113 24.377 -6.842 6.453 1.00 15.00 A H +ATOM 483 HB2 ASP A 113 24.116 -6.756 8.194 1.00 15.00 A H +ATOM 484 CG ASP A 113 26.114 -6.371 7.583 1.00 15.00 A C +ATOM 485 OD1 ASP A 113 26.872 -5.794 6.775 1.00 15.00 A O +ATOM 486 OD2 ASP A 113 26.528 -7.008 8.574 1.00 15.00 A O +ATOM 487 C ASP A 113 22.590 -4.811 7.144 1.00 15.00 A C +ATOM 488 O ASP A 113 21.911 -5.603 7.798 1.00 15.00 A O +ATOM 489 N ILE A 114 22.054 -3.887 6.343 1.00 15.00 A N +ATOM 490 HN ILE A 114 22.646 -3.292 5.837 1.00 15.00 A H +ATOM 491 CA ILE A 114 20.602 -3.735 6.213 1.00 15.00 A C +ATOM 492 HA ILE A 114 20.143 -4.400 6.930 1.00 15.00 A H +ATOM 493 CB ILE A 114 20.157 -2.290 6.545 1.00 15.00 A C +ATOM 494 HB ILE A 114 20.651 -1.614 5.862 1.00 15.00 A H +ATOM 495 CG1 ILE A 114 20.561 -1.938 7.977 1.00 15.00 A C +ATOM 496 HG11 ILE A 114 20.392 -0.884 8.142 1.00 15.00 A H +ATOM 497 HG12 ILE A 114 21.611 -2.154 8.111 1.00 15.00 A H +ATOM 498 CG2 ILE A 114 18.651 -2.120 6.374 1.00 15.00 A C +ATOM 499 HG21 ILE A 114 18.335 -1.212 6.866 1.00 15.00 A H +ATOM 500 HG22 ILE A 114 18.143 -2.964 6.818 1.00 15.00 A H +ATOM 501 HG23 ILE A 114 18.409 -2.065 5.324 1.00 15.00 A H +ATOM 502 CD1 ILE A 114 19.789 -2.708 9.029 1.00 15.00 A C +ATOM 503 HD11 ILE A 114 20.005 -2.305 10.005 1.00 15.00 A H +ATOM 504 HD12 ILE A 114 20.080 -3.750 8.998 1.00 15.00 A H +ATOM 505 HD13 ILE A 114 18.729 -2.628 8.830 1.00 15.00 A H +ATOM 506 C ILE A 114 20.112 -4.121 4.815 1.00 15.00 A C +ATOM 507 O ILE A 114 20.721 -3.763 3.808 1.00 15.00 A O +ATOM 508 N TRP A 115 18.999 -4.855 4.784 1.00 15.00 A N +ATOM 509 HN TRP A 115 18.570 -5.086 5.634 1.00 15.00 A H +ATOM 510 CA TRP A 115 18.382 -5.330 3.540 1.00 15.00 A C +ATOM 511 HA TRP A 115 19.086 -5.968 3.029 1.00 15.00 A H +ATOM 512 CB TRP A 115 17.111 -6.132 3.859 1.00 15.00 A C +ATOM 513 HB1 TRP A 115 16.425 -6.029 3.032 1.00 15.00 A H +ATOM 514 HB2 TRP A 115 16.659 -5.709 4.739 1.00 15.00 A H +ATOM 515 CG TRP A 115 17.305 -7.593 4.112 1.00 15.00 A C +ATOM 516 CD1 TRP A 115 17.540 -8.188 5.315 1.00 15.00 A C +ATOM 517 HD1 TRP A 115 17.632 -7.649 6.245 1.00 15.00 A H +ATOM 518 CD2 TRP A 115 17.239 -8.649 3.147 1.00 15.00 A C +ATOM 519 NE1 TRP A 115 17.643 -9.546 5.162 1.00 15.00 A N +ATOM 520 HE1 TRP A 115 17.815 -10.190 5.879 1.00 15.00 A H +ATOM 521 CE2 TRP A 115 17.467 -9.854 3.835 1.00 15.00 A C +ATOM 522 CE3 TRP A 115 17.029 -8.695 1.765 1.00 15.00 A C +ATOM 523 HE3 TRP A 115 16.863 -7.795 1.201 1.00 15.00 A H +ATOM 524 CZ2 TRP A 115 17.471 -11.093 3.192 1.00 15.00 A C +ATOM 525 HZ2 TRP A 115 17.636 -12.023 3.735 1.00 15.00 A H +ATOM 526 CZ3 TRP A 115 17.034 -9.922 1.126 1.00 15.00 A C +ATOM 527 HZ3 TRP A 115 16.865 -9.977 0.061 1.00 15.00 A H +ATOM 528 CH2 TRP A 115 17.259 -11.108 1.838 1.00 15.00 A C +ATOM 529 HH2 TRP A 115 17.264 -12.041 1.301 1.00 15.00 A H +ATOM 530 C TRP A 115 17.966 -4.185 2.612 1.00 15.00 A C +ATOM 531 O TRP A 115 17.515 -3.133 3.068 1.00 15.00 A O +ATOM 532 N VAL A 116 18.104 -4.413 1.306 1.00 15.00 A N +ATOM 533 HN VAL A 116 18.498 -5.260 1.006 1.00 15.00 A H +ATOM 534 CA VAL A 116 17.669 -3.442 0.306 1.00 15.00 A C +ATOM 535 HA VAL A 116 17.721 -2.457 0.742 1.00 15.00 A H +ATOM 536 CB VAL A 116 18.520 -3.481 -0.983 1.00 15.00 A C +ATOM 537 HB VAL A 116 18.607 -4.511 -1.303 1.00 15.00 A H +ATOM 538 CG1 VAL A 116 17.838 -2.694 -2.093 1.00 15.00 A C +ATOM 539 HG11 VAL A 116 18.470 -2.678 -2.966 1.00 15.00 A H +ATOM 540 HG12 VAL A 116 17.656 -1.684 -1.758 1.00 15.00 A H +ATOM 541 HG13 VAL A 116 16.896 -3.165 -2.338 1.00 15.00 A H +ATOM 542 CG2 VAL A 116 19.914 -2.941 -0.728 1.00 15.00 A C +ATOM 543 HG21 VAL A 116 20.345 -3.440 0.127 1.00 15.00 A H +ATOM 544 HG22 VAL A 116 19.860 -1.879 -0.535 1.00 15.00 A H +ATOM 545 HG23 VAL A 116 20.532 -3.118 -1.597 1.00 15.00 A H +ATOM 546 C VAL A 116 16.227 -3.762 -0.040 1.00 15.00 A C +ATOM 547 O VAL A 116 15.937 -4.854 -0.530 1.00 15.00 A O +ATOM 548 N THR A 117 15.317 -2.835 0.222 1.00 15.00 A N +ATOM 549 HN THR A 117 15.593 -1.969 0.590 1.00 15.00 A H +ATOM 550 CA THR A 117 13.907 -3.107 -0.024 1.00 15.00 A C +ATOM 551 HA THR A 117 13.846 -3.981 -0.649 1.00 15.00 A H +ATOM 552 CB THR A 117 13.180 -3.432 1.298 1.00 15.00 A C +ATOM 553 HB THR A 117 12.169 -3.731 1.070 1.00 15.00 A H +ATOM 554 OG1 THR A 117 13.147 -2.274 2.145 1.00 15.00 A O +ATOM 555 HG1 THR A 117 12.816 -1.523 1.651 1.00 15.00 A H +ATOM 556 CG2 THR A 117 13.866 -4.571 2.038 1.00 15.00 A C +ATOM 557 HG21 THR A 117 14.892 -4.647 1.706 1.00 15.00 A H +ATOM 558 HG22 THR A 117 13.352 -5.498 1.835 1.00 15.00 A H +ATOM 559 HG23 THR A 117 13.847 -4.374 3.099 1.00 15.00 A H +ATOM 560 C THR A 117 13.155 -1.968 -0.703 1.00 15.00 A C +ATOM 561 O THR A 117 13.706 -0.905 -0.992 1.00 15.00 A O +ATOM 562 N ARG A 118 11.870 -2.253 -0.934 1.00 15.00 A N +ATOM 563 HN ARG A 118 11.555 -3.145 -0.683 1.00 15.00 A H +ATOM 564 CA ARG A 118 10.904 -1.339 -1.535 1.00 15.00 A C +ATOM 565 HA ARG A 118 10.906 -0.431 -0.951 1.00 15.00 A H +ATOM 566 CB ARG A 118 11.247 -1.004 -2.990 1.00 15.00 A C +ATOM 567 HB1 ARG A 118 10.347 -1.076 -3.584 1.00 15.00 A H +ATOM 568 HB2 ARG A 118 11.968 -1.722 -3.353 1.00 15.00 A H +ATOM 569 CG ARG A 118 11.828 0.387 -3.172 1.00 15.00 A C +ATOM 570 HG1 ARG A 118 12.900 0.304 -3.295 1.00 15.00 A H +ATOM 571 HG2 ARG A 118 11.608 0.982 -2.297 1.00 15.00 A H +ATOM 572 CD ARG A 118 11.243 1.077 -4.390 1.00 15.00 A C +ATOM 573 HD1 ARG A 118 11.252 0.380 -5.215 1.00 15.00 A H +ATOM 574 HD2 ARG A 118 11.857 1.936 -4.632 1.00 15.00 A H +ATOM 575 NE ARG A 118 9.871 1.525 -4.169 1.00 15.00 A N +ATOM 576 HE ARG A 118 9.599 1.731 -3.247 1.00 15.00 A H +ATOM 577 CZ ARG A 118 8.983 1.692 -5.145 1.00 15.00 A C +ATOM 578 NH1 ARG A 118 9.313 1.408 -6.404 1.00 15.00 A N +ATOM 579 HH11 ARG A 118 8.622 1.542 -7.167 1.00 15.00 A H +ATOM 580 HH12 ARG A 118 10.262 1.051 -6.624 1.00 15.00 A H +ATOM 581 NH2 ARG A 118 7.761 2.110 -4.861 1.00 15.00 A N +ATOM 582 HH21 ARG A 118 7.501 2.322 -3.873 1.00 15.00 A H +ATOM 583 HH22 ARG A 118 7.059 2.232 -5.621 1.00 15.00 A H +ATOM 584 C ARG A 118 9.519 -1.972 -1.437 1.00 15.00 A C +ATOM 585 O ARG A 118 9.409 -3.164 -1.140 1.00 15.00 A O +ATOM 586 N GLU A 119 8.475 -1.182 -1.695 1.00 15.00 A N +ATOM 587 HN GLU A 119 8.641 -0.250 -1.953 1.00 15.00 A H +ATOM 588 CA GLU A 119 7.087 -1.654 -1.598 1.00 15.00 A C +ATOM 589 HA GLU A 119 6.440 -0.802 -1.745 1.00 15.00 A H +ATOM 590 CB GLU A 119 6.761 -2.717 -2.653 1.00 15.00 A C +ATOM 591 HB1 GLU A 119 5.782 -3.123 -2.441 1.00 15.00 A H +ATOM 592 HB2 GLU A 119 7.490 -3.511 -2.581 1.00 15.00 A H +ATOM 593 CG GLU A 119 6.761 -2.207 -4.083 1.00 15.00 A C +ATOM 594 HG1 GLU A 119 6.428 -1.180 -4.088 1.00 15.00 A H +ATOM 595 HG2 GLU A 119 6.078 -2.809 -4.665 1.00 15.00 A H +ATOM 596 CD GLU A 119 8.131 -2.278 -4.726 1.00 15.00 A C +ATOM 597 OE1 GLU A 119 8.857 -3.260 -4.468 1.00 15.00 A O +ATOM 598 OE2 GLU A 119 8.477 -1.354 -5.489 1.00 15.00 A O +ATOM 599 C GLU A 119 6.813 -2.234 -0.209 1.00 15.00 A C +ATOM 600 O GLU A 119 6.451 -3.404 -0.078 1.00 15.00 A O +ATOM 601 N PRO A 120 6.991 -1.428 0.845 1.00 15.00 A N +ATOM 602 CA PRO A 120 6.777 -1.873 2.206 1.00 15.00 A C +ATOM 603 HA PRO A 120 7.087 -2.897 2.354 1.00 15.00 A H +ATOM 604 CB PRO A 120 7.690 -0.933 2.983 1.00 15.00 A C +ATOM 605 HB1 PRO A 120 8.708 -1.288 2.949 1.00 15.00 A H +ATOM 606 HB2 PRO A 120 7.350 -0.840 4.006 1.00 15.00 A H +ATOM 607 CG PRO A 120 7.571 0.354 2.251 1.00 15.00 A C +ATOM 608 HG1 PRO A 120 8.465 0.942 2.385 1.00 15.00 A H +ATOM 609 HG2 PRO A 120 6.704 0.893 2.603 1.00 15.00 A H +ATOM 610 CD PRO A 120 7.410 -0.014 0.800 1.00 15.00 A C +ATOM 611 HD1 PRO A 120 8.352 0.090 0.275 1.00 15.00 A H +ATOM 612 HD2 PRO A 120 6.655 0.597 0.338 1.00 15.00 A H +ATOM 613 C PRO A 120 5.335 -1.696 2.632 1.00 15.00 A C +ATOM 614 O PRO A 120 4.561 -1.005 1.970 1.00 15.00 A O +ATOM 615 N TYR A 121 4.989 -2.337 3.730 1.00 15.00 A N +ATOM 616 HN TYR A 121 5.659 -2.891 4.182 1.00 15.00 A H +ATOM 617 CA TYR A 121 3.657 -2.252 4.292 1.00 15.00 A C +ATOM 618 HA TYR A 121 3.440 -1.209 4.447 1.00 15.00 A H +ATOM 619 CB TYR A 121 2.593 -2.849 3.365 1.00 15.00 A C +ATOM 620 HB1 TYR A 121 2.637 -2.353 2.412 1.00 15.00 A H +ATOM 621 HB2 TYR A 121 1.619 -2.671 3.801 1.00 15.00 A H +ATOM 622 CG TYR A 121 2.721 -4.333 3.122 1.00 15.00 A C +ATOM 623 CD1 TYR A 121 3.524 -4.823 2.103 1.00 15.00 A C +ATOM 624 HD1 TYR A 121 4.081 -4.132 1.498 1.00 15.00 A H +ATOM 625 CD2 TYR A 121 2.001 -5.250 3.888 1.00 15.00 A C +ATOM 626 HD2 TYR A 121 1.364 -4.882 4.683 1.00 15.00 A H +ATOM 627 CE1 TYR A 121 3.618 -6.170 1.857 1.00 15.00 A C +ATOM 628 HE1 TYR A 121 4.261 -6.533 1.060 1.00 15.00 A H +ATOM 629 CE2 TYR A 121 2.097 -6.607 3.651 1.00 15.00 A C +ATOM 630 HE2 TYR A 121 1.553 -7.306 4.260 1.00 15.00 A H +ATOM 631 CZ TYR A 121 2.901 -7.057 2.630 1.00 15.00 A C +ATOM 632 OH TYR A 121 2.990 -8.392 2.374 1.00 15.00 A O +ATOM 633 HH TYR A 121 2.107 -8.763 2.325 1.00 15.00 A H +ATOM 634 C TYR A 121 3.629 -2.944 5.627 1.00 15.00 A C +ATOM 635 O TYR A 121 4.440 -3.825 5.891 1.00 15.00 A O +ATOM 636 N VAL A 122 2.711 -2.537 6.475 1.00 15.00 A N +ATOM 637 HN VAL A 122 2.096 -1.819 6.215 1.00 15.00 A H +ATOM 638 CA VAL A 122 2.616 -3.130 7.790 1.00 15.00 A C +ATOM 639 HA VAL A 122 3.338 -3.935 7.825 1.00 15.00 A H +ATOM 640 CB VAL A 122 3.007 -2.102 8.900 1.00 15.00 A C +ATOM 641 HB VAL A 122 3.875 -2.493 9.414 1.00 15.00 A H +ATOM 642 CG1 VAL A 122 3.396 -0.760 8.291 1.00 15.00 A C +ATOM 643 HG11 VAL A 122 4.381 -0.833 7.856 1.00 15.00 A H +ATOM 644 HG12 VAL A 122 3.400 -0.003 9.063 1.00 15.00 A H +ATOM 645 HG13 VAL A 122 2.682 -0.490 7.527 1.00 15.00 A H +ATOM 646 CG2 VAL A 122 1.900 -1.912 9.931 1.00 15.00 A C +ATOM 647 HG21 VAL A 122 1.118 -1.298 9.507 1.00 15.00 A H +ATOM 648 HG22 VAL A 122 2.303 -1.427 10.807 1.00 15.00 A H +ATOM 649 HG23 VAL A 122 1.495 -2.873 10.207 1.00 15.00 A H +ATOM 650 C VAL A 122 1.230 -3.722 8.047 1.00 15.00 A C +ATOM 651 O VAL A 122 0.208 -3.049 7.908 1.00 15.00 A O +ATOM 652 N SER A 123 1.206 -5.013 8.350 1.00 15.00 A N +ATOM 653 HN SER A 123 2.049 -5.520 8.334 1.00 15.00 A H +ATOM 654 CA SER A 123 -0.028 -5.701 8.690 1.00 15.00 A C +ATOM 655 HA SER A 123 -0.851 -5.059 8.425 1.00 15.00 A H +ATOM 656 CB SER A 123 -0.132 -7.027 7.924 1.00 15.00 A C +ATOM 657 HB1 SER A 123 0.520 -7.756 8.375 1.00 15.00 A H +ATOM 658 HB2 SER A 123 0.162 -6.868 6.897 1.00 15.00 A H +ATOM 659 OG SER A 123 -1.459 -7.530 7.941 1.00 15.00 A O +ATOM 660 HG SER A 123 -2.076 -6.799 8.004 1.00 15.00 A H +ATOM 661 C SER A 123 -0.030 -5.913 10.206 1.00 15.00 A C +ATOM 662 O SER A 123 1.004 -5.737 10.845 1.00 15.00 A O +ATOM 663 N CYS A 124 -1.162 -6.271 10.806 1.00 15.00 A N +ATOM 664 HN CYS A 124 -1.967 -6.441 10.273 1.00 15.00 A H +ATOM 665 CA CYS A 124 -1.192 -6.448 12.263 1.00 15.00 A C +ATOM 666 HA CYS A 124 -0.180 -6.623 12.587 1.00 15.00 A H +ATOM 667 HB1 CYS A 124 -2.782 -5.356 13.221 1.00 15.00 A H +ATOM 668 HB2 CYS A 124 -1.639 -4.336 12.357 1.00 15.00 A H +ATOM 669 C CYS A 124 -2.044 -7.622 12.684 1.00 15.00 A C +ATOM 670 O CYS A 124 -3.216 -7.716 12.313 1.00 15.00 A O +ATOM 671 CB CYS A 124 -1.734 -5.203 12.990 1.00 15.00 A C +ATOM 672 SG CYS A 124 -0.895 -4.847 14.567 1.00 15.00 A S +ATOM 673 N ASP A 125 -1.446 -8.532 13.444 1.00 15.00 A N +ATOM 674 HN ASP A 125 -0.486 -8.457 13.628 1.00 15.00 A H +ATOM 675 CA ASP A 125 -2.198 -9.645 13.989 1.00 15.00 A C +ATOM 676 HA ASP A 125 -2.955 -9.899 13.257 1.00 15.00 A H +ATOM 677 CB ASP A 125 -1.299 -10.893 14.230 1.00 15.00 A C +ATOM 678 HB1 ASP A 125 -0.636 -10.999 13.385 1.00 15.00 A H +ATOM 679 HB2 ASP A 125 -1.926 -11.765 14.272 1.00 15.00 A H +ATOM 680 CG ASP A 125 -0.449 -10.875 15.491 1.00 15.00 A C +ATOM 681 OD1 ASP A 125 -0.973 -10.559 16.566 1.00 15.00 A O +ATOM 682 OD2 ASP A 125 0.737 -11.235 15.403 1.00 15.00 A O +ATOM 683 C ASP A 125 -2.921 -9.116 15.251 1.00 15.00 A C +ATOM 684 O ASP A 125 -2.651 -7.986 15.669 1.00 15.00 A O +ATOM 685 N PRO A 126 -3.843 -9.888 15.871 1.00 15.00 A N +ATOM 686 CA PRO A 126 -4.619 -9.421 17.041 1.00 15.00 A C +ATOM 687 HA PRO A 126 -5.251 -8.592 16.758 1.00 15.00 A H +ATOM 688 CB PRO A 126 -5.518 -10.617 17.387 1.00 15.00 A C +ATOM 689 HB1 PRO A 126 -6.517 -10.447 17.016 1.00 15.00 A H +ATOM 690 HB2 PRO A 126 -5.537 -10.766 18.459 1.00 15.00 A H +ATOM 691 CG PRO A 126 -4.918 -11.790 16.704 1.00 15.00 A C +ATOM 692 HG1 PRO A 126 -5.695 -12.479 16.405 1.00 15.00 A H +ATOM 693 HG2 PRO A 126 -4.216 -12.279 17.367 1.00 15.00 A H +ATOM 694 CD PRO A 126 -4.212 -11.263 15.495 1.00 15.00 A C +ATOM 695 HD1 PRO A 126 -4.871 -11.266 14.641 1.00 15.00 A H +ATOM 696 HD2 PRO A 126 -3.333 -11.850 15.296 1.00 15.00 A H +ATOM 697 C PRO A 126 -3.799 -8.987 18.275 1.00 15.00 A C +ATOM 698 O PRO A 126 -4.323 -8.271 19.126 1.00 15.00 A O +ATOM 699 N VAL A 127 -2.530 -9.394 18.384 1.00 15.00 A N +ATOM 700 HN VAL A 127 -2.129 -9.942 17.677 1.00 15.00 A H +ATOM 701 CA VAL A 127 -1.728 -9.014 19.558 1.00 15.00 A C +ATOM 702 HA VAL A 127 -2.414 -8.557 20.255 1.00 15.00 A H +ATOM 703 CB VAL A 127 -1.101 -10.240 20.275 1.00 15.00 A C +ATOM 704 HB VAL A 127 -0.709 -9.903 21.225 1.00 15.00 A H +ATOM 705 CG1 VAL A 127 -2.155 -11.299 20.568 1.00 15.00 A C +ATOM 706 HG11 VAL A 127 -3.011 -10.838 21.036 1.00 15.00 A H +ATOM 707 HG12 VAL A 127 -1.741 -12.046 21.231 1.00 15.00 A H +ATOM 708 HG13 VAL A 127 -2.459 -11.770 19.644 1.00 15.00 A H +ATOM 709 CG2 VAL A 127 0.051 -10.834 19.479 1.00 15.00 A C +ATOM 710 HG21 VAL A 127 0.191 -11.867 19.763 1.00 15.00 A H +ATOM 711 HG22 VAL A 127 0.955 -10.279 19.687 1.00 15.00 A H +ATOM 712 HG23 VAL A 127 -0.171 -10.777 18.423 1.00 15.00 A H +ATOM 713 C VAL A 127 -0.629 -7.978 19.253 1.00 15.00 A C +ATOM 714 O VAL A 127 -0.372 -7.104 20.083 1.00 15.00 A O +ATOM 715 N LYS A 128 0.022 -8.053 18.084 1.00 15.00 A N +ATOM 716 HN LYS A 128 -0.219 -8.750 17.437 1.00 15.00 A H +ATOM 717 CA LYS A 128 1.086 -7.093 17.758 1.00 15.00 A C +ATOM 718 HA LYS A 128 0.854 -6.175 18.281 1.00 15.00 A H +ATOM 719 CB LYS A 128 2.456 -7.592 18.249 1.00 15.00 A C +ATOM 720 HB1 LYS A 128 2.410 -7.724 19.320 1.00 15.00 A H +ATOM 721 HB2 LYS A 128 3.196 -6.838 18.024 1.00 15.00 A H +ATOM 722 CG LYS A 128 2.918 -8.903 17.626 1.00 15.00 A C +ATOM 723 HG1 LYS A 128 2.884 -8.811 16.549 1.00 15.00 A H +ATOM 724 HG2 LYS A 128 2.255 -9.694 17.943 1.00 15.00 A H +ATOM 725 CD LYS A 128 4.338 -9.256 18.046 1.00 15.00 A C +ATOM 726 HD1 LYS A 128 4.970 -8.391 17.907 1.00 15.00 A H +ATOM 727 HD2 LYS A 128 4.696 -10.067 17.429 1.00 15.00 A H +ATOM 728 CE LYS A 128 4.410 -9.686 19.504 1.00 15.00 A C +ATOM 729 HE1 LYS A 128 3.876 -10.617 19.619 1.00 15.00 A H +ATOM 730 HE2 LYS A 128 3.945 -8.925 20.113 1.00 15.00 A H +ATOM 731 NZ LYS A 128 5.818 -9.874 19.957 1.00 15.00 A N +ATOM 732 HZ1 LYS A 128 6.291 -10.588 19.366 1.00 15.00 A H +ATOM 733 HZ2 LYS A 128 5.841 -10.192 20.946 1.00 15.00 A H +ATOM 734 HZ3 LYS A 128 6.341 -8.977 19.879 1.00 15.00 A H +ATOM 735 C LYS A 128 1.153 -6.775 16.267 1.00 15.00 A C +ATOM 736 O LYS A 128 0.538 -7.455 15.449 1.00 15.00 A O +ATOM 737 N CYS A 129 1.916 -5.731 15.930 1.00 15.00 A N +ATOM 738 HN CYS A 129 2.401 -5.250 16.632 1.00 15.00 A H +ATOM 739 CA CYS A 129 2.063 -5.298 14.544 1.00 15.00 A C +ATOM 740 HA CYS A 129 1.273 -5.766 13.973 1.00 15.00 A H +ATOM 741 HB1 CYS A 129 2.532 -3.414 13.618 1.00 15.00 A H +ATOM 742 HB2 CYS A 129 2.259 -3.314 15.349 1.00 15.00 A H +ATOM 743 C CYS A 129 3.401 -5.741 13.959 1.00 15.00 A C +ATOM 744 O CYS A 129 4.387 -5.913 14.677 1.00 15.00 A O +ATOM 745 CB CYS A 129 1.919 -3.770 14.430 1.00 15.00 A C +ATOM 746 SG CYS A 129 0.211 -3.208 14.127 1.00 15.00 A S +ATOM 747 N TYR A 130 3.409 -5.943 12.643 1.00 15.00 A N +ATOM 748 HN TYR A 130 2.579 -5.800 12.140 1.00 15.00 A H +ATOM 749 CA TYR A 130 4.606 -6.370 11.921 1.00 15.00 A C +ATOM 750 HA TYR A 130 5.456 -6.232 12.571 1.00 15.00 A H +ATOM 751 CB TYR A 130 4.510 -7.848 11.502 1.00 15.00 A C +ATOM 752 HB1 TYR A 130 5.402 -8.108 10.951 1.00 15.00 A H +ATOM 753 HB2 TYR A 130 3.659 -7.962 10.848 1.00 15.00 A H +ATOM 754 CG TYR A 130 4.352 -8.855 12.628 1.00 15.00 A C +ATOM 755 CD1 TYR A 130 3.108 -9.103 13.185 1.00 15.00 A C +ATOM 756 HD1 TYR A 130 2.243 -8.548 12.822 1.00 15.00 A H +ATOM 757 CD2 TYR A 130 5.441 -9.579 13.106 1.00 15.00 A C +ATOM 758 HD2 TYR A 130 6.418 -9.394 12.684 1.00 15.00 A H +ATOM 759 CE1 TYR A 130 2.951 -10.044 14.182 1.00 15.00 A C +ATOM 760 HE1 TYR A 130 1.976 -10.221 14.599 1.00 15.00 A H +ATOM 761 CE2 TYR A 130 5.288 -10.517 14.110 1.00 15.00 A C +ATOM 762 HE2 TYR A 130 6.145 -11.056 14.470 1.00 15.00 A H +ATOM 763 CZ TYR A 130 4.038 -10.750 14.645 1.00 15.00 A C +ATOM 764 OH TYR A 130 3.875 -11.703 15.627 1.00 15.00 A O +ATOM 765 HH TYR A 130 4.522 -11.551 16.321 1.00 15.00 A H +ATOM 766 C TYR A 130 4.794 -5.532 10.657 1.00 15.00 A C +ATOM 767 O TYR A 130 3.819 -5.071 10.060 1.00 15.00 A O +ATOM 768 N GLN A 131 6.045 -5.340 10.257 1.00 15.00 A N +ATOM 769 HN GLN A 131 6.777 -5.709 10.793 1.00 15.00 A H +ATOM 770 CA GLN A 131 6.354 -4.590 9.046 1.00 15.00 A C +ATOM 771 HA GLN A 131 5.428 -4.174 8.678 1.00 15.00 A H +ATOM 772 CB GLN A 131 7.332 -3.442 9.335 1.00 15.00 A C +ATOM 773 HB1 GLN A 131 6.916 -2.821 10.116 1.00 15.00 A H +ATOM 774 HB2 GLN A 131 7.442 -2.846 8.440 1.00 15.00 A H +ATOM 775 CG GLN A 131 8.711 -3.897 9.776 1.00 15.00 A C +ATOM 776 HG1 GLN A 131 9.078 -4.628 9.072 1.00 15.00 A H +ATOM 777 HG2 GLN A 131 8.622 -4.356 10.752 1.00 15.00 A H +ATOM 778 CD GLN A 131 9.715 -2.767 9.879 1.00 15.00 A C +ATOM 779 OE1 GLN A 131 10.779 -2.806 9.259 1.00 15.00 A O +ATOM 780 NE2 GLN A 131 9.370 -1.741 10.642 1.00 15.00 A N +ATOM 781 HE21 GLN A 131 8.495 -1.766 11.072 1.00 15.00 A H +ATOM 782 HE22 GLN A 131 10.022 -1.033 10.786 1.00 15.00 A H +ATOM 783 C GLN A 131 6.917 -5.529 7.975 1.00 15.00 A C +ATOM 784 O GLN A 131 7.758 -6.388 8.251 1.00 15.00 A O +ATOM 785 N PHE A 132 6.424 -5.369 6.759 1.00 15.00 A N +ATOM 786 HN PHE A 132 5.751 -4.674 6.612 1.00 15.00 A H +ATOM 787 CA PHE A 132 6.842 -6.191 5.628 1.00 15.00 A C +ATOM 788 HA PHE A 132 7.539 -6.933 5.986 1.00 15.00 A H +ATOM 789 CB PHE A 132 5.636 -6.884 4.997 1.00 15.00 A C +ATOM 790 HB1 PHE A 132 5.983 -7.545 4.221 1.00 15.00 A H +ATOM 791 HB2 PHE A 132 4.993 -6.136 4.554 1.00 15.00 A H +ATOM 792 CG PHE A 132 4.801 -7.694 5.953 1.00 15.00 A C +ATOM 793 CD1 PHE A 132 3.941 -7.068 6.847 1.00 15.00 A C +ATOM 794 HD1 PHE A 132 3.895 -5.990 6.874 1.00 15.00 A H +ATOM 795 CD2 PHE A 132 4.854 -9.078 5.934 1.00 15.00 A C +ATOM 796 HD2 PHE A 132 5.510 -9.573 5.236 1.00 15.00 A H +ATOM 797 CE1 PHE A 132 3.154 -7.811 7.704 1.00 15.00 A C +ATOM 798 HE1 PHE A 132 2.490 -7.309 8.394 1.00 15.00 A H +ATOM 799 CE2 PHE A 132 4.074 -9.825 6.800 1.00 15.00 A C +ATOM 800 HE2 PHE A 132 4.135 -10.902 6.786 1.00 15.00 A H +ATOM 801 CZ PHE A 132 3.222 -9.189 7.683 1.00 15.00 A C +ATOM 802 HZ PHE A 132 2.603 -9.772 8.347 1.00 15.00 A H +ATOM 803 C PHE A 132 7.522 -5.337 4.570 1.00 15.00 A C +ATOM 804 O PHE A 132 7.493 -4.106 4.647 1.00 15.00 A O +ATOM 805 N ALA A 133 8.118 -6.004 3.579 1.00 15.00 A N +ATOM 806 HN ALA A 133 8.094 -6.986 3.586 1.00 15.00 A H +ATOM 807 CA ALA A 133 8.798 -5.322 2.483 1.00 15.00 A C +ATOM 808 HA ALA A 133 8.067 -4.725 1.962 1.00 15.00 A H +ATOM 809 CB ALA A 133 9.887 -4.390 3.000 1.00 15.00 A C +ATOM 810 HB1 ALA A 133 9.602 -4.003 3.969 1.00 15.00 A H +ATOM 811 HB2 ALA A 133 10.014 -3.569 2.310 1.00 15.00 A H +ATOM 812 HB3 ALA A 133 10.818 -4.932 3.088 1.00 15.00 A H +ATOM 813 C ALA A 133 9.409 -6.309 1.502 1.00 15.00 A C +ATOM 814 O ALA A 133 9.854 -7.390 1.882 1.00 15.00 A O +ATOM 815 N LEU A 134 9.422 -5.924 0.233 1.00 15.00 A N +ATOM 816 HN LEU A 134 9.021 -5.064 -0.008 1.00 15.00 A H +ATOM 817 CA LEU A 134 10.008 -6.751 -0.810 1.00 15.00 A C +ATOM 818 HA LEU A 134 9.828 -7.785 -0.559 1.00 15.00 A H +ATOM 819 CB LEU A 134 9.367 -6.440 -2.166 1.00 15.00 A C +ATOM 820 HB1 LEU A 134 10.129 -6.532 -2.924 1.00 15.00 A H +ATOM 821 HB2 LEU A 134 9.028 -5.413 -2.151 1.00 15.00 A H +ATOM 822 CG LEU A 134 8.187 -7.333 -2.571 1.00 15.00 A C +ATOM 823 HG LEU A 134 8.569 -8.207 -3.080 1.00 15.00 A H +ATOM 824 CD1 LEU A 134 7.405 -7.807 -1.354 1.00 15.00 A C +ATOM 825 HD11 LEU A 134 7.439 -7.048 -0.583 1.00 15.00 A H +ATOM 826 HD12 LEU A 134 7.845 -8.719 -0.977 1.00 15.00 A H +ATOM 827 HD13 LEU A 134 6.379 -7.989 -1.633 1.00 15.00 A H +ATOM 828 CD2 LEU A 134 7.274 -6.592 -3.536 1.00 15.00 A C +ATOM 829 HD21 LEU A 134 7.871 -6.023 -4.232 1.00 15.00 A H +ATOM 830 HD22 LEU A 134 6.630 -5.924 -2.983 1.00 15.00 A H +ATOM 831 HD23 LEU A 134 6.671 -7.305 -4.078 1.00 15.00 A H +ATOM 832 C LEU A 134 11.510 -6.511 -0.871 1.00 15.00 A C +ATOM 833 O LEU A 134 11.961 -5.417 -1.213 1.00 15.00 A O +ATOM 834 N GLY A 135 12.280 -7.527 -0.518 1.00 15.00 A N +ATOM 835 HN GLY A 135 11.869 -8.375 -0.252 1.00 15.00 A H +ATOM 836 CA GLY A 135 13.720 -7.397 -0.538 1.00 15.00 A C +ATOM 837 HA1 GLY A 135 14.151 -8.106 0.154 1.00 15.00 A H +ATOM 838 HA2 GLY A 135 13.984 -6.395 -0.225 1.00 15.00 A H +ATOM 839 C GLY A 135 14.286 -7.648 -1.917 1.00 15.00 A C +ATOM 840 O GLY A 135 13.669 -8.330 -2.732 1.00 15.00 A O +ATOM 841 N GLN A 136 15.462 -7.093 -2.181 1.00 15.00 A N +ATOM 842 HN GLN A 136 15.907 -6.558 -1.492 1.00 15.00 A H +ATOM 843 CA GLN A 136 16.112 -7.255 -3.475 1.00 15.00 A C +ATOM 844 HA GLN A 136 15.353 -7.498 -4.200 1.00 15.00 A H +ATOM 845 CB GLN A 136 16.778 -5.939 -3.881 1.00 15.00 A C +ATOM 846 HB1 GLN A 136 17.417 -6.113 -4.735 1.00 15.00 A H +ATOM 847 HB2 GLN A 136 17.380 -5.590 -3.056 1.00 15.00 A H +ATOM 848 CG GLN A 136 15.784 -4.848 -4.242 1.00 15.00 A C +ATOM 849 HG1 GLN A 136 16.319 -3.918 -4.372 1.00 15.00 A H +ATOM 850 HG2 GLN A 136 15.077 -4.744 -3.431 1.00 15.00 A H +ATOM 851 CD GLN A 136 15.016 -5.152 -5.515 1.00 15.00 A C +ATOM 852 OE1 GLN A 136 15.228 -6.179 -6.157 1.00 15.00 A O +ATOM 853 NE2 GLN A 136 14.115 -4.254 -5.890 1.00 15.00 A N +ATOM 854 HE21 GLN A 136 13.995 -3.456 -5.335 1.00 15.00 A H +ATOM 855 HE22 GLN A 136 13.599 -4.429 -6.705 1.00 15.00 A H +ATOM 856 C GLN A 136 17.141 -8.381 -3.437 1.00 15.00 A C +ATOM 857 O GLN A 136 17.986 -8.489 -4.329 1.00 15.00 A O +ATOM 858 N GLY A 137 17.059 -9.217 -2.401 1.00 15.00 A N +ATOM 859 HN GLY A 137 16.360 -9.079 -1.727 1.00 15.00 A H +ATOM 860 CA GLY A 137 17.987 -10.330 -2.260 1.00 15.00 A C +ATOM 861 HA1 GLY A 137 17.959 -10.920 -3.165 1.00 15.00 A H +ATOM 862 HA2 GLY A 137 17.671 -10.947 -1.431 1.00 15.00 A H +ATOM 863 C GLY A 137 19.412 -9.874 -2.014 1.00 15.00 A C +ATOM 864 O GLY A 137 20.358 -10.512 -2.477 1.00 15.00 A O +ATOM 865 N THR A 138 19.566 -8.775 -1.279 1.00 15.00 A N +ATOM 866 HN THR A 138 18.774 -8.323 -0.924 1.00 15.00 A H +ATOM 867 CA THR A 138 20.888 -8.224 -0.992 1.00 15.00 A C +ATOM 868 HA THR A 138 21.520 -9.023 -0.637 1.00 15.00 A H +ATOM 869 CB THR A 138 21.520 -7.635 -2.274 1.00 15.00 A C +ATOM 870 HB THR A 138 21.458 -8.373 -3.062 1.00 15.00 A H +ATOM 871 OG1 THR A 138 22.894 -7.306 -2.047 1.00 15.00 A O +ATOM 872 HG1 THR A 138 23.058 -6.406 -2.333 1.00 15.00 A H +ATOM 873 CG2 THR A 138 20.767 -6.387 -2.717 1.00 15.00 A C +ATOM 874 HG21 THR A 138 21.196 -5.520 -2.234 1.00 15.00 A H +ATOM 875 HG22 THR A 138 19.728 -6.473 -2.437 1.00 15.00 A H +ATOM 876 HG23 THR A 138 20.845 -6.279 -3.788 1.00 15.00 A H +ATOM 877 C THR A 138 20.821 -7.119 0.062 1.00 15.00 A C +ATOM 878 O THR A 138 19.750 -6.586 0.347 1.00 15.00 A O +ATOM 879 N THR A 139 21.976 -6.791 0.639 1.00 15.00 A N +ATOM 880 HN THR A 139 22.785 -7.288 0.400 1.00 15.00 A H +ATOM 881 CA THR A 139 22.067 -5.720 1.626 1.00 15.00 A C +ATOM 882 HA THR A 139 21.079 -5.552 2.029 1.00 15.00 A H +ATOM 883 CB THR A 139 23.015 -6.091 2.786 1.00 15.00 A C +ATOM 884 HB THR A 139 23.163 -5.216 3.402 1.00 15.00 A H +ATOM 885 OG1 THR A 139 24.280 -6.521 2.272 1.00 15.00 A O +ATOM 886 HG1 THR A 139 24.937 -5.835 2.419 1.00 15.00 A H +ATOM 887 CG2 THR A 139 22.411 -7.193 3.647 1.00 15.00 A C +ATOM 888 HG21 THR A 139 21.590 -6.791 4.223 1.00 15.00 A H +ATOM 889 HG22 THR A 139 23.165 -7.582 4.317 1.00 15.00 A H +ATOM 890 HG23 THR A 139 22.050 -7.989 3.013 1.00 15.00 A H +ATOM 891 C THR A 139 22.552 -4.438 0.950 1.00 15.00 A C +ATOM 892 O THR A 139 23.047 -4.483 -0.179 1.00 15.00 A O +ATOM 893 N LEU A 140 22.411 -3.297 1.624 1.00 15.00 A N +ATOM 894 HN LEU A 140 22.021 -3.310 2.522 1.00 15.00 A H +ATOM 895 CA LEU A 140 22.830 -2.029 1.037 1.00 15.00 A C +ATOM 896 HA LEU A 140 22.340 -1.951 0.077 1.00 15.00 A H +ATOM 897 CB LEU A 140 22.408 -0.838 1.886 1.00 15.00 A C +ATOM 898 HB1 LEU A 140 23.178 -0.641 2.613 1.00 15.00 A H +ATOM 899 HB2 LEU A 140 21.494 -1.089 2.404 1.00 15.00 A H +ATOM 900 CG LEU A 140 22.179 0.438 1.074 1.00 15.00 A C +ATOM 901 HG LEU A 140 22.049 0.170 0.036 1.00 15.00 A H +ATOM 902 CD1 LEU A 140 20.920 1.146 1.532 1.00 15.00 A C +ATOM 903 HD11 LEU A 140 20.902 1.181 2.611 1.00 15.00 A H +ATOM 904 HD12 LEU A 140 20.056 0.610 1.171 1.00 15.00 A H +ATOM 905 HD13 LEU A 140 20.911 2.152 1.140 1.00 15.00 A H +ATOM 906 CD2 LEU A 140 23.382 1.361 1.172 1.00 15.00 A C +ATOM 907 HD21 LEU A 140 23.216 2.233 0.557 1.00 15.00 A H +ATOM 908 HD22 LEU A 140 24.265 0.839 0.825 1.00 15.00 A H +ATOM 909 HD23 LEU A 140 23.524 1.664 2.197 1.00 15.00 A H +ATOM 910 C LEU A 140 24.334 -1.999 0.799 1.00 15.00 A C +ATOM 911 O LEU A 140 24.774 -1.745 -0.324 1.00 15.00 A O +ATOM 912 N ASP A 141 25.123 -2.240 1.851 1.00 15.00 A N +ATOM 913 HN ASP A 141 24.723 -2.397 2.732 1.00 15.00 A H +ATOM 914 CA ASP A 141 26.579 -2.264 1.702 1.00 15.00 A C +ATOM 915 HA ASP A 141 26.839 -1.498 0.985 1.00 15.00 A H +ATOM 916 CB ASP A 141 27.299 -1.966 3.027 1.00 15.00 A C +ATOM 917 HB1 ASP A 141 27.418 -2.884 3.587 1.00 15.00 A H +ATOM 918 HB2 ASP A 141 26.710 -1.267 3.604 1.00 15.00 A H +ATOM 919 CG ASP A 141 28.674 -1.355 2.798 1.00 15.00 A C +ATOM 920 OD1 ASP A 141 29.138 -1.359 1.636 1.00 15.00 A O +ATOM 921 OD2 ASP A 141 29.281 -0.871 3.773 1.00 15.00 A O +ATOM 922 C ASP A 141 27.003 -3.612 1.128 1.00 15.00 A C +ATOM 923 O ASP A 141 27.596 -4.454 1.806 1.00 15.00 A O +ATOM 924 N ASN A 142 26.665 -3.789 -0.141 1.00 15.00 A N +ATOM 925 HN ASN A 142 26.211 -3.056 -0.605 1.00 15.00 A H +ATOM 926 CA ASN A 142 26.935 -5.008 -0.884 1.00 15.00 A C +ATOM 927 HA ASN A 142 27.908 -5.378 -0.595 1.00 15.00 A H +ATOM 928 CB ASN A 142 25.851 -6.048 -0.531 1.00 15.00 A C +ATOM 929 HB1 ASN A 142 24.920 -5.748 -0.987 1.00 15.00 A H +ATOM 930 HB2 ASN A 142 25.723 -6.055 0.543 1.00 15.00 A H +ATOM 931 CG ASN A 142 26.160 -7.475 -0.964 1.00 15.00 A C +ATOM 932 OD1 ASN A 142 25.643 -8.431 -0.388 1.00 15.00 A O +ATOM 933 ND2 ASN A 142 27.009 -7.636 -1.968 1.00 15.00 A N +ATOM 934 HD21 ASN A 142 27.404 -6.838 -2.370 1.00 15.00 A H +ATOM 935 HD22 ASN A 142 27.189 -8.548 -2.279 1.00 15.00 A H +ATOM 936 C ASN A 142 26.931 -4.666 -2.378 1.00 15.00 A C +ATOM 937 O ASN A 142 26.066 -3.926 -2.838 1.00 15.00 A O +ATOM 938 N LYS A 143 27.908 -5.185 -3.127 1.00 15.00 A N +ATOM 939 HN LYS A 143 28.575 -5.765 -2.703 1.00 15.00 A H +ATOM 940 CA LYS A 143 28.017 -4.902 -4.565 1.00 15.00 A C +ATOM 941 HA LYS A 143 28.113 -3.833 -4.674 1.00 15.00 A H +ATOM 942 CB LYS A 143 29.275 -5.559 -5.150 1.00 15.00 A C +ATOM 943 HB1 LYS A 143 29.203 -5.545 -6.228 1.00 15.00 A H +ATOM 944 HB2 LYS A 143 29.320 -6.582 -4.812 1.00 15.00 A H +ATOM 945 CG LYS A 143 30.575 -4.871 -4.751 1.00 15.00 A C +ATOM 946 HG1 LYS A 143 31.116 -5.510 -4.067 1.00 15.00 A H +ATOM 947 HG2 LYS A 143 30.343 -3.934 -4.266 1.00 15.00 A H +ATOM 948 CD LYS A 143 31.451 -4.593 -5.963 1.00 15.00 A C +ATOM 949 HD1 LYS A 143 30.980 -3.835 -6.570 1.00 15.00 A H +ATOM 950 HD2 LYS A 143 31.558 -5.503 -6.536 1.00 15.00 A H +ATOM 951 CE LYS A 143 32.833 -4.107 -5.553 1.00 15.00 A C +ATOM 952 HE1 LYS A 143 32.732 -3.471 -4.686 1.00 15.00 A H +ATOM 953 HE2 LYS A 143 33.258 -3.539 -6.367 1.00 15.00 A H +ATOM 954 NZ LYS A 143 33.751 -5.234 -5.221 1.00 15.00 A N +ATOM 955 HZ1 LYS A 143 33.851 -5.868 -6.040 1.00 15.00 A H +ATOM 956 HZ2 LYS A 143 33.374 -5.780 -4.419 1.00 15.00 A H +ATOM 957 HZ3 LYS A 143 34.690 -4.867 -4.964 1.00 15.00 A H +ATOM 958 C LYS A 143 26.780 -5.353 -5.358 1.00 15.00 A C +ATOM 959 O LYS A 143 26.563 -4.897 -6.480 1.00 15.00 A O +ATOM 960 N HIS A 144 25.969 -6.237 -4.775 1.00 15.00 A N +ATOM 961 HN HIS A 144 26.187 -6.565 -3.876 1.00 15.00 A H +ATOM 962 CA HIS A 144 24.766 -6.738 -5.444 1.00 15.00 A C +ATOM 963 HA HIS A 144 25.014 -6.902 -6.481 1.00 15.00 A H +ATOM 964 CB HIS A 144 24.328 -8.069 -4.825 1.00 15.00 A C +ATOM 965 HB1 HIS A 144 23.377 -8.359 -5.248 1.00 15.00 A H +ATOM 966 HB2 HIS A 144 24.215 -7.940 -3.761 1.00 15.00 A H +ATOM 967 CG HIS A 144 25.293 -9.198 -5.042 1.00 15.00 A C +ATOM 968 ND1 HIS A 144 25.976 -9.758 -3.990 1.00 15.00 A N +ATOM 969 CD2 HIS A 144 25.635 -9.843 -6.186 1.00 15.00 A C +ATOM 970 HD2 HIS A 144 25.276 -9.631 -7.183 1.00 15.00 A H +ATOM 971 CE1 HIS A 144 26.710 -10.724 -4.507 1.00 15.00 A C +ATOM 972 HE1 HIS A 144 27.367 -11.365 -3.934 1.00 15.00 A H +ATOM 973 NE2 HIS A 144 26.537 -10.813 -5.834 1.00 15.00 A N +ATOM 974 HE2 HIS A 144 26.968 -11.457 -6.438 1.00 15.00 A H +ATOM 975 C HIS A 144 23.609 -5.724 -5.377 1.00 15.00 A C +ATOM 976 O HIS A 144 22.534 -5.966 -5.929 1.00 15.00 A O +ATOM 977 N SER A 145 23.835 -4.593 -4.702 1.00 15.00 A N +ATOM 978 HN SER A 145 24.705 -4.461 -4.271 1.00 15.00 A H +ATOM 979 CA SER A 145 22.811 -3.546 -4.573 1.00 15.00 A C +ATOM 980 HA SER A 145 21.850 -4.031 -4.492 1.00 15.00 A H +ATOM 981 CB SER A 145 23.050 -2.710 -3.310 1.00 15.00 A C +ATOM 982 HB1 SER A 145 23.117 -3.365 -2.451 1.00 15.00 A H +ATOM 983 HB2 SER A 145 22.227 -2.021 -3.173 1.00 15.00 A H +ATOM 984 OG SER A 145 24.252 -1.966 -3.407 1.00 15.00 A O +ATOM 985 HG SER A 145 24.976 -2.557 -3.629 1.00 15.00 A H +ATOM 986 C SER A 145 22.793 -2.624 -5.795 1.00 15.00 A C +ATOM 987 O SER A 145 21.914 -1.773 -5.926 1.00 15.00 A O +ATOM 988 N ASN A 146 23.768 -2.796 -6.684 1.00 15.00 A N +ATOM 989 HN ASN A 146 24.442 -3.491 -6.526 1.00 15.00 A H +ATOM 990 CA ASN A 146 23.856 -1.979 -7.891 1.00 15.00 A C +ATOM 991 HA ASN A 146 23.777 -0.942 -7.596 1.00 15.00 A H +ATOM 992 CB ASN A 146 25.212 -2.201 -8.577 1.00 15.00 A C +ATOM 993 HB1 ASN A 146 25.233 -3.190 -9.010 1.00 15.00 A H +ATOM 994 HB2 ASN A 146 25.995 -2.126 -7.834 1.00 15.00 A H +ATOM 995 CG ASN A 146 25.508 -1.187 -9.675 1.00 15.00 A C +ATOM 996 OD1 ASN A 146 24.626 -0.463 -10.129 1.00 15.00 A O +ATOM 997 ND2 ASN A 146 26.757 -1.142 -10.115 1.00 15.00 A N +ATOM 998 HD21 ASN A 146 27.412 -1.754 -9.718 1.00 15.00 A H +ATOM 999 HD22 ASN A 146 26.974 -0.497 -10.820 1.00 15.00 A H +ATOM 1000 C ASN A 146 22.709 -2.309 -8.845 1.00 15.00 A C +ATOM 1001 O ASN A 146 22.440 -3.479 -9.124 1.00 15.00 A O +ATOM 1002 N ASP A 147 22.029 -1.258 -9.318 1.00 15.00 A N +ATOM 1003 HN ASP A 147 22.295 -0.359 -9.032 1.00 15.00 A H +ATOM 1004 CA ASP A 147 20.908 -1.389 -10.250 1.00 15.00 A C +ATOM 1005 HA ASP A 147 20.590 -0.391 -10.512 1.00 15.00 A H +ATOM 1006 CB ASP A 147 21.359 -2.107 -11.531 1.00 15.00 A C +ATOM 1007 HB1 ASP A 147 21.201 -3.171 -11.414 1.00 15.00 A H +ATOM 1008 HB2 ASP A 147 22.410 -1.921 -11.692 1.00 15.00 A H +ATOM 1009 CG ASP A 147 20.595 -1.640 -12.755 1.00 15.00 A C +ATOM 1010 OD1 ASP A 147 19.811 -0.673 -12.637 1.00 15.00 A O +ATOM 1011 OD2 ASP A 147 20.776 -2.242 -13.834 1.00 15.00 A O +ATOM 1012 C ASP A 147 19.721 -2.125 -9.614 1.00 15.00 A C +ATOM 1013 O ASP A 147 19.171 -3.058 -10.204 1.00 15.00 A O +ATOM 1014 N THR A 148 19.324 -1.707 -8.408 1.00 15.00 A N +ATOM 1015 HN THR A 148 19.805 -0.972 -7.972 1.00 15.00 A H +ATOM 1016 CA THR A 148 18.186 -2.331 -7.722 1.00 15.00 A C +ATOM 1017 HA THR A 148 18.079 -3.331 -8.115 1.00 15.00 A H +ATOM 1018 CB THR A 148 18.386 -2.433 -6.199 1.00 15.00 A C +ATOM 1019 HB THR A 148 17.410 -2.470 -5.731 1.00 15.00 A H +ATOM 1020 OG1 THR A 148 19.086 -1.286 -5.710 1.00 15.00 A O +ATOM 1021 HG1 THR A 148 19.982 -1.283 -6.059 1.00 15.00 A H +ATOM 1022 CG2 THR A 148 19.142 -3.699 -5.828 1.00 15.00 A C +ATOM 1023 HG21 THR A 148 20.089 -3.717 -6.342 1.00 15.00 A H +ATOM 1024 HG22 THR A 148 18.559 -4.560 -6.114 1.00 15.00 A H +ATOM 1025 HG23 THR A 148 19.309 -3.716 -4.760 1.00 15.00 A H +ATOM 1026 C THR A 148 16.896 -1.567 -7.987 1.00 15.00 A C +ATOM 1027 O THR A 148 15.917 -1.701 -7.251 1.00 15.00 A O +ATOM 1028 N VAL A 149 16.903 -0.770 -9.050 1.00 15.00 A N +ATOM 1029 HN VAL A 149 17.716 -0.711 -9.592 1.00 15.00 A H +ATOM 1030 CA VAL A 149 15.735 0.015 -9.433 1.00 15.00 A C +ATOM 1031 HA VAL A 149 15.385 0.555 -8.568 1.00 15.00 A H +ATOM 1032 CB VAL A 149 16.068 1.030 -10.550 1.00 15.00 A C +ATOM 1033 HB VAL A 149 15.657 0.654 -11.477 1.00 15.00 A H +ATOM 1034 CG1 VAL A 149 15.423 2.376 -10.267 1.00 15.00 A C +ATOM 1035 HG11 VAL A 149 14.409 2.230 -9.931 1.00 15.00 A H +ATOM 1036 HG12 VAL A 149 15.419 2.966 -11.171 1.00 15.00 A H +ATOM 1037 HG13 VAL A 149 15.987 2.892 -9.505 1.00 15.00 A H +ATOM 1038 CG2 VAL A 149 17.573 1.182 -10.729 1.00 15.00 A C +ATOM 1039 HG21 VAL A 149 17.773 1.910 -11.501 1.00 15.00 A H +ATOM 1040 HG22 VAL A 149 17.997 0.230 -11.015 1.00 15.00 A H +ATOM 1041 HG23 VAL A 149 18.015 1.511 -9.800 1.00 15.00 A H +ATOM 1042 C VAL A 149 14.631 -0.904 -9.937 1.00 15.00 A C +ATOM 1043 O VAL A 149 13.447 -0.672 -9.692 1.00 15.00 A O +ATOM 1044 N HIS A 150 15.054 -1.950 -10.645 1.00 15.00 A N +ATOM 1045 HN HIS A 150 16.020 -2.056 -10.790 1.00 15.00 A H +ATOM 1046 CA HIS A 150 14.150 -2.940 -11.229 1.00 15.00 A C +ATOM 1047 HA HIS A 150 13.548 -2.435 -11.970 1.00 15.00 A H +ATOM 1048 CB HIS A 150 14.964 -4.028 -11.927 1.00 15.00 A C +ATOM 1049 HB1 HIS A 150 14.300 -4.658 -12.505 1.00 15.00 A H +ATOM 1050 HB2 HIS A 150 15.476 -4.622 -11.185 1.00 15.00 A H +ATOM 1051 CG HIS A 150 15.985 -3.457 -12.859 1.00 15.00 A C +ATOM 1052 ND1 HIS A 150 15.644 -2.692 -13.950 1.00 15.00 A N +ATOM 1053 HD1 HIS A 150 14.731 -2.478 -14.235 1.00 15.00 A H +ATOM 1054 CD2 HIS A 150 17.341 -3.489 -12.829 1.00 15.00 A C +ATOM 1055 HD2 HIS A 150 17.956 -4.017 -12.113 1.00 15.00 A H +ATOM 1056 CE1 HIS A 150 16.741 -2.273 -14.550 1.00 15.00 A C +ATOM 1057 HE1 HIS A 150 16.779 -1.641 -15.429 1.00 15.00 A H +ATOM 1058 NE2 HIS A 150 17.783 -2.742 -13.889 1.00 15.00 A N +ATOM 1059 HE2 HIS A 150 18.720 -2.568 -14.118 1.00 15.00 A H +ATOM 1060 C HIS A 150 13.221 -3.544 -10.178 1.00 15.00 A C +ATOM 1061 O HIS A 150 13.660 -3.985 -9.115 1.00 15.00 A O +ATOM 1062 N ASP A 151 11.937 -3.581 -10.515 1.00 15.00 A N +ATOM 1063 HN ASP A 151 11.671 -3.265 -11.404 1.00 15.00 A H +ATOM 1064 CA ASP A 151 10.905 -4.084 -9.619 1.00 15.00 A C +ATOM 1065 HA ASP A 151 11.128 -3.738 -8.623 1.00 15.00 A H +ATOM 1066 CB ASP A 151 9.545 -3.521 -10.043 1.00 15.00 A C +ATOM 1067 HB1 ASP A 151 8.785 -3.868 -9.356 1.00 15.00 A H +ATOM 1068 HB2 ASP A 151 9.314 -3.881 -11.035 1.00 15.00 A H +ATOM 1069 CG ASP A 151 9.520 -2.006 -10.069 1.00 15.00 A C +ATOM 1070 OD1 ASP A 151 10.018 -1.387 -9.105 1.00 15.00 A O +ATOM 1071 OD2 ASP A 151 9.006 -1.437 -11.056 1.00 15.00 A O +ATOM 1072 C ASP A 151 10.815 -5.605 -9.605 1.00 15.00 A C +ATOM 1073 O ASP A 151 10.290 -6.182 -8.651 1.00 15.00 A O +ATOM 1074 N ARG A 152 11.324 -6.273 -10.636 1.00 15.00 A N +ATOM 1075 HN ARG A 152 11.781 -5.797 -11.359 1.00 15.00 A H +ATOM 1076 CA ARG A 152 11.196 -7.720 -10.674 1.00 15.00 A C +ATOM 1077 HA ARG A 152 10.881 -8.033 -9.693 1.00 15.00 A H +ATOM 1078 CB ARG A 152 10.101 -8.125 -11.659 1.00 15.00 A C +ATOM 1079 HB1 ARG A 152 9.999 -9.201 -11.644 1.00 15.00 A H +ATOM 1080 HB2 ARG A 152 10.392 -7.815 -12.651 1.00 15.00 A H +ATOM 1081 CG ARG A 152 8.748 -7.514 -11.337 1.00 15.00 A C +ATOM 1082 HG1 ARG A 152 8.895 -6.472 -11.085 1.00 15.00 A H +ATOM 1083 HG2 ARG A 152 8.317 -8.034 -10.493 1.00 15.00 A H +ATOM 1084 CD ARG A 152 7.796 -7.609 -12.516 1.00 15.00 A C +ATOM 1085 HD1 ARG A 152 6.832 -7.947 -12.156 1.00 15.00 A H +ATOM 1086 HD2 ARG A 152 8.194 -8.325 -13.227 1.00 15.00 A H +ATOM 1087 NE ARG A 152 7.630 -6.324 -13.184 1.00 15.00 A N +ATOM 1088 HE ARG A 152 7.033 -5.671 -12.760 1.00 15.00 A H +ATOM 1089 CZ ARG A 152 8.255 -5.974 -14.306 1.00 15.00 A C +ATOM 1090 NH1 ARG A 152 9.084 -6.823 -14.904 1.00 15.00 A N +ATOM 1091 HH11 ARG A 152 9.580 -6.541 -15.771 1.00 15.00 A H +ATOM 1092 HH12 ARG A 152 9.231 -7.770 -14.511 1.00 15.00 A H +ATOM 1093 NH2 ARG A 152 8.029 -4.790 -14.857 1.00 15.00 A N +ATOM 1094 HH21 ARG A 152 8.513 -4.526 -15.740 1.00 15.00 A H +ATOM 1095 HH22 ARG A 152 7.366 -4.122 -14.404 1.00 15.00 A H +ATOM 1096 C ARG A 152 12.467 -8.479 -11.010 1.00 15.00 A C +ATOM 1097 O ARG A 152 13.064 -8.318 -12.076 1.00 15.00 A O +ATOM 1098 N ILE A 153 12.848 -9.321 -10.056 1.00 15.00 A N +ATOM 1099 HN ILE A 153 12.339 -9.329 -9.221 1.00 15.00 A H +ATOM 1100 CA ILE A 153 13.972 -10.237 -10.180 1.00 15.00 A C +ATOM 1101 HA ILE A 153 14.044 -10.523 -11.223 1.00 15.00 A H +ATOM 1102 CB ILE A 153 15.349 -9.672 -9.721 1.00 15.00 A C +ATOM 1103 HB ILE A 153 16.060 -10.485 -9.778 1.00 15.00 A H +ATOM 1104 CG1 ILE A 153 15.310 -9.162 -8.280 1.00 15.00 A C +ATOM 1105 HG11 ILE A 153 14.816 -9.895 -7.659 1.00 15.00 A H +ATOM 1106 HG12 ILE A 153 14.760 -8.237 -8.248 1.00 15.00 A H +ATOM 1107 CG2 ILE A 153 15.838 -8.581 -10.663 1.00 15.00 A C +ATOM 1108 HG21 ILE A 153 15.077 -7.824 -10.765 1.00 15.00 A H +ATOM 1109 HG22 ILE A 153 16.051 -9.011 -11.630 1.00 15.00 A H +ATOM 1110 HG23 ILE A 153 16.737 -8.139 -10.260 1.00 15.00 A H +ATOM 1111 CD1 ILE A 153 16.685 -8.905 -7.693 1.00 15.00 A C +ATOM 1112 HD11 ILE A 153 16.611 -8.844 -6.618 1.00 15.00 A H +ATOM 1113 HD12 ILE A 153 17.075 -7.975 -8.080 1.00 15.00 A H +ATOM 1114 HD13 ILE A 153 17.351 -9.713 -7.962 1.00 15.00 A H +ATOM 1115 C ILE A 153 13.617 -11.478 -9.364 1.00 15.00 A C +ATOM 1116 O ILE A 153 12.792 -11.396 -8.453 1.00 15.00 A O +ATOM 1117 N PRO A 154 14.211 -12.642 -9.659 1.00 15.00 A N +ATOM 1118 CA PRO A 154 13.885 -13.889 -8.956 1.00 15.00 A C +ATOM 1119 HA PRO A 154 12.816 -14.043 -8.914 1.00 15.00 A H +ATOM 1120 CB PRO A 154 14.521 -14.980 -9.829 1.00 15.00 A C +ATOM 1121 HB1 PRO A 154 13.764 -15.680 -10.141 1.00 15.00 A H +ATOM 1122 HB2 PRO A 154 15.292 -15.490 -9.266 1.00 15.00 A H +ATOM 1123 CG PRO A 154 15.107 -14.295 -11.024 1.00 15.00 A C +ATOM 1124 HG1 PRO A 154 14.444 -14.402 -11.869 1.00 15.00 A H +ATOM 1125 HG2 PRO A 154 16.074 -14.724 -11.251 1.00 15.00 A H +ATOM 1126 CD PRO A 154 15.253 -12.844 -10.672 1.00 15.00 A C +ATOM 1127 HD1 PRO A 154 15.075 -12.224 -11.540 1.00 15.00 A H +ATOM 1128 HD2 PRO A 154 16.234 -12.651 -10.263 1.00 15.00 A H +ATOM 1129 C PRO A 154 14.450 -13.963 -7.542 1.00 15.00 A C +ATOM 1130 O PRO A 154 14.208 -14.934 -6.825 1.00 15.00 A O +ATOM 1131 N HIS A 155 15.187 -12.940 -7.137 1.00 15.00 A N +ATOM 1132 HN HIS A 155 15.320 -12.173 -7.734 1.00 15.00 A H +ATOM 1133 CA HIS A 155 15.803 -12.936 -5.817 1.00 15.00 A C +ATOM 1134 HA HIS A 155 15.786 -13.953 -5.455 1.00 15.00 A H +ATOM 1135 CB HIS A 155 17.265 -12.492 -5.932 1.00 15.00 A C +ATOM 1136 HB1 HIS A 155 17.770 -12.686 -4.996 1.00 15.00 A H +ATOM 1137 HB2 HIS A 155 17.296 -11.430 -6.147 1.00 15.00 A H +ATOM 1138 CG HIS A 155 18.011 -13.211 -7.026 1.00 15.00 A C +ATOM 1139 ND1 HIS A 155 17.851 -14.551 -7.306 1.00 15.00 A N +ATOM 1140 HD1 HIS A 155 17.275 -15.177 -6.819 1.00 15.00 A H +ATOM 1141 CD2 HIS A 155 18.897 -12.741 -7.938 1.00 15.00 A C +ATOM 1142 HD2 HIS A 155 19.249 -11.721 -8.017 1.00 15.00 A H +ATOM 1143 CE1 HIS A 155 18.625 -14.844 -8.356 1.00 15.00 A C +ATOM 1144 HE1 HIS A 155 18.702 -15.826 -8.804 1.00 15.00 A H +ATOM 1145 NE2 HIS A 155 19.283 -13.779 -8.778 1.00 15.00 A N +ATOM 1146 C HIS A 155 15.022 -12.066 -4.828 1.00 15.00 A C +ATOM 1147 O HIS A 155 15.451 -11.873 -3.690 1.00 15.00 A O +ATOM 1148 N ARG A 156 13.871 -11.545 -5.265 1.00 15.00 A N +ATOM 1149 HN ARG A 156 13.592 -11.706 -6.191 1.00 15.00 A H +ATOM 1150 CA ARG A 156 13.028 -10.730 -4.390 1.00 15.00 A C +ATOM 1151 HA ARG A 156 13.678 -10.115 -3.786 1.00 15.00 A H +ATOM 1152 CB ARG A 156 12.082 -9.827 -5.192 1.00 15.00 A C +ATOM 1153 HB1 ARG A 156 11.472 -9.264 -4.501 1.00 15.00 A H +ATOM 1154 HB2 ARG A 156 11.437 -10.448 -5.798 1.00 15.00 A H +ATOM 1155 CG ARG A 156 12.790 -8.844 -6.106 1.00 15.00 A C +ATOM 1156 HG1 ARG A 156 12.900 -9.298 -7.081 1.00 15.00 A H +ATOM 1157 HG2 ARG A 156 13.764 -8.626 -5.699 1.00 15.00 A H +ATOM 1158 CD ARG A 156 12.014 -7.542 -6.260 1.00 15.00 A C +ATOM 1159 HD1 ARG A 156 10.983 -7.777 -6.483 1.00 15.00 A H +ATOM 1160 HD2 ARG A 156 12.438 -6.987 -7.082 1.00 15.00 A H +ATOM 1161 NE ARG A 156 12.060 -6.700 -5.064 1.00 15.00 A N +ATOM 1162 HE ARG A 156 12.625 -6.994 -4.319 1.00 15.00 A H +ATOM 1163 CZ ARG A 156 11.372 -5.565 -4.943 1.00 15.00 A C +ATOM 1164 NH1 ARG A 156 10.593 -5.152 -5.931 1.00 15.00 A N +ATOM 1165 HH11 ARG A 156 10.516 -5.716 -6.801 1.00 15.00 A H +ATOM 1166 HH12 ARG A 156 10.054 -4.267 -5.835 1.00 15.00 A H +ATOM 1167 NH2 ARG A 156 11.484 -4.823 -3.852 1.00 15.00 A N +ATOM 1168 HH21 ARG A 156 10.942 -3.938 -3.765 1.00 15.00 A H +ATOM 1169 HH22 ARG A 156 12.109 -5.126 -3.078 1.00 15.00 A H +ATOM 1170 C ARG A 156 12.212 -11.628 -3.468 1.00 15.00 A C +ATOM 1171 O ARG A 156 11.553 -12.560 -3.927 1.00 15.00 A O +ATOM 1172 N THR A 157 12.269 -11.349 -2.171 1.00 15.00 A N +ATOM 1173 HN THR A 157 12.813 -10.593 -1.870 1.00 15.00 A H +ATOM 1174 CA THR A 157 11.541 -12.139 -1.183 1.00 15.00 A C +ATOM 1175 HA THR A 157 10.823 -12.752 -1.708 1.00 15.00 A H +ATOM 1176 CB THR A 157 12.484 -13.069 -0.391 1.00 15.00 A C +ATOM 1177 HB THR A 157 11.919 -13.532 0.405 1.00 15.00 A H +ATOM 1178 OG1 THR A 157 13.554 -12.310 0.186 1.00 15.00 A O +ATOM 1179 HG1 THR A 157 14.153 -12.023 -0.505 1.00 15.00 A H +ATOM 1180 CG2 THR A 157 13.054 -14.170 -1.282 1.00 15.00 A C +ATOM 1181 HG21 THR A 157 12.376 -15.009 -1.299 1.00 15.00 A H +ATOM 1182 HG22 THR A 157 14.012 -14.488 -0.896 1.00 15.00 A H +ATOM 1183 HG23 THR A 157 13.181 -13.792 -2.286 1.00 15.00 A H +ATOM 1184 C THR A 157 10.800 -11.238 -0.203 1.00 15.00 A C +ATOM 1185 O THR A 157 11.186 -10.091 0.010 1.00 15.00 A O +ATOM 1186 N LEU A 158 9.732 -11.760 0.387 1.00 15.00 A N +ATOM 1187 HN LEU A 158 9.464 -12.679 0.170 1.00 15.00 A H +ATOM 1188 CA LEU A 158 8.948 -10.996 1.347 1.00 15.00 A C +ATOM 1189 HA LEU A 158 8.943 -9.969 1.018 1.00 15.00 A H +ATOM 1190 CB LEU A 158 7.507 -11.503 1.408 1.00 15.00 A C +ATOM 1191 HB1 LEU A 158 7.524 -12.539 1.711 1.00 15.00 A H +ATOM 1192 HB2 LEU A 158 7.084 -11.440 0.418 1.00 15.00 A H +ATOM 1193 CG LEU A 158 6.594 -10.735 2.374 1.00 15.00 A C +ATOM 1194 HG LEU A 158 6.994 -10.815 3.375 1.00 15.00 A H +ATOM 1195 CD1 LEU A 158 6.545 -9.260 2.006 1.00 15.00 A C +ATOM 1196 HD11 LEU A 158 6.544 -9.161 0.932 1.00 15.00 A H +ATOM 1197 HD12 LEU A 158 7.408 -8.756 2.415 1.00 15.00 A H +ATOM 1198 HD13 LEU A 158 5.645 -8.817 2.408 1.00 15.00 A H +ATOM 1199 CD2 LEU A 158 5.197 -11.330 2.371 1.00 15.00 A C +ATOM 1200 HD21 LEU A 158 4.770 -11.235 1.386 1.00 15.00 A H +ATOM 1201 HD22 LEU A 158 4.580 -10.802 3.085 1.00 15.00 A H +ATOM 1202 HD23 LEU A 158 5.248 -12.373 2.643 1.00 15.00 A H +ATOM 1203 C LEU A 158 9.567 -11.059 2.733 1.00 15.00 A C +ATOM 1204 O LEU A 158 9.671 -12.127 3.335 1.00 15.00 A O +ATOM 1205 N LEU A 159 9.980 -9.904 3.231 1.00 15.00 A N +ATOM 1206 HN LEU A 159 9.887 -9.091 2.690 1.00 15.00 A H +ATOM 1207 CA LEU A 159 10.572 -9.817 4.553 1.00 15.00 A C +ATOM 1208 HA LEU A 159 11.030 -10.770 4.768 1.00 15.00 A H +ATOM 1209 CB LEU A 159 11.652 -8.731 4.578 1.00 15.00 A C +ATOM 1210 HB1 LEU A 159 12.103 -8.723 5.557 1.00 15.00 A H +ATOM 1211 HB2 LEU A 159 11.180 -7.772 4.405 1.00 15.00 A H +ATOM 1212 CG LEU A 159 12.764 -8.918 3.538 1.00 15.00 A C +ATOM 1213 HG LEU A 159 12.316 -9.004 2.558 1.00 15.00 A H +ATOM 1214 CD1 LEU A 159 13.697 -7.721 3.520 1.00 15.00 A C +ATOM 1215 HD11 LEU A 159 14.293 -7.744 2.618 1.00 15.00 A H +ATOM 1216 HD12 LEU A 159 14.347 -7.756 4.379 1.00 15.00 A H +ATOM 1217 HD13 LEU A 159 13.117 -6.811 3.542 1.00 15.00 A H +ATOM 1218 CD2 LEU A 159 13.538 -10.203 3.810 1.00 15.00 A C +ATOM 1219 HD21 LEU A 159 14.477 -10.178 3.280 1.00 15.00 A H +ATOM 1220 HD22 LEU A 159 12.957 -11.049 3.474 1.00 15.00 A H +ATOM 1221 HD23 LEU A 159 13.724 -10.293 4.870 1.00 15.00 A H +ATOM 1222 C LEU A 159 9.491 -9.551 5.595 1.00 15.00 A C +ATOM 1223 O LEU A 159 8.456 -8.951 5.291 1.00 15.00 A O +ATOM 1224 N MET A 160 9.723 -10.025 6.816 1.00 15.00 A N +ATOM 1225 HN MET A 160 10.557 -10.509 6.989 1.00 15.00 A H +ATOM 1226 CA MET A 160 8.757 -9.859 7.893 1.00 15.00 A C +ATOM 1227 HA MET A 160 8.208 -8.953 7.714 1.00 15.00 A H +ATOM 1228 CB MET A 160 7.780 -11.037 7.882 1.00 15.00 A C +ATOM 1229 HB1 MET A 160 8.321 -11.937 8.127 1.00 15.00 A H +ATOM 1230 HB2 MET A 160 7.375 -11.130 6.887 1.00 15.00 A H +ATOM 1231 CG MET A 160 6.618 -10.896 8.855 1.00 15.00 A C +ATOM 1232 HG1 MET A 160 5.945 -10.141 8.478 1.00 15.00 A H +ATOM 1233 HG2 MET A 160 7.006 -10.585 9.815 1.00 15.00 A H +ATOM 1234 SD MET A 160 5.692 -12.432 9.076 1.00 15.00 A S +ATOM 1235 CE MET A 160 4.369 -11.867 10.142 1.00 15.00 A C +ATOM 1236 HE1 MET A 160 3.576 -11.450 9.541 1.00 15.00 A H +ATOM 1237 HE2 MET A 160 4.749 -11.107 10.810 1.00 15.00 A H +ATOM 1238 HE3 MET A 160 3.989 -12.695 10.717 1.00 15.00 A H +ATOM 1239 C MET A 160 9.439 -9.757 9.253 1.00 15.00 A C +ATOM 1240 O MET A 160 10.183 -10.651 9.662 1.00 15.00 A O +ATOM 1241 N ASN A 161 9.164 -8.661 9.944 1.00 15.00 A N +ATOM 1242 HN ASN A 161 8.563 -7.992 9.551 1.00 15.00 A H +ATOM 1243 CA ASN A 161 9.722 -8.407 11.265 1.00 15.00 A C +ATOM 1244 HA ASN A 161 9.984 -9.351 11.717 1.00 15.00 A H +ATOM 1245 CB ASN A 161 10.965 -7.513 11.165 1.00 15.00 A C +ATOM 1246 HB1 ASN A 161 11.079 -6.984 12.099 1.00 15.00 A H +ATOM 1247 HB2 ASN A 161 10.813 -6.796 10.373 1.00 15.00 A H +ATOM 1248 CG ASN A 161 12.256 -8.257 10.883 1.00 15.00 A C +ATOM 1249 OD1 ASN A 161 13.156 -7.718 10.248 1.00 15.00 A O +ATOM 1250 ND2 ASN A 161 12.358 -9.497 11.339 1.00 15.00 A N +ATOM 1251 HD21 ASN A 161 11.593 -9.879 11.812 1.00 15.00 A H +ATOM 1252 HD22 ASN A 161 13.210 -9.960 11.230 1.00 15.00 A H +ATOM 1253 C ASN A 161 8.688 -7.694 12.125 1.00 15.00 A C +ATOM 1254 O ASN A 161 7.652 -7.275 11.619 1.00 15.00 A O +ATOM 1255 N GLU A 162 8.955 -7.569 13.425 1.00 15.00 A N +ATOM 1256 HN GLU A 162 9.766 -7.977 13.794 1.00 15.00 A H +ATOM 1257 CA GLU A 162 8.049 -6.838 14.307 1.00 15.00 A C +ATOM 1258 HA GLU A 162 7.042 -7.182 14.113 1.00 15.00 A H +ATOM 1259 CB GLU A 162 8.391 -7.060 15.788 1.00 15.00 A C +ATOM 1260 HB1 GLU A 162 7.910 -6.286 16.371 1.00 15.00 A H +ATOM 1261 HB2 GLU A 162 9.461 -6.979 15.917 1.00 15.00 A H +ATOM 1262 CG GLU A 162 7.953 -8.405 16.349 1.00 15.00 A C +ATOM 1263 HG1 GLU A 162 8.667 -9.160 16.047 1.00 15.00 A H +ATOM 1264 HG2 GLU A 162 6.978 -8.651 15.958 1.00 15.00 A H +ATOM 1265 CD GLU A 162 7.878 -8.394 17.866 1.00 15.00 A C +ATOM 1266 OE1 GLU A 162 7.162 -7.533 18.419 1.00 15.00 A O +ATOM 1267 OE2 GLU A 162 8.535 -9.246 18.504 1.00 15.00 A O +ATOM 1268 C GLU A 162 8.145 -5.353 13.964 1.00 15.00 A C +ATOM 1269 O GLU A 162 9.217 -4.881 13.589 1.00 15.00 A O +ATOM 1270 N LEU A 163 7.038 -4.621 14.067 1.00 15.00 A N +ATOM 1271 HN LEU A 163 6.202 -5.050 14.357 1.00 15.00 A H +ATOM 1272 CA LEU A 163 7.041 -3.191 13.745 1.00 15.00 A C +ATOM 1273 HA LEU A 163 7.368 -3.095 12.722 1.00 15.00 A H +ATOM 1274 CB LEU A 163 5.633 -2.593 13.864 1.00 15.00 A C +ATOM 1275 HB1 LEU A 163 5.284 -2.724 14.879 1.00 15.00 A H +ATOM 1276 HB2 LEU A 163 4.975 -3.139 13.202 1.00 15.00 A H +ATOM 1277 CG LEU A 163 5.537 -1.105 13.513 1.00 15.00 A C +ATOM 1278 HG LEU A 163 6.230 -0.551 14.129 1.00 15.00 A H +ATOM 1279 CD1 LEU A 163 5.906 -0.865 12.057 1.00 15.00 A C +ATOM 1280 HD11 LEU A 163 5.346 -1.543 11.429 1.00 15.00 A H +ATOM 1281 HD12 LEU A 163 6.962 -1.037 11.920 1.00 15.00 A H +ATOM 1282 HD13 LEU A 163 5.667 0.154 11.789 1.00 15.00 A H +ATOM 1283 CD2 LEU A 163 4.142 -0.579 13.788 1.00 15.00 A C +ATOM 1284 HD21 LEU A 163 4.133 0.495 13.671 1.00 15.00 A H +ATOM 1285 HD22 LEU A 163 3.851 -0.836 14.796 1.00 15.00 A H +ATOM 1286 HD23 LEU A 163 3.448 -1.021 13.090 1.00 15.00 A H +ATOM 1287 C LEU A 163 8.023 -2.424 14.637 1.00 15.00 A C +ATOM 1288 O LEU A 163 7.789 -2.245 15.833 1.00 15.00 A O +ATOM 1289 N GLY A 164 9.124 -1.981 14.036 1.00 15.00 A N +ATOM 1290 HN GLY A 164 9.251 -2.155 13.078 1.00 15.00 A H +ATOM 1291 CA GLY A 164 10.138 -1.248 14.774 1.00 15.00 A C +ATOM 1292 HA1 GLY A 164 9.941 -1.340 15.830 1.00 15.00 A H +ATOM 1293 HA2 GLY A 164 10.091 -0.205 14.498 1.00 15.00 A H +ATOM 1294 C GLY A 164 11.531 -1.768 14.487 1.00 15.00 A C +ATOM 1295 O GLY A 164 12.455 -0.990 14.256 1.00 15.00 A O +ATOM 1296 N VAL A 165 11.680 -3.089 14.519 1.00 15.00 A N +ATOM 1297 HN VAL A 165 10.909 -3.649 14.749 1.00 15.00 A H +ATOM 1298 CA VAL A 165 12.965 -3.719 14.244 1.00 15.00 A C +ATOM 1299 HA VAL A 165 13.723 -3.105 14.710 1.00 15.00 A H +ATOM 1300 CB VAL A 165 13.052 -5.148 14.874 1.00 15.00 A C +ATOM 1301 HB VAL A 165 13.733 -5.091 15.711 1.00 15.00 A H +ATOM 1302 CG1 VAL A 165 11.703 -5.596 15.411 1.00 15.00 A C +ATOM 1303 HG11 VAL A 165 11.822 -6.522 15.955 1.00 15.00 A H +ATOM 1304 HG12 VAL A 165 11.020 -5.747 14.589 1.00 15.00 A H +ATOM 1305 HG13 VAL A 165 11.309 -4.839 16.073 1.00 15.00 A H +ATOM 1306 CG2 VAL A 165 13.599 -6.188 13.903 1.00 15.00 A C +ATOM 1307 HG21 VAL A 165 14.605 -5.923 13.616 1.00 15.00 A H +ATOM 1308 HG22 VAL A 165 12.972 -6.228 13.026 1.00 15.00 A H +ATOM 1309 HG23 VAL A 165 13.607 -7.155 14.385 1.00 15.00 A H +ATOM 1310 C VAL A 165 13.233 -3.731 12.735 1.00 15.00 A C +ATOM 1311 O VAL A 165 12.429 -4.240 11.947 1.00 15.00 A O +ATOM 1312 N PRO A 166 14.353 -3.115 12.319 1.00 15.00 A N +ATOM 1313 CA PRO A 166 14.729 -3.028 10.908 1.00 15.00 A C +ATOM 1314 HA PRO A 166 13.942 -2.576 10.325 1.00 15.00 A H +ATOM 1315 CB PRO A 166 15.953 -2.112 10.909 1.00 15.00 A C +ATOM 1316 HB1 PRO A 166 15.657 -1.101 10.686 1.00 15.00 A H +ATOM 1317 HB2 PRO A 166 16.674 -2.468 10.182 1.00 15.00 A H +ATOM 1318 CG PRO A 166 16.506 -2.190 12.286 1.00 15.00 A C +ATOM 1319 HG1 PRO A 166 16.968 -1.252 12.550 1.00 15.00 A H +ATOM 1320 HG2 PRO A 166 17.226 -2.997 12.349 1.00 15.00 A H +ATOM 1321 CD PRO A 166 15.339 -2.456 13.196 1.00 15.00 A C +ATOM 1322 HD1 PRO A 166 14.947 -1.529 13.587 1.00 15.00 A H +ATOM 1323 HD2 PRO A 166 15.634 -3.111 14.003 1.00 15.00 A H +ATOM 1324 C PRO A 166 15.078 -4.379 10.306 1.00 15.00 A C +ATOM 1325 O PRO A 166 15.213 -5.378 11.013 1.00 15.00 A O +ATOM 1326 N PHE A 167 15.211 -4.394 8.991 1.00 15.00 A N +ATOM 1327 HN PHE A 167 15.083 -3.564 8.487 1.00 15.00 A H +ATOM 1328 CA PHE A 167 15.528 -5.615 8.277 1.00 15.00 A C +ATOM 1329 HA PHE A 167 15.005 -6.423 8.772 1.00 15.00 A H +ATOM 1330 CB PHE A 167 15.018 -5.524 6.834 1.00 15.00 A C +ATOM 1331 HB1 PHE A 167 15.268 -6.429 6.307 1.00 15.00 A H +ATOM 1332 HB2 PHE A 167 15.492 -4.687 6.343 1.00 15.00 A H +ATOM 1333 CG PHE A 167 13.524 -5.332 6.758 1.00 15.00 A C +ATOM 1334 CD1 PHE A 167 12.677 -6.215 7.411 1.00 15.00 A C +ATOM 1335 HD1 PHE A 167 13.097 -7.054 7.946 1.00 15.00 A H +ATOM 1336 CD2 PHE A 167 12.973 -4.262 6.070 1.00 15.00 A C +ATOM 1337 HD2 PHE A 167 13.620 -3.572 5.552 1.00 15.00 A H +ATOM 1338 CE1 PHE A 167 11.307 -6.038 7.378 1.00 15.00 A C +ATOM 1339 HE1 PHE A 167 10.662 -6.730 7.891 1.00 15.00 A H +ATOM 1340 CE2 PHE A 167 11.600 -4.086 6.029 1.00 15.00 A C +ATOM 1341 HE2 PHE A 167 11.178 -3.253 5.479 1.00 15.00 A H +ATOM 1342 CZ PHE A 167 10.766 -4.974 6.686 1.00 15.00 A C +ATOM 1343 HZ PHE A 167 9.694 -4.833 6.654 1.00 15.00 A H +ATOM 1344 C PHE A 167 17.027 -5.922 8.312 1.00 15.00 A C +ATOM 1345 O PHE A 167 17.777 -5.528 7.422 1.00 15.00 A O +ATOM 1346 N HIS A 168 17.451 -6.617 9.368 1.00 15.00 A N +ATOM 1347 HN HIS A 168 16.799 -6.870 10.061 1.00 15.00 A H +ATOM 1348 CA HIS A 168 18.845 -7.016 9.525 1.00 15.00 A C +ATOM 1349 HA HIS A 168 19.452 -6.288 9.006 1.00 15.00 A H +ATOM 1350 CB HIS A 168 19.249 -7.050 11.010 1.00 15.00 A C +ATOM 1351 HB1 HIS A 168 19.311 -6.039 11.379 1.00 15.00 A H +ATOM 1352 HB2 HIS A 168 20.217 -7.511 11.094 1.00 15.00 A H +ATOM 1353 CG HIS A 168 18.312 -7.806 11.912 1.00 15.00 A C +ATOM 1354 ND1 HIS A 168 18.671 -9.007 12.476 1.00 15.00 A N +ATOM 1355 CD2 HIS A 168 17.059 -7.483 12.326 1.00 15.00 A C +ATOM 1356 HD2 HIS A 168 16.495 -6.593 12.065 1.00 15.00 A H +ATOM 1357 CE1 HIS A 168 17.644 -9.382 13.217 1.00 15.00 A C +ATOM 1358 HE1 HIS A 168 17.615 -10.289 13.801 1.00 15.00 A H +ATOM 1359 NE2 HIS A 168 16.646 -8.491 13.156 1.00 15.00 A N +ATOM 1360 HE2 HIS A 168 15.780 -8.552 13.612 1.00 15.00 A H +ATOM 1361 C HIS A 168 19.061 -8.377 8.869 1.00 15.00 A C +ATOM 1362 O HIS A 168 18.156 -8.906 8.226 1.00 15.00 A O +ATOM 1363 N LEU A 169 20.248 -8.951 9.027 1.00 15.00 A N +ATOM 1364 HN LEU A 169 20.936 -8.504 9.564 1.00 15.00 A H +ATOM 1365 CA LEU A 169 20.534 -10.248 8.416 1.00 15.00 A C +ATOM 1366 HA LEU A 169 20.201 -10.192 7.390 1.00 15.00 A H +ATOM 1367 CB LEU A 169 22.039 -10.527 8.416 1.00 15.00 A C +ATOM 1368 HB1 LEU A 169 22.188 -11.593 8.338 1.00 15.00 A H +ATOM 1369 HB2 LEU A 169 22.453 -10.184 9.356 1.00 15.00 A H +ATOM 1370 CG LEU A 169 22.808 -9.850 7.273 1.00 15.00 A C +ATOM 1371 HG LEU A 169 22.653 -8.783 7.327 1.00 15.00 A H +ATOM 1372 CD1 LEU A 169 24.302 -10.113 7.393 1.00 15.00 A C +ATOM 1373 HD11 LEU A 169 24.638 -9.838 8.381 1.00 15.00 A H +ATOM 1374 HD12 LEU A 169 24.830 -9.522 6.657 1.00 15.00 A H +ATOM 1375 HD13 LEU A 169 24.501 -11.159 7.222 1.00 15.00 A H +ATOM 1376 CD2 LEU A 169 22.282 -10.333 5.926 1.00 15.00 A C +ATOM 1377 HD21 LEU A 169 21.426 -9.743 5.641 1.00 15.00 A H +ATOM 1378 HD22 LEU A 169 21.991 -11.371 6.006 1.00 15.00 A H +ATOM 1379 HD23 LEU A 169 23.056 -10.235 5.178 1.00 15.00 A H +ATOM 1380 C LEU A 169 19.760 -11.376 9.098 1.00 15.00 A C +ATOM 1381 O LEU A 169 19.693 -12.490 8.585 1.00 15.00 A O +ATOM 1382 N GLY A 170 19.175 -11.077 10.254 1.00 15.00 A N +ATOM 1383 HN GLY A 170 19.285 -10.176 10.630 1.00 15.00 A H +ATOM 1384 CA GLY A 170 18.399 -12.070 10.974 1.00 15.00 A C +ATOM 1385 HA1 GLY A 170 18.505 -11.892 12.034 1.00 15.00 A H +ATOM 1386 HA2 GLY A 170 18.792 -13.049 10.747 1.00 15.00 A H +ATOM 1387 C GLY A 170 16.916 -12.039 10.615 1.00 15.00 A C +ATOM 1388 O GLY A 170 16.112 -12.729 11.244 1.00 15.00 A O +ATOM 1389 N THR A 171 16.551 -11.235 9.610 1.00 15.00 A N +ATOM 1390 HN THR A 171 17.233 -10.696 9.155 1.00 15.00 A H +ATOM 1391 CA THR A 171 15.156 -11.135 9.176 1.00 15.00 A C +ATOM 1392 HA THR A 171 14.546 -11.032 10.058 1.00 15.00 A H +ATOM 1393 CB THR A 171 14.935 -9.888 8.286 1.00 15.00 A C +ATOM 1394 HB THR A 171 15.550 -9.983 7.403 1.00 15.00 A H +ATOM 1395 OG1 THR A 171 15.325 -8.713 9.001 1.00 15.00 A O +ATOM 1396 HG1 THR A 171 14.817 -8.647 9.813 1.00 15.00 A H +ATOM 1397 CG2 THR A 171 13.477 -9.760 7.854 1.00 15.00 A C +ATOM 1398 HG21 THR A 171 13.142 -10.698 7.438 1.00 15.00 A H +ATOM 1399 HG22 THR A 171 13.388 -8.986 7.108 1.00 15.00 A H +ATOM 1400 HG23 THR A 171 12.869 -9.509 8.711 1.00 15.00 A H +ATOM 1401 C THR A 171 14.721 -12.401 8.432 1.00 15.00 A C +ATOM 1402 O THR A 171 15.538 -13.065 7.788 1.00 15.00 A O +ATOM 1403 N ARG A 172 13.430 -12.733 8.535 1.00 15.00 A N +ATOM 1404 HN ARG A 172 12.826 -12.142 9.032 1.00 15.00 A H +ATOM 1405 CA ARG A 172 12.893 -13.931 7.893 1.00 15.00 A C +ATOM 1406 HA ARG A 172 13.710 -14.629 7.780 1.00 15.00 A H +ATOM 1407 CB ARG A 172 11.811 -14.596 8.767 1.00 15.00 A C +ATOM 1408 HB1 ARG A 172 10.995 -13.902 8.910 1.00 15.00 A H +ATOM 1409 HB2 ARG A 172 12.233 -14.835 9.738 1.00 15.00 A H +ATOM 1410 CG ARG A 172 11.251 -15.877 8.157 1.00 15.00 A C +ATOM 1411 HG1 ARG A 172 12.071 -16.549 7.951 1.00 15.00 A H +ATOM 1412 HG2 ARG A 172 10.748 -15.628 7.236 1.00 15.00 A H +ATOM 1413 CD ARG A 172 10.264 -16.572 9.081 1.00 15.00 A C +ATOM 1414 HD1 ARG A 172 9.426 -15.913 9.254 1.00 15.00 A H +ATOM 1415 HD2 ARG A 172 10.764 -16.777 10.017 1.00 15.00 A H +ATOM 1416 NE ARG A 172 9.780 -17.841 8.523 1.00 15.00 A N +ATOM 1417 HE ARG A 172 10.406 -18.595 8.524 1.00 15.00 A H +ATOM 1418 CZ ARG A 172 8.554 -18.034 8.023 1.00 15.00 A C +ATOM 1419 NH1 ARG A 172 7.682 -17.037 7.978 1.00 15.00 A N +ATOM 1420 HH11 ARG A 172 7.937 -16.104 8.330 1.00 15.00 A H +ATOM 1421 HH12 ARG A 172 6.741 -17.188 7.577 1.00 15.00 A H +ATOM 1422 NH2 ARG A 172 8.202 -19.231 7.567 1.00 15.00 A N +ATOM 1423 HH21 ARG A 172 8.881 -20.023 7.578 1.00 15.00 A H +ATOM 1424 HH22 ARG A 172 7.240 -19.381 7.194 1.00 15.00 A H +ATOM 1425 C ARG A 172 12.313 -13.638 6.515 1.00 15.00 A C +ATOM 1426 O ARG A 172 11.565 -12.675 6.329 1.00 15.00 A O +ATOM 1427 N GLN A 173 12.683 -14.485 5.552 1.00 15.00 A N +ATOM 1428 HN GLN A 173 13.321 -15.193 5.766 1.00 15.00 A H +ATOM 1429 CA GLN A 173 12.171 -14.384 4.189 1.00 15.00 A C +ATOM 1430 HA GLN A 173 11.795 -13.381 4.047 1.00 15.00 A H +ATOM 1431 CB GLN A 173 13.273 -14.670 3.157 1.00 15.00 A C +ATOM 1432 HB1 GLN A 173 12.876 -14.489 2.169 1.00 15.00 A H +ATOM 1433 HB2 GLN A 173 13.567 -15.706 3.236 1.00 15.00 A H +ATOM 1434 CG GLN A 173 14.515 -13.807 3.329 1.00 15.00 A C +ATOM 1435 HG1 GLN A 173 14.871 -13.908 4.345 1.00 15.00 A H +ATOM 1436 HG2 GLN A 173 14.257 -12.774 3.141 1.00 15.00 A H +ATOM 1437 CD GLN A 173 15.635 -14.206 2.388 1.00 15.00 A C +ATOM 1438 OE1 GLN A 173 15.565 -13.979 1.183 1.00 15.00 A O +ATOM 1439 NE2 GLN A 173 16.690 -14.786 2.942 1.00 15.00 A N +ATOM 1440 HE21 GLN A 173 16.688 -14.917 3.913 1.00 15.00 A H +ATOM 1441 HE22 GLN A 173 17.426 -15.061 2.359 1.00 15.00 A H +ATOM 1442 C GLN A 173 11.008 -15.369 4.041 1.00 15.00 A C +ATOM 1443 O GLN A 173 11.200 -16.543 3.707 1.00 15.00 A O +ATOM 1444 N VAL A 174 9.813 -14.863 4.332 1.00 15.00 A N +ATOM 1445 HN VAL A 174 9.762 -13.915 4.580 1.00 15.00 A H +ATOM 1446 CA VAL A 174 8.567 -15.632 4.307 1.00 15.00 A C +ATOM 1447 HA VAL A 174 8.629 -16.380 5.084 1.00 15.00 A H +ATOM 1448 CB VAL A 174 7.380 -14.699 4.652 1.00 15.00 A C +ATOM 1449 HB VAL A 174 7.325 -13.927 3.900 1.00 15.00 A H +ATOM 1450 CG1 VAL A 174 6.057 -15.451 4.652 1.00 15.00 A C +ATOM 1451 HG11 VAL A 174 5.936 -15.964 3.709 1.00 15.00 A H +ATOM 1452 HG12 VAL A 174 5.244 -14.752 4.787 1.00 15.00 A H +ATOM 1453 HG13 VAL A 174 6.050 -16.172 5.456 1.00 15.00 A H +ATOM 1454 CG2 VAL A 174 7.623 -14.027 6.001 1.00 15.00 A C +ATOM 1455 HG21 VAL A 174 7.806 -14.785 6.751 1.00 15.00 A H +ATOM 1456 HG22 VAL A 174 6.757 -13.446 6.280 1.00 15.00 A H +ATOM 1457 HG23 VAL A 174 8.483 -13.381 5.930 1.00 15.00 A H +ATOM 1458 C VAL A 174 8.307 -16.347 2.973 1.00 15.00 A C +ATOM 1459 O VAL A 174 7.793 -17.468 2.968 1.00 15.00 A O +ATOM 1460 N CYS A 175 8.678 -15.727 1.855 1.00 15.00 A N +ATOM 1461 HN CYS A 175 9.131 -14.859 1.908 1.00 15.00 A H +ATOM 1462 CA CYS A 175 8.437 -16.341 0.547 1.00 15.00 A C +ATOM 1463 HA CYS A 175 8.819 -17.349 0.571 1.00 15.00 A H +ATOM 1464 HB1 CYS A 175 6.447 -16.946 1.054 1.00 15.00 A H +ATOM 1465 HB2 CYS A 175 6.768 -16.880 -0.675 1.00 15.00 A H +ATOM 1466 C CYS A 175 9.102 -15.579 -0.590 1.00 15.00 A C +ATOM 1467 O CYS A 175 9.612 -14.479 -0.403 1.00 15.00 A O +ATOM 1468 CB CYS A 175 6.936 -16.388 0.270 1.00 15.00 A C +ATOM 1469 SG CYS A 175 6.156 -14.746 0.183 1.00 15.00 A S +ATOM 1470 N ILE A 176 9.071 -16.180 -1.776 1.00 15.00 A N +ATOM 1471 HN ILE A 176 8.657 -17.068 -1.848 1.00 15.00 A H +ATOM 1472 CA ILE A 176 9.620 -15.557 -2.973 1.00 15.00 A C +ATOM 1473 HA ILE A 176 10.464 -14.945 -2.695 1.00 15.00 A H +ATOM 1474 CB ILE A 176 10.067 -16.601 -4.018 1.00 15.00 A C +ATOM 1475 HB ILE A 176 9.179 -17.001 -4.486 1.00 15.00 A H +ATOM 1476 CG1 ILE A 176 10.842 -17.754 -3.369 1.00 15.00 A C +ATOM 1477 HG11 ILE A 176 10.200 -18.260 -2.664 1.00 15.00 A H +ATOM 1478 HG12 ILE A 176 11.703 -17.361 -2.849 1.00 15.00 A H +ATOM 1479 CG2 ILE A 176 10.898 -15.936 -5.104 1.00 15.00 A C +ATOM 1480 HG21 ILE A 176 10.916 -16.567 -5.982 1.00 15.00 A H +ATOM 1481 HG22 ILE A 176 11.906 -15.784 -4.751 1.00 15.00 A H +ATOM 1482 HG23 ILE A 176 10.458 -14.982 -5.357 1.00 15.00 A H +ATOM 1483 CD1 ILE A 176 11.329 -18.781 -4.373 1.00 15.00 A C +ATOM 1484 HD11 ILE A 176 11.755 -19.622 -3.848 1.00 15.00 A H +ATOM 1485 HD12 ILE A 176 12.078 -18.334 -5.007 1.00 15.00 A H +ATOM 1486 HD13 ILE A 176 10.498 -19.116 -4.978 1.00 15.00 A H +ATOM 1487 C ILE A 176 8.535 -14.692 -3.607 1.00 15.00 A C +ATOM 1488 O ILE A 176 7.454 -15.201 -3.904 1.00 15.00 A O +ATOM 1489 N ALA A 177 8.804 -13.395 -3.820 1.00 15.00 A N +ATOM 1490 HN ALA A 177 9.681 -13.032 -3.573 1.00 15.00 A H +ATOM 1491 CA ALA A 177 7.785 -12.512 -4.403 1.00 15.00 A C +ATOM 1492 HA ALA A 177 7.364 -13.003 -5.264 1.00 15.00 A H +ATOM 1493 CB ALA A 177 6.663 -12.320 -3.389 1.00 15.00 A C +ATOM 1494 HB1 ALA A 177 6.683 -11.306 -3.018 1.00 15.00 A H +ATOM 1495 HB2 ALA A 177 6.805 -13.003 -2.566 1.00 15.00 A H +ATOM 1496 HB3 ALA A 177 5.712 -12.517 -3.859 1.00 15.00 A H +ATOM 1497 C ALA A 177 8.297 -11.128 -4.806 1.00 15.00 A C +ATOM 1498 O ALA A 177 9.134 -10.539 -4.120 1.00 15.00 A O +ATOM 1499 N TRP A 178 7.781 -10.621 -5.934 1.00 15.00 A N +ATOM 1500 HN TRP A 178 7.193 -11.183 -6.477 1.00 15.00 A H +ATOM 1501 CA TRP A 178 8.080 -9.259 -6.381 1.00 15.00 A C +ATOM 1502 HA TRP A 178 8.729 -8.832 -5.632 1.00 15.00 A H +ATOM 1503 CB TRP A 178 8.790 -9.178 -7.757 1.00 15.00 A C +ATOM 1504 HB1 TRP A 178 9.853 -9.319 -7.593 1.00 15.00 A H +ATOM 1505 HB2 TRP A 178 8.636 -8.192 -8.161 1.00 15.00 A H +ATOM 1506 CG TRP A 178 8.362 -10.166 -8.816 1.00 15.00 A C +ATOM 1507 CD1 TRP A 178 9.103 -11.215 -9.295 1.00 15.00 A C +ATOM 1508 HD1 TRP A 178 10.099 -11.460 -8.954 1.00 15.00 A H +ATOM 1509 CD2 TRP A 178 7.123 -10.189 -9.541 1.00 15.00 A C +ATOM 1510 NE1 TRP A 178 8.416 -11.867 -10.291 1.00 15.00 A N +ATOM 1511 HE1 TRP A 178 8.743 -12.637 -10.804 1.00 15.00 A H +ATOM 1512 CE2 TRP A 178 7.189 -11.269 -10.444 1.00 15.00 A C +ATOM 1513 CE3 TRP A 178 5.975 -9.409 -9.509 1.00 15.00 A C +ATOM 1514 HE3 TRP A 178 5.894 -8.573 -8.842 1.00 15.00 A H +ATOM 1515 CZ2 TRP A 178 6.139 -11.576 -11.317 1.00 15.00 A C +ATOM 1516 HZ2 TRP A 178 6.198 -12.399 -12.022 1.00 15.00 A H +ATOM 1517 CZ3 TRP A 178 4.938 -9.709 -10.369 1.00 15.00 A C +ATOM 1518 HZ3 TRP A 178 4.039 -9.110 -10.361 1.00 15.00 A H +ATOM 1519 CH2 TRP A 178 5.023 -10.789 -11.262 1.00 15.00 A C +ATOM 1520 HH2 TRP A 178 4.187 -10.979 -11.927 1.00 15.00 A H +ATOM 1521 C TRP A 178 6.775 -8.453 -6.362 1.00 15.00 A C +ATOM 1522 O TRP A 178 6.662 -7.372 -6.947 1.00 15.00 A O +ATOM 1523 N SER A 179 5.807 -9.027 -5.645 1.00 15.00 A N +ATOM 1524 HN SER A 179 6.004 -9.893 -5.234 1.00 15.00 A H +ATOM 1525 CA SER A 179 4.475 -8.469 -5.430 1.00 15.00 A C +ATOM 1526 HA SER A 179 4.578 -7.457 -5.065 1.00 15.00 A H +ATOM 1527 CB SER A 179 3.645 -8.487 -6.716 1.00 15.00 A C +ATOM 1528 HB1 SER A 179 3.322 -9.497 -6.915 1.00 15.00 A H +ATOM 1529 HB2 SER A 179 4.247 -8.130 -7.540 1.00 15.00 A H +ATOM 1530 OG SER A 179 2.499 -7.661 -6.596 1.00 15.00 A O +ATOM 1531 HG SER A 179 2.757 -6.739 -6.685 1.00 15.00 A H +ATOM 1532 C SER A 179 3.808 -9.330 -4.367 1.00 15.00 A C +ATOM 1533 O SER A 179 3.724 -10.546 -4.534 1.00 15.00 A O +ATOM 1534 N SER A 180 3.346 -8.726 -3.273 1.00 15.00 A N +ATOM 1535 HN SER A 180 3.396 -7.748 -3.201 1.00 15.00 A H +ATOM 1536 CA SER A 180 2.754 -9.513 -2.191 1.00 15.00 A C +ATOM 1537 HA SER A 180 2.405 -10.442 -2.615 1.00 15.00 A H +ATOM 1538 CB SER A 180 3.831 -9.830 -1.158 1.00 15.00 A C +ATOM 1539 HB1 SER A 180 4.673 -10.295 -1.649 1.00 15.00 A H +ATOM 1540 HB2 SER A 180 3.429 -10.502 -0.417 1.00 15.00 A H +ATOM 1541 OG SER A 180 4.276 -8.648 -0.510 1.00 15.00 A O +ATOM 1542 HG SER A 180 3.975 -7.877 -1.001 1.00 15.00 A H +ATOM 1543 C SER A 180 1.580 -8.819 -1.493 1.00 15.00 A C +ATOM 1544 O SER A 180 1.242 -7.672 -1.781 1.00 15.00 A O +ATOM 1545 N SER A 181 0.983 -9.558 -0.550 1.00 15.00 A N +ATOM 1546 HN SER A 181 1.328 -10.461 -0.384 1.00 15.00 A H +ATOM 1547 CA SER A 181 -0.151 -9.099 0.246 1.00 15.00 A C +ATOM 1548 HA SER A 181 0.072 -8.111 0.617 1.00 15.00 A H +ATOM 1549 CB SER A 181 -1.418 -9.046 -0.620 1.00 15.00 A C +ATOM 1550 HB1 SER A 181 -1.591 -10.015 -1.063 1.00 15.00 A H +ATOM 1551 HB2 SER A 181 -1.282 -8.314 -1.402 1.00 15.00 A H +ATOM 1552 OG SER A 181 -2.552 -8.683 0.146 1.00 15.00 A O +ATOM 1553 HG SER A 181 -3.202 -8.264 -0.423 1.00 15.00 A H +ATOM 1554 C SER A 181 -0.349 -10.044 1.435 1.00 15.00 A C +ATOM 1555 O SER A 181 -0.626 -11.230 1.247 1.00 15.00 A O +ATOM 1556 N SER A 182 -0.201 -9.527 2.659 1.00 15.00 A N +ATOM 1557 HN SER A 182 -0.016 -8.571 2.759 1.00 15.00 A H +ATOM 1558 CA SER A 182 -0.336 -10.367 3.854 1.00 15.00 A C +ATOM 1559 HA SER A 182 -0.654 -11.345 3.525 1.00 15.00 A H +ATOM 1560 CB SER A 182 1.013 -10.514 4.563 1.00 15.00 A C +ATOM 1561 HB1 SER A 182 0.950 -11.313 5.290 1.00 15.00 A H +ATOM 1562 HB2 SER A 182 1.265 -9.592 5.064 1.00 15.00 A H +ATOM 1563 OG SER A 182 2.037 -10.825 3.638 1.00 15.00 A O +ATOM 1564 HG SER A 182 1.662 -10.861 2.754 1.00 15.00 A H +ATOM 1565 C SER A 182 -1.386 -9.837 4.820 1.00 15.00 A C +ATOM 1566 O SER A 182 -1.572 -8.628 4.970 1.00 15.00 A O +ATOM 1567 N CYS A 183 -2.072 -10.774 5.468 1.00 15.00 A N +ATOM 1568 HN CYS A 183 -1.863 -11.715 5.297 1.00 15.00 A H +ATOM 1569 CA CYS A 183 -3.126 -10.455 6.420 1.00 15.00 A C +ATOM 1570 HA CYS A 183 -2.825 -9.582 6.978 1.00 15.00 A H +ATOM 1571 HB1 CYS A 183 -4.384 -9.135 5.305 1.00 15.00 A H +ATOM 1572 HB2 CYS A 183 -5.254 -10.256 6.345 1.00 15.00 A H +ATOM 1573 C CYS A 183 -3.371 -11.607 7.388 1.00 15.00 A C +ATOM 1574 O CYS A 183 -3.133 -12.766 7.064 1.00 15.00 A O +ATOM 1575 CB CYS A 183 -4.418 -10.150 5.670 1.00 15.00 A C +ATOM 1576 SG CYS A 183 -4.726 -11.243 4.245 1.00 15.00 A S +ATOM 1577 N HIS A 184 -3.859 -11.273 8.569 1.00 15.00 A N +ATOM 1578 HN HIS A 184 -4.024 -10.328 8.763 1.00 15.00 A H +ATOM 1579 CA HIS A 184 -4.150 -12.268 9.593 1.00 15.00 A C +ATOM 1580 HA HIS A 184 -3.748 -13.213 9.267 1.00 15.00 A H +ATOM 1581 CB HIS A 184 -3.464 -11.848 10.898 1.00 15.00 A C +ATOM 1582 HB1 HIS A 184 -3.987 -10.992 11.303 1.00 15.00 A H +ATOM 1583 HB2 HIS A 184 -2.446 -11.561 10.680 1.00 15.00 A H +ATOM 1584 CG HIS A 184 -3.413 -12.904 11.956 1.00 15.00 A C +ATOM 1585 ND1 HIS A 184 -2.330 -13.736 12.144 1.00 15.00 A N +ATOM 1586 HD1 HIS A 184 -1.512 -13.746 11.602 1.00 15.00 A H +ATOM 1587 CD2 HIS A 184 -4.299 -13.221 12.922 1.00 15.00 A C +ATOM 1588 HD2 HIS A 184 -5.278 -12.784 13.057 1.00 15.00 A H +ATOM 1589 CE1 HIS A 184 -2.557 -14.517 13.187 1.00 15.00 A C +ATOM 1590 HE1 HIS A 184 -1.884 -15.272 13.574 1.00 15.00 A H +ATOM 1591 NE2 HIS A 184 -3.747 -14.225 13.672 1.00 15.00 A N +ATOM 1592 HE2 HIS A 184 -4.159 -14.648 14.455 1.00 15.00 A H +ATOM 1593 C HIS A 184 -5.668 -12.401 9.771 1.00 15.00 A C +ATOM 1594 O HIS A 184 -6.355 -11.416 10.036 1.00 15.00 A O +ATOM 1595 N ASP A 185 -6.184 -13.623 9.611 1.00 15.00 A N +ATOM 1596 HN ASP A 185 -5.583 -14.371 9.405 1.00 15.00 A H +ATOM 1597 CA ASP A 185 -7.626 -13.871 9.727 1.00 15.00 A C +ATOM 1598 HA ASP A 185 -8.129 -12.971 9.411 1.00 15.00 A H +ATOM 1599 CB ASP A 185 -8.054 -15.016 8.795 1.00 15.00 A C +ATOM 1600 HB1 ASP A 185 -7.689 -14.817 7.798 1.00 15.00 A H +ATOM 1601 HB2 ASP A 185 -9.134 -15.058 8.769 1.00 15.00 A H +ATOM 1602 CG ASP A 185 -7.544 -16.382 9.226 1.00 15.00 A C +ATOM 1603 OD1 ASP A 185 -6.505 -16.449 9.918 1.00 15.00 A O +ATOM 1604 OD2 ASP A 185 -8.187 -17.388 8.866 1.00 15.00 A O +ATOM 1605 C ASP A 185 -8.045 -14.179 11.163 1.00 15.00 A C +ATOM 1606 O ASP A 185 -9.180 -14.567 11.411 1.00 15.00 A O +ATOM 1607 N GLY A 186 -7.125 -14.003 12.102 1.00 15.00 A N +ATOM 1608 HN GLY A 186 -6.229 -13.692 11.846 1.00 15.00 A H +ATOM 1609 CA GLY A 186 -7.432 -14.255 13.500 1.00 15.00 A C +ATOM 1610 HA1 GLY A 186 -8.501 -14.329 13.616 1.00 15.00 A H +ATOM 1611 HA2 GLY A 186 -7.077 -13.415 14.086 1.00 15.00 A H +ATOM 1612 C GLY A 186 -6.791 -15.521 14.032 1.00 15.00 A C +ATOM 1613 O GLY A 186 -6.458 -15.591 15.212 1.00 15.00 A O +ATOM 1614 N LYS A 187 -6.604 -16.515 13.170 1.00 15.00 A N +ATOM 1615 HN LYS A 187 -6.875 -16.403 12.232 1.00 15.00 A H +ATOM 1616 CA LYS A 187 -5.997 -17.772 13.598 1.00 15.00 A C +ATOM 1617 HA LYS A 187 -5.923 -17.746 14.673 1.00 15.00 A H +ATOM 1618 CB LYS A 187 -6.866 -18.967 13.192 1.00 15.00 A C +ATOM 1619 HB1 LYS A 187 -6.358 -19.875 13.479 1.00 15.00 A H +ATOM 1620 HB2 LYS A 187 -6.996 -18.957 12.121 1.00 15.00 A H +ATOM 1621 CG LYS A 187 -8.243 -18.964 13.841 1.00 15.00 A C +ATOM 1622 HG1 LYS A 187 -8.791 -18.103 13.488 1.00 15.00 A H +ATOM 1623 HG2 LYS A 187 -8.120 -18.902 14.912 1.00 15.00 A H +ATOM 1624 CD LYS A 187 -9.036 -20.222 13.517 1.00 15.00 A C +ATOM 1625 HD1 LYS A 187 -8.497 -21.084 13.882 1.00 15.00 A H +ATOM 1626 HD2 LYS A 187 -9.157 -20.293 12.447 1.00 15.00 A H +ATOM 1627 CE LYS A 187 -10.412 -20.183 14.169 1.00 15.00 A C +ATOM 1628 HE1 LYS A 187 -10.990 -19.398 13.703 1.00 15.00 A H +ATOM 1629 HE2 LYS A 187 -10.289 -19.962 15.220 1.00 15.00 A H +ATOM 1630 NZ LYS A 187 -11.143 -21.473 14.028 1.00 15.00 A N +ATOM 1631 HZ1 LYS A 187 -11.259 -21.712 13.023 1.00 15.00 A H +ATOM 1632 HZ2 LYS A 187 -12.085 -21.400 14.466 1.00 15.00 A H +ATOM 1633 HZ3 LYS A 187 -10.616 -22.237 14.498 1.00 15.00 A H +ATOM 1634 C LYS A 187 -4.591 -17.925 13.028 1.00 15.00 A C +ATOM 1635 O LYS A 187 -3.705 -18.468 13.689 1.00 15.00 A O +ATOM 1636 N ALA A 188 -4.382 -17.429 11.810 1.00 15.00 A N +ATOM 1637 HN ALA A 188 -5.121 -16.990 11.333 1.00 15.00 A H +ATOM 1638 CA ALA A 188 -3.075 -17.539 11.173 1.00 15.00 A C +ATOM 1639 HA ALA A 188 -2.331 -17.447 11.943 1.00 15.00 A H +ATOM 1640 CB ALA A 188 -2.926 -18.920 10.546 1.00 15.00 A C +ATOM 1641 HB1 ALA A 188 -3.687 -19.060 9.793 1.00 15.00 A H +ATOM 1642 HB2 ALA A 188 -3.034 -19.674 11.312 1.00 15.00 A H +ATOM 1643 HB3 ALA A 188 -1.949 -19.004 10.093 1.00 15.00 A H +ATOM 1644 C ALA A 188 -2.833 -16.440 10.137 1.00 15.00 A C +ATOM 1645 O ALA A 188 -3.715 -15.631 9.847 1.00 15.00 A O +ATOM 1646 N TRP A 189 -1.623 -16.431 9.583 1.00 15.00 A N +ATOM 1647 HN TRP A 189 -0.975 -17.115 9.853 1.00 15.00 A H +ATOM 1648 CA TRP A 189 -1.222 -15.444 8.583 1.00 15.00 A C +ATOM 1649 HA TRP A 189 -1.819 -14.551 8.720 1.00 15.00 A H +ATOM 1650 CB TRP A 189 0.251 -15.084 8.760 1.00 15.00 A C +ATOM 1651 HB1 TRP A 189 0.632 -14.700 7.823 1.00 15.00 A H +ATOM 1652 HB2 TRP A 189 0.809 -15.974 9.027 1.00 15.00 A H +ATOM 1653 CG TRP A 189 0.505 -14.063 9.824 1.00 15.00 A C +ATOM 1654 CD1 TRP A 189 0.929 -14.305 11.102 1.00 15.00 A C +ATOM 1655 HD1 TRP A 189 1.111 -15.293 11.502 1.00 15.00 A H +ATOM 1656 CD2 TRP A 189 0.392 -12.641 9.705 1.00 15.00 A C +ATOM 1657 NE1 TRP A 189 1.093 -13.122 11.778 1.00 15.00 A N +ATOM 1658 HE1 TRP A 189 1.394 -13.031 12.701 1.00 15.00 A H +ATOM 1659 CE2 TRP A 189 0.761 -12.086 10.946 1.00 15.00 A C +ATOM 1660 CE3 TRP A 189 0.016 -11.782 8.669 1.00 15.00 A C +ATOM 1661 HE3 TRP A 189 -0.269 -12.167 7.703 1.00 15.00 A H +ATOM 1662 CZ2 TRP A 189 0.760 -10.711 11.177 1.00 15.00 A C +ATOM 1663 HZ2 TRP A 189 1.037 -10.287 12.133 1.00 15.00 A H +ATOM 1664 CZ3 TRP A 189 0.017 -10.421 8.896 1.00 15.00 A C +ATOM 1665 HZ3 TRP A 189 -0.266 -9.739 8.101 1.00 15.00 A H +ATOM 1666 CH2 TRP A 189 0.388 -9.893 10.144 1.00 15.00 A C +ATOM 1667 HH2 TRP A 189 0.376 -8.821 10.272 1.00 15.00 A H +ATOM 1668 C TRP A 189 -1.415 -15.959 7.162 1.00 15.00 A C +ATOM 1669 O TRP A 189 -1.215 -17.142 6.880 1.00 15.00 A O +ATOM 1670 N LEU A 190 -1.807 -15.056 6.273 1.00 15.00 A N +ATOM 1671 HN LEU A 190 -2.002 -14.141 6.575 1.00 15.00 A H +ATOM 1672 CA LEU A 190 -1.996 -15.389 4.872 1.00 15.00 A C +ATOM 1673 HA LEU A 190 -1.745 -16.427 4.742 1.00 15.00 A H +ATOM 1674 CB LEU A 190 -3.442 -15.175 4.446 1.00 15.00 A C +ATOM 1675 HB1 LEU A 190 -3.747 -14.177 4.720 1.00 15.00 A H +ATOM 1676 HB2 LEU A 190 -4.065 -15.888 4.975 1.00 15.00 A H +ATOM 1677 CG LEU A 190 -3.656 -15.356 2.952 1.00 15.00 A C +ATOM 1678 HG LEU A 190 -2.834 -14.892 2.431 1.00 15.00 A H +ATOM 1679 CD1 LEU A 190 -3.655 -16.832 2.603 1.00 15.00 A C +ATOM 1680 HD11 LEU A 190 -3.617 -16.947 1.531 1.00 15.00 A H +ATOM 1681 HD12 LEU A 190 -4.554 -17.294 2.982 1.00 15.00 A H +ATOM 1682 HD13 LEU A 190 -2.791 -17.306 3.046 1.00 15.00 A H +ATOM 1683 CD2 LEU A 190 -4.938 -14.680 2.501 1.00 15.00 A C +ATOM 1684 HD21 LEU A 190 -5.787 -15.203 2.912 1.00 15.00 A H +ATOM 1685 HD22 LEU A 190 -4.990 -14.697 1.424 1.00 15.00 A H +ATOM 1686 HD23 LEU A 190 -4.943 -13.655 2.845 1.00 15.00 A H +ATOM 1687 C LEU A 190 -1.063 -14.552 4.003 1.00 15.00 A C +ATOM 1688 O LEU A 190 -1.092 -13.325 4.054 1.00 15.00 A O +ATOM 1689 N HIS A 191 -0.260 -15.222 3.180 1.00 15.00 A N +ATOM 1690 HN HIS A 191 -0.318 -16.200 3.142 1.00 15.00 A H +ATOM 1691 CA HIS A 191 0.703 -14.530 2.331 1.00 15.00 A C +ATOM 1692 HA HIS A 191 0.528 -13.472 2.423 1.00 15.00 A H +ATOM 1693 CB HIS A 191 2.138 -14.832 2.780 1.00 15.00 A C +ATOM 1694 HB1 HIS A 191 2.811 -14.170 2.257 1.00 15.00 A H +ATOM 1695 HB2 HIS A 191 2.376 -15.851 2.515 1.00 15.00 A H +ATOM 1696 CG HIS A 191 2.392 -14.679 4.247 1.00 15.00 A C +ATOM 1697 ND1 HIS A 191 2.702 -13.482 4.848 1.00 15.00 A N +ATOM 1698 HD1 HIS A 191 2.744 -12.608 4.404 1.00 15.00 A H +ATOM 1699 CD2 HIS A 191 2.434 -15.616 5.225 1.00 15.00 A C +ATOM 1700 HD2 HIS A 191 2.241 -16.674 5.101 1.00 15.00 A H +ATOM 1701 CE1 HIS A 191 2.924 -13.723 6.145 1.00 15.00 A C +ATOM 1702 HE1 HIS A 191 3.195 -12.968 6.868 1.00 15.00 A H +ATOM 1703 NE2 HIS A 191 2.772 -15.005 6.425 1.00 15.00 A N +ATOM 1704 C HIS A 191 0.588 -14.915 0.859 1.00 15.00 A C +ATOM 1705 O HIS A 191 0.897 -16.044 0.474 1.00 15.00 A O +ATOM 1706 N VAL A 192 0.144 -13.970 0.038 1.00 15.00 A N +ATOM 1707 HN VAL A 192 -0.167 -13.118 0.411 1.00 15.00 A H +ATOM 1708 CA VAL A 192 0.068 -14.193 -1.399 1.00 15.00 A C +ATOM 1709 HA VAL A 192 0.063 -15.265 -1.553 1.00 15.00 A H +ATOM 1710 CB VAL A 192 -1.239 -13.608 -2.027 1.00 15.00 A C +ATOM 1711 HB VAL A 192 -1.694 -14.393 -2.615 1.00 15.00 A H +ATOM 1712 CG1 VAL A 192 -2.230 -13.219 -0.945 1.00 15.00 A C +ATOM 1713 HG11 VAL A 192 -3.126 -12.825 -1.402 1.00 15.00 A H +ATOM 1714 HG12 VAL A 192 -1.789 -12.468 -0.309 1.00 15.00 A H +ATOM 1715 HG13 VAL A 192 -2.480 -14.090 -0.357 1.00 15.00 A H +ATOM 1716 CG2 VAL A 192 -0.995 -12.421 -2.953 1.00 15.00 A C +ATOM 1717 HG21 VAL A 192 -0.552 -11.613 -2.390 1.00 15.00 A H +ATOM 1718 HG22 VAL A 192 -1.936 -12.095 -3.373 1.00 15.00 A H +ATOM 1719 HG23 VAL A 192 -0.329 -12.715 -3.750 1.00 15.00 A H +ATOM 1720 C VAL A 192 1.348 -13.633 -2.032 1.00 15.00 A C +ATOM 1721 O VAL A 192 1.611 -12.429 -2.016 1.00 15.00 A O +ATOM 1722 N CYS A 193 2.189 -14.537 -2.511 1.00 15.00 A N +ATOM 1723 HN CYS A 193 1.948 -15.487 -2.466 1.00 15.00 A H +ATOM 1724 CA CYS A 193 3.462 -14.157 -3.101 1.00 15.00 A C +ATOM 1725 HA CYS A 193 3.613 -13.104 -2.915 1.00 15.00 A H +ATOM 1726 HB1 CYS A 193 5.520 -14.441 -2.575 1.00 15.00 A H +ATOM 1727 HB2 CYS A 193 4.630 -15.938 -2.850 1.00 15.00 A H +ATOM 1728 C CYS A 193 3.444 -14.391 -4.606 1.00 15.00 A C +ATOM 1729 O CYS A 193 3.002 -15.437 -5.073 1.00 15.00 A O +ATOM 1730 CB CYS A 193 4.580 -14.949 -2.420 1.00 15.00 A C +ATOM 1731 SG CYS A 193 4.334 -15.130 -0.622 1.00 15.00 A S +ATOM 1732 N ILE A 194 3.940 -13.420 -5.369 1.00 15.00 A N +ATOM 1733 HN ILE A 194 4.334 -12.628 -4.950 1.00 15.00 A H +ATOM 1734 CA ILE A 194 3.924 -13.529 -6.823 1.00 15.00 A C +ATOM 1735 HA ILE A 194 3.536 -14.504 -7.073 1.00 15.00 A H +ATOM 1736 CB ILE A 194 2.991 -12.478 -7.448 1.00 15.00 A C +ATOM 1737 HB ILE A 194 3.352 -11.499 -7.173 1.00 15.00 A H +ATOM 1738 CG1 ILE A 194 1.571 -12.654 -6.910 1.00 15.00 A C +ATOM 1739 HG11 ILE A 194 1.611 -12.752 -5.837 1.00 15.00 A H +ATOM 1740 HG12 ILE A 194 1.141 -13.550 -7.335 1.00 15.00 A H +ATOM 1741 CG2 ILE A 194 3.015 -12.583 -8.968 1.00 15.00 A C +ATOM 1742 HG21 ILE A 194 2.425 -13.429 -9.282 1.00 15.00 A H +ATOM 1743 HG22 ILE A 194 4.034 -12.710 -9.302 1.00 15.00 A H +ATOM 1744 HG23 ILE A 194 2.608 -11.678 -9.398 1.00 15.00 A H +ATOM 1745 CD1 ILE A 194 0.660 -11.500 -7.239 1.00 15.00 A C +ATOM 1746 HD11 ILE A 194 0.599 -11.385 -8.312 1.00 15.00 A H +ATOM 1747 HD12 ILE A 194 1.054 -10.596 -6.801 1.00 15.00 A H +ATOM 1748 HD13 ILE A 194 -0.323 -11.695 -6.842 1.00 15.00 A H +ATOM 1749 C ILE A 194 5.304 -13.386 -7.438 1.00 15.00 A C +ATOM 1750 O ILE A 194 5.923 -12.323 -7.393 1.00 15.00 A O +ATOM 1751 N THR A 195 5.763 -14.470 -8.039 1.00 15.00 A N +ATOM 1752 HN THR A 195 5.215 -15.286 -8.039 1.00 15.00 A H +ATOM 1753 CA THR A 195 7.054 -14.497 -8.695 1.00 15.00 A C +ATOM 1754 HA THR A 195 7.395 -13.481 -8.804 1.00 15.00 A H +ATOM 1755 CB THR A 195 8.086 -15.267 -7.850 1.00 15.00 A C +ATOM 1756 HB THR A 195 8.399 -16.150 -8.387 1.00 15.00 A H +ATOM 1757 OG1 THR A 195 7.498 -15.657 -6.604 1.00 15.00 A O +ATOM 1758 HG1 THR A 195 7.336 -16.602 -6.604 1.00 15.00 A H +ATOM 1759 CG2 THR A 195 9.306 -14.397 -7.587 1.00 15.00 A C +ATOM 1760 HG21 THR A 195 9.532 -13.821 -8.472 1.00 15.00 A H +ATOM 1761 HG22 THR A 195 10.152 -15.019 -7.338 1.00 15.00 A H +ATOM 1762 HG23 THR A 195 9.102 -13.725 -6.764 1.00 15.00 A H +ATOM 1763 C THR A 195 6.929 -15.129 -10.081 1.00 15.00 A C +ATOM 1764 O THR A 195 5.821 -15.383 -10.544 1.00 15.00 A O +ATOM 1765 N GLY A 196 8.057 -15.358 -10.752 1.00 15.00 A N +ATOM 1766 HN GLY A 196 8.918 -15.123 -10.345 1.00 15.00 A H +ATOM 1767 CA GLY A 196 8.018 -15.961 -12.075 1.00 15.00 A C +ATOM 1768 HA1 GLY A 196 7.063 -16.455 -12.197 1.00 15.00 A H +ATOM 1769 HA2 GLY A 196 8.798 -16.702 -12.141 1.00 15.00 A H +ATOM 1770 C GLY A 196 8.197 -14.962 -13.203 1.00 15.00 A C +ATOM 1771 O GLY A 196 8.484 -13.789 -12.963 1.00 15.00 A O +ATOM 1772 N ASP A 197 8.019 -15.437 -14.440 1.00 15.00 A N +ATOM 1773 HN ASP A 197 7.789 -16.382 -14.557 1.00 15.00 A H +ATOM 1774 CA ASP A 197 8.160 -14.591 -15.626 1.00 15.00 A C +ATOM 1775 HA ASP A 197 9.096 -14.056 -15.542 1.00 15.00 A H +ATOM 1776 CB ASP A 197 8.189 -15.443 -16.899 1.00 15.00 A C +ATOM 1777 HB1 ASP A 197 8.073 -14.800 -17.758 1.00 15.00 A H +ATOM 1778 HB2 ASP A 197 7.370 -16.151 -16.871 1.00 15.00 A H +ATOM 1779 CG ASP A 197 9.483 -16.218 -17.050 1.00 15.00 A C +ATOM 1780 OD1 ASP A 197 10.561 -15.608 -16.893 1.00 15.00 A O +ATOM 1781 OD2 ASP A 197 9.418 -17.433 -17.331 1.00 15.00 A O +ATOM 1782 C ASP A 197 7.026 -13.585 -15.717 1.00 15.00 A C +ATOM 1783 O ASP A 197 5.923 -13.839 -15.243 1.00 15.00 A O +ATOM 1784 N ASP A 198 7.307 -12.438 -16.318 1.00 15.00 A N +ATOM 1785 HN ASP A 198 8.217 -12.284 -16.652 1.00 15.00 A H +ATOM 1786 CA ASP A 198 6.305 -11.391 -16.480 1.00 15.00 A C +ATOM 1787 HA ASP A 198 5.979 -11.082 -15.497 1.00 15.00 A H +ATOM 1788 CB ASP A 198 6.924 -10.188 -17.197 1.00 15.00 A C +ATOM 1789 HB1 ASP A 198 6.167 -9.431 -17.345 1.00 15.00 A H +ATOM 1790 HB2 ASP A 198 7.304 -10.504 -18.159 1.00 15.00 A H +ATOM 1791 CG ASP A 198 8.067 -9.578 -16.409 1.00 15.00 A C +ATOM 1792 OD1 ASP A 198 8.095 -9.752 -15.171 1.00 15.00 A O +ATOM 1793 OD2 ASP A 198 8.933 -8.924 -17.027 1.00 15.00 A O +ATOM 1794 C ASP A 198 5.101 -11.908 -17.267 1.00 15.00 A C +ATOM 1795 O ASP A 198 3.956 -11.632 -16.926 1.00 15.00 A O +ATOM 1796 N LYS A 199 5.382 -12.694 -18.300 1.00 15.00 A N +ATOM 1797 HN LYS A 199 6.320 -12.902 -18.490 1.00 15.00 A H +ATOM 1798 CA LYS A 199 4.346 -13.250 -19.174 1.00 15.00 A C +ATOM 1799 HA LYS A 199 3.577 -12.502 -19.297 1.00 15.00 A H +ATOM 1800 CB LYS A 199 4.958 -13.550 -20.545 1.00 15.00 A C +ATOM 1801 HB1 LYS A 199 4.164 -13.636 -21.273 1.00 15.00 A H +ATOM 1802 HB2 LYS A 199 5.492 -14.485 -20.492 1.00 15.00 A H +ATOM 1803 CG LYS A 199 5.924 -12.474 -21.020 1.00 15.00 A C +ATOM 1804 HG1 LYS A 199 6.389 -12.797 -21.938 1.00 15.00 A H +ATOM 1805 HG2 LYS A 199 6.680 -12.326 -20.264 1.00 15.00 A H +ATOM 1806 CD LYS A 199 5.206 -11.156 -21.260 1.00 15.00 A C +ATOM 1807 HD1 LYS A 199 5.941 -10.377 -21.401 1.00 15.00 A H +ATOM 1808 HD2 LYS A 199 4.596 -10.929 -20.399 1.00 15.00 A H +ATOM 1809 CE LYS A 199 4.314 -11.227 -22.488 1.00 15.00 A C +ATOM 1810 HE1 LYS A 199 3.675 -12.091 -22.402 1.00 15.00 A H +ATOM 1811 HE2 LYS A 199 4.939 -11.327 -23.362 1.00 15.00 A H +ATOM 1812 NZ LYS A 199 3.468 -10.011 -22.632 1.00 15.00 A N +ATOM 1813 HZ1 LYS A 199 4.068 -9.166 -22.715 1.00 15.00 A H +ATOM 1814 HZ2 LYS A 199 2.851 -9.905 -21.801 1.00 15.00 A H +ATOM 1815 HZ3 LYS A 199 2.875 -10.088 -23.483 1.00 15.00 A H +ATOM 1816 C LYS A 199 3.708 -14.526 -18.610 1.00 15.00 A C +ATOM 1817 O LYS A 199 2.694 -14.991 -19.128 1.00 15.00 A O +ATOM 1818 N ASN A 200 4.293 -15.086 -17.555 1.00 15.00 A N +ATOM 1819 HN ASN A 200 5.084 -14.660 -17.159 1.00 15.00 A H +ATOM 1820 CA ASN A 200 3.769 -16.319 -16.963 1.00 15.00 A C +ATOM 1821 HA ASN A 200 2.693 -16.310 -17.065 1.00 15.00 A H +ATOM 1822 CB ASN A 200 4.330 -17.528 -17.719 1.00 15.00 A C +ATOM 1823 HB1 ASN A 200 5.222 -17.874 -17.214 1.00 15.00 A H +ATOM 1824 HB2 ASN A 200 4.586 -17.227 -18.722 1.00 15.00 A H +ATOM 1825 CG ASN A 200 3.352 -18.684 -17.804 1.00 15.00 A C +ATOM 1826 OD1 ASN A 200 2.184 -18.560 -17.435 1.00 15.00 A O +ATOM 1827 ND2 ASN A 200 3.828 -19.816 -18.308 1.00 15.00 A N +ATOM 1828 HD21 ASN A 200 4.766 -19.836 -18.591 1.00 15.00 A H +ATOM 1829 HD22 ASN A 200 3.222 -20.583 -18.378 1.00 15.00 A H +ATOM 1830 C ASN A 200 4.121 -16.418 -15.477 1.00 15.00 A C +ATOM 1831 O ASN A 200 4.856 -17.316 -15.061 1.00 15.00 A O +ATOM 1832 N ALA A 201 3.593 -15.489 -14.682 1.00 15.00 A N +ATOM 1833 HN ALA A 201 3.021 -14.794 -15.070 1.00 15.00 A H +ATOM 1834 CA ALA A 201 3.855 -15.475 -13.245 1.00 15.00 A C +ATOM 1835 HA ALA A 201 4.868 -15.818 -13.091 1.00 15.00 A H +ATOM 1836 CB ALA A 201 3.750 -14.055 -12.699 1.00 15.00 A C +ATOM 1837 HB1 ALA A 201 2.870 -13.575 -13.100 1.00 15.00 A H +ATOM 1838 HB2 ALA A 201 4.628 -13.494 -12.983 1.00 15.00 A H +ATOM 1839 HB3 ALA A 201 3.682 -14.087 -11.619 1.00 15.00 A H +ATOM 1840 C ALA A 201 2.906 -16.411 -12.496 1.00 15.00 A C +ATOM 1841 O ALA A 201 1.820 -16.735 -12.985 1.00 15.00 A O +ATOM 1842 N THR A 202 3.330 -16.846 -11.312 1.00 15.00 A N +ATOM 1843 HN THR A 202 4.208 -16.555 -10.988 1.00 15.00 A H +ATOM 1844 CA THR A 202 2.531 -17.741 -10.480 1.00 15.00 A C +ATOM 1845 HA THR A 202 1.547 -17.809 -10.921 1.00 15.00 A H +ATOM 1846 CB THR A 202 3.135 -19.167 -10.429 1.00 15.00 A C +ATOM 1847 HB THR A 202 2.776 -19.713 -11.290 1.00 15.00 A H +ATOM 1848 OG1 THR A 202 2.696 -19.847 -9.244 1.00 15.00 A O +ATOM 1849 HG1 THR A 202 3.389 -20.428 -8.930 1.00 15.00 A H +ATOM 1850 CG2 THR A 202 4.662 -19.135 -10.480 1.00 15.00 A C +ATOM 1851 HG21 THR A 202 5.044 -18.563 -9.646 1.00 15.00 A H +ATOM 1852 HG22 THR A 202 4.982 -18.678 -11.405 1.00 15.00 A H +ATOM 1853 HG23 THR A 202 5.044 -20.145 -10.429 1.00 15.00 A H +ATOM 1854 C THR A 202 2.390 -17.196 -9.058 1.00 15.00 A C +ATOM 1855 O THR A 202 3.371 -16.781 -8.442 1.00 15.00 A O +ATOM 1856 N ALA A 203 1.160 -17.194 -8.543 1.00 15.00 A N +ATOM 1857 HN ALA A 203 0.415 -17.537 -9.081 1.00 15.00 A H +ATOM 1858 CA ALA A 203 0.900 -16.696 -7.200 1.00 15.00 A C +ATOM 1859 HA ALA A 203 1.760 -16.124 -6.891 1.00 15.00 A H +ATOM 1860 CB ALA A 203 -0.308 -15.770 -7.195 1.00 15.00 A C +ATOM 1861 HB1 ALA A 203 -1.215 -16.354 -7.179 1.00 15.00 A H +ATOM 1862 HB2 ALA A 203 -0.291 -15.157 -8.084 1.00 15.00 A H +ATOM 1863 HB3 ALA A 203 -0.269 -15.136 -6.322 1.00 15.00 A H +ATOM 1864 C ALA A 203 0.704 -17.838 -6.214 1.00 15.00 A C +ATOM 1865 O ALA A 203 -0.162 -18.690 -6.392 1.00 15.00 A O +ATOM 1866 N SER A 204 1.526 -17.841 -5.176 1.00 15.00 A N +ATOM 1867 HN SER A 204 2.194 -17.128 -5.099 1.00 15.00 A H +ATOM 1868 CA SER A 204 1.469 -18.865 -4.149 1.00 15.00 A C +ATOM 1869 HA SER A 204 0.967 -19.725 -4.556 1.00 15.00 A H +ATOM 1870 CB SER A 204 2.882 -19.267 -3.730 1.00 15.00 A C +ATOM 1871 HB1 SER A 204 2.829 -20.115 -3.059 1.00 15.00 A H +ATOM 1872 HB2 SER A 204 3.353 -18.437 -3.227 1.00 15.00 A H +ATOM 1873 OG SER A 204 3.666 -19.622 -4.853 1.00 15.00 A O +ATOM 1874 HG SER A 204 4.310 -18.932 -5.025 1.00 15.00 A H +ATOM 1875 C SER A 204 0.690 -18.366 -2.942 1.00 15.00 A C +ATOM 1876 O SER A 204 0.930 -17.264 -2.445 1.00 15.00 A O +ATOM 1877 N PHE A 205 -0.232 -19.191 -2.469 1.00 15.00 A N +ATOM 1878 HN PHE A 205 -0.363 -20.062 -2.905 1.00 15.00 A H +ATOM 1879 CA PHE A 205 -1.049 -18.843 -1.318 1.00 15.00 A C +ATOM 1880 HA PHE A 205 -0.904 -17.790 -1.121 1.00 15.00 A H +ATOM 1881 CB PHE A 205 -2.521 -19.091 -1.623 1.00 15.00 A C +ATOM 1882 HB1 PHE A 205 -3.109 -18.901 -0.745 1.00 15.00 A H +ATOM 1883 HB2 PHE A 205 -2.661 -20.114 -1.922 1.00 15.00 A H +ATOM 1884 CG PHE A 205 -3.019 -18.209 -2.727 1.00 15.00 A C +ATOM 1885 CD1 PHE A 205 -2.905 -18.605 -4.048 1.00 15.00 A C +ATOM 1886 HD1 PHE A 205 -2.466 -19.561 -4.280 1.00 15.00 A H +ATOM 1887 CD2 PHE A 205 -3.584 -16.975 -2.442 1.00 15.00 A C +ATOM 1888 HD2 PHE A 205 -3.691 -16.664 -1.415 1.00 15.00 A H +ATOM 1889 CE1 PHE A 205 -3.344 -17.782 -5.071 1.00 15.00 A C +ATOM 1890 HE1 PHE A 205 -3.257 -18.107 -6.097 1.00 15.00 A H +ATOM 1891 CE2 PHE A 205 -4.027 -16.154 -3.461 1.00 15.00 A C +ATOM 1892 HE2 PHE A 205 -4.461 -15.192 -3.228 1.00 15.00 A H +ATOM 1893 CZ PHE A 205 -3.903 -16.554 -4.779 1.00 15.00 A C +ATOM 1894 HZ PHE A 205 -4.241 -15.910 -5.576 1.00 15.00 A H +ATOM 1895 C PHE A 205 -0.599 -19.626 -0.095 1.00 15.00 A C +ATOM 1896 O PHE A 205 -1.037 -20.754 0.142 1.00 15.00 A O +ATOM 1897 N ILE A 206 0.281 -19.004 0.685 1.00 15.00 A N +ATOM 1898 HN ILE A 206 0.560 -18.094 0.447 1.00 15.00 A H +ATOM 1899 CA ILE A 206 0.841 -19.619 1.884 1.00 15.00 A C +ATOM 1900 HA ILE A 206 0.824 -20.690 1.745 1.00 15.00 A H +ATOM 1901 CB ILE A 206 2.313 -19.178 2.071 1.00 15.00 A C +ATOM 1902 HB ILE A 206 2.346 -18.097 2.082 1.00 15.00 A H +ATOM 1903 CG1 ILE A 206 3.153 -19.689 0.895 1.00 15.00 A C +ATOM 1904 HG11 ILE A 206 2.525 -19.765 0.023 1.00 15.00 A H +ATOM 1905 HG12 ILE A 206 3.542 -20.668 1.141 1.00 15.00 A H +ATOM 1906 CG2 ILE A 206 2.874 -19.684 3.393 1.00 15.00 A C +ATOM 1907 HG21 ILE A 206 2.159 -19.499 4.183 1.00 15.00 A H +ATOM 1908 HG22 ILE A 206 3.793 -19.165 3.615 1.00 15.00 A H +ATOM 1909 HG23 ILE A 206 3.066 -20.745 3.324 1.00 15.00 A H +ATOM 1910 CD1 ILE A 206 4.329 -18.806 0.545 1.00 15.00 A C +ATOM 1911 HD11 ILE A 206 5.006 -18.758 1.385 1.00 15.00 A H +ATOM 1912 HD12 ILE A 206 3.974 -17.816 0.307 1.00 15.00 A H +ATOM 1913 HD13 ILE A 206 4.845 -19.221 -0.308 1.00 15.00 A H +ATOM 1914 C ILE A 206 0.026 -19.271 3.129 1.00 15.00 A C +ATOM 1915 O ILE A 206 -0.058 -18.109 3.531 1.00 15.00 A O +ATOM 1916 N TYR A 207 -0.573 -20.295 3.738 1.00 15.00 A N +ATOM 1917 HN TYR A 207 -0.469 -21.195 3.366 1.00 15.00 A H +ATOM 1918 CA TYR A 207 -1.385 -20.111 4.938 1.00 15.00 A C +ATOM 1919 HA TYR A 207 -1.301 -19.080 5.232 1.00 15.00 A H +ATOM 1920 CB TYR A 207 -2.852 -20.422 4.640 1.00 15.00 A C +ATOM 1921 HB1 TYR A 207 -2.942 -21.461 4.361 1.00 15.00 A H +ATOM 1922 HB2 TYR A 207 -3.184 -19.807 3.822 1.00 15.00 A H +ATOM 1923 CG TYR A 207 -3.773 -20.170 5.814 1.00 15.00 A C +ATOM 1924 CD1 TYR A 207 -4.224 -18.885 6.100 1.00 15.00 A C +ATOM 1925 HD1 TYR A 207 -3.907 -18.067 5.476 1.00 15.00 A H +ATOM 1926 CD2 TYR A 207 -4.179 -21.211 6.640 1.00 15.00 A C +ATOM 1927 HD2 TYR A 207 -3.839 -22.212 6.430 1.00 15.00 A H +ATOM 1928 CE1 TYR A 207 -5.054 -18.647 7.181 1.00 15.00 A C +ATOM 1929 HE1 TYR A 207 -5.392 -17.642 7.394 1.00 15.00 A H +ATOM 1930 CE2 TYR A 207 -5.007 -20.980 7.719 1.00 15.00 A C +ATOM 1931 HE2 TYR A 207 -5.301 -21.803 8.364 1.00 15.00 A H +ATOM 1932 CZ TYR A 207 -5.439 -19.698 7.986 1.00 15.00 A C +ATOM 1933 OH TYR A 207 -6.253 -19.469 9.071 1.00 15.00 A O +ATOM 1934 HH TYR A 207 -6.919 -18.807 8.846 1.00 15.00 A H +ATOM 1935 C TYR A 207 -0.896 -20.988 6.091 1.00 15.00 A C +ATOM 1936 O TYR A 207 -0.779 -22.210 5.953 1.00 15.00 A O +ATOM 1937 N ASP A 208 -0.607 -20.340 7.223 1.00 15.00 A N +ATOM 1938 HN ASP A 208 -0.702 -19.363 7.236 1.00 15.00 A H +ATOM 1939 CA ASP A 208 -0.145 -21.014 8.443 1.00 15.00 A C +ATOM 1940 HA ASP A 208 0.065 -20.239 9.167 1.00 15.00 A H +ATOM 1941 CB ASP A 208 -1.255 -21.918 9.014 1.00 15.00 A C +ATOM 1942 HB1 ASP A 208 -1.386 -22.771 8.366 1.00 15.00 A H +ATOM 1943 HB2 ASP A 208 -2.178 -21.358 9.056 1.00 15.00 A H +ATOM 1944 CG ASP A 208 -0.949 -22.420 10.419 1.00 15.00 A C +ATOM 1945 OD1 ASP A 208 -0.670 -21.583 11.302 1.00 15.00 A O +ATOM 1946 OD2 ASP A 208 -0.982 -23.653 10.632 1.00 15.00 A O +ATOM 1947 C ASP A 208 1.150 -21.810 8.211 1.00 15.00 A C +ATOM 1948 O ASP A 208 1.383 -22.838 8.844 1.00 15.00 A O +ATOM 1949 N GLY A 209 1.994 -21.331 7.295 1.00 15.00 A N +ATOM 1950 HN GLY A 209 1.757 -20.522 6.796 1.00 15.00 A H +ATOM 1951 CA GLY A 209 3.260 -22.003 7.040 1.00 15.00 A C +ATOM 1952 HA1 GLY A 209 3.515 -22.586 7.915 1.00 15.00 A H +ATOM 1953 HA2 GLY A 209 4.025 -21.257 6.894 1.00 15.00 A H +ATOM 1954 C GLY A 209 3.250 -22.928 5.836 1.00 15.00 A C +ATOM 1955 O GLY A 209 4.302 -23.192 5.256 1.00 15.00 A O +ATOM 1956 N ARG A 210 2.083 -23.417 5.440 1.00 15.00 A N +ATOM 1957 HN ARG A 210 1.259 -23.149 5.902 1.00 15.00 A H +ATOM 1958 CA ARG A 210 2.013 -24.344 4.311 1.00 15.00 A C +ATOM 1959 HA ARG A 210 3.004 -24.727 4.138 1.00 15.00 A H +ATOM 1960 CB ARG A 210 1.083 -25.523 4.613 1.00 15.00 A C +ATOM 1961 HB1 ARG A 210 1.581 -26.437 4.322 1.00 15.00 A H +ATOM 1962 HB2 ARG A 210 0.188 -25.414 4.019 1.00 15.00 A H +ATOM 1963 CG ARG A 210 0.667 -25.653 6.064 1.00 15.00 A C +ATOM 1964 HG1 ARG A 210 -0.411 -25.599 6.126 1.00 15.00 A H +ATOM 1965 HG2 ARG A 210 1.108 -24.848 6.635 1.00 15.00 A H +ATOM 1966 CD ARG A 210 1.130 -26.979 6.637 1.00 15.00 A C +ATOM 1967 HD1 ARG A 210 2.196 -26.930 6.800 1.00 15.00 A H +ATOM 1968 HD2 ARG A 210 0.909 -27.761 5.925 1.00 15.00 A H +ATOM 1969 NE ARG A 210 0.471 -27.289 7.901 1.00 15.00 A N +ATOM 1970 HE ARG A 210 -0.283 -27.916 7.876 1.00 15.00 A H +ATOM 1971 CZ ARG A 210 0.834 -26.774 9.072 1.00 15.00 A C +ATOM 1972 NH1 ARG A 210 1.854 -25.928 9.144 1.00 15.00 A N +ATOM 1973 HH11 ARG A 210 2.373 -25.663 8.281 1.00 15.00 A H +ATOM 1974 HH12 ARG A 210 2.133 -25.524 10.060 1.00 15.00 A H +ATOM 1975 NH2 ARG A 210 0.175 -27.105 10.172 1.00 15.00 A N +ATOM 1976 HH21 ARG A 210 0.459 -26.703 11.089 1.00 15.00 A H +ATOM 1977 HH22 ARG A 210 -0.629 -27.763 10.121 1.00 15.00 A H +ATOM 1978 C ARG A 210 1.511 -23.692 3.039 1.00 15.00 A C +ATOM 1979 O ARG A 210 0.825 -22.673 3.067 1.00 15.00 A O +ATOM 1980 N LEU A 211 1.870 -24.310 1.919 1.00 15.00 A N +ATOM 1981 HN LEU A 211 2.466 -25.085 1.975 1.00 15.00 A H +ATOM 1982 CA LEU A 211 1.405 -23.877 0.618 1.00 15.00 A C +ATOM 1983 HA LEU A 211 1.253 -22.809 0.643 1.00 15.00 A H +ATOM 1984 CB LEU A 211 2.417 -24.242 -0.469 1.00 15.00 A C +ATOM 1985 HB1 LEU A 211 2.247 -25.267 -0.766 1.00 15.00 A H +ATOM 1986 HB2 LEU A 211 3.408 -24.166 -0.046 1.00 15.00 A H +ATOM 1987 CG LEU A 211 2.360 -23.366 -1.721 1.00 15.00 A C +ATOM 1988 HG LEU A 211 1.515 -22.701 -1.642 1.00 15.00 A H +ATOM 1989 CD1 LEU A 211 3.611 -22.507 -1.834 1.00 15.00 A C +ATOM 1990 HD11 LEU A 211 3.563 -21.705 -1.113 1.00 15.00 A H +ATOM 1991 HD12 LEU A 211 3.675 -22.090 -2.828 1.00 15.00 A H +ATOM 1992 HD13 LEU A 211 4.486 -23.111 -1.642 1.00 15.00 A H +ATOM 1993 CD2 LEU A 211 2.167 -24.222 -2.965 1.00 15.00 A C +ATOM 1994 HD21 LEU A 211 2.114 -23.585 -3.835 1.00 15.00 A H +ATOM 1995 HD22 LEU A 211 1.251 -24.785 -2.875 1.00 15.00 A H +ATOM 1996 HD23 LEU A 211 3.000 -24.904 -3.070 1.00 15.00 A H +ATOM 1997 C LEU A 211 0.074 -24.572 0.388 1.00 15.00 A C +ATOM 1998 O LEU A 211 0.011 -25.802 0.308 1.00 15.00 A O +ATOM 1999 N VAL A 212 -0.983 -23.791 0.296 1.00 15.00 A N +ATOM 2000 HN VAL A 212 -0.862 -22.816 0.293 1.00 15.00 A H +ATOM 2001 CA VAL A 212 -2.317 -24.344 0.172 1.00 15.00 A C +ATOM 2002 HA VAL A 212 -2.257 -25.397 0.399 1.00 15.00 A H +ATOM 2003 CB VAL A 212 -3.234 -23.691 1.231 1.00 15.00 A C +ATOM 2004 HB VAL A 212 -3.367 -22.652 0.973 1.00 15.00 A H +ATOM 2005 CG1 VAL A 212 -4.601 -24.355 1.266 1.00 15.00 A C +ATOM 2006 HG11 VAL A 212 -4.979 -24.448 0.260 1.00 15.00 A H +ATOM 2007 HG12 VAL A 212 -5.278 -23.750 1.851 1.00 15.00 A H +ATOM 2008 HG13 VAL A 212 -4.515 -25.335 1.712 1.00 15.00 A H +ATOM 2009 CG2 VAL A 212 -2.560 -23.755 2.599 1.00 15.00 A C +ATOM 2010 HG21 VAL A 212 -3.267 -23.487 3.368 1.00 15.00 A H +ATOM 2011 HG22 VAL A 212 -1.725 -23.069 2.621 1.00 15.00 A H +ATOM 2012 HG23 VAL A 212 -2.201 -24.761 2.774 1.00 15.00 A H +ATOM 2013 C VAL A 212 -2.904 -24.182 -1.226 1.00 15.00 A C +ATOM 2014 O VAL A 212 -3.784 -24.947 -1.621 1.00 15.00 A O +ATOM 2015 N ASP A 213 -2.402 -23.219 -1.988 1.00 15.00 A N +ATOM 2016 HN ASP A 213 -1.670 -22.660 -1.651 1.00 15.00 A H +ATOM 2017 CA ASP A 213 -2.923 -23.005 -3.330 1.00 15.00 A C +ATOM 2018 HA ASP A 213 -3.032 -23.974 -3.791 1.00 15.00 A H +ATOM 2019 CB ASP A 213 -4.303 -22.336 -3.267 1.00 15.00 A C +ATOM 2020 HB1 ASP A 213 -4.193 -21.279 -3.461 1.00 15.00 A H +ATOM 2021 HB2 ASP A 213 -4.716 -22.474 -2.277 1.00 15.00 A H +ATOM 2022 CG ASP A 213 -5.278 -22.913 -4.277 1.00 15.00 A C +ATOM 2023 OD1 ASP A 213 -4.825 -23.478 -5.297 1.00 15.00 A O +ATOM 2024 OD2 ASP A 213 -6.500 -22.801 -4.049 1.00 15.00 A O +ATOM 2025 C ASP A 213 -1.975 -22.174 -4.181 1.00 15.00 A C +ATOM 2026 O ASP A 213 -0.975 -21.644 -3.693 1.00 15.00 A O +ATOM 2027 N SER A 214 -2.307 -22.078 -5.463 1.00 15.00 A N +ATOM 2028 HN SER A 214 -3.119 -22.531 -5.774 1.00 15.00 A H +ATOM 2029 CA SER A 214 -1.515 -21.327 -6.424 1.00 15.00 A C +ATOM 2030 HA SER A 214 -1.225 -20.395 -5.961 1.00 15.00 A H +ATOM 2031 CB SER A 214 -0.259 -22.114 -6.799 1.00 15.00 A C +ATOM 2032 HB1 SER A 214 0.406 -22.148 -5.950 1.00 15.00 A H +ATOM 2033 HB2 SER A 214 0.233 -21.625 -7.624 1.00 15.00 A H +ATOM 2034 OG SER A 214 -0.581 -23.442 -7.182 1.00 15.00 A O +ATOM 2035 HG SER A 214 -1.535 -23.539 -7.233 1.00 15.00 A H +ATOM 2036 C SER A 214 -2.338 -21.025 -7.671 1.00 15.00 A C +ATOM 2037 O SER A 214 -3.243 -21.781 -8.020 1.00 15.00 A O +ATOM 2038 N ILE A 215 -2.023 -19.922 -8.343 1.00 15.00 A N +ATOM 2039 HN ILE A 215 -1.290 -19.355 -8.020 1.00 15.00 A H +ATOM 2040 CA ILE A 215 -2.747 -19.536 -9.549 1.00 15.00 A C +ATOM 2041 HA ILE A 215 -3.222 -20.424 -9.943 1.00 15.00 A H +ATOM 2042 CB ILE A 215 -3.853 -18.501 -9.226 1.00 15.00 A C +ATOM 2043 HB ILE A 215 -4.211 -18.704 -8.228 1.00 15.00 A H +ATOM 2044 CG1 ILE A 215 -5.023 -18.649 -10.205 1.00 15.00 A C +ATOM 2045 HG11 ILE A 215 -5.420 -19.650 -10.128 1.00 15.00 A H +ATOM 2046 HG12 ILE A 215 -4.669 -18.486 -11.213 1.00 15.00 A H +ATOM 2047 CG2 ILE A 215 -3.306 -17.075 -9.241 1.00 15.00 A C +ATOM 2048 HG21 ILE A 215 -3.605 -16.584 -10.156 1.00 15.00 A H +ATOM 2049 HG22 ILE A 215 -2.228 -17.101 -9.184 1.00 15.00 A H +ATOM 2050 HG23 ILE A 215 -3.698 -16.532 -8.396 1.00 15.00 A H +ATOM 2051 CD1 ILE A 215 -6.159 -17.681 -9.954 1.00 15.00 A C +ATOM 2052 HD11 ILE A 215 -7.041 -18.229 -9.656 1.00 15.00 A H +ATOM 2053 HD12 ILE A 215 -6.366 -17.128 -10.859 1.00 15.00 A H +ATOM 2054 HD13 ILE A 215 -5.879 -16.996 -9.170 1.00 15.00 A H +ATOM 2055 C ILE A 215 -1.795 -18.984 -10.609 1.00 15.00 A C +ATOM 2056 O ILE A 215 -0.754 -18.408 -10.286 1.00 15.00 A O +ATOM 2057 N GLY A 216 -2.147 -19.178 -11.873 1.00 15.00 A N +ATOM 2058 HN GLY A 216 -2.976 -19.666 -12.072 1.00 15.00 A H +ATOM 2059 CA GLY A 216 -1.314 -18.694 -12.956 1.00 15.00 A C +ATOM 2060 HA1 GLY A 216 -1.310 -19.433 -13.746 1.00 15.00 A H +ATOM 2061 HA2 GLY A 216 -0.308 -18.570 -12.591 1.00 15.00 A H +ATOM 2062 C GLY A 216 -1.791 -17.372 -13.531 1.00 15.00 A C +ATOM 2063 O GLY A 216 -2.942 -16.978 -13.327 1.00 15.00 A O +ATOM 2064 N SER A 217 -0.887 -16.688 -14.238 1.00 15.00 A N +ATOM 2065 HN SER A 217 0.013 -17.060 -14.328 1.00 15.00 A H +ATOM 2066 CA SER A 217 -1.189 -15.412 -14.889 1.00 15.00 A C +ATOM 2067 HA SER A 217 -1.504 -14.706 -14.132 1.00 15.00 A H +ATOM 2068 CB SER A 217 0.081 -14.891 -15.587 1.00 15.00 A C +ATOM 2069 HB1 SER A 217 0.424 -15.630 -16.296 1.00 15.00 A H +ATOM 2070 HB2 SER A 217 0.851 -14.726 -14.849 1.00 15.00 A H +ATOM 2071 OG SER A 217 -0.149 -13.678 -16.274 1.00 15.00 A O +ATOM 2072 HG SER A 217 -0.729 -13.118 -15.753 1.00 15.00 A H +ATOM 2073 C SER A 217 -2.321 -15.624 -15.897 1.00 15.00 A C +ATOM 2074 O SER A 217 -2.206 -16.477 -16.779 1.00 15.00 A O +ATOM 2075 N TRP A 218 -3.414 -14.866 -15.772 1.00 15.00 A N +ATOM 2076 HN TRP A 218 -3.448 -14.176 -15.074 1.00 15.00 A H +ATOM 2077 CA TRP A 218 -4.558 -15.049 -16.671 1.00 15.00 A C +ATOM 2078 HA TRP A 218 -4.537 -16.088 -16.972 1.00 15.00 A H +ATOM 2079 CB TRP A 218 -5.895 -14.801 -15.947 1.00 15.00 A C +ATOM 2080 HB1 TRP A 218 -6.140 -15.676 -15.360 1.00 15.00 A H +ATOM 2081 HB2 TRP A 218 -6.664 -14.660 -16.689 1.00 15.00 A H +ATOM 2082 CG TRP A 218 -5.929 -13.607 -15.034 1.00 15.00 A C +ATOM 2083 CD1 TRP A 218 -6.084 -12.300 -15.397 1.00 15.00 A C +ATOM 2084 HD1 TRP A 218 -6.182 -11.962 -16.417 1.00 15.00 A H +ATOM 2085 CD2 TRP A 218 -5.839 -13.616 -13.603 1.00 15.00 A C +ATOM 2086 NE1 TRP A 218 -6.089 -11.495 -14.283 1.00 15.00 A N +ATOM 2087 HE1 TRP A 218 -6.181 -10.518 -14.286 1.00 15.00 A H +ATOM 2088 CE2 TRP A 218 -5.937 -12.279 -13.170 1.00 15.00 A C +ATOM 2089 CE3 TRP A 218 -5.680 -14.620 -12.643 1.00 15.00 A C +ATOM 2090 HE3 TRP A 218 -5.604 -15.654 -12.930 1.00 15.00 A H +ATOM 2091 CZ2 TRP A 218 -5.880 -11.923 -11.818 1.00 15.00 A C +ATOM 2092 HZ2 TRP A 218 -5.956 -10.890 -11.493 1.00 15.00 A H +ATOM 2093 CZ3 TRP A 218 -5.627 -14.268 -11.303 1.00 15.00 A C +ATOM 2094 HZ3 TRP A 218 -5.498 -15.030 -10.552 1.00 15.00 A H +ATOM 2095 CH2 TRP A 218 -5.727 -12.928 -10.902 1.00 15.00 A C +ATOM 2096 HH2 TRP A 218 -5.685 -12.699 -9.847 1.00 15.00 A H +ATOM 2097 C TRP A 218 -4.474 -14.206 -17.946 1.00 15.00 A C +ATOM 2098 O TRP A 218 -4.992 -14.611 -18.987 1.00 15.00 A O +ATOM 2099 N SER A 219 -3.836 -13.045 -17.870 1.00 15.00 A N +ATOM 2100 HN SER A 219 -3.450 -12.762 -17.013 1.00 15.00 A H +ATOM 2101 CA SER A 219 -3.710 -12.173 -19.039 1.00 15.00 A C +ATOM 2102 HA SER A 219 -4.391 -12.541 -19.793 1.00 15.00 A H +ATOM 2103 CB SER A 219 -4.113 -10.746 -18.679 1.00 15.00 A C +ATOM 2104 HB1 SER A 219 -4.007 -10.108 -19.544 1.00 15.00 A H +ATOM 2105 HB2 SER A 219 -3.481 -10.383 -17.881 1.00 15.00 A H +ATOM 2106 OG SER A 219 -5.463 -10.708 -18.245 1.00 15.00 A O +ATOM 2107 HG SER A 219 -5.716 -9.803 -18.056 1.00 15.00 A H +ATOM 2108 C SER A 219 -2.292 -12.210 -19.610 1.00 15.00 A C +ATOM 2109 O SER A 219 -1.992 -11.538 -20.601 1.00 15.00 A O +ATOM 2110 N GLN A 220 -1.432 -13.007 -18.968 1.00 15.00 A N +ATOM 2111 HN GLN A 220 -1.748 -13.491 -18.175 1.00 15.00 A H +ATOM 2112 CA GLN A 220 -0.033 -13.191 -19.386 1.00 15.00 A C +ATOM 2113 HA GLN A 220 0.423 -13.863 -18.675 1.00 15.00 A H +ATOM 2114 CB GLN A 220 0.064 -13.836 -20.786 1.00 15.00 A C +ATOM 2115 HB1 GLN A 220 1.096 -13.785 -21.113 1.00 15.00 A H +ATOM 2116 HB2 GLN A 220 -0.546 -13.274 -21.476 1.00 15.00 A H +ATOM 2117 CG GLN A 220 -0.372 -15.292 -20.846 1.00 15.00 A C +ATOM 2118 HG1 GLN A 220 0.035 -15.812 -19.992 1.00 15.00 A H +ATOM 2119 HG2 GLN A 220 0.019 -15.736 -21.750 1.00 15.00 A H +ATOM 2120 CD GLN A 220 -1.875 -15.463 -20.840 1.00 15.00 A C +ATOM 2121 OE1 GLN A 220 -2.580 -14.930 -21.698 1.00 15.00 A O +ATOM 2122 NE2 GLN A 220 -2.365 -16.206 -19.863 1.00 15.00 A N +ATOM 2123 HE21 GLN A 220 -1.737 -16.592 -19.219 1.00 15.00 A H +ATOM 2124 HE22 GLN A 220 -3.335 -16.337 -19.823 1.00 15.00 A H +ATOM 2125 C GLN A 220 0.767 -11.884 -19.392 1.00 15.00 A C +ATOM 2126 O GLN A 220 1.708 -11.751 -20.168 1.00 15.00 A O +ATOM 2127 N ASN A 221 0.419 -10.919 -18.539 1.00 15.00 A N +ATOM 2128 HN ASN A 221 -0.338 -11.047 -17.927 1.00 15.00 A H +ATOM 2129 CA ASN A 221 1.170 -9.665 -18.517 1.00 15.00 A C +ATOM 2130 HA ASN A 221 2.163 -9.890 -18.875 1.00 15.00 A H +ATOM 2131 CB ASN A 221 0.551 -8.628 -19.456 1.00 15.00 A C +ATOM 2132 HB1 ASN A 221 -0.287 -8.162 -18.963 1.00 15.00 A H +ATOM 2133 HB2 ASN A 221 0.215 -9.119 -20.358 1.00 15.00 A H +ATOM 2134 CG ASN A 221 1.549 -7.546 -19.837 1.00 15.00 A C +ATOM 2135 OD1 ASN A 221 2.757 -7.777 -19.855 1.00 15.00 A O +ATOM 2136 ND2 ASN A 221 1.047 -6.358 -20.146 1.00 15.00 A N +ATOM 2137 HD21 ASN A 221 0.075 -6.243 -20.115 1.00 15.00 A H +ATOM 2138 HD22 ASN A 221 1.671 -5.640 -20.383 1.00 15.00 A H +ATOM 2139 C ASN A 221 1.302 -9.085 -17.110 1.00 15.00 A C +ATOM 2140 O ASN A 221 0.564 -8.176 -16.722 1.00 15.00 A O +ATOM 2141 N ILE A 222 2.275 -9.621 -16.374 1.00 15.00 A N +ATOM 2142 HN ILE A 222 2.807 -10.341 -16.770 1.00 15.00 A H +ATOM 2143 CA ILE A 222 2.599 -9.200 -15.010 1.00 15.00 A C +ATOM 2144 HA ILE A 222 3.339 -9.897 -14.643 1.00 15.00 A H +ATOM 2145 CB ILE A 222 3.250 -7.794 -14.982 1.00 15.00 A C +ATOM 2146 HB ILE A 222 2.513 -7.065 -15.275 1.00 15.00 A H +ATOM 2147 CG1 ILE A 222 4.421 -7.751 -15.976 1.00 15.00 A C +ATOM 2148 HG11 ILE A 222 4.042 -7.921 -16.974 1.00 15.00 A H +ATOM 2149 HG12 ILE A 222 5.125 -8.533 -15.729 1.00 15.00 A H +ATOM 2150 CG2 ILE A 222 3.729 -7.453 -13.572 1.00 15.00 A C +ATOM 2151 HG21 ILE A 222 3.941 -6.395 -13.509 1.00 15.00 A H +ATOM 2152 HG22 ILE A 222 4.626 -8.010 -13.348 1.00 15.00 A H +ATOM 2153 HG23 ILE A 222 2.959 -7.708 -12.858 1.00 15.00 A H +ATOM 2154 CD1 ILE A 222 5.180 -6.442 -15.987 1.00 15.00 A C +ATOM 2155 HD11 ILE A 222 4.483 -5.621 -16.031 1.00 15.00 A H +ATOM 2156 HD12 ILE A 222 5.829 -6.411 -16.851 1.00 15.00 A H +ATOM 2157 HD13 ILE A 222 5.774 -6.365 -15.087 1.00 15.00 A H +ATOM 2158 C ILE A 222 1.397 -9.265 -14.063 1.00 15.00 A C +ATOM 2159 O ILE A 222 0.560 -8.360 -14.012 1.00 15.00 A O +ATOM 2160 N LEU A 223 1.334 -10.372 -13.331 1.00 15.00 A N +ATOM 2161 HN LEU A 223 2.021 -11.057 -13.466 1.00 15.00 A H +ATOM 2162 CA LEU A 223 0.287 -10.625 -12.343 1.00 15.00 A C +ATOM 2163 HA LEU A 223 -0.647 -10.249 -12.730 1.00 15.00 A H +ATOM 2164 CB LEU A 223 0.189 -12.140 -12.129 1.00 15.00 A C +ATOM 2165 HB1 LEU A 223 1.156 -12.491 -11.796 1.00 15.00 A H +ATOM 2166 HB2 LEU A 223 -0.022 -12.594 -13.086 1.00 15.00 A H +ATOM 2167 CG LEU A 223 -0.861 -12.628 -11.133 1.00 15.00 A C +ATOM 2168 HG LEU A 223 -0.705 -12.142 -10.182 1.00 15.00 A H +ATOM 2169 CD1 LEU A 223 -2.261 -12.285 -11.617 1.00 15.00 A C +ATOM 2170 HD11 LEU A 223 -2.414 -12.693 -12.605 1.00 15.00 A H +ATOM 2171 HD12 LEU A 223 -2.378 -11.212 -11.649 1.00 15.00 A H +ATOM 2172 HD13 LEU A 223 -2.988 -12.705 -10.938 1.00 15.00 A H +ATOM 2173 CD2 LEU A 223 -0.714 -14.131 -10.926 1.00 15.00 A C +ATOM 2174 HD21 LEU A 223 -0.561 -14.613 -11.881 1.00 15.00 A H +ATOM 2175 HD22 LEU A 223 -1.609 -14.522 -10.465 1.00 15.00 A H +ATOM 2176 HD23 LEU A 223 0.133 -14.324 -10.286 1.00 15.00 A H +ATOM 2177 C LEU A 223 0.634 -9.893 -11.040 1.00 15.00 A C +ATOM 2178 O LEU A 223 1.516 -10.317 -10.300 1.00 15.00 A O +ATOM 2179 N ARG A 224 -0.069 -8.803 -10.757 1.00 15.00 A N +ATOM 2180 HN ARG A 224 -0.807 -8.536 -11.347 1.00 15.00 A H +ATOM 2181 CA ARG A 224 0.238 -7.989 -9.577 1.00 15.00 A C +ATOM 2182 HA ARG A 224 1.165 -8.353 -9.164 1.00 15.00 A H +ATOM 2183 CB ARG A 224 0.440 -6.540 -10.019 1.00 15.00 A C +ATOM 2184 HB1 ARG A 224 1.247 -6.106 -9.446 1.00 15.00 A H +ATOM 2185 HB2 ARG A 224 -0.467 -5.987 -9.826 1.00 15.00 A H +ATOM 2186 CG ARG A 224 0.781 -6.408 -11.497 1.00 15.00 A C +ATOM 2187 HG1 ARG A 224 0.509 -7.327 -12.002 1.00 15.00 A H +ATOM 2188 HG2 ARG A 224 1.840 -6.239 -11.604 1.00 15.00 A H +ATOM 2189 CD ARG A 224 0.025 -5.262 -12.133 1.00 15.00 A C +ATOM 2190 HD1 ARG A 224 0.310 -4.344 -11.638 1.00 15.00 A H +ATOM 2191 HD2 ARG A 224 -1.034 -5.428 -11.997 1.00 15.00 A H +ATOM 2192 NE ARG A 224 0.300 -5.128 -13.561 1.00 15.00 A N +ATOM 2193 HE ARG A 224 1.171 -5.437 -13.887 1.00 15.00 A H +ATOM 2194 CZ ARG A 224 -0.573 -4.631 -14.426 1.00 15.00 A C +ATOM 2195 NH1 ARG A 224 -1.763 -4.230 -14.008 1.00 15.00 A N +ATOM 2196 HH11 ARG A 224 -2.015 -4.311 -13.002 1.00 15.00 A H +ATOM 2197 HH12 ARG A 224 -2.449 -3.840 -14.683 1.00 15.00 A H +ATOM 2198 NH2 ARG A 224 -0.253 -4.511 -15.702 1.00 15.00 A N +ATOM 2199 HH21 ARG A 224 -0.940 -4.118 -16.374 1.00 15.00 A H +ATOM 2200 HH22 ARG A 224 0.686 -4.812 -16.033 1.00 15.00 A H +ATOM 2201 C ARG A 224 -0.838 -8.057 -8.492 1.00 15.00 A C +ATOM 2202 O ARG A 224 -1.862 -8.718 -8.658 1.00 15.00 A O +ATOM 2203 N THR A 225 -0.573 -7.357 -7.374 1.00 15.00 A N +ATOM 2204 HN THR A 225 0.272 -6.868 -7.314 1.00 15.00 A H +ATOM 2205 CA THR A 225 -1.501 -7.312 -6.243 1.00 15.00 A C +ATOM 2206 HA THR A 225 -2.496 -7.209 -6.649 1.00 15.00 A H +ATOM 2207 CB THR A 225 -1.457 -8.633 -5.433 1.00 15.00 A C +ATOM 2208 HB THR A 225 -1.515 -9.456 -6.129 1.00 15.00 A H +ATOM 2209 OG1 THR A 225 -2.572 -8.713 -4.535 1.00 15.00 A O +ATOM 2210 HG1 THR A 225 -3.331 -8.278 -4.928 1.00 15.00 A H +ATOM 2211 CG2 THR A 225 -0.162 -8.771 -4.643 1.00 15.00 A C +ATOM 2212 HG21 THR A 225 0.669 -8.462 -5.257 1.00 15.00 A H +ATOM 2213 HG22 THR A 225 -0.031 -9.804 -4.355 1.00 15.00 A H +ATOM 2214 HG23 THR A 225 -0.211 -8.154 -3.757 1.00 15.00 A H +ATOM 2215 C THR A 225 -1.242 -6.104 -5.317 1.00 15.00 A C +ATOM 2216 O THR A 225 -0.373 -5.271 -5.581 1.00 15.00 A O +ATOM 2217 N GLN A 226 -2.041 -6.057 -4.250 1.00 15.00 A N +ATOM 2218 HN GLN A 226 -2.685 -6.782 -4.152 1.00 15.00 A H +ATOM 2219 CA GLN A 226 -2.056 -5.016 -3.207 1.00 15.00 A C +ATOM 2220 HA GLN A 226 -2.801 -4.288 -3.492 1.00 15.00 A H +ATOM 2221 CB GLN A 226 -2.513 -5.648 -1.881 1.00 15.00 A C +ATOM 2222 HB1 GLN A 226 -1.803 -5.400 -1.106 1.00 15.00 A H +ATOM 2223 HB2 GLN A 226 -2.541 -6.721 -1.997 1.00 15.00 A H +ATOM 2224 CG GLN A 226 -3.884 -5.186 -1.428 1.00 15.00 A C +ATOM 2225 HG1 GLN A 226 -4.007 -4.147 -1.709 1.00 15.00 A H +ATOM 2226 HG2 GLN A 226 -3.946 -5.276 -0.356 1.00 15.00 A H +ATOM 2227 CD GLN A 226 -5.004 -5.987 -2.045 1.00 15.00 A C +ATOM 2228 OE1 GLN A 226 -5.656 -6.789 -1.375 1.00 15.00 A O +ATOM 2229 NE2 GLN A 226 -5.187 -5.816 -3.341 1.00 15.00 A N +ATOM 2230 HE21 GLN A 226 -4.581 -5.212 -3.815 1.00 15.00 A H +ATOM 2231 HE22 GLN A 226 -5.937 -6.263 -3.764 1.00 15.00 A H +ATOM 2232 C GLN A 226 -0.747 -4.271 -2.945 1.00 15.00 A C +ATOM 2233 O GLN A 226 -0.675 -3.062 -3.180 1.00 15.00 A O +ATOM 2234 N GLU A 227 0.256 -4.999 -2.431 1.00 15.00 A N +ATOM 2235 HN GLU A 227 0.126 -5.964 -2.328 1.00 15.00 A H +ATOM 2236 CA GLU A 227 1.541 -4.423 -2.005 1.00 15.00 A C +ATOM 2237 HA GLU A 227 2.262 -5.230 -1.968 1.00 15.00 A H +ATOM 2238 CB GLU A 227 2.066 -3.316 -2.948 1.00 15.00 A C +ATOM 2239 HB1 GLU A 227 3.024 -2.970 -2.585 1.00 15.00 A H +ATOM 2240 HB2 GLU A 227 1.371 -2.491 -2.931 1.00 15.00 A H +ATOM 2241 CG GLU A 227 2.238 -3.765 -4.395 1.00 15.00 A C +ATOM 2242 HG1 GLU A 227 2.654 -2.946 -4.967 1.00 15.00 A H +ATOM 2243 HG2 GLU A 227 1.268 -4.017 -4.790 1.00 15.00 A H +ATOM 2244 CD GLU A 227 3.148 -4.971 -4.547 1.00 15.00 A C +ATOM 2245 OE1 GLU A 227 2.798 -6.049 -4.022 1.00 15.00 A O +ATOM 2246 OE2 GLU A 227 4.201 -4.844 -5.205 1.00 15.00 A O +ATOM 2247 C GLU A 227 1.329 -3.895 -0.588 1.00 15.00 A C +ATOM 2248 O GLU A 227 2.115 -3.106 -0.061 1.00 15.00 A O +ATOM 2249 N SER A 228 0.218 -4.368 0.003 1.00 15.00 A N +ATOM 2250 HN SER A 228 -0.342 -4.992 -0.502 1.00 15.00 A H +ATOM 2251 CA SER A 228 -0.209 -4.002 1.354 1.00 15.00 A C +ATOM 2252 HA SER A 228 0.668 -3.771 1.936 1.00 15.00 A H +ATOM 2253 CB SER A 228 -1.123 -2.778 1.306 1.00 15.00 A C +ATOM 2254 HB1 SER A 228 -0.695 -2.043 0.647 1.00 15.00 A H +ATOM 2255 HB2 SER A 228 -1.217 -2.362 2.298 1.00 15.00 A H +ATOM 2256 OG SER A 228 -2.411 -3.126 0.829 1.00 15.00 A O +ATOM 2257 HG SER A 228 -2.633 -2.581 0.075 1.00 15.00 A H +ATOM 2258 C SER A 228 -0.971 -5.150 2.029 1.00 15.00 A C +ATOM 2259 O SER A 228 -0.964 -6.288 1.555 1.00 15.00 A O +ATOM 2260 N GLU A 229 -1.649 -4.812 3.126 1.00 15.00 A N +ATOM 2261 HN GLU A 229 -1.614 -3.882 3.428 1.00 15.00 A H +ATOM 2262 CA GLU A 229 -2.431 -5.764 3.911 1.00 15.00 A C +ATOM 2263 HA GLU A 229 -1.861 -6.674 4.006 1.00 15.00 A H +ATOM 2264 CB GLU A 229 -2.669 -5.182 5.314 1.00 15.00 A C +ATOM 2265 HB1 GLU A 229 -2.799 -4.112 5.229 1.00 15.00 A H +ATOM 2266 HB2 GLU A 229 -1.807 -5.380 5.928 1.00 15.00 A H +ATOM 2267 CG GLU A 229 -3.895 -5.752 6.016 1.00 15.00 A C +ATOM 2268 HG1 GLU A 229 -3.703 -6.784 6.269 1.00 15.00 A H +ATOM 2269 HG2 GLU A 229 -4.732 -5.707 5.336 1.00 15.00 A H +ATOM 2270 CD GLU A 229 -4.274 -5.007 7.281 1.00 15.00 A C +ATOM 2271 OE1 GLU A 229 -4.941 -3.955 7.175 1.00 15.00 A O +ATOM 2272 OE2 GLU A 229 -3.921 -5.484 8.380 1.00 15.00 A O +ATOM 2273 C GLU A 229 -3.793 -6.085 3.290 1.00 15.00 A C +ATOM 2274 O GLU A 229 -4.552 -5.184 2.925 1.00 15.00 A O +ATOM 2275 N CYS A 230 -4.086 -7.379 3.173 1.00 15.00 A N +ATOM 2276 HN CYS A 230 -3.403 -8.045 3.404 1.00 15.00 A H +ATOM 2277 CA CYS A 230 -5.386 -7.836 2.696 1.00 15.00 A C +ATOM 2278 HA CYS A 230 -5.759 -7.121 1.978 1.00 15.00 A H +ATOM 2279 HB1 CYS A 230 -5.130 -9.100 0.984 1.00 15.00 A H +ATOM 2280 HB2 CYS A 230 -6.191 -9.756 2.225 1.00 15.00 A H +ATOM 2281 C CYS A 230 -6.313 -7.883 3.911 1.00 15.00 A C +ATOM 2282 O CYS A 230 -5.855 -7.653 5.025 1.00 15.00 A O +ATOM 2283 CB CYS A 230 -5.275 -9.217 2.048 1.00 15.00 A C +ATOM 2284 SG CYS A 230 -3.907 -10.237 2.683 1.00 15.00 A S +ATOM 2285 N VAL A 231 -7.593 -8.189 3.750 1.00 15.00 A N +ATOM 2286 HN VAL A 231 -7.947 -8.407 2.860 1.00 15.00 A H +ATOM 2287 CA VAL A 231 -8.465 -8.212 4.929 1.00 15.00 A C +ATOM 2288 HA VAL A 231 -7.804 -8.305 5.783 1.00 15.00 A H +ATOM 2289 CB VAL A 231 -9.248 -6.877 5.100 1.00 15.00 A C +ATOM 2290 HB VAL A 231 -8.910 -6.420 6.019 1.00 15.00 A H +ATOM 2291 CG1 VAL A 231 -8.931 -5.908 3.969 1.00 15.00 A C +ATOM 2292 HG11 VAL A 231 -7.859 -5.810 3.872 1.00 15.00 A H +ATOM 2293 HG12 VAL A 231 -9.360 -4.943 4.191 1.00 15.00 A H +ATOM 2294 HG13 VAL A 231 -9.344 -6.282 3.044 1.00 15.00 A H +ATOM 2295 CG2 VAL A 231 -10.752 -7.093 5.219 1.00 15.00 A C +ATOM 2296 HG21 VAL A 231 -11.108 -7.644 4.360 1.00 15.00 A H +ATOM 2297 HG22 VAL A 231 -11.248 -6.135 5.261 1.00 15.00 A H +ATOM 2298 HG23 VAL A 231 -10.966 -7.649 6.120 1.00 15.00 A H +ATOM 2299 C VAL A 231 -9.389 -9.429 4.955 1.00 15.00 A C +ATOM 2300 O VAL A 231 -9.969 -9.820 3.941 1.00 15.00 A O +ATOM 2301 N CYS A 232 -9.511 -10.024 6.147 1.00 15.00 A N +ATOM 2302 HN CYS A 232 -9.030 -9.647 6.914 1.00 15.00 A H +ATOM 2303 CA CYS A 232 -10.333 -11.220 6.342 1.00 15.00 A C +ATOM 2304 HA CYS A 232 -10.717 -11.520 5.384 1.00 15.00 A H +ATOM 2305 HB1 CYS A 232 -10.006 -13.285 6.778 1.00 15.00 A H +ATOM 2306 HB2 CYS A 232 -9.353 -12.178 7.976 1.00 15.00 A H +ATOM 2307 C CYS A 232 -11.500 -10.983 7.299 1.00 15.00 A C +ATOM 2308 O CYS A 232 -11.342 -10.345 8.339 1.00 15.00 A O +ATOM 2309 CB CYS A 232 -9.485 -12.352 6.918 1.00 15.00 A C +ATOM 2310 SG CYS A 232 -7.827 -12.521 6.181 1.00 15.00 A S +ATOM 2311 N ILE A 233 -12.667 -11.530 6.952 1.00 15.00 A N +ATOM 2312 HN ILE A 233 -12.731 -12.014 6.103 1.00 15.00 A H +ATOM 2313 CA ILE A 233 -13.856 -11.418 7.798 1.00 15.00 A C +ATOM 2314 HA ILE A 233 -13.537 -11.083 8.774 1.00 15.00 A H +ATOM 2315 CB ILE A 233 -14.891 -10.405 7.250 1.00 15.00 A C +ATOM 2316 HB ILE A 233 -15.276 -10.790 6.317 1.00 15.00 A H +ATOM 2317 CG1 ILE A 233 -14.252 -9.031 6.997 1.00 15.00 A C +ATOM 2318 HG11 ILE A 233 -13.531 -9.119 6.198 1.00 15.00 A H +ATOM 2319 HG12 ILE A 233 -13.752 -8.700 7.894 1.00 15.00 A H +ATOM 2320 CG2 ILE A 233 -16.064 -10.277 8.218 1.00 15.00 A C +ATOM 2321 HG21 ILE A 233 -15.787 -9.633 9.040 1.00 15.00 A H +ATOM 2322 HG22 ILE A 233 -16.322 -11.254 8.601 1.00 15.00 A H +ATOM 2323 HG23 ILE A 233 -16.915 -9.858 7.703 1.00 15.00 A H +ATOM 2324 CD1 ILE A 233 -15.252 -7.961 6.602 1.00 15.00 A C +ATOM 2325 HD11 ILE A 233 -15.759 -7.601 7.485 1.00 15.00 A H +ATOM 2326 HD12 ILE A 233 -15.976 -8.381 5.920 1.00 15.00 A H +ATOM 2327 HD13 ILE A 233 -14.737 -7.143 6.124 1.00 15.00 A H +ATOM 2328 C ILE A 233 -14.543 -12.778 7.946 1.00 15.00 A C +ATOM 2329 O ILE A 233 -14.997 -13.359 6.955 1.00 15.00 A O +ATOM 2330 N ASN A 234 -14.596 -13.276 9.188 1.00 15.00 A N +ATOM 2331 HN ASN A 234 -14.184 -12.765 9.916 1.00 15.00 A H +ATOM 2332 CA ASN A 234 -15.243 -14.555 9.509 1.00 15.00 A C +ATOM 2333 HA ASN A 234 -15.248 -14.645 10.587 1.00 15.00 A H +ATOM 2334 CB ASN A 234 -16.700 -14.560 9.026 1.00 15.00 A C +ATOM 2335 HB1 ASN A 234 -17.077 -15.571 9.036 1.00 15.00 A H +ATOM 2336 HB2 ASN A 234 -16.739 -14.175 8.017 1.00 15.00 A H +ATOM 2337 CG ASN A 234 -17.598 -13.701 9.896 1.00 15.00 A C +ATOM 2338 OD1 ASN A 234 -17.299 -12.540 10.168 1.00 15.00 A O +ATOM 2339 ND2 ASN A 234 -18.702 -14.278 10.350 1.00 15.00 A N +ATOM 2340 HD21 ASN A 234 -18.871 -15.209 10.102 1.00 15.00 A H +ATOM 2341 HD22 ASN A 234 -19.299 -13.749 10.918 1.00 15.00 A H +ATOM 2342 C ASN A 234 -14.482 -15.757 8.943 1.00 15.00 A C +ATOM 2343 O ASN A 234 -15.011 -16.868 8.895 1.00 15.00 A O +ATOM 2344 N GLY A 235 -13.239 -15.536 8.526 1.00 15.00 A N +ATOM 2345 HN GLY A 235 -12.866 -14.631 8.576 1.00 15.00 A H +ATOM 2346 CA GLY A 235 -12.436 -16.625 7.996 1.00 15.00 A C +ATOM 2347 HA1 GLY A 235 -12.959 -17.554 8.169 1.00 15.00 A H +ATOM 2348 HA2 GLY A 235 -11.498 -16.652 8.532 1.00 15.00 A H +ATOM 2349 C GLY A 235 -12.141 -16.500 6.512 1.00 15.00 A C +ATOM 2350 O GLY A 235 -11.262 -17.192 5.995 1.00 15.00 A O +ATOM 2351 N THR A 236 -12.869 -15.628 5.821 1.00 15.00 A N +ATOM 2352 HN THR A 236 -13.560 -15.107 6.281 1.00 15.00 A H +ATOM 2353 CA THR A 236 -12.661 -15.432 4.389 1.00 15.00 A C +ATOM 2354 HA THR A 236 -12.157 -16.307 4.002 1.00 15.00 A H +ATOM 2355 CB THR A 236 -13.994 -15.270 3.630 1.00 15.00 A C +ATOM 2356 HB THR A 236 -14.401 -14.296 3.852 1.00 15.00 A H +ATOM 2357 OG1 THR A 236 -14.934 -16.275 4.035 1.00 15.00 A O +ATOM 2358 HG1 THR A 236 -14.536 -16.836 4.703 1.00 15.00 A H +ATOM 2359 CG2 THR A 236 -13.761 -15.365 2.129 1.00 15.00 A C +ATOM 2360 HG21 THR A 236 -14.671 -15.119 1.605 1.00 15.00 A H +ATOM 2361 HG22 THR A 236 -13.458 -16.371 1.876 1.00 15.00 A H +ATOM 2362 HG23 THR A 236 -12.981 -14.674 1.844 1.00 15.00 A H +ATOM 2363 C THR A 236 -11.800 -14.200 4.115 1.00 15.00 A C +ATOM 2364 O THR A 236 -12.189 -13.081 4.440 1.00 15.00 A O +ATOM 2365 N CYS A 237 -10.629 -14.419 3.521 1.00 15.00 A N +ATOM 2366 HN CYS A 237 -10.371 -15.339 3.306 1.00 15.00 A H +ATOM 2367 CA CYS A 237 -9.717 -13.329 3.182 1.00 15.00 A C +ATOM 2368 HA CYS A 237 -9.956 -12.480 3.800 1.00 15.00 A H +ATOM 2369 HB1 CYS A 237 -7.614 -12.917 3.213 1.00 15.00 A H +ATOM 2370 HB2 CYS A 237 -8.025 -14.577 2.795 1.00 15.00 A H +ATOM 2371 C CYS A 237 -9.885 -12.939 1.714 1.00 15.00 A C +ATOM 2372 O CYS A 237 -9.978 -13.810 0.849 1.00 15.00 A O +ATOM 2373 CB CYS A 237 -8.268 -13.747 3.438 1.00 15.00 A C +ATOM 2374 SG CYS A 237 -7.929 -14.269 5.150 1.00 15.00 A S +ATOM 2375 N THR A 238 -9.914 -11.639 1.432 1.00 15.00 A N +ATOM 2376 HN THR A 238 -9.801 -10.989 2.155 1.00 15.00 A H +ATOM 2377 CA THR A 238 -10.076 -11.165 0.058 1.00 15.00 A C +ATOM 2378 HA THR A 238 -10.095 -12.037 -0.582 1.00 15.00 A H +ATOM 2379 CB THR A 238 -11.399 -10.396 -0.151 1.00 15.00 A C +ATOM 2380 HB THR A 238 -12.221 -11.047 0.099 1.00 15.00 A H +ATOM 2381 OG1 THR A 238 -11.521 -9.994 -1.520 1.00 15.00 A O +ATOM 2382 HG1 THR A 238 -11.944 -10.691 -2.025 1.00 15.00 A H +ATOM 2383 CG2 THR A 238 -11.466 -9.163 0.733 1.00 15.00 A C +ATOM 2384 HG21 THR A 238 -12.417 -8.671 0.592 1.00 15.00 A H +ATOM 2385 HG22 THR A 238 -10.668 -8.489 0.458 1.00 15.00 A H +ATOM 2386 HG23 THR A 238 -11.355 -9.449 1.767 1.00 15.00 A H +ATOM 2387 C THR A 238 -8.917 -10.280 -0.385 1.00 15.00 A C +ATOM 2388 O THR A 238 -8.484 -9.372 0.332 1.00 15.00 A O +ATOM 2389 N VAL A 239 -8.419 -10.578 -1.577 1.00 15.00 A N +ATOM 2390 HN VAL A 239 -8.789 -11.343 -2.060 1.00 15.00 A H +ATOM 2391 CA VAL A 239 -7.325 -9.836 -2.182 1.00 15.00 A C +ATOM 2392 HA VAL A 239 -7.170 -8.928 -1.622 1.00 15.00 A H +ATOM 2393 CB VAL A 239 -6.028 -10.671 -2.151 1.00 15.00 A C +ATOM 2394 HB VAL A 239 -5.934 -11.092 -1.161 1.00 15.00 A H +ATOM 2395 CG1 VAL A 239 -6.110 -11.839 -3.137 1.00 15.00 A C +ATOM 2396 HG11 VAL A 239 -6.498 -11.487 -4.084 1.00 15.00 A H +ATOM 2397 HG12 VAL A 239 -6.770 -12.595 -2.740 1.00 15.00 A H +ATOM 2398 HG13 VAL A 239 -5.128 -12.259 -3.285 1.00 15.00 A H +ATOM 2399 CG2 VAL A 239 -4.801 -9.802 -2.411 1.00 15.00 A C +ATOM 2400 HG21 VAL A 239 -4.787 -8.980 -1.712 1.00 15.00 A H +ATOM 2401 HG22 VAL A 239 -4.831 -9.416 -3.422 1.00 15.00 A H +ATOM 2402 HG23 VAL A 239 -3.909 -10.396 -2.282 1.00 15.00 A H +ATOM 2403 C VAL A 239 -7.662 -9.484 -3.625 1.00 15.00 A C +ATOM 2404 O VAL A 239 -8.382 -10.218 -4.299 1.00 15.00 A O +ATOM 2405 N VAL A 240 -7.174 -8.347 -4.088 1.00 15.00 A N +ATOM 2406 HN VAL A 240 -6.651 -7.767 -3.494 1.00 15.00 A H +ATOM 2407 CA VAL A 240 -7.426 -7.942 -5.456 1.00 15.00 A C +ATOM 2408 HA VAL A 240 -8.091 -8.683 -5.875 1.00 15.00 A H +ATOM 2409 CB VAL A 240 -8.142 -6.563 -5.548 1.00 15.00 A C +ATOM 2410 HB VAL A 240 -8.857 -6.624 -6.354 1.00 15.00 A H +ATOM 2411 CG1 VAL A 240 -8.917 -6.260 -4.272 1.00 15.00 A C +ATOM 2412 HG11 VAL A 240 -9.450 -7.143 -3.956 1.00 15.00 A H +ATOM 2413 HG12 VAL A 240 -9.623 -5.463 -4.460 1.00 15.00 A H +ATOM 2414 HG13 VAL A 240 -8.230 -5.956 -3.496 1.00 15.00 A H +ATOM 2415 CG2 VAL A 240 -7.183 -5.428 -5.863 1.00 15.00 A C +ATOM 2416 HG21 VAL A 240 -6.856 -5.505 -6.888 1.00 15.00 A H +ATOM 2417 HG22 VAL A 240 -6.328 -5.484 -5.206 1.00 15.00 A H +ATOM 2418 HG23 VAL A 240 -7.687 -4.485 -5.715 1.00 15.00 A H +ATOM 2419 C VAL A 240 -6.137 -7.974 -6.279 1.00 15.00 A C +ATOM 2420 O VAL A 240 -5.101 -7.423 -5.891 1.00 15.00 A O +ATOM 2421 N MET A 241 -6.205 -8.694 -7.387 1.00 15.00 A N +ATOM 2422 HN MET A 241 -7.048 -9.143 -7.605 1.00 15.00 A H +ATOM 2423 CA MET A 241 -5.077 -8.839 -8.291 1.00 15.00 A C +ATOM 2424 HA MET A 241 -4.288 -8.189 -7.946 1.00 15.00 A H +ATOM 2425 CB MET A 241 -4.567 -10.286 -8.303 1.00 15.00 A C +ATOM 2426 HB1 MET A 241 -3.761 -10.364 -9.019 1.00 15.00 A H +ATOM 2427 HB2 MET A 241 -5.371 -10.941 -8.608 1.00 15.00 A H +ATOM 2428 CG MET A 241 -4.051 -10.759 -6.955 1.00 15.00 A C +ATOM 2429 HG1 MET A 241 -4.885 -10.833 -6.273 1.00 15.00 A H +ATOM 2430 HG2 MET A 241 -3.346 -10.034 -6.580 1.00 15.00 A H +ATOM 2431 SD MET A 241 -3.236 -12.361 -7.040 1.00 15.00 A S +ATOM 2432 CE MET A 241 -4.499 -13.416 -6.336 1.00 15.00 A C +ATOM 2433 HE1 MET A 241 -4.271 -13.608 -5.298 1.00 15.00 A H +ATOM 2434 HE2 MET A 241 -4.538 -14.350 -6.877 1.00 15.00 A H +ATOM 2435 HE3 MET A 241 -5.454 -12.925 -6.407 1.00 15.00 A H +ATOM 2436 C MET A 241 -5.482 -8.418 -9.690 1.00 15.00 A C +ATOM 2437 O MET A 241 -6.652 -8.503 -10.060 1.00 15.00 A O +ATOM 2438 N THR A 242 -4.519 -7.937 -10.455 1.00 15.00 A N +ATOM 2439 HN THR A 242 -3.606 -7.879 -10.103 1.00 15.00 A H +ATOM 2440 CA THR A 242 -4.796 -7.492 -11.804 1.00 15.00 A C +ATOM 2441 HA THR A 242 -5.749 -7.905 -12.098 1.00 15.00 A H +ATOM 2442 CB THR A 242 -4.898 -5.954 -11.886 1.00 15.00 A C +ATOM 2443 HB THR A 242 -5.759 -5.698 -12.487 1.00 15.00 A H +ATOM 2444 OG1 THR A 242 -3.728 -5.410 -12.497 1.00 15.00 A O +ATOM 2445 HG1 THR A 242 -3.934 -5.136 -13.392 1.00 15.00 A H +ATOM 2446 CG2 THR A 242 -5.069 -5.332 -10.506 1.00 15.00 A C +ATOM 2447 HG21 THR A 242 -5.288 -4.279 -10.611 1.00 15.00 A H +ATOM 2448 HG22 THR A 242 -4.156 -5.454 -9.941 1.00 15.00 A H +ATOM 2449 HG23 THR A 242 -5.882 -5.820 -9.989 1.00 15.00 A H +ATOM 2450 C THR A 242 -3.734 -7.989 -12.771 1.00 15.00 A C +ATOM 2451 O THR A 242 -2.552 -8.063 -12.438 1.00 15.00 A O +ATOM 2452 N ASP A 243 -4.169 -8.320 -13.974 1.00 15.00 A N +ATOM 2453 HN ASP A 243 -5.125 -8.227 -14.176 1.00 15.00 A H +ATOM 2454 CA ASP A 243 -3.283 -8.822 -14.998 1.00 15.00 A C +ATOM 2455 HA ASP A 243 -2.273 -8.574 -14.723 1.00 15.00 A H +ATOM 2456 CB ASP A 243 -3.424 -10.339 -15.081 1.00 15.00 A C +ATOM 2457 HB1 ASP A 243 -4.210 -10.584 -15.781 1.00 15.00 A H +ATOM 2458 HB2 ASP A 243 -3.693 -10.716 -14.106 1.00 15.00 A H +ATOM 2459 CG ASP A 243 -2.161 -11.038 -15.517 1.00 15.00 A C +ATOM 2460 OD1 ASP A 243 -1.363 -10.428 -16.252 1.00 15.00 A O +ATOM 2461 OD2 ASP A 243 -1.978 -12.205 -15.124 1.00 15.00 A O +ATOM 2462 C ASP A 243 -3.612 -8.181 -16.339 1.00 15.00 A C +ATOM 2463 O ASP A 243 -4.736 -8.281 -16.827 1.00 15.00 A O +ATOM 2464 N GLY A 244 -2.630 -7.512 -16.925 1.00 15.00 A N +ATOM 2465 HN GLY A 244 -1.753 -7.459 -16.486 1.00 15.00 A H +ATOM 2466 CA GLY A 244 -2.845 -6.869 -18.203 1.00 15.00 A C +ATOM 2467 HA1 GLY A 244 -3.853 -6.484 -18.232 1.00 15.00 A H +ATOM 2468 HA2 GLY A 244 -2.731 -7.606 -18.984 1.00 15.00 A H +ATOM 2469 C GLY A 244 -1.881 -5.732 -18.463 1.00 15.00 A C +ATOM 2470 O GLY A 244 -0.711 -5.808 -18.100 1.00 15.00 A O +ATOM 2471 N SER A 245 -2.380 -4.673 -19.089 1.00 15.00 A N +ATOM 2472 HN SER A 245 -3.328 -4.672 -19.338 1.00 15.00 A H +ATOM 2473 CA SER A 245 -1.558 -3.511 -19.423 1.00 15.00 A C +ATOM 2474 HA SER A 245 -0.585 -3.866 -19.725 1.00 15.00 A H +ATOM 2475 CB SER A 245 -2.190 -2.742 -20.586 1.00 15.00 A C +ATOM 2476 HB1 SER A 245 -3.043 -2.185 -20.225 1.00 15.00 A H +ATOM 2477 HB2 SER A 245 -2.514 -3.440 -21.345 1.00 15.00 A H +ATOM 2478 OG SER A 245 -1.263 -1.837 -21.162 1.00 15.00 A O +ATOM 2479 HG SER A 245 -1.732 -1.067 -21.495 1.00 15.00 A H +ATOM 2480 C SER A 245 -1.395 -2.571 -18.233 1.00 15.00 A C +ATOM 2481 O SER A 245 -2.283 -2.465 -17.391 1.00 15.00 A O +ATOM 2482 N ALA A 246 -0.241 -1.905 -18.165 1.00 15.00 A N +ATOM 2483 HN ALA A 246 0.448 -2.073 -18.841 1.00 15.00 A H +ATOM 2484 CA ALA A 246 0.024 -0.946 -17.101 1.00 15.00 A C +ATOM 2485 HA ALA A 246 -0.349 -1.364 -16.175 1.00 15.00 A H +ATOM 2486 CB ALA A 246 1.523 -0.707 -16.951 1.00 15.00 A C +ATOM 2487 HB1 ALA A 246 1.699 -0.007 -16.146 1.00 15.00 A H +ATOM 2488 HB2 ALA A 246 1.919 -0.303 -17.871 1.00 15.00 A H +ATOM 2489 HB3 ALA A 246 2.016 -1.642 -16.727 1.00 15.00 A H +ATOM 2490 C ALA A 246 -0.730 0.354 -17.394 1.00 15.00 A C +ATOM 2491 O ALA A 246 -1.348 0.938 -16.505 1.00 15.00 A O +ATOM 2492 N SER A 247 -0.676 0.797 -18.654 1.00 15.00 A N +ATOM 2493 HN SER A 247 -0.137 0.305 -19.309 1.00 15.00 A H +ATOM 2494 CA SER A 247 -1.396 1.996 -19.086 1.00 15.00 A C +ATOM 2495 HA SER A 247 -1.985 2.342 -18.247 1.00 15.00 A H +ATOM 2496 CB SER A 247 -0.436 3.110 -19.516 1.00 15.00 A C +ATOM 2497 HB1 SER A 247 -1.011 3.954 -19.874 1.00 15.00 A H +ATOM 2498 HB2 SER A 247 0.207 2.749 -20.306 1.00 15.00 A H +ATOM 2499 OG SER A 247 0.371 3.537 -18.434 1.00 15.00 A O +ATOM 2500 HG SER A 247 0.909 2.804 -18.129 1.00 15.00 A H +ATOM 2501 C SER A 247 -2.347 1.634 -20.227 1.00 15.00 A C +ATOM 2502 O SER A 247 -2.096 1.941 -21.394 1.00 15.00 A O +ATOM 2503 N GLY A 248 -3.432 0.962 -19.861 1.00 15.00 A N +ATOM 2504 HN GLY A 248 -3.566 0.767 -18.911 1.00 15.00 A H +ATOM 2505 CA GLY A 248 -4.429 0.520 -20.821 1.00 15.00 A C +ATOM 2506 HA1 GLY A 248 -3.943 -0.037 -21.610 1.00 15.00 A H +ATOM 2507 HA2 GLY A 248 -4.925 1.383 -21.248 1.00 15.00 A H +ATOM 2508 C GLY A 248 -5.458 -0.368 -20.151 1.00 15.00 A C +ATOM 2509 O GLY A 248 -5.522 -0.408 -18.922 1.00 15.00 A O +ATOM 2510 N ARG A 249 -6.268 -1.080 -20.931 1.00 15.00 A N +ATOM 2511 HN ARG A 249 -6.202 -1.001 -21.906 1.00 15.00 A H +ATOM 2512 CA ARG A 249 -7.271 -1.961 -20.338 1.00 15.00 A C +ATOM 2513 HA ARG A 249 -7.735 -1.415 -19.534 1.00 15.00 A H +ATOM 2514 CB ARG A 249 -8.350 -2.355 -21.340 1.00 15.00 A C +ATOM 2515 HB1 ARG A 249 -7.899 -2.939 -22.129 1.00 15.00 A H +ATOM 2516 HB2 ARG A 249 -8.784 -1.460 -21.763 1.00 15.00 A H +ATOM 2517 CG ARG A 249 -9.463 -3.183 -20.709 1.00 15.00 A C +ATOM 2518 HG1 ARG A 249 -9.441 -3.045 -19.639 1.00 15.00 A H +ATOM 2519 HG2 ARG A 249 -9.295 -4.223 -20.938 1.00 15.00 A H +ATOM 2520 CD ARG A 249 -10.831 -2.780 -21.228 1.00 15.00 A C +ATOM 2521 HD1 ARG A 249 -10.923 -1.704 -21.174 1.00 15.00 A H +ATOM 2522 HD2 ARG A 249 -11.588 -3.238 -20.604 1.00 15.00 A H +ATOM 2523 NE ARG A 249 -11.028 -3.205 -22.609 1.00 15.00 A N +ATOM 2524 HE ARG A 249 -11.182 -4.157 -22.766 1.00 15.00 A H +ATOM 2525 CZ ARG A 249 -10.998 -2.383 -23.656 1.00 15.00 A C +ATOM 2526 NH1 ARG A 249 -10.794 -1.083 -23.485 1.00 15.00 A N +ATOM 2527 HH11 ARG A 249 -10.767 -0.448 -24.309 1.00 15.00 A H +ATOM 2528 HH12 ARG A 249 -10.665 -0.696 -22.529 1.00 15.00 A H +ATOM 2529 NH2 ARG A 249 -11.178 -2.861 -24.878 1.00 15.00 A N +ATOM 2530 HH21 ARG A 249 -11.160 -2.219 -25.695 1.00 15.00 A H +ATOM 2531 HH22 ARG A 249 -11.336 -3.882 -25.021 1.00 15.00 A H +ATOM 2532 C ARG A 249 -6.630 -3.210 -19.749 1.00 15.00 A C +ATOM 2533 O ARG A 249 -5.865 -3.914 -20.415 1.00 15.00 A O +ATOM 2534 N ALA A 250 -6.963 -3.480 -18.491 1.00 15.00 A N +ATOM 2535 HN ALA A 250 -7.589 -2.885 -18.029 1.00 15.00 A H +ATOM 2536 CA ALA A 250 -6.424 -4.633 -17.781 1.00 15.00 A C +ATOM 2537 HA ALA A 250 -5.865 -5.226 -18.487 1.00 15.00 A H +ATOM 2538 CB ALA A 250 -5.464 -4.164 -16.697 1.00 15.00 A C +ATOM 2539 HB1 ALA A 250 -5.131 -5.010 -16.118 1.00 15.00 A H +ATOM 2540 HB2 ALA A 250 -5.966 -3.457 -16.052 1.00 15.00 A H +ATOM 2541 HB3 ALA A 250 -4.611 -3.685 -17.159 1.00 15.00 A H +ATOM 2542 C ALA A 250 -7.531 -5.502 -17.177 1.00 15.00 A C +ATOM 2543 O ALA A 250 -8.687 -5.082 -17.076 1.00 15.00 A O +ATOM 2544 N ASP A 251 -7.154 -6.720 -16.790 1.00 15.00 A N +ATOM 2545 HN ASP A 251 -6.221 -6.988 -16.925 1.00 15.00 A H +ATOM 2546 CA ASP A 251 -8.078 -7.677 -16.181 1.00 15.00 A C +ATOM 2547 HA ASP A 251 -9.084 -7.377 -16.421 1.00 15.00 A H +ATOM 2548 CB ASP A 251 -7.818 -9.080 -16.741 1.00 15.00 A C +ATOM 2549 HB1 ASP A 251 -6.942 -9.494 -16.258 1.00 15.00 A H +ATOM 2550 HB2 ASP A 251 -7.634 -9.009 -17.802 1.00 15.00 A H +ATOM 2551 CG ASP A 251 -8.979 -10.033 -16.520 1.00 15.00 A C +ATOM 2552 OD1 ASP A 251 -9.522 -10.060 -15.396 1.00 15.00 A O +ATOM 2553 OD2 ASP A 251 -9.336 -10.761 -17.469 1.00 15.00 A O +ATOM 2554 C ASP A 251 -7.904 -7.688 -14.663 1.00 15.00 A C +ATOM 2555 O ASP A 251 -6.839 -8.025 -14.162 1.00 15.00 A O +ATOM 2556 N THR A 252 -8.950 -7.322 -13.932 1.00 15.00 A N +ATOM 2557 HN THR A 252 -9.779 -7.061 -14.379 1.00 15.00 A H +ATOM 2558 CA THR A 252 -8.881 -7.295 -12.470 1.00 15.00 A C +ATOM 2559 HA THR A 252 -7.870 -7.546 -12.186 1.00 15.00 A H +ATOM 2560 CB THR A 252 -9.191 -5.881 -11.928 1.00 15.00 A C +ATOM 2561 HB THR A 252 -10.096 -5.520 -12.397 1.00 15.00 A H +ATOM 2562 OG1 THR A 252 -8.117 -4.990 -12.254 1.00 15.00 A O +ATOM 2563 HG1 THR A 252 -7.611 -4.797 -11.461 1.00 15.00 A H +ATOM 2564 CG2 THR A 252 -9.394 -5.896 -10.419 1.00 15.00 A C +ATOM 2565 HG21 THR A 252 -10.083 -6.685 -10.158 1.00 15.00 A H +ATOM 2566 HG22 THR A 252 -9.797 -4.947 -10.099 1.00 15.00 A H +ATOM 2567 HG23 THR A 252 -8.447 -6.070 -9.931 1.00 15.00 A H +ATOM 2568 C THR A 252 -9.835 -8.313 -11.831 1.00 15.00 A C +ATOM 2569 O THR A 252 -11.025 -8.347 -12.147 1.00 15.00 A O +ATOM 2570 N ARG A 253 -9.300 -9.152 -10.936 1.00 15.00 A N +ATOM 2571 HN ARG A 253 -8.340 -9.097 -10.744 1.00 15.00 A H +ATOM 2572 CA ARG A 253 -10.109 -10.159 -10.247 1.00 15.00 A C +ATOM 2573 HA ARG A 253 -11.141 -9.984 -10.502 1.00 15.00 A H +ATOM 2574 CB ARG A 253 -9.723 -11.576 -10.678 1.00 15.00 A C +ATOM 2575 HB1 ARG A 253 -10.576 -12.223 -10.533 1.00 15.00 A H +ATOM 2576 HB2 ARG A 253 -8.915 -11.920 -10.051 1.00 15.00 A H +ATOM 2577 CG ARG A 253 -9.283 -11.691 -12.123 1.00 15.00 A C +ATOM 2578 HG1 ARG A 253 -8.461 -12.390 -12.178 1.00 15.00 A H +ATOM 2579 HG2 ARG A 253 -8.962 -10.720 -12.472 1.00 15.00 A H +ATOM 2580 CD ARG A 253 -10.415 -12.179 -13.009 1.00 15.00 A C +ATOM 2581 HD1 ARG A 253 -10.452 -11.562 -13.897 1.00 15.00 A H +ATOM 2582 HD2 ARG A 253 -11.343 -12.083 -12.466 1.00 15.00 A H +ATOM 2583 NE ARG A 253 -10.242 -13.573 -13.407 1.00 15.00 A N +ATOM 2584 HE ARG A 253 -10.542 -14.264 -12.782 1.00 15.00 A H +ATOM 2585 CZ ARG A 253 -9.691 -13.947 -14.560 1.00 15.00 A C +ATOM 2586 NH1 ARG A 253 -9.262 -13.032 -15.415 1.00 15.00 A N +ATOM 2587 HH11 ARG A 253 -8.823 -13.321 -16.311 1.00 15.00 A H +ATOM 2588 HH12 ARG A 253 -9.368 -12.022 -15.191 1.00 15.00 A H +ATOM 2589 NH2 ARG A 253 -9.590 -15.232 -14.869 1.00 15.00 A N +ATOM 2590 HH21 ARG A 253 -9.943 -15.958 -14.212 1.00 15.00 A H +ATOM 2591 HH22 ARG A 253 -9.157 -15.516 -15.772 1.00 15.00 A H +ATOM 2592 C ARG A 253 -9.952 -10.055 -8.732 1.00 15.00 A C +ATOM 2593 O ARG A 253 -8.855 -9.825 -8.227 1.00 15.00 A O +ATOM 2594 N ILE A 254 -11.057 -10.240 -8.018 1.00 15.00 A N +ATOM 2595 HN ILE A 254 -11.901 -10.404 -8.488 1.00 15.00 A H +ATOM 2596 CA ILE A 254 -11.057 -10.199 -6.559 1.00 15.00 A C +ATOM 2597 HA ILE A 254 -10.109 -9.800 -6.231 1.00 15.00 A H +ATOM 2598 CB ILE A 254 -12.195 -9.298 -6.008 1.00 15.00 A C +ATOM 2599 HB ILE A 254 -13.103 -9.542 -6.539 1.00 15.00 A H +ATOM 2600 CG1 ILE A 254 -11.879 -7.808 -6.218 1.00 15.00 A C +ATOM 2601 HG11 ILE A 254 -10.834 -7.637 -6.001 1.00 15.00 A H +ATOM 2602 HG12 ILE A 254 -12.482 -7.225 -5.538 1.00 15.00 A H +ATOM 2603 CG2 ILE A 254 -12.428 -9.577 -4.531 1.00 15.00 A C +ATOM 2604 HG21 ILE A 254 -13.419 -9.249 -4.255 1.00 15.00 A H +ATOM 2605 HG22 ILE A 254 -11.695 -9.044 -3.945 1.00 15.00 A H +ATOM 2606 HG23 ILE A 254 -12.334 -10.636 -4.346 1.00 15.00 A H +ATOM 2607 CD1 ILE A 254 -12.153 -7.306 -7.618 1.00 15.00 A C +ATOM 2608 HD11 ILE A 254 -13.176 -7.521 -7.884 1.00 15.00 A H +ATOM 2609 HD12 ILE A 254 -11.487 -7.798 -8.313 1.00 15.00 A H +ATOM 2610 HD13 ILE A 254 -11.987 -6.241 -7.657 1.00 15.00 A H +ATOM 2611 C ILE A 254 -11.217 -11.617 -6.011 1.00 15.00 A C +ATOM 2612 O ILE A 254 -12.268 -12.243 -6.174 1.00 15.00 A O +ATOM 2613 N LEU A 255 -10.174 -12.129 -5.367 1.00 15.00 A N +ATOM 2614 HN LEU A 255 -9.359 -11.592 -5.257 1.00 15.00 A H +ATOM 2615 CA LEU A 255 -10.215 -13.484 -4.834 1.00 15.00 A C +ATOM 2616 HA LEU A 255 -10.878 -14.060 -5.453 1.00 15.00 A H +ATOM 2617 CB LEU A 255 -8.835 -14.165 -4.851 1.00 15.00 A C +ATOM 2618 HB1 LEU A 255 -8.976 -15.199 -4.571 1.00 15.00 A H +ATOM 2619 HB2 LEU A 255 -8.228 -13.696 -4.092 1.00 15.00 A H +ATOM 2620 CG LEU A 255 -8.042 -14.140 -6.165 1.00 15.00 A C +ATOM 2621 HG LEU A 255 -7.312 -13.348 -6.112 1.00 15.00 A H +ATOM 2622 CD1 LEU A 255 -7.287 -15.448 -6.341 1.00 15.00 A C +ATOM 2623 HD11 LEU A 255 -7.985 -16.271 -6.336 1.00 15.00 A H +ATOM 2624 HD12 LEU A 255 -6.581 -15.570 -5.532 1.00 15.00 A H +ATOM 2625 HD13 LEU A 255 -6.756 -15.433 -7.281 1.00 15.00 A H +ATOM 2626 CD2 LEU A 255 -8.935 -13.879 -7.369 1.00 15.00 A C +ATOM 2627 HD21 LEU A 255 -9.562 -13.022 -7.169 1.00 15.00 A H +ATOM 2628 HD22 LEU A 255 -9.553 -14.741 -7.552 1.00 15.00 A H +ATOM 2629 HD23 LEU A 255 -8.322 -13.682 -8.233 1.00 15.00 A H +ATOM 2630 C LEU A 255 -10.723 -13.539 -3.409 1.00 15.00 A C +ATOM 2631 O LEU A 255 -10.456 -12.663 -2.588 1.00 15.00 A O +ATOM 2632 N PHE A 256 -11.453 -14.604 -3.149 1.00 15.00 A N +ATOM 2633 HN PHE A 256 -11.662 -15.216 -3.885 1.00 15.00 A H +ATOM 2634 CA PHE A 256 -11.960 -14.919 -1.829 1.00 15.00 A C +ATOM 2635 HA PHE A 256 -11.623 -14.154 -1.144 1.00 15.00 A H +ATOM 2636 CB PHE A 256 -13.485 -15.032 -1.807 1.00 15.00 A C +ATOM 2637 HB1 PHE A 256 -13.795 -15.385 -0.841 1.00 15.00 A H +ATOM 2638 HB2 PHE A 256 -13.800 -15.741 -2.550 1.00 15.00 A H +ATOM 2639 CG PHE A 256 -14.188 -13.731 -2.077 1.00 15.00 A C +ATOM 2640 CD1 PHE A 256 -14.418 -13.315 -3.383 1.00 15.00 A C +ATOM 2641 HD1 PHE A 256 -14.094 -13.935 -4.202 1.00 15.00 A H +ATOM 2642 CD2 PHE A 256 -14.616 -12.924 -1.031 1.00 15.00 A C +ATOM 2643 HD2 PHE A 256 -14.442 -13.238 -0.017 1.00 15.00 A H +ATOM 2644 CE1 PHE A 256 -15.066 -12.123 -3.634 1.00 15.00 A C +ATOM 2645 HE1 PHE A 256 -15.237 -11.809 -4.654 1.00 15.00 A H +ATOM 2646 CE2 PHE A 256 -15.266 -11.732 -1.284 1.00 15.00 A C +ATOM 2647 HE2 PHE A 256 -15.612 -11.121 -0.464 1.00 15.00 A H +ATOM 2648 CZ PHE A 256 -15.494 -11.330 -2.589 1.00 15.00 A C +ATOM 2649 HZ PHE A 256 -16.007 -10.402 -2.787 1.00 15.00 A H +ATOM 2650 C PHE A 256 -11.308 -16.235 -1.468 1.00 15.00 A C +ATOM 2651 O PHE A 256 -11.487 -17.223 -2.171 1.00 15.00 A O +ATOM 2652 N ILE A 257 -10.512 -16.240 -0.419 1.00 15.00 A N +ATOM 2653 HN ILE A 257 -10.415 -15.425 0.120 1.00 15.00 A H +ATOM 2654 CA ILE A 257 -9.783 -17.442 -0.054 1.00 15.00 A C +ATOM 2655 HA ILE A 257 -10.212 -18.255 -0.623 1.00 15.00 A H +ATOM 2656 CB ILE A 257 -8.290 -17.305 -0.490 1.00 15.00 A C +ATOM 2657 HB ILE A 257 -8.121 -18.005 -1.297 1.00 15.00 A H +ATOM 2658 CG1 ILE A 257 -7.322 -17.620 0.644 1.00 15.00 A C +ATOM 2659 HG11 ILE A 257 -7.526 -18.609 1.025 1.00 15.00 A H +ATOM 2660 HG12 ILE A 257 -7.453 -16.894 1.433 1.00 15.00 A H +ATOM 2661 CG2 ILE A 257 -8.009 -15.906 -1.029 1.00 15.00 A C +ATOM 2662 HG21 ILE A 257 -7.810 -15.234 -0.208 1.00 15.00 A H +ATOM 2663 HG22 ILE A 257 -8.868 -15.553 -1.581 1.00 15.00 A H +ATOM 2664 HG23 ILE A 257 -7.150 -15.937 -1.684 1.00 15.00 A H +ATOM 2665 CD1 ILE A 257 -5.871 -17.573 0.222 1.00 15.00 A C +ATOM 2666 HD11 ILE A 257 -5.742 -18.138 -0.685 1.00 15.00 A H +ATOM 2667 HD12 ILE A 257 -5.259 -17.996 1.001 1.00 15.00 A H +ATOM 2668 HD13 ILE A 257 -5.578 -16.547 0.054 1.00 15.00 A H +ATOM 2669 C ILE A 257 -9.920 -17.777 1.435 1.00 15.00 A C +ATOM 2670 O ILE A 257 -9.759 -16.919 2.302 1.00 15.00 A O +ATOM 2671 N GLU A 258 -10.241 -19.044 1.706 1.00 15.00 A N +ATOM 2672 HN GLU A 258 -10.362 -19.669 0.960 1.00 15.00 A H +ATOM 2673 CA GLU A 258 -10.426 -19.532 3.071 1.00 15.00 A C +ATOM 2674 HA GLU A 258 -10.354 -18.687 3.738 1.00 15.00 A H +ATOM 2675 CB GLU A 258 -11.817 -20.163 3.215 1.00 15.00 A C +ATOM 2676 HB1 GLU A 258 -11.920 -20.546 4.221 1.00 15.00 A H +ATOM 2677 HB2 GLU A 258 -11.898 -20.983 2.519 1.00 15.00 A H +ATOM 2678 CG GLU A 258 -12.977 -19.211 2.952 1.00 15.00 A C +ATOM 2679 HG1 GLU A 258 -12.795 -18.689 2.024 1.00 15.00 A H +ATOM 2680 HG2 GLU A 258 -13.034 -18.497 3.762 1.00 15.00 A H +ATOM 2681 CD GLU A 258 -14.310 -19.934 2.849 1.00 15.00 A C +ATOM 2682 OE1 GLU A 258 -14.390 -21.096 3.301 1.00 15.00 A O +ATOM 2683 OE2 GLU A 258 -15.271 -19.341 2.313 1.00 15.00 A O +ATOM 2684 C GLU A 258 -9.354 -20.561 3.447 1.00 15.00 A C +ATOM 2685 O GLU A 258 -9.300 -21.648 2.866 1.00 15.00 A O +ATOM 2686 N GLU A 259 -8.514 -20.206 4.426 1.00 15.00 A N +ATOM 2687 HN GLU A 259 -8.622 -19.323 4.839 1.00 15.00 A H +ATOM 2688 CA GLU A 259 -7.438 -21.080 4.912 1.00 15.00 A C +ATOM 2689 HA GLU A 259 -6.937 -20.555 5.712 1.00 15.00 A H +ATOM 2690 CB GLU A 259 -8.006 -22.389 5.477 1.00 15.00 A C +ATOM 2691 HB1 GLU A 259 -7.217 -23.127 5.513 1.00 15.00 A H +ATOM 2692 HB2 GLU A 259 -8.786 -22.741 4.819 1.00 15.00 A H +ATOM 2693 CG GLU A 259 -8.591 -22.250 6.874 1.00 15.00 A C +ATOM 2694 HG1 GLU A 259 -9.364 -21.493 6.854 1.00 15.00 A H +ATOM 2695 HG2 GLU A 259 -7.807 -21.942 7.550 1.00 15.00 A H +ATOM 2696 CD GLU A 259 -9.195 -23.542 7.393 1.00 15.00 A C +ATOM 2697 OE1 GLU A 259 -10.114 -24.074 6.736 1.00 15.00 A O +ATOM 2698 OE2 GLU A 259 -8.752 -24.018 8.461 1.00 15.00 A O +ATOM 2699 C GLU A 259 -6.403 -21.378 3.825 1.00 15.00 A C +ATOM 2700 O GLU A 259 -5.865 -22.484 3.754 1.00 15.00 A O +ATOM 2701 N GLY A 260 -6.126 -20.386 2.980 1.00 15.00 A N +ATOM 2702 HN GLY A 260 -6.597 -19.532 3.067 1.00 15.00 A H +ATOM 2703 CA GLY A 260 -5.138 -20.564 1.929 1.00 15.00 A C +ATOM 2704 HA1 GLY A 260 -4.383 -21.253 2.281 1.00 15.00 A H +ATOM 2705 HA2 GLY A 260 -4.669 -19.614 1.728 1.00 15.00 A H +ATOM 2706 C GLY A 260 -5.720 -21.104 0.637 1.00 15.00 A C +ATOM 2707 O GLY A 260 -5.079 -21.034 -0.409 1.00 15.00 A O +ATOM 2708 N LYS A 261 -6.933 -21.632 0.704 1.00 15.00 A N +ATOM 2709 HN LYS A 261 -7.409 -21.634 1.563 1.00 15.00 A H +ATOM 2710 CA LYS A 261 -7.579 -22.209 -0.468 1.00 15.00 A C +ATOM 2711 HA LYS A 261 -6.806 -22.479 -1.170 1.00 15.00 A H +ATOM 2712 CB LYS A 261 -8.333 -23.477 -0.050 1.00 15.00 A C +ATOM 2713 HB1 LYS A 261 -8.965 -23.240 0.794 1.00 15.00 A H +ATOM 2714 HB2 LYS A 261 -7.614 -24.219 0.258 1.00 15.00 A H +ATOM 2715 CG LYS A 261 -9.207 -24.077 -1.142 1.00 15.00 A C +ATOM 2716 HG1 LYS A 261 -9.901 -23.323 -1.485 1.00 15.00 A H +ATOM 2717 HG2 LYS A 261 -9.754 -24.913 -0.733 1.00 15.00 A H +ATOM 2718 CD LYS A 261 -8.383 -24.564 -2.323 1.00 15.00 A C +ATOM 2719 HD1 LYS A 261 -7.891 -23.719 -2.781 1.00 15.00 A H +ATOM 2720 HD2 LYS A 261 -9.042 -25.028 -3.043 1.00 15.00 A H +ATOM 2721 CE LYS A 261 -7.335 -25.575 -1.897 1.00 15.00 A C +ATOM 2722 HE1 LYS A 261 -7.835 -26.465 -1.541 1.00 15.00 A H +ATOM 2723 HE2 LYS A 261 -6.745 -25.149 -1.100 1.00 15.00 A H +ATOM 2724 NZ LYS A 261 -6.430 -25.941 -3.019 1.00 15.00 A N +ATOM 2725 HZ1 LYS A 261 -6.972 -26.391 -3.783 1.00 15.00 A H +ATOM 2726 HZ2 LYS A 261 -5.701 -26.605 -2.688 1.00 15.00 A H +ATOM 2727 HZ3 LYS A 261 -5.965 -25.089 -3.391 1.00 15.00 A H +ATOM 2728 C LYS A 261 -8.541 -21.224 -1.137 1.00 15.00 A C +ATOM 2729 O LYS A 261 -9.461 -20.724 -0.499 1.00 15.00 A O +ATOM 2730 N ILE A 262 -8.318 -20.955 -2.433 1.00 15.00 A N +ATOM 2731 HN ILE A 262 -7.549 -21.371 -2.881 1.00 15.00 A H +ATOM 2732 CA ILE A 262 -9.187 -20.056 -3.197 1.00 15.00 A C +ATOM 2733 HA ILE A 262 -9.252 -19.117 -2.666 1.00 15.00 A H +ATOM 2734 CB ILE A 262 -8.629 -19.784 -4.620 1.00 15.00 A C +ATOM 2735 HB ILE A 262 -8.555 -20.725 -5.140 1.00 15.00 A H +ATOM 2736 CG1 ILE A 262 -7.235 -19.149 -4.542 1.00 15.00 A C +ATOM 2737 HG11 ILE A 262 -6.623 -19.719 -3.861 1.00 15.00 A H +ATOM 2738 HG12 ILE A 262 -7.331 -18.137 -4.175 1.00 15.00 A H +ATOM 2739 CG2 ILE A 262 -9.568 -18.882 -5.413 1.00 15.00 A C +ATOM 2740 HG21 ILE A 262 -9.562 -17.889 -4.986 1.00 15.00 A H +ATOM 2741 HG22 ILE A 262 -10.569 -19.282 -5.380 1.00 15.00 A H +ATOM 2742 HG23 ILE A 262 -9.235 -18.830 -6.441 1.00 15.00 A H +ATOM 2743 CD1 ILE A 262 -6.520 -19.085 -5.875 1.00 15.00 A C +ATOM 2744 HD11 ILE A 262 -6.455 -20.074 -6.299 1.00 15.00 A H +ATOM 2745 HD12 ILE A 262 -5.525 -18.690 -5.729 1.00 15.00 A H +ATOM 2746 HD13 ILE A 262 -7.067 -18.438 -6.549 1.00 15.00 A H +ATOM 2747 C ILE A 262 -10.583 -20.670 -3.302 1.00 15.00 A C +ATOM 2748 O ILE A 262 -10.757 -21.749 -3.869 1.00 15.00 A O +ATOM 2749 N VAL A 263 -11.573 -19.973 -2.752 1.00 15.00 A N +ATOM 2750 HN VAL A 263 -11.378 -19.102 -2.348 1.00 15.00 A H +ATOM 2751 CA VAL A 263 -12.944 -20.467 -2.752 1.00 15.00 A C +ATOM 2752 HA VAL A 263 -12.908 -21.514 -3.011 1.00 15.00 A H +ATOM 2753 CB VAL A 263 -13.583 -20.354 -1.345 1.00 15.00 A C +ATOM 2754 HB VAL A 263 -14.612 -20.678 -1.412 1.00 15.00 A H +ATOM 2755 CG1 VAL A 263 -12.863 -21.266 -0.362 1.00 15.00 A C +ATOM 2756 HG11 VAL A 263 -13.317 -21.179 0.614 1.00 15.00 A H +ATOM 2757 HG12 VAL A 263 -11.825 -20.975 -0.303 1.00 15.00 A H +ATOM 2758 HG13 VAL A 263 -12.930 -22.288 -0.704 1.00 15.00 A H +ATOM 2759 CG2 VAL A 263 -13.562 -18.918 -0.847 1.00 15.00 A C +ATOM 2760 HG21 VAL A 263 -13.941 -18.263 -1.619 1.00 15.00 A H +ATOM 2761 HG22 VAL A 263 -12.548 -18.637 -0.605 1.00 15.00 A H +ATOM 2762 HG23 VAL A 263 -14.179 -18.831 0.033 1.00 15.00 A H +ATOM 2763 C VAL A 263 -13.823 -19.751 -3.776 1.00 15.00 A C +ATOM 2764 O VAL A 263 -14.917 -20.227 -4.087 1.00 15.00 A O +ATOM 2765 N HIS A 264 -13.351 -18.621 -4.315 1.00 15.00 A N +ATOM 2766 HN HIS A 264 -12.467 -18.286 -4.048 1.00 15.00 A H +ATOM 2767 CA HIS A 264 -14.141 -17.877 -5.305 1.00 15.00 A C +ATOM 2768 HA HIS A 264 -14.436 -18.573 -6.073 1.00 15.00 A H +ATOM 2769 CB HIS A 264 -15.408 -17.301 -4.650 1.00 15.00 A C +ATOM 2770 HB1 HIS A 264 -15.147 -16.406 -4.103 1.00 15.00 A H +ATOM 2771 HB2 HIS A 264 -15.811 -18.031 -3.963 1.00 15.00 A H +ATOM 2772 CG HIS A 264 -16.483 -16.944 -5.636 1.00 15.00 A C +ATOM 2773 ND1 HIS A 264 -16.442 -15.803 -6.406 1.00 15.00 A N +ATOM 2774 HD1 HIS A 264 -15.735 -15.124 -6.388 1.00 15.00 A H +ATOM 2775 CD2 HIS A 264 -17.625 -17.591 -5.988 1.00 15.00 A C +ATOM 2776 HD2 HIS A 264 -17.996 -18.515 -5.564 1.00 15.00 A H +ATOM 2777 CE1 HIS A 264 -17.504 -15.762 -7.190 1.00 15.00 A C +ATOM 2778 HE1 HIS A 264 -17.729 -14.987 -7.910 1.00 15.00 A H +ATOM 2779 NE2 HIS A 264 -18.235 -16.835 -6.958 1.00 15.00 A N +ATOM 2780 HE2 HIS A 264 -19.078 -17.054 -7.410 1.00 15.00 A H +ATOM 2781 C HIS A 264 -13.347 -16.739 -5.957 1.00 15.00 A C +ATOM 2782 O HIS A 264 -12.505 -16.106 -5.323 1.00 15.00 A O +ATOM 2783 N ILE A 265 -13.642 -16.481 -7.238 1.00 15.00 A N +ATOM 2784 HN ILE A 265 -14.325 -17.023 -7.683 1.00 15.00 A H +ATOM 2785 CA ILE A 265 -12.994 -15.407 -7.997 1.00 15.00 A C +ATOM 2786 HA ILE A 265 -12.436 -14.797 -7.304 1.00 15.00 A H +ATOM 2787 CB ILE A 265 -12.019 -15.946 -9.070 1.00 15.00 A C +ATOM 2788 HB ILE A 265 -12.583 -16.549 -9.768 1.00 15.00 A H +ATOM 2789 CG1 ILE A 265 -10.946 -16.816 -8.410 1.00 15.00 A C +ATOM 2790 HG11 ILE A 265 -11.383 -17.767 -8.142 1.00 15.00 A H +ATOM 2791 HG12 ILE A 265 -10.596 -16.323 -7.520 1.00 15.00 A H +ATOM 2792 CG2 ILE A 265 -11.389 -14.791 -9.845 1.00 15.00 A C +ATOM 2793 HG21 ILE A 265 -10.841 -15.180 -10.691 1.00 15.00 A H +ATOM 2794 HG22 ILE A 265 -10.712 -14.251 -9.199 1.00 15.00 A H +ATOM 2795 HG23 ILE A 265 -12.162 -14.124 -10.193 1.00 15.00 A H +ATOM 2796 CD1 ILE A 265 -9.745 -17.090 -9.286 1.00 15.00 A C +ATOM 2797 HD11 ILE A 265 -9.094 -17.796 -8.795 1.00 15.00 A H +ATOM 2798 HD12 ILE A 265 -9.210 -16.167 -9.457 1.00 15.00 A H +ATOM 2799 HD13 ILE A 265 -10.073 -17.496 -10.230 1.00 15.00 A H +ATOM 2800 C ILE A 265 -14.050 -14.541 -8.675 1.00 15.00 A C +ATOM 2801 O ILE A 265 -14.844 -15.028 -9.481 1.00 15.00 A O +ATOM 2802 N SER A 266 -14.056 -13.255 -8.348 1.00 15.00 A N +ATOM 2803 HN SER A 266 -13.380 -12.918 -7.718 1.00 15.00 A H +ATOM 2804 CA SER A 266 -15.033 -12.328 -8.907 1.00 15.00 A C +ATOM 2805 HA SER A 266 -15.685 -12.894 -9.552 1.00 15.00 A H +ATOM 2806 CB SER A 266 -15.862 -11.710 -7.782 1.00 15.00 A C +ATOM 2807 HB1 SER A 266 -16.577 -11.020 -8.203 1.00 15.00 A H +ATOM 2808 HB2 SER A 266 -15.211 -11.185 -7.097 1.00 15.00 A H +ATOM 2809 OG SER A 266 -16.561 -12.712 -7.068 1.00 15.00 A O +ATOM 2810 HG SER A 266 -17.258 -13.071 -7.622 1.00 15.00 A H +ATOM 2811 C SER A 266 -14.364 -11.232 -9.734 1.00 15.00 A C +ATOM 2812 O SER A 266 -13.523 -10.494 -9.229 1.00 15.00 A O +ATOM 2813 N PRO A 267 -14.752 -11.098 -11.019 1.00 15.00 A N +ATOM 2814 CA PRO A 267 -14.185 -10.079 -11.907 1.00 15.00 A C +ATOM 2815 HA PRO A 267 -13.104 -10.132 -11.931 1.00 15.00 A H +ATOM 2816 CB PRO A 267 -14.756 -10.441 -13.281 1.00 15.00 A C +ATOM 2817 HB1 PRO A 267 -14.059 -11.065 -13.819 1.00 15.00 A H +ATOM 2818 HB2 PRO A 267 -14.967 -9.537 -13.841 1.00 15.00 A H +ATOM 2819 CG PRO A 267 -16.008 -11.196 -12.996 1.00 15.00 A C +ATOM 2820 HG1 PRO A 267 -16.192 -11.913 -13.783 1.00 15.00 A H +ATOM 2821 HG2 PRO A 267 -16.838 -10.505 -12.917 1.00 15.00 A H +ATOM 2822 CD PRO A 267 -15.788 -11.909 -11.691 1.00 15.00 A C +ATOM 2823 HD1 PRO A 267 -15.438 -12.917 -11.862 1.00 15.00 A H +ATOM 2824 HD2 PRO A 267 -16.700 -11.919 -11.112 1.00 15.00 A H +ATOM 2825 C PRO A 267 -14.620 -8.678 -11.482 1.00 15.00 A C +ATOM 2826 O PRO A 267 -15.664 -8.513 -10.850 1.00 15.00 A O +ATOM 2827 N LEU A 268 -13.819 -7.673 -11.821 1.00 15.00 A N +ATOM 2828 HN LEU A 268 -13.001 -7.863 -12.330 1.00 15.00 A H +ATOM 2829 CA LEU A 268 -14.126 -6.294 -11.449 1.00 15.00 A C +ATOM 2830 HA LEU A 268 -14.272 -6.273 -10.378 1.00 15.00 A H +ATOM 2831 CB LEU A 268 -12.956 -5.361 -11.797 1.00 15.00 A C +ATOM 2832 HB1 LEU A 268 -12.762 -5.440 -12.857 1.00 15.00 A H +ATOM 2833 HB2 LEU A 268 -12.082 -5.701 -11.263 1.00 15.00 A H +ATOM 2834 CG LEU A 268 -13.182 -3.878 -11.462 1.00 15.00 A C +ATOM 2835 HG LEU A 268 -14.068 -3.533 -11.974 1.00 15.00 A H +ATOM 2836 CD1 LEU A 268 -13.400 -3.685 -9.967 1.00 15.00 A C +ATOM 2837 HD11 LEU A 268 -12.769 -4.366 -9.419 1.00 15.00 A H +ATOM 2838 HD12 LEU A 268 -14.435 -3.881 -9.728 1.00 15.00 A H +ATOM 2839 HD13 LEU A 268 -13.156 -2.668 -9.695 1.00 15.00 A H +ATOM 2840 CD2 LEU A 268 -12.008 -3.037 -11.942 1.00 15.00 A C +ATOM 2841 HD21 LEU A 268 -11.161 -3.197 -11.291 1.00 15.00 A H +ATOM 2842 HD22 LEU A 268 -12.283 -1.993 -11.925 1.00 15.00 A H +ATOM 2843 HD23 LEU A 268 -11.746 -3.325 -12.948 1.00 15.00 A H +ATOM 2844 C LEU A 268 -15.402 -5.795 -12.123 1.00 15.00 A C +ATOM 2845 O LEU A 268 -15.621 -6.013 -13.314 1.00 15.00 A O +ATOM 2846 N ALA A 269 -16.240 -5.131 -11.336 1.00 15.00 A N +ATOM 2847 HN ALA A 269 -16.011 -5.014 -10.390 1.00 15.00 A H +ATOM 2848 CA ALA A 269 -17.483 -4.561 -11.831 1.00 15.00 A C +ATOM 2849 HA ALA A 269 -17.477 -4.619 -12.910 1.00 15.00 A H +ATOM 2850 CB ALA A 269 -18.684 -5.336 -11.309 1.00 15.00 A C +ATOM 2851 HB1 ALA A 269 -18.571 -6.383 -11.546 1.00 15.00 A H +ATOM 2852 HB2 ALA A 269 -19.585 -4.958 -11.770 1.00 15.00 A H +ATOM 2853 HB3 ALA A 269 -18.751 -5.214 -10.238 1.00 15.00 A H +ATOM 2854 C ALA A 269 -17.566 -3.103 -11.406 1.00 15.00 A C +ATOM 2855 O ALA A 269 -16.833 -2.680 -10.515 1.00 15.00 A O +ATOM 2856 N GLY A 270 -18.442 -2.334 -12.041 1.00 15.00 A N +ATOM 2857 HN GLY A 270 -19.000 -2.717 -12.750 1.00 15.00 A H +ATOM 2858 CA GLY A 270 -18.574 -0.933 -11.687 1.00 15.00 A C +ATOM 2859 HA1 GLY A 270 -17.981 -0.739 -10.804 1.00 15.00 A H +ATOM 2860 HA2 GLY A 270 -19.611 -0.730 -11.463 1.00 15.00 A H +ATOM 2861 C GLY A 270 -18.128 0.000 -12.796 1.00 15.00 A C +ATOM 2862 O GLY A 270 -18.292 -0.310 -13.980 1.00 15.00 A O +ATOM 2863 N SER A 271 -17.549 1.139 -12.410 1.00 15.00 A N +ATOM 2864 HN SER A 271 -17.423 1.312 -11.452 1.00 15.00 A H +ATOM 2865 CA SER A 271 -17.103 2.138 -13.380 1.00 15.00 A C +ATOM 2866 HA SER A 271 -17.379 1.779 -14.357 1.00 15.00 A H +ATOM 2867 CB SER A 271 -17.823 3.467 -13.136 1.00 15.00 A C +ATOM 2868 HB1 SER A 271 -18.820 3.416 -13.545 1.00 15.00 A H +ATOM 2869 HB2 SER A 271 -17.276 4.263 -13.621 1.00 15.00 A H +ATOM 2870 OG SER A 271 -17.907 3.750 -11.750 1.00 15.00 A O +ATOM 2871 HG SER A 271 -18.771 3.492 -11.420 1.00 15.00 A H +ATOM 2872 C SER A 271 -15.585 2.359 -13.360 1.00 15.00 A C +ATOM 2873 O SER A 271 -15.084 3.236 -14.066 1.00 15.00 A O +ATOM 2874 N ALA A 272 -14.852 1.589 -12.551 1.00 15.00 A N +ATOM 2875 HN ALA A 272 -15.294 0.920 -11.984 1.00 15.00 A H +ATOM 2876 CA ALA A 272 -13.396 1.736 -12.500 1.00 15.00 A C +ATOM 2877 HA ALA A 272 -13.176 2.791 -12.396 1.00 15.00 A H +ATOM 2878 CB ALA A 272 -12.791 1.011 -11.301 1.00 15.00 A C +ATOM 2879 HB1 ALA A 272 -13.091 -0.026 -11.313 1.00 15.00 A H +ATOM 2880 HB2 ALA A 272 -13.135 1.476 -10.388 1.00 15.00 A H +ATOM 2881 HB3 ALA A 272 -11.713 1.074 -11.351 1.00 15.00 A H +ATOM 2882 C ALA A 272 -12.777 1.240 -13.799 1.00 15.00 A C +ATOM 2883 O ALA A 272 -13.077 0.137 -14.262 1.00 15.00 A O +ATOM 2884 N GLN A 273 -11.917 2.068 -14.378 1.00 15.00 A N +ATOM 2885 HN GLN A 273 -11.704 2.917 -13.935 1.00 15.00 A H +ATOM 2886 CA GLN A 273 -11.271 1.751 -15.646 1.00 15.00 A C +ATOM 2887 HA GLN A 273 -11.944 1.126 -16.213 1.00 15.00 A H +ATOM 2888 CB GLN A 273 -11.030 3.043 -16.426 1.00 15.00 A C +ATOM 2889 HB1 GLN A 273 -10.554 2.802 -17.367 1.00 15.00 A H +ATOM 2890 HB2 GLN A 273 -10.375 3.680 -15.853 1.00 15.00 A H +ATOM 2891 CG GLN A 273 -12.309 3.814 -16.721 1.00 15.00 A C +ATOM 2892 HG1 GLN A 273 -12.065 4.855 -16.862 1.00 15.00 A H +ATOM 2893 HG2 GLN A 273 -12.972 3.715 -15.876 1.00 15.00 A H +ATOM 2894 CD GLN A 273 -13.026 3.312 -17.962 1.00 15.00 A C +ATOM 2895 OE1 GLN A 273 -12.725 3.740 -19.077 1.00 15.00 A O +ATOM 2896 NE2 GLN A 273 -13.992 2.418 -17.780 1.00 15.00 A N +ATOM 2897 HE21 GLN A 273 -14.196 2.129 -16.864 1.00 15.00 A H +ATOM 2898 HE22 GLN A 273 -14.463 2.081 -18.570 1.00 15.00 A H +ATOM 2899 C GLN A 273 -9.961 0.994 -15.438 1.00 15.00 A C +ATOM 2900 O GLN A 273 -9.663 0.047 -16.166 1.00 15.00 A O +ATOM 2901 N HIS A 274 -9.184 1.415 -14.442 1.00 15.00 A N +ATOM 2902 HN HIS A 274 -9.472 2.179 -13.902 1.00 15.00 A H +ATOM 2903 CA HIS A 274 -7.909 0.770 -14.145 1.00 15.00 A C +ATOM 2904 HA HIS A 274 -7.931 -0.219 -14.577 1.00 15.00 A H +ATOM 2905 CB HIS A 274 -6.761 1.562 -14.768 1.00 15.00 A C +ATOM 2906 HB1 HIS A 274 -6.508 2.387 -14.117 1.00 15.00 A H +ATOM 2907 HB2 HIS A 274 -7.074 1.950 -15.725 1.00 15.00 A H +ATOM 2908 CG HIS A 274 -5.529 0.739 -14.983 1.00 15.00 A C +ATOM 2909 ND1 HIS A 274 -5.448 -0.232 -15.954 1.00 15.00 A N +ATOM 2910 HD1 HIS A 274 -6.150 -0.457 -16.600 1.00 15.00 A H +ATOM 2911 CD2 HIS A 274 -4.346 0.710 -14.322 1.00 15.00 A C +ATOM 2912 HD2 HIS A 274 -4.048 1.360 -13.512 1.00 15.00 A H +ATOM 2913 CE1 HIS A 274 -4.272 -0.826 -15.878 1.00 15.00 A C +ATOM 2914 HE1 HIS A 274 -3.934 -1.645 -16.501 1.00 15.00 A H +ATOM 2915 NE2 HIS A 274 -3.583 -0.268 -14.903 1.00 15.00 A N +ATOM 2916 HE2 HIS A 274 -2.675 -0.522 -14.635 1.00 15.00 A H +ATOM 2917 C HIS A 274 -7.702 0.648 -12.636 1.00 15.00 A C +ATOM 2918 O HIS A 274 -7.830 1.627 -11.905 1.00 15.00 A O +ATOM 2919 N VAL A 275 -7.363 -0.556 -12.178 1.00 15.00 A N +ATOM 2920 HN VAL A 275 -7.252 -1.297 -12.813 1.00 15.00 A H +ATOM 2921 CA VAL A 275 -7.158 -0.802 -10.752 1.00 15.00 A C +ATOM 2922 HA VAL A 275 -7.196 0.146 -10.240 1.00 15.00 A H +ATOM 2923 CB VAL A 275 -8.296 -1.697 -10.196 1.00 15.00 A C +ATOM 2924 HB VAL A 275 -8.357 -2.585 -10.801 1.00 15.00 A H +ATOM 2925 CG1 VAL A 275 -8.019 -2.118 -8.768 1.00 15.00 A C +ATOM 2926 HG11 VAL A 275 -8.792 -2.796 -8.437 1.00 15.00 A H +ATOM 2927 HG12 VAL A 275 -8.010 -1.245 -8.130 1.00 15.00 A H +ATOM 2928 HG13 VAL A 275 -7.060 -2.611 -8.715 1.00 15.00 A H +ATOM 2929 CG2 VAL A 275 -9.633 -0.976 -10.278 1.00 15.00 A C +ATOM 2930 HG21 VAL A 275 -9.598 -0.079 -9.676 1.00 15.00 A H +ATOM 2931 HG22 VAL A 275 -10.416 -1.625 -9.911 1.00 15.00 A H +ATOM 2932 HG23 VAL A 275 -9.838 -0.713 -11.305 1.00 15.00 A H +ATOM 2933 C VAL A 275 -5.800 -1.461 -10.484 1.00 15.00 A C +ATOM 2934 O VAL A 275 -5.480 -2.486 -11.077 1.00 15.00 A O +ATOM 2935 N GLU A 276 -5.002 -0.847 -9.597 1.00 15.00 A N +ATOM 2936 HN GLU A 276 -5.312 -0.015 -9.185 1.00 15.00 A H +ATOM 2937 CA GLU A 276 -3.675 -1.372 -9.225 1.00 15.00 A C +ATOM 2938 HA GLU A 276 -3.682 -2.442 -9.343 1.00 15.00 A H +ATOM 2939 CB GLU A 276 -2.569 -0.772 -10.089 1.00 15.00 A C +ATOM 2940 HB1 GLU A 276 -1.616 -1.050 -9.658 1.00 15.00 A H +ATOM 2941 HB2 GLU A 276 -2.659 0.302 -10.065 1.00 15.00 A H +ATOM 2942 CG GLU A 276 -2.571 -1.209 -11.538 1.00 15.00 A C +ATOM 2943 HG1 GLU A 276 -3.395 -0.730 -12.045 1.00 15.00 A H +ATOM 2944 HG2 GLU A 276 -2.689 -2.281 -11.582 1.00 15.00 A H +ATOM 2945 CD GLU A 276 -1.283 -0.826 -12.239 1.00 15.00 A C +ATOM 2946 OE1 GLU A 276 -0.668 0.187 -11.843 1.00 15.00 A O +ATOM 2947 OE2 GLU A 276 -0.886 -1.539 -13.184 1.00 15.00 A O +ATOM 2948 C GLU A 276 -3.340 -1.022 -7.783 1.00 15.00 A C +ATOM 2949 O GLU A 276 -3.736 0.039 -7.312 1.00 15.00 A O +ATOM 2950 N GLU A 277 -2.559 -1.893 -7.121 1.00 15.00 A N +ATOM 2951 HN GLU A 277 -2.259 -2.700 -7.585 1.00 15.00 A H +ATOM 2952 CA GLU A 277 -2.132 -1.682 -5.729 1.00 15.00 A C +ATOM 2953 HA GLU A 277 -1.899 -2.647 -5.310 1.00 15.00 A H +ATOM 2954 CB GLU A 277 -0.866 -0.812 -5.688 1.00 15.00 A C +ATOM 2955 HB1 GLU A 277 -0.613 -0.610 -4.655 1.00 15.00 A H +ATOM 2956 HB2 GLU A 277 -1.068 0.121 -6.189 1.00 15.00 A H +ATOM 2957 CG GLU A 277 0.349 -1.448 -6.354 1.00 15.00 A C +ATOM 2958 HG1 GLU A 277 0.021 -2.033 -7.200 1.00 15.00 A H +ATOM 2959 HG2 GLU A 277 0.842 -2.094 -5.640 1.00 15.00 A H +ATOM 2960 CD GLU A 277 1.352 -0.418 -6.839 1.00 15.00 A C +ATOM 2961 OE1 GLU A 277 1.110 0.790 -6.633 1.00 15.00 A O +ATOM 2962 OE2 GLU A 277 2.378 -0.818 -7.427 1.00 15.00 A O +ATOM 2963 C GLU A 277 -3.246 -1.050 -4.897 1.00 15.00 A C +ATOM 2964 O GLU A 277 -3.204 0.139 -4.563 1.00 15.00 A O +ATOM 2965 N CYS A 278 -4.250 -1.857 -4.585 1.00 15.00 A N +ATOM 2966 HN CYS A 278 -4.212 -2.796 -4.865 1.00 15.00 A H +ATOM 2967 CA CYS A 278 -5.397 -1.397 -3.821 1.00 15.00 A C +ATOM 2968 HA CYS A 278 -5.653 -0.407 -4.160 1.00 15.00 A H +ATOM 2969 HB1 CYS A 278 -7.337 -2.149 -3.309 1.00 15.00 A H +ATOM 2970 HB2 CYS A 278 -6.247 -3.352 -3.981 1.00 15.00 A H +ATOM 2971 C CYS A 278 -5.097 -1.357 -2.328 1.00 15.00 A C +ATOM 2972 O CYS A 278 -4.433 -2.243 -1.798 1.00 15.00 A O +ATOM 2973 CB CYS A 278 -6.588 -2.331 -4.061 1.00 15.00 A C +ATOM 2974 SG CYS A 278 -7.378 -2.158 -5.688 1.00 15.00 A S +ATOM 2975 N SER A 279 -5.569 -0.316 -1.653 1.00 15.00 A N +ATOM 2976 HN SER A 279 -6.048 0.395 -2.134 1.00 15.00 A H +ATOM 2977 CA SER A 279 -5.387 -0.205 -0.208 1.00 15.00 A C +ATOM 2978 HA SER A 279 -4.686 -0.969 0.091 1.00 15.00 A H +ATOM 2979 CB SER A 279 -4.840 1.164 0.192 1.00 15.00 A C +ATOM 2980 HB1 SER A 279 -4.879 1.262 1.266 1.00 15.00 A H +ATOM 2981 HB2 SER A 279 -5.442 1.935 -0.266 1.00 15.00 A H +ATOM 2982 OG SER A 279 -3.500 1.321 -0.233 1.00 15.00 A O +ATOM 2983 HG SER A 279 -2.975 0.584 0.087 1.00 15.00 A H +ATOM 2984 C SER A 279 -6.718 -0.475 0.481 1.00 15.00 A C +ATOM 2985 O SER A 279 -7.525 0.432 0.684 1.00 15.00 A O +ATOM 2986 N CYS A 280 -6.934 -1.742 0.827 1.00 15.00 A N +ATOM 2987 HN CYS A 280 -6.229 -2.405 0.658 1.00 15.00 A H +ATOM 2988 CA CYS A 280 -8.181 -2.183 1.439 1.00 15.00 A C +ATOM 2989 HA CYS A 280 -8.973 -1.559 1.055 1.00 15.00 A H +ATOM 2990 HB1 CYS A 280 -9.443 -3.915 1.394 1.00 15.00 A H +ATOM 2991 HB2 CYS A 280 -7.722 -4.275 1.471 1.00 15.00 A H +ATOM 2992 C CYS A 280 -8.180 -2.084 2.958 1.00 15.00 A C +ATOM 2993 O CYS A 280 -7.133 -2.120 3.607 1.00 15.00 A O +ATOM 2994 CB CYS A 280 -8.467 -3.630 1.029 1.00 15.00 A C +ATOM 2995 SG CYS A 280 -8.445 -3.915 -0.769 1.00 15.00 A S +ATOM 2996 N TYR A 281 -9.386 -1.952 3.500 1.00 15.00 A N +ATOM 2997 HN TYR A 281 -10.159 -1.880 2.906 1.00 15.00 A H +ATOM 2998 CA TYR A 281 -9.610 -1.887 4.936 1.00 15.00 A C +ATOM 2999 HA TYR A 281 -8.866 -2.512 5.411 1.00 15.00 A H +ATOM 3000 CB TYR A 281 -9.486 -0.453 5.486 1.00 15.00 A C +ATOM 3001 HB1 TYR A 281 -8.472 -0.114 5.348 1.00 15.00 A H +ATOM 3002 HB2 TYR A 281 -9.706 -0.476 6.546 1.00 15.00 A H +ATOM 3003 CG TYR A 281 -10.418 0.559 4.837 1.00 15.00 A C +ATOM 3004 CD1 TYR A 281 -11.720 0.740 5.299 1.00 15.00 A C +ATOM 3005 HD1 TYR A 281 -12.074 0.143 6.139 1.00 15.00 A H +ATOM 3006 CD2 TYR A 281 -9.991 1.335 3.766 1.00 15.00 A C +ATOM 3007 HD2 TYR A 281 -8.983 1.208 3.405 1.00 15.00 A H +ATOM 3008 CE1 TYR A 281 -12.563 1.668 4.713 1.00 15.00 A C +ATOM 3009 HE1 TYR A 281 -13.563 1.800 5.087 1.00 15.00 A H +ATOM 3010 CE2 TYR A 281 -10.826 2.259 3.175 1.00 15.00 A C +ATOM 3011 HE2 TYR A 281 -10.473 2.837 2.345 1.00 15.00 A H +ATOM 3012 CZ TYR A 281 -12.116 2.421 3.649 1.00 15.00 A C +ATOM 3013 OH TYR A 281 -12.943 3.358 3.069 1.00 15.00 A O +ATOM 3014 HH TYR A 281 -12.637 3.531 2.168 1.00 15.00 A H +ATOM 3015 C TYR A 281 -10.993 -2.446 5.252 1.00 15.00 A C +ATOM 3016 O TYR A 281 -11.931 -2.286 4.465 1.00 15.00 A O +ATOM 3017 N PRO A 282 -11.129 -3.125 6.399 1.00 15.00 A N +ATOM 3018 CA PRO A 282 -12.399 -3.721 6.833 1.00 15.00 A C +ATOM 3019 HA PRO A 282 -12.767 -4.431 6.103 1.00 15.00 A H +ATOM 3020 CB PRO A 282 -12.015 -4.461 8.118 1.00 15.00 A C +ATOM 3021 HB1 PRO A 282 -11.824 -5.502 7.902 1.00 15.00 A H +ATOM 3022 HB2 PRO A 282 -12.807 -4.366 8.851 1.00 15.00 A H +ATOM 3023 CG PRO A 282 -10.767 -3.806 8.589 1.00 15.00 A C +ATOM 3024 HG1 PRO A 282 -10.167 -4.509 9.147 1.00 15.00 A H +ATOM 3025 HG2 PRO A 282 -11.014 -2.946 9.199 1.00 15.00 A H +ATOM 3026 CD PRO A 282 -10.039 -3.383 7.354 1.00 15.00 A C +ATOM 3027 HD1 PRO A 282 -9.394 -4.171 7.001 1.00 15.00 A H +ATOM 3028 HD2 PRO A 282 -9.470 -2.483 7.539 1.00 15.00 A H +ATOM 3029 C PRO A 282 -13.484 -2.681 7.116 1.00 15.00 A C +ATOM 3030 O PRO A 282 -13.295 -1.762 7.909 1.00 15.00 A O +ATOM 3031 N ARG A 283 -14.615 -2.836 6.441 1.00 15.00 A N +ATOM 3032 HN ARG A 283 -14.685 -3.576 5.802 1.00 15.00 A H +ATOM 3033 CA ARG A 283 -15.755 -1.942 6.608 1.00 15.00 A C +ATOM 3034 HA ARG A 283 -15.615 -1.386 7.525 1.00 15.00 A H +ATOM 3035 CB ARG A 283 -15.836 -0.969 5.423 1.00 15.00 A C +ATOM 3036 HB1 ARG A 283 -16.570 -1.333 4.721 1.00 15.00 A H +ATOM 3037 HB2 ARG A 283 -14.872 -0.937 4.942 1.00 15.00 A H +ATOM 3038 CG ARG A 283 -16.213 0.452 5.817 1.00 15.00 A C +ATOM 3039 HG1 ARG A 283 -15.355 0.933 6.261 1.00 15.00 A H +ATOM 3040 HG2 ARG A 283 -17.014 0.413 6.532 1.00 15.00 A H +ATOM 3041 CD ARG A 283 -16.663 1.269 4.614 1.00 15.00 A C +ATOM 3042 HD1 ARG A 283 -16.055 0.991 3.762 1.00 15.00 A H +ATOM 3043 HD2 ARG A 283 -16.516 2.322 4.835 1.00 15.00 A H +ATOM 3044 NE ARG A 283 -18.071 1.049 4.281 1.00 15.00 A N +ATOM 3045 HE ARG A 283 -18.295 0.238 3.780 1.00 15.00 A H +ATOM 3046 CZ ARG A 283 -19.061 1.882 4.620 1.00 15.00 A C +ATOM 3047 NH1 ARG A 283 -18.798 2.989 5.309 1.00 15.00 A N +ATOM 3048 HH11 ARG A 283 -17.828 3.214 5.580 1.00 15.00 A H +ATOM 3049 HH12 ARG A 283 -19.568 3.632 5.576 1.00 15.00 A H +ATOM 3050 NH2 ARG A 283 -20.305 1.622 4.244 1.00 15.00 A N +ATOM 3051 HH21 ARG A 283 -20.513 0.777 3.670 1.00 15.00 A H +ATOM 3052 HH22 ARG A 283 -21.078 2.264 4.517 1.00 15.00 A H +ATOM 3053 C ARG A 283 -17.034 -2.776 6.713 1.00 15.00 A C +ATOM 3054 O ARG A 283 -17.915 -2.678 5.855 1.00 15.00 A O +ATOM 3055 N TYR A 284 -17.088 -3.595 7.779 1.00 15.00 A N +ATOM 3056 HN TYR A 284 -16.339 -3.568 8.409 1.00 15.00 A H +ATOM 3057 CA TYR A 284 -18.194 -4.527 8.071 1.00 15.00 A C +ATOM 3058 HA TYR A 284 -17.945 -5.458 7.590 1.00 15.00 A H +ATOM 3059 CB TYR A 284 -18.280 -4.781 9.573 1.00 15.00 A C +ATOM 3060 HB1 TYR A 284 -18.760 -3.939 10.049 1.00 15.00 A H +ATOM 3061 HB2 TYR A 284 -17.282 -4.890 9.971 1.00 15.00 A H +ATOM 3062 CG TYR A 284 -19.061 -6.030 9.931 1.00 15.00 A C +ATOM 3063 CD1 TYR A 284 -18.502 -7.293 9.758 1.00 15.00 A C +ATOM 3064 HD1 TYR A 284 -17.502 -7.373 9.356 1.00 15.00 A H +ATOM 3065 CD2 TYR A 284 -20.355 -5.949 10.435 1.00 15.00 A C +ATOM 3066 HD2 TYR A 284 -20.800 -4.977 10.591 1.00 15.00 A H +ATOM 3067 CE1 TYR A 284 -19.211 -8.438 10.073 1.00 15.00 A C +ATOM 3068 HE1 TYR A 284 -18.757 -9.410 9.935 1.00 15.00 A H +ATOM 3069 CE2 TYR A 284 -21.069 -7.089 10.749 1.00 15.00 A C +ATOM 3070 HE2 TYR A 284 -22.082 -7.010 11.121 1.00 15.00 A H +ATOM 3071 CZ TYR A 284 -20.495 -8.331 10.561 1.00 15.00 A C +ATOM 3072 OH TYR A 284 -21.203 -9.468 10.871 1.00 15.00 A O +ATOM 3073 HH TYR A 284 -20.605 -10.130 11.232 1.00 15.00 A H +ATOM 3074 C TYR A 284 -19.559 -4.074 7.548 1.00 15.00 A C +ATOM 3075 O TYR A 284 -19.984 -2.937 7.764 1.00 15.00 A O +ATOM 3076 N PRO A 285 -20.280 -4.996 6.879 1.00 15.00 A N +ATOM 3077 CA PRO A 285 -19.808 -6.367 6.624 1.00 15.00 A C +ATOM 3078 HA PRO A 285 -19.260 -6.770 7.468 1.00 15.00 A H +ATOM 3079 CB PRO A 285 -21.126 -7.119 6.475 1.00 15.00 A C +ATOM 3080 HB1 PRO A 285 -21.522 -7.388 7.440 1.00 15.00 A H +ATOM 3081 HB2 PRO A 285 -20.979 -8.000 5.860 1.00 15.00 A H +ATOM 3082 CG PRO A 285 -22.027 -6.141 5.802 1.00 15.00 A C +ATOM 3083 HG1 PRO A 285 -23.054 -6.348 6.057 1.00 15.00 A H +ATOM 3084 HG2 PRO A 285 -21.887 -6.193 4.728 1.00 15.00 A H +ATOM 3085 CD PRO A 285 -21.628 -4.779 6.316 1.00 15.00 A C +ATOM 3086 HD1 PRO A 285 -22.315 -4.455 7.086 1.00 15.00 A H +ATOM 3087 HD2 PRO A 285 -21.601 -4.064 5.510 1.00 15.00 A H +ATOM 3088 C PRO A 285 -18.992 -6.506 5.341 1.00 15.00 A C +ATOM 3089 O PRO A 285 -18.816 -7.612 4.828 1.00 15.00 A O +ATOM 3090 N GLY A 286 -18.483 -5.386 4.824 1.00 15.00 A N +ATOM 3091 HN GLY A 286 -18.614 -4.535 5.295 1.00 15.00 A H +ATOM 3092 CA GLY A 286 -17.738 -5.421 3.574 1.00 15.00 A C +ATOM 3093 HA1 GLY A 286 -18.234 -4.769 2.872 1.00 15.00 A H +ATOM 3094 HA2 GLY A 286 -17.768 -6.426 3.187 1.00 15.00 A H +ATOM 3095 C GLY A 286 -16.284 -4.994 3.676 1.00 15.00 A C +ATOM 3096 O GLY A 286 -15.740 -4.826 4.767 1.00 15.00 A O +ATOM 3097 N VAL A 287 -15.664 -4.839 2.505 1.00 15.00 A N +ATOM 3098 HN VAL A 287 -16.169 -5.012 1.685 1.00 15.00 A H +ATOM 3099 CA VAL A 287 -14.268 -4.418 2.389 1.00 15.00 A C +ATOM 3100 HA VAL A 287 -13.960 -4.017 3.345 1.00 15.00 A H +ATOM 3101 CB VAL A 287 -13.338 -5.597 2.018 1.00 15.00 A C +ATOM 3102 HB VAL A 287 -13.638 -5.974 1.048 1.00 15.00 A H +ATOM 3103 CG1 VAL A 287 -11.893 -5.128 1.917 1.00 15.00 A C +ATOM 3104 HG11 VAL A 287 -11.276 -5.937 1.555 1.00 15.00 A H +ATOM 3105 HG12 VAL A 287 -11.548 -4.818 2.892 1.00 15.00 A H +ATOM 3106 HG13 VAL A 287 -11.834 -4.294 1.233 1.00 15.00 A H +ATOM 3107 CG2 VAL A 287 -13.465 -6.729 3.028 1.00 15.00 A C +ATOM 3108 HG21 VAL A 287 -14.493 -7.059 3.075 1.00 15.00 A H +ATOM 3109 HG22 VAL A 287 -13.155 -6.379 4.002 1.00 15.00 A H +ATOM 3110 HG23 VAL A 287 -12.836 -7.554 2.727 1.00 15.00 A H +ATOM 3111 C VAL A 287 -14.133 -3.326 1.326 1.00 15.00 A C +ATOM 3112 O VAL A 287 -14.504 -3.524 0.169 1.00 15.00 A O +ATOM 3113 N ARG A 288 -13.603 -2.177 1.730 1.00 15.00 A N +ATOM 3114 HN ARG A 288 -13.324 -2.082 2.666 1.00 15.00 A H +ATOM 3115 CA ARG A 288 -13.439 -1.051 0.818 1.00 15.00 A C +ATOM 3116 HA ARG A 288 -13.980 -1.278 -0.089 1.00 15.00 A H +ATOM 3117 CB ARG A 288 -14.033 0.205 1.439 1.00 15.00 A C +ATOM 3118 HB1 ARG A 288 -13.567 0.374 2.398 1.00 15.00 A H +ATOM 3119 HB2 ARG A 288 -15.093 0.053 1.581 1.00 15.00 A H +ATOM 3120 CG ARG A 288 -13.836 1.438 0.586 1.00 15.00 A C +ATOM 3121 HG1 ARG A 288 -13.214 1.177 -0.261 1.00 15.00 A H +ATOM 3122 HG2 ARG A 288 -13.351 2.199 1.178 1.00 15.00 A H +ATOM 3123 CD ARG A 288 -15.157 1.972 0.091 1.00 15.00 A C +ATOM 3124 HD1 ARG A 288 -15.772 1.137 -0.221 1.00 15.00 A H +ATOM 3125 HD2 ARG A 288 -14.979 2.625 -0.752 1.00 15.00 A H +ATOM 3126 NE ARG A 288 -15.862 2.720 1.123 1.00 15.00 A N +ATOM 3127 HE ARG A 288 -15.324 3.261 1.742 1.00 15.00 A H +ATOM 3128 CZ ARG A 288 -17.181 2.706 1.274 1.00 15.00 A C +ATOM 3129 NH1 ARG A 288 -17.939 1.975 0.465 1.00 15.00 A N +ATOM 3130 HH11 ARG A 288 -17.499 1.407 -0.288 1.00 15.00 A H +ATOM 3131 HH12 ARG A 288 -18.970 1.967 0.580 1.00 15.00 A H +ATOM 3132 NH2 ARG A 288 -17.741 3.443 2.219 1.00 15.00 A N +ATOM 3133 HH21 ARG A 288 -17.146 4.024 2.847 1.00 15.00 A H +ATOM 3134 HH22 ARG A 288 -18.774 3.438 2.343 1.00 15.00 A H +ATOM 3135 C ARG A 288 -11.978 -0.809 0.467 1.00 15.00 A C +ATOM 3136 O ARG A 288 -11.120 -0.771 1.346 1.00 15.00 A O +ATOM 3137 N CYS A 289 -11.711 -0.620 -0.822 1.00 15.00 A N +ATOM 3138 HN CYS A 289 -12.443 -0.646 -1.472 1.00 15.00 A H +ATOM 3139 CA CYS A 289 -10.349 -0.402 -1.288 1.00 15.00 A C +ATOM 3140 HA CYS A 289 -9.713 -0.308 -0.425 1.00 15.00 A H +ATOM 3141 HB1 CYS A 289 -8.811 -1.538 -2.238 1.00 15.00 A H +ATOM 3142 HB2 CYS A 289 -10.354 -1.566 -3.082 1.00 15.00 A H +ATOM 3143 C CYS A 289 -10.199 0.850 -2.152 1.00 15.00 A C +ATOM 3144 O CYS A 289 -10.981 1.092 -3.069 1.00 15.00 A O +ATOM 3145 CB CYS A 289 -9.880 -1.603 -2.110 1.00 15.00 A C +ATOM 3146 SG CYS A 289 -10.255 -3.226 -1.375 1.00 15.00 A S +ATOM 3147 N ILE A 290 -9.172 1.637 -1.842 1.00 15.00 A N +ATOM 3148 HN ILE A 290 -8.627 1.415 -1.058 1.00 15.00 A H +ATOM 3149 CA ILE A 290 -8.832 2.823 -2.623 1.00 15.00 A C +ATOM 3150 HA ILE A 290 -9.633 3.004 -3.326 1.00 15.00 A H +ATOM 3151 CB ILE A 290 -8.629 4.082 -1.738 1.00 15.00 A C +ATOM 3152 HB ILE A 290 -8.208 3.766 -0.796 1.00 15.00 A H +ATOM 3153 CG1 ILE A 290 -9.974 4.775 -1.477 1.00 15.00 A C +ATOM 3154 HG11 ILE A 290 -10.432 5.029 -2.423 1.00 15.00 A H +ATOM 3155 HG12 ILE A 290 -9.799 5.678 -0.915 1.00 15.00 A H +ATOM 3156 CG2 ILE A 290 -7.653 5.059 -2.386 1.00 15.00 A C +ATOM 3157 HG21 ILE A 290 -7.378 5.823 -1.673 1.00 15.00 A H +ATOM 3158 HG22 ILE A 290 -8.118 5.520 -3.245 1.00 15.00 A H +ATOM 3159 HG23 ILE A 290 -6.766 4.526 -2.701 1.00 15.00 A H +ATOM 3160 CD1 ILE A 290 -10.961 3.937 -0.696 1.00 15.00 A C +ATOM 3161 HD11 ILE A 290 -10.496 3.594 0.218 1.00 15.00 A H +ATOM 3162 HD12 ILE A 290 -11.256 3.085 -1.291 1.00 15.00 A H +ATOM 3163 HD13 ILE A 290 -11.829 4.529 -0.458 1.00 15.00 A H +ATOM 3164 C ILE A 290 -7.564 2.476 -3.393 1.00 15.00 A C +ATOM 3165 O ILE A 290 -6.494 2.314 -2.804 1.00 15.00 A O +ATOM 3166 N CYS A 291 -7.684 2.332 -4.708 1.00 15.00 A N +ATOM 3167 HN CYS A 291 -8.550 2.508 -5.141 1.00 15.00 A H +ATOM 3168 CA CYS A 291 -6.542 1.897 -5.511 1.00 15.00 A C +ATOM 3169 HA CYS A 291 -5.812 1.511 -4.820 1.00 15.00 A H +ATOM 3170 HB1 CYS A 291 -6.122 0.126 -6.627 1.00 15.00 A H +ATOM 3171 HB2 CYS A 291 -7.386 1.133 -7.331 1.00 15.00 A H +ATOM 3172 C CYS A 291 -5.860 2.984 -6.335 1.00 15.00 A C +ATOM 3173 O CYS A 291 -6.020 4.180 -6.096 1.00 15.00 A O +ATOM 3174 CB CYS A 291 -6.981 0.744 -6.408 1.00 15.00 A C +ATOM 3175 SG CYS A 291 -8.241 -0.325 -5.644 1.00 15.00 A S +ATOM 3176 N ARG A 292 -5.070 2.509 -7.303 1.00 15.00 A N +ATOM 3177 HN ARG A 292 -5.021 1.537 -7.426 1.00 15.00 A H +ATOM 3178 CA ARG A 292 -4.266 3.352 -8.180 1.00 15.00 A C +ATOM 3179 HA ARG A 292 -4.375 4.375 -7.866 1.00 15.00 A H +ATOM 3180 CB ARG A 292 -2.801 2.933 -8.000 1.00 15.00 A C +ATOM 3181 HB1 ARG A 292 -2.756 1.853 -8.009 1.00 15.00 A H +ATOM 3182 HB2 ARG A 292 -2.456 3.282 -7.039 1.00 15.00 A H +ATOM 3183 CG ARG A 292 -1.839 3.449 -9.061 1.00 15.00 A C +ATOM 3184 HG1 ARG A 292 -1.661 4.502 -8.897 1.00 15.00 A H +ATOM 3185 HG2 ARG A 292 -2.279 3.299 -10.037 1.00 15.00 A H +ATOM 3186 CD ARG A 292 -0.513 2.701 -8.996 1.00 15.00 A C +ATOM 3187 HD1 ARG A 292 -0.705 1.646 -9.133 1.00 15.00 A H +ATOM 3188 HD2 ARG A 292 -0.077 2.856 -8.028 1.00 15.00 A H +ATOM 3189 NE ARG A 292 0.438 3.148 -10.014 1.00 15.00 A N +ATOM 3190 HE ARG A 292 0.075 3.541 -10.835 1.00 15.00 A H +ATOM 3191 CZ ARG A 292 1.760 3.035 -9.888 1.00 15.00 A C +ATOM 3192 NH1 ARG A 292 2.280 2.508 -8.787 1.00 15.00 A N +ATOM 3193 HH11 ARG A 292 3.311 2.415 -8.691 1.00 15.00 A H +ATOM 3194 HH12 ARG A 292 1.656 2.182 -8.023 1.00 15.00 A H +ATOM 3195 NH2 ARG A 292 2.563 3.454 -10.857 1.00 15.00 A N +ATOM 3196 HH21 ARG A 292 2.159 3.866 -11.726 1.00 15.00 A H +ATOM 3197 HH22 ARG A 292 3.595 3.369 -10.755 1.00 15.00 A H +ATOM 3198 C ARG A 292 -4.654 3.222 -9.656 1.00 15.00 A C +ATOM 3199 O ARG A 292 -4.577 2.138 -10.236 1.00 15.00 A O +ATOM 3200 N ASP A 293 -5.066 4.337 -10.258 1.00 15.00 A N +ATOM 3201 HN ASP A 293 -5.157 5.161 -9.733 1.00 15.00 A H +ATOM 3202 CA ASP A 293 -5.401 4.353 -11.678 1.00 15.00 A C +ATOM 3203 HA ASP A 293 -5.664 3.343 -11.967 1.00 15.00 A H +ATOM 3204 CB ASP A 293 -6.587 5.281 -11.958 1.00 15.00 A C +ATOM 3205 HB1 ASP A 293 -6.277 6.309 -11.833 1.00 15.00 A H +ATOM 3206 HB2 ASP A 293 -7.379 5.063 -11.256 1.00 15.00 A H +ATOM 3207 CG ASP A 293 -7.137 5.110 -13.364 1.00 15.00 A C +ATOM 3208 OD1 ASP A 293 -6.341 5.126 -14.325 1.00 15.00 A O +ATOM 3209 OD2 ASP A 293 -8.365 4.953 -13.503 1.00 15.00 A O +ATOM 3210 C ASP A 293 -4.166 4.786 -12.473 1.00 15.00 A C +ATOM 3211 O ASP A 293 -3.835 5.969 -12.537 1.00 15.00 A O +ATOM 3212 N ASN A 294 -3.495 3.808 -13.071 1.00 15.00 A N +ATOM 3213 HN ASN A 294 -3.837 2.894 -12.997 1.00 15.00 A H +ATOM 3214 CA ASN A 294 -2.269 4.037 -13.839 1.00 15.00 A C +ATOM 3215 HA ASN A 294 -1.764 4.898 -13.429 1.00 15.00 A H +ATOM 3216 CB ASN A 294 -1.366 2.798 -13.678 1.00 15.00 A C +ATOM 3217 HB1 ASN A 294 -1.666 2.054 -14.402 1.00 15.00 A H +ATOM 3218 HB2 ASN A 294 -1.493 2.394 -12.687 1.00 15.00 A H +ATOM 3219 CG ASN A 294 0.109 3.082 -13.884 1.00 15.00 A C +ATOM 3220 OD1 ASN A 294 0.773 3.651 -13.024 1.00 15.00 A O +ATOM 3221 ND2 ASN A 294 0.628 2.658 -15.027 1.00 15.00 A N +ATOM 3222 HD21 ASN A 294 0.035 2.198 -15.656 1.00 15.00 A H +ATOM 3223 HD22 ASN A 294 1.581 2.812 -15.190 1.00 15.00 A H +ATOM 3224 C ASN A 294 -2.554 4.282 -15.330 1.00 15.00 A C +ATOM 3225 O ASN A 294 -1.631 4.315 -16.142 1.00 15.00 A O +ATOM 3226 N TRP A 295 -3.829 4.463 -15.691 1.00 15.00 A N +ATOM 3227 HN TRP A 295 -4.531 4.453 -15.007 1.00 15.00 A H +ATOM 3228 CA TRP A 295 -4.194 4.653 -17.098 1.00 15.00 A C +ATOM 3229 HA TRP A 295 -3.295 4.529 -17.679 1.00 15.00 A H +ATOM 3230 CB TRP A 295 -5.181 3.554 -17.513 1.00 15.00 A C +ATOM 3231 HB1 TRP A 295 -6.081 3.655 -16.921 1.00 15.00 A H +ATOM 3232 HB2 TRP A 295 -4.732 2.594 -17.313 1.00 15.00 A H +ATOM 3233 CG TRP A 295 -5.563 3.577 -18.967 1.00 15.00 A C +ATOM 3234 CD1 TRP A 295 -4.863 4.143 -20.001 1.00 15.00 A C +ATOM 3235 HD1 TRP A 295 -3.922 4.655 -19.881 1.00 15.00 A H +ATOM 3236 CD2 TRP A 295 -6.739 3.008 -19.545 1.00 15.00 A C +ATOM 3237 NE1 TRP A 295 -5.539 3.966 -21.181 1.00 15.00 A N +ATOM 3238 HE1 TRP A 295 -5.244 4.280 -22.059 1.00 15.00 A H +ATOM 3239 CE2 TRP A 295 -6.697 3.275 -20.929 1.00 15.00 A C +ATOM 3240 CE3 TRP A 295 -7.835 2.310 -19.026 1.00 15.00 A C +ATOM 3241 HE3 TRP A 295 -7.906 2.095 -17.972 1.00 15.00 A H +ATOM 3242 CZ2 TRP A 295 -7.710 2.855 -21.799 1.00 15.00 A C +ATOM 3243 HZ2 TRP A 295 -7.674 3.055 -22.860 1.00 15.00 A H +ATOM 3244 CZ3 TRP A 295 -8.834 1.895 -19.885 1.00 15.00 A C +ATOM 3245 HZ3 TRP A 295 -9.684 1.350 -19.499 1.00 15.00 A H +ATOM 3246 CH2 TRP A 295 -8.769 2.171 -21.258 1.00 15.00 A C +ATOM 3247 HH2 TRP A 295 -9.577 1.831 -21.892 1.00 15.00 A H +ATOM 3248 C TRP A 295 -4.774 6.050 -17.422 1.00 15.00 A C +ATOM 3249 O TRP A 295 -4.161 6.808 -18.179 1.00 15.00 A O +ATOM 3250 N LYS A 296 -5.951 6.390 -16.878 1.00 15.00 A N +ATOM 3251 HN LYS A 296 -6.389 5.775 -16.255 1.00 15.00 A H +ATOM 3252 CA LYS A 296 -6.600 7.680 -17.193 1.00 15.00 A C +ATOM 3253 HA LYS A 296 -5.949 8.251 -17.835 1.00 15.00 A H +ATOM 3254 CB LYS A 296 -7.941 7.454 -17.909 1.00 15.00 A C +ATOM 3255 HB1 LYS A 296 -8.393 8.422 -18.083 1.00 15.00 A H +ATOM 3256 HB2 LYS A 296 -8.583 6.898 -17.249 1.00 15.00 A H +ATOM 3257 CG LYS A 296 -7.899 6.718 -19.236 1.00 15.00 A C +ATOM 3258 HG1 LYS A 296 -7.037 6.072 -19.256 1.00 15.00 A H +ATOM 3259 HG2 LYS A 296 -7.838 7.443 -20.038 1.00 15.00 A H +ATOM 3260 CD LYS A 296 -9.163 5.885 -19.423 1.00 15.00 A C +ATOM 3261 HD1 LYS A 296 -9.962 6.322 -18.842 1.00 15.00 A H +ATOM 3262 HD2 LYS A 296 -8.973 4.881 -19.072 1.00 15.00 A H +ATOM 3263 CE LYS A 296 -9.589 5.825 -20.881 1.00 15.00 A C +ATOM 3264 HE1 LYS A 296 -8.874 5.224 -21.424 1.00 15.00 A H +ATOM 3265 HE2 LYS A 296 -9.590 6.827 -21.280 1.00 15.00 A H +ATOM 3266 NZ LYS A 296 -10.949 5.234 -21.058 1.00 15.00 A N +ATOM 3267 HZ1 LYS A 296 -10.992 4.293 -20.621 1.00 15.00 A H +ATOM 3268 HZ2 LYS A 296 -11.172 5.145 -22.070 1.00 15.00 A H +ATOM 3269 HZ3 LYS A 296 -11.665 5.845 -20.612 1.00 15.00 A H +ATOM 3270 C LYS A 296 -6.981 8.508 -15.967 1.00 15.00 A C +ATOM 3271 O LYS A 296 -7.702 9.492 -16.123 1.00 15.00 A O +ATOM 3272 N GLY A 297 -6.530 8.182 -14.768 1.00 15.00 A N +ATOM 3273 HN GLY A 297 -5.884 7.450 -14.642 1.00 15.00 A H +ATOM 3274 CA GLY A 297 -7.033 8.966 -13.654 1.00 15.00 A C +ATOM 3275 HA1 GLY A 297 -7.728 8.339 -13.112 1.00 15.00 A H +ATOM 3276 HA2 GLY A 297 -7.589 9.793 -14.059 1.00 15.00 A H +ATOM 3277 C GLY A 297 -6.041 9.525 -12.655 1.00 15.00 A C +ATOM 3278 O GLY A 297 -5.032 8.907 -12.332 1.00 15.00 A O +ATOM 3279 N SER A 298 -6.361 10.730 -12.169 1.00 15.00 A N +ATOM 3280 HN SER A 298 -7.140 11.199 -12.540 1.00 15.00 A H +ATOM 3281 CA SER A 298 -5.593 11.383 -11.116 1.00 15.00 A C +ATOM 3282 HA SER A 298 -4.608 10.936 -11.087 1.00 15.00 A H +ATOM 3283 CB SER A 298 -5.477 12.898 -11.348 1.00 15.00 A C +ATOM 3284 HB1 SER A 298 -5.838 13.421 -10.473 1.00 15.00 A H +ATOM 3285 HB2 SER A 298 -6.076 13.182 -12.201 1.00 15.00 A H +ATOM 3286 OG SER A 298 -4.134 13.283 -11.586 1.00 15.00 A O +ATOM 3287 HG SER A 298 -4.046 13.596 -12.494 1.00 15.00 A H +ATOM 3288 C SER A 298 -6.326 11.090 -9.813 1.00 15.00 A C +ATOM 3289 O SER A 298 -5.761 11.118 -8.725 1.00 15.00 A O +ATOM 3290 N ASN A 299 -7.617 10.815 -9.964 1.00 15.00 A N +ATOM 3291 HN ASN A 299 -8.002 10.858 -10.862 1.00 15.00 A H +ATOM 3292 CA ASN A 299 -8.478 10.448 -8.857 1.00 15.00 A C +ATOM 3293 HA ASN A 299 -8.113 10.940 -7.969 1.00 15.00 A H +ATOM 3294 CB ASN A 299 -9.930 10.880 -9.119 1.00 15.00 A C +ATOM 3295 HB1 ASN A 299 -9.985 11.955 -9.075 1.00 15.00 A H +ATOM 3296 HB2 ASN A 299 -10.561 10.465 -8.345 1.00 15.00 A H +ATOM 3297 CG ASN A 299 -10.480 10.429 -10.469 1.00 15.00 A C +ATOM 3298 OD1 ASN A 299 -9.739 10.181 -11.421 1.00 15.00 A O +ATOM 3299 ND2 ASN A 299 -11.800 10.337 -10.557 1.00 15.00 A N +ATOM 3300 HD21 ASN A 299 -12.331 10.557 -9.763 1.00 15.00 A H +ATOM 3301 HD22 ASN A 299 -12.188 10.052 -11.410 1.00 15.00 A H +ATOM 3302 C ASN A 299 -8.372 8.943 -8.658 1.00 15.00 A C +ATOM 3303 O ASN A 299 -8.209 8.194 -9.622 1.00 15.00 A O +ATOM 3304 N ARG A 300 -8.457 8.498 -7.420 1.00 15.00 A N +ATOM 3305 HN ARG A 300 -8.613 9.131 -6.690 1.00 15.00 A H +ATOM 3306 CA ARG A 300 -8.299 7.082 -7.119 1.00 15.00 A C +ATOM 3307 HA ARG A 300 -7.601 6.681 -7.832 1.00 15.00 A H +ATOM 3308 CB ARG A 300 -7.705 6.927 -5.729 1.00 15.00 A C +ATOM 3309 HB1 ARG A 300 -7.114 6.026 -5.706 1.00 15.00 A H +ATOM 3310 HB2 ARG A 300 -8.507 6.844 -5.015 1.00 15.00 A H +ATOM 3311 CG ARG A 300 -6.819 8.088 -5.323 1.00 15.00 A C +ATOM 3312 HG1 ARG A 300 -7.433 8.910 -4.998 1.00 15.00 A H +ATOM 3313 HG2 ARG A 300 -6.236 8.392 -6.175 1.00 15.00 A H +ATOM 3314 CD ARG A 300 -5.888 7.690 -4.197 1.00 15.00 A C +ATOM 3315 HD1 ARG A 300 -6.484 7.359 -3.353 1.00 15.00 A H +ATOM 3316 HD2 ARG A 300 -5.292 8.551 -3.920 1.00 15.00 A H +ATOM 3317 NE ARG A 300 -5.005 6.610 -4.607 1.00 15.00 A N +ATOM 3318 HE ARG A 300 -5.401 5.721 -4.709 1.00 15.00 A H +ATOM 3319 CZ ARG A 300 -3.713 6.759 -4.854 1.00 15.00 A C +ATOM 3320 NH1 ARG A 300 -3.136 7.951 -4.726 1.00 15.00 A N +ATOM 3321 HH11 ARG A 300 -2.125 8.066 -4.935 1.00 15.00 A H +ATOM 3322 HH12 ARG A 300 -3.693 8.763 -4.404 1.00 15.00 A H +ATOM 3323 NH2 ARG A 300 -3.001 5.717 -5.247 1.00 15.00 A N +ATOM 3324 HH21 ARG A 300 -3.451 4.784 -5.356 1.00 15.00 A H +ATOM 3325 HH22 ARG A 300 -1.985 5.827 -5.438 1.00 15.00 A H +ATOM 3326 C ARG A 300 -9.592 6.272 -7.200 1.00 15.00 A C +ATOM 3327 O ARG A 300 -10.639 6.687 -6.693 1.00 15.00 A O +ATOM 3328 N PRO A 301 -9.516 5.090 -7.846 1.00 15.00 A N +ATOM 3329 CA PRO A 301 -10.651 4.168 -7.965 1.00 15.00 A C +ATOM 3330 HA PRO A 301 -11.490 4.635 -8.461 1.00 15.00 A H +ATOM 3331 CB PRO A 301 -10.103 3.023 -8.835 1.00 15.00 A C +ATOM 3332 HB1 PRO A 301 -10.832 2.740 -9.576 1.00 15.00 A H +ATOM 3333 HB2 PRO A 301 -9.852 2.173 -8.211 1.00 15.00 A H +ATOM 3334 CG PRO A 301 -8.890 3.571 -9.497 1.00 15.00 A C +ATOM 3335 HG1 PRO A 301 -9.162 4.050 -10.427 1.00 15.00 A H +ATOM 3336 HG2 PRO A 301 -8.178 2.775 -9.676 1.00 15.00 A H +ATOM 3337 CD PRO A 301 -8.323 4.582 -8.551 1.00 15.00 A C +ATOM 3338 HD1 PRO A 301 -7.834 5.371 -9.102 1.00 15.00 A H +ATOM 3339 HD2 PRO A 301 -7.630 4.114 -7.863 1.00 15.00 A H +ATOM 3340 C PRO A 301 -11.094 3.632 -6.597 1.00 15.00 A C +ATOM 3341 O PRO A 301 -10.320 3.627 -5.639 1.00 15.00 A O +ATOM 3342 N VAL A 302 -12.347 3.193 -6.515 1.00 15.00 A N +ATOM 3343 HN VAL A 302 -12.911 3.222 -7.318 1.00 15.00 A H +ATOM 3344 CA VAL A 302 -12.913 2.663 -5.273 1.00 15.00 A C +ATOM 3345 HA VAL A 302 -12.121 2.582 -4.546 1.00 15.00 A H +ATOM 3346 CB VAL A 302 -14.016 3.586 -4.705 1.00 15.00 A C +ATOM 3347 HB VAL A 302 -14.802 3.664 -5.442 1.00 15.00 A H +ATOM 3348 CG1 VAL A 302 -14.615 2.998 -3.435 1.00 15.00 A C +ATOM 3349 HG11 VAL A 302 -14.733 1.931 -3.554 1.00 15.00 A H +ATOM 3350 HG12 VAL A 302 -15.577 3.448 -3.249 1.00 15.00 A H +ATOM 3351 HG13 VAL A 302 -13.957 3.197 -2.602 1.00 15.00 A H +ATOM 3352 CG2 VAL A 302 -13.481 4.979 -4.439 1.00 15.00 A C +ATOM 3353 HG21 VAL A 302 -14.305 5.652 -4.250 1.00 15.00 A H +ATOM 3354 HG22 VAL A 302 -12.925 5.323 -5.298 1.00 15.00 A H +ATOM 3355 HG23 VAL A 302 -12.832 4.956 -3.575 1.00 15.00 A H +ATOM 3356 C VAL A 302 -13.521 1.292 -5.516 1.00 15.00 A C +ATOM 3357 O VAL A 302 -14.467 1.166 -6.279 1.00 15.00 A O +ATOM 3358 N VAL A 303 -12.994 0.269 -4.854 1.00 15.00 A N +ATOM 3359 HN VAL A 303 -12.257 0.429 -4.228 1.00 15.00 A H +ATOM 3360 CA VAL A 303 -13.501 -1.085 -5.032 1.00 15.00 A C +ATOM 3361 HA VAL A 303 -14.193 -1.068 -5.861 1.00 15.00 A H +ATOM 3362 CB VAL A 303 -12.375 -2.076 -5.376 1.00 15.00 A C +ATOM 3363 HB VAL A 303 -11.703 -2.141 -4.534 1.00 15.00 A H +ATOM 3364 CG1 VAL A 303 -12.942 -3.461 -5.646 1.00 15.00 A C +ATOM 3365 HG11 VAL A 303 -12.148 -4.192 -5.610 1.00 15.00 A H +ATOM 3366 HG12 VAL A 303 -13.401 -3.478 -6.624 1.00 15.00 A H +ATOM 3367 HG13 VAL A 303 -13.684 -3.699 -4.896 1.00 15.00 A H +ATOM 3368 CG2 VAL A 303 -11.596 -1.573 -6.577 1.00 15.00 A C +ATOM 3369 HG21 VAL A 303 -10.893 -2.326 -6.894 1.00 15.00 A H +ATOM 3370 HG22 VAL A 303 -11.063 -0.673 -6.305 1.00 15.00 A H +ATOM 3371 HG23 VAL A 303 -12.283 -1.354 -7.381 1.00 15.00 A H +ATOM 3372 C VAL A 303 -14.245 -1.573 -3.798 1.00 15.00 A C +ATOM 3373 O VAL A 303 -13.669 -1.720 -2.719 1.00 15.00 A O +ATOM 3374 N ASP A 304 -15.533 -1.818 -3.979 1.00 15.00 A N +ATOM 3375 HN ASP A 304 -15.923 -1.669 -4.865 1.00 15.00 A H +ATOM 3376 CA ASP A 304 -16.383 -2.309 -2.913 1.00 15.00 A C +ATOM 3377 HA ASP A 304 -15.878 -2.121 -1.980 1.00 15.00 A H +ATOM 3378 CB ASP A 304 -17.713 -1.562 -2.916 1.00 15.00 A C +ATOM 3379 HB1 ASP A 304 -18.484 -2.191 -2.494 1.00 15.00 A H +ATOM 3380 HB2 ASP A 304 -17.975 -1.304 -3.931 1.00 15.00 A H +ATOM 3381 CG ASP A 304 -17.629 -0.290 -2.102 1.00 15.00 A C +ATOM 3382 OD1 ASP A 304 -17.061 -0.340 -0.991 1.00 15.00 A O +ATOM 3383 OD2 ASP A 304 -18.119 0.757 -2.574 1.00 15.00 A O +ATOM 3384 C ASP A 304 -16.578 -3.807 -3.062 1.00 15.00 A C +ATOM 3385 O ASP A 304 -16.982 -4.292 -4.120 1.00 15.00 A O +ATOM 3386 N ILE A 305 -16.280 -4.536 -1.998 1.00 15.00 A N +ATOM 3387 HN ILE A 305 -15.995 -4.086 -1.177 1.00 15.00 A H +ATOM 3388 CA ILE A 305 -16.375 -5.986 -2.020 1.00 15.00 A C +ATOM 3389 HA ILE A 305 -16.682 -6.282 -3.009 1.00 15.00 A H +ATOM 3390 CB ILE A 305 -15.001 -6.636 -1.738 1.00 15.00 A C +ATOM 3391 HB ILE A 305 -14.599 -6.193 -0.840 1.00 15.00 A H +ATOM 3392 CG1 ILE A 305 -14.033 -6.375 -2.892 1.00 15.00 A C +ATOM 3393 HG11 ILE A 305 -14.358 -5.503 -3.440 1.00 15.00 A H +ATOM 3394 HG12 ILE A 305 -14.025 -7.231 -3.552 1.00 15.00 A H +ATOM 3395 CG2 ILE A 305 -15.156 -8.130 -1.491 1.00 15.00 A C +ATOM 3396 HG21 ILE A 305 -15.550 -8.288 -0.498 1.00 15.00 A H +ATOM 3397 HG22 ILE A 305 -14.197 -8.615 -1.581 1.00 15.00 A H +ATOM 3398 HG23 ILE A 305 -15.840 -8.542 -2.217 1.00 15.00 A H +ATOM 3399 CD1 ILE A 305 -12.616 -6.132 -2.431 1.00 15.00 A C +ATOM 3400 HD11 ILE A 305 -12.279 -6.978 -1.853 1.00 15.00 A H +ATOM 3401 HD12 ILE A 305 -12.588 -5.242 -1.821 1.00 15.00 A H +ATOM 3402 HD13 ILE A 305 -11.974 -6.002 -3.289 1.00 15.00 A H +ATOM 3403 C ILE A 305 -17.386 -6.525 -1.016 1.00 15.00 A C +ATOM 3404 O ILE A 305 -17.201 -6.422 0.202 1.00 15.00 A O +ATOM 3405 N ASN A 306 -18.452 -7.105 -1.541 1.00 15.00 A N +ATOM 3406 HN ASN A 306 -18.561 -7.114 -2.516 1.00 15.00 A H +ATOM 3407 CA ASN A 306 -19.469 -7.716 -0.711 1.00 15.00 A C +ATOM 3408 HA ASN A 306 -19.546 -7.138 0.196 1.00 15.00 A H +ATOM 3409 CB ASN A 306 -20.816 -7.709 -1.437 1.00 15.00 A C +ATOM 3410 HB1 ASN A 306 -20.765 -8.369 -2.289 1.00 15.00 A H +ATOM 3411 HB2 ASN A 306 -21.020 -6.704 -1.776 1.00 15.00 A H +ATOM 3412 CG ASN A 306 -21.968 -8.147 -0.556 1.00 15.00 A C +ATOM 3413 OD1 ASN A 306 -21.866 -9.108 0.199 1.00 15.00 A O +ATOM 3414 ND2 ASN A 306 -23.072 -7.426 -0.647 1.00 15.00 A N +ATOM 3415 HD21 ASN A 306 -23.075 -6.668 -1.264 1.00 15.00 A H +ATOM 3416 HD22 ASN A 306 -23.837 -7.681 -0.092 1.00 15.00 A H +ATOM 3417 C ASN A 306 -19.018 -9.129 -0.360 1.00 15.00 A C +ATOM 3418 O ASN A 306 -18.915 -9.996 -1.224 1.00 15.00 A O +ATOM 3419 N MET A 307 -18.719 -9.334 0.919 1.00 15.00 A N +ATOM 3420 HN MET A 307 -18.817 -8.587 1.548 1.00 15.00 A H +ATOM 3421 CA MET A 307 -18.234 -10.622 1.424 1.00 15.00 A C +ATOM 3422 HA MET A 307 -17.424 -10.943 0.787 1.00 15.00 A H +ATOM 3423 CB MET A 307 -17.687 -10.436 2.844 1.00 15.00 A C +ATOM 3424 HB1 MET A 307 -17.372 -11.396 3.226 1.00 15.00 A H +ATOM 3425 HB2 MET A 307 -18.477 -10.052 3.472 1.00 15.00 A H +ATOM 3426 CG MET A 307 -16.509 -9.480 2.933 1.00 15.00 A C +ATOM 3427 HG1 MET A 307 -16.203 -9.403 3.967 1.00 15.00 A H +ATOM 3428 HG2 MET A 307 -16.823 -8.509 2.581 1.00 15.00 A H +ATOM 3429 SD MET A 307 -15.096 -10.019 1.955 1.00 15.00 A S +ATOM 3430 CE MET A 307 -14.582 -11.468 2.875 1.00 15.00 A C +ATOM 3431 HE1 MET A 307 -15.282 -12.273 2.702 1.00 15.00 A H +ATOM 3432 HE2 MET A 307 -14.557 -11.233 3.928 1.00 15.00 A H +ATOM 3433 HE3 MET A 307 -13.598 -11.770 2.550 1.00 15.00 A H +ATOM 3434 C MET A 307 -19.307 -11.713 1.451 1.00 15.00 A C +ATOM 3435 O MET A 307 -18.986 -12.887 1.637 1.00 15.00 A O +ATOM 3436 N GLU A 308 -20.563 -11.341 1.255 1.00 15.00 A N +ATOM 3437 HN GLU A 308 -20.763 -10.398 1.062 1.00 15.00 A H +ATOM 3438 CA GLU A 308 -21.658 -12.308 1.317 1.00 15.00 A C +ATOM 3439 HA GLU A 308 -21.309 -13.144 1.906 1.00 15.00 A H +ATOM 3440 CB GLU A 308 -22.848 -11.680 2.037 1.00 15.00 A C +ATOM 3441 HB1 GLU A 308 -23.678 -12.371 2.020 1.00 15.00 A H +ATOM 3442 HB2 GLU A 308 -23.130 -10.772 1.525 1.00 15.00 A H +ATOM 3443 CG GLU A 308 -22.540 -11.334 3.487 1.00 15.00 A C +ATOM 3444 HG1 GLU A 308 -21.518 -10.990 3.549 1.00 15.00 A H +ATOM 3445 HG2 GLU A 308 -22.654 -12.225 4.087 1.00 15.00 A H +ATOM 3446 CD GLU A 308 -23.448 -10.258 4.044 1.00 15.00 A C +ATOM 3447 OE1 GLU A 308 -23.333 -9.097 3.599 1.00 15.00 A O +ATOM 3448 OE2 GLU A 308 -24.268 -10.572 4.936 1.00 15.00 A O +ATOM 3449 C GLU A 308 -22.072 -12.837 -0.056 1.00 15.00 A C +ATOM 3450 O GLU A 308 -22.345 -14.029 -0.203 1.00 15.00 A O +ATOM 3451 N ASP A 309 -22.114 -11.968 -1.058 1.00 15.00 A N +ATOM 3452 HN ASP A 309 -21.877 -11.029 -0.893 1.00 15.00 A H +ATOM 3453 CA ASP A 309 -22.510 -12.388 -2.402 1.00 15.00 A C +ATOM 3454 HA ASP A 309 -22.958 -13.368 -2.323 1.00 15.00 A H +ATOM 3455 CB ASP A 309 -23.544 -11.420 -2.992 1.00 15.00 A C +ATOM 3456 HB1 ASP A 309 -24.095 -11.927 -3.771 1.00 15.00 A H +ATOM 3457 HB2 ASP A 309 -23.028 -10.574 -3.419 1.00 15.00 A H +ATOM 3458 CG ASP A 309 -24.533 -10.905 -1.963 1.00 15.00 A C +ATOM 3459 OD1 ASP A 309 -25.219 -11.735 -1.331 1.00 15.00 A O +ATOM 3460 OD2 ASP A 309 -24.630 -9.670 -1.801 1.00 15.00 A O +ATOM 3461 C ASP A 309 -21.302 -12.473 -3.332 1.00 15.00 A C +ATOM 3462 O ASP A 309 -21.395 -13.047 -4.421 1.00 15.00 A O +ATOM 3463 N TYR A 310 -20.174 -11.907 -2.876 1.00 15.00 A N +ATOM 3464 HN TYR A 310 -20.191 -11.485 -1.987 1.00 15.00 A H +ATOM 3465 CA TYR A 310 -18.920 -11.861 -3.644 1.00 15.00 A C +ATOM 3466 HA TYR A 310 -18.135 -11.553 -2.972 1.00 15.00 A H +ATOM 3467 CB TYR A 310 -18.554 -13.228 -4.243 1.00 15.00 A C +ATOM 3468 HB1 TYR A 310 -17.616 -13.127 -4.771 1.00 15.00 A H +ATOM 3469 HB2 TYR A 310 -19.319 -13.518 -4.942 1.00 15.00 A H +ATOM 3470 CG TYR A 310 -18.411 -14.352 -3.232 1.00 15.00 A C +ATOM 3471 CD1 TYR A 310 -17.680 -14.178 -2.062 1.00 15.00 A C +ATOM 3472 HD1 TYR A 310 -17.233 -13.211 -1.863 1.00 15.00 A H +ATOM 3473 CD2 TYR A 310 -18.992 -15.596 -3.459 1.00 15.00 A C +ATOM 3474 HD2 TYR A 310 -19.571 -15.748 -4.356 1.00 15.00 A H +ATOM 3475 CE1 TYR A 310 -17.539 -15.206 -1.142 1.00 15.00 A C +ATOM 3476 HE1 TYR A 310 -16.964 -15.050 -0.241 1.00 15.00 A H +ATOM 3477 CE2 TYR A 310 -18.858 -16.623 -2.548 1.00 15.00 A C +ATOM 3478 HE2 TYR A 310 -19.319 -17.578 -2.747 1.00 15.00 A H +ATOM 3479 CZ TYR A 310 -18.125 -16.429 -1.391 1.00 15.00 A C +ATOM 3480 OH TYR A 310 -17.998 -17.458 -0.486 1.00 15.00 A O +ATOM 3481 HH TYR A 310 -17.666 -18.240 -0.946 1.00 15.00 A H +ATOM 3482 C TYR A 310 -19.025 -10.824 -4.760 1.00 15.00 A C +ATOM 3483 O TYR A 310 -18.209 -10.791 -5.685 1.00 15.00 A O +ATOM 3484 N SER A 311 -20.038 -9.973 -4.656 1.00 15.00 A N +ATOM 3485 HN SER A 311 -20.643 -10.048 -3.892 1.00 15.00 A H +ATOM 3486 CA SER A 311 -20.287 -8.933 -5.645 1.00 15.00 A C +ATOM 3487 HA SER A 311 -20.264 -9.389 -6.622 1.00 15.00 A H +ATOM 3488 CB SER A 311 -21.665 -8.314 -5.419 1.00 15.00 A C +ATOM 3489 HB1 SER A 311 -22.162 -8.193 -6.368 1.00 15.00 A H +ATOM 3490 HB2 SER A 311 -21.552 -7.351 -4.947 1.00 15.00 A H +ATOM 3491 OG SER A 311 -22.462 -9.135 -4.588 1.00 15.00 A O +ATOM 3492 HG SER A 311 -22.631 -8.681 -3.758 1.00 15.00 A H +ATOM 3493 C SER A 311 -19.232 -7.842 -5.588 1.00 15.00 A C +ATOM 3494 O SER A 311 -18.730 -7.498 -4.516 1.00 15.00 A O +ATOM 3495 N ILE A 312 -18.904 -7.294 -6.753 1.00 15.00 A N +ATOM 3496 HN ILE A 312 -19.335 -7.614 -7.572 1.00 15.00 A H +ATOM 3497 CA ILE A 312 -17.915 -6.232 -6.839 1.00 15.00 A C +ATOM 3498 HA ILE A 312 -17.570 -6.021 -5.837 1.00 15.00 A H +ATOM 3499 CB ILE A 312 -16.689 -6.628 -7.696 1.00 15.00 A C +ATOM 3500 HB ILE A 312 -16.989 -6.638 -8.734 1.00 15.00 A H +ATOM 3501 CG1 ILE A 312 -16.184 -8.018 -7.302 1.00 15.00 A C +ATOM 3502 HG11 ILE A 312 -15.352 -8.280 -7.937 1.00 15.00 A H +ATOM 3503 HG12 ILE A 312 -16.980 -8.734 -7.441 1.00 15.00 A H +ATOM 3504 CG2 ILE A 312 -15.576 -5.599 -7.534 1.00 15.00 A C +ATOM 3505 HG21 ILE A 312 -14.724 -5.888 -8.132 1.00 15.00 A H +ATOM 3506 HG22 ILE A 312 -15.286 -5.549 -6.496 1.00 15.00 A H +ATOM 3507 HG23 ILE A 312 -15.930 -4.630 -7.854 1.00 15.00 A H +ATOM 3508 CD1 ILE A 312 -15.722 -8.113 -5.863 1.00 15.00 A C +ATOM 3509 HD11 ILE A 312 -14.913 -7.418 -5.695 1.00 15.00 A H +ATOM 3510 HD12 ILE A 312 -15.383 -9.116 -5.657 1.00 15.00 A H +ATOM 3511 HD13 ILE A 312 -16.544 -7.869 -5.203 1.00 15.00 A H +ATOM 3512 C ILE A 312 -18.527 -4.964 -7.412 1.00 15.00 A C +ATOM 3513 O ILE A 312 -19.276 -4.996 -8.386 1.00 15.00 A O +ATOM 3514 N ASP A 313 -18.218 -3.855 -6.771 1.00 15.00 A N +ATOM 3515 HN ASP A 313 -17.651 -3.915 -5.974 1.00 15.00 A H +ATOM 3516 CA ASP A 313 -18.690 -2.553 -7.199 1.00 15.00 A C +ATOM 3517 HA ASP A 313 -19.089 -2.653 -8.196 1.00 15.00 A H +ATOM 3518 CB ASP A 313 -19.780 -2.039 -6.253 1.00 15.00 A C +ATOM 3519 HB1 ASP A 313 -19.346 -1.857 -5.280 1.00 15.00 A H +ATOM 3520 HB2 ASP A 313 -20.548 -2.793 -6.160 1.00 15.00 A H +ATOM 3521 CG ASP A 313 -20.427 -0.758 -6.742 1.00 15.00 A C +ATOM 3522 OD1 ASP A 313 -20.572 -0.598 -7.974 1.00 15.00 A O +ATOM 3523 OD2 ASP A 313 -20.791 0.084 -5.895 1.00 15.00 A O +ATOM 3524 C ASP A 313 -17.507 -1.604 -7.229 1.00 15.00 A C +ATOM 3525 O ASP A 313 -16.556 -1.785 -6.477 1.00 15.00 A O +ATOM 3526 N SER A 314 -17.528 -0.623 -8.116 1.00 15.00 A N +ATOM 3527 HN SER A 314 -18.291 -0.525 -8.726 1.00 15.00 A H +ATOM 3528 CA SER A 314 -16.413 0.302 -8.183 1.00 15.00 A C +ATOM 3529 HA SER A 314 -16.052 0.429 -7.175 1.00 15.00 A H +ATOM 3530 CB SER A 314 -15.280 -0.282 -9.023 1.00 15.00 A C +ATOM 3531 HB1 SER A 314 -15.122 -1.312 -8.739 1.00 15.00 A H +ATOM 3532 HB2 SER A 314 -14.378 0.283 -8.846 1.00 15.00 A H +ATOM 3533 OG SER A 314 -15.586 -0.232 -10.401 1.00 15.00 A O +ATOM 3534 HG SER A 314 -15.106 -0.924 -10.861 1.00 15.00 A H +ATOM 3535 C SER A 314 -16.808 1.671 -8.709 1.00 15.00 A C +ATOM 3536 O SER A 314 -17.743 1.823 -9.493 1.00 15.00 A O +ATOM 3537 N SER A 315 -16.068 2.660 -8.234 1.00 15.00 A N +ATOM 3538 HN SER A 315 -15.363 2.444 -7.586 1.00 15.00 A H +ATOM 3539 CA SER A 315 -16.256 4.046 -8.612 1.00 15.00 A C +ATOM 3540 HA SER A 315 -16.513 4.078 -9.660 1.00 15.00 A H +ATOM 3541 CB SER A 315 -17.390 4.660 -7.786 1.00 15.00 A C +ATOM 3542 HB1 SER A 315 -18.340 4.335 -8.182 1.00 15.00 A H +ATOM 3543 HB2 SER A 315 -17.331 5.733 -7.840 1.00 15.00 A H +ATOM 3544 OG SER A 315 -17.298 4.267 -6.425 1.00 15.00 A O +ATOM 3545 HG SER A 315 -17.207 3.312 -6.369 1.00 15.00 A H +ATOM 3546 C SER A 315 -14.951 4.809 -8.385 1.00 15.00 A C +ATOM 3547 O SER A 315 -13.870 4.233 -8.461 1.00 15.00 A O +ATOM 3548 N TYR A 316 -15.051 6.110 -8.139 1.00 15.00 A N +ATOM 3549 HN TYR A 316 -15.939 6.525 -8.129 1.00 15.00 A H +ATOM 3550 CA TYR A 316 -13.879 6.942 -7.878 1.00 15.00 A C +ATOM 3551 HA TYR A 316 -13.060 6.288 -7.631 1.00 15.00 A H +ATOM 3552 CB TYR A 316 -13.503 7.782 -9.113 1.00 15.00 A C +ATOM 3553 HB1 TYR A 316 -12.822 8.568 -8.812 1.00 15.00 A H +ATOM 3554 HB2 TYR A 316 -14.403 8.232 -9.513 1.00 15.00 A H +ATOM 3555 CG TYR A 316 -12.839 6.989 -10.229 1.00 15.00 A C +ATOM 3556 CD1 TYR A 316 -13.581 6.142 -11.041 1.00 15.00 A C +ATOM 3557 HD1 TYR A 316 -14.654 6.059 -10.878 1.00 15.00 A H +ATOM 3558 CD2 TYR A 316 -11.469 7.090 -10.464 1.00 15.00 A C +ATOM 3559 HD2 TYR A 316 -10.886 7.753 -9.843 1.00 15.00 A H +ATOM 3560 CE1 TYR A 316 -12.983 5.430 -12.061 1.00 15.00 A C +ATOM 3561 HE1 TYR A 316 -13.577 4.779 -12.683 1.00 15.00 A H +ATOM 3562 CE2 TYR A 316 -10.862 6.382 -11.481 1.00 15.00 A C +ATOM 3563 HE2 TYR A 316 -9.807 6.480 -11.644 1.00 15.00 A H +ATOM 3564 CZ TYR A 316 -11.627 5.544 -12.275 1.00 15.00 A C +ATOM 3565 OH TYR A 316 -11.041 4.849 -13.310 1.00 15.00 A O +ATOM 3566 HH TYR A 316 -10.109 4.676 -13.097 1.00 15.00 A H +ATOM 3567 C TYR A 316 -14.172 7.844 -6.685 1.00 15.00 A C +ATOM 3568 O TYR A 316 -15.337 8.129 -6.398 1.00 15.00 A O +ATOM 3569 N VAL A 317 -13.132 8.275 -5.982 1.00 15.00 A N +ATOM 3570 HN VAL A 317 -12.229 8.005 -6.244 1.00 15.00 A H +ATOM 3571 CA VAL A 317 -13.320 9.138 -4.816 1.00 15.00 A C +ATOM 3572 HA VAL A 317 -14.101 8.692 -4.223 1.00 15.00 A H +ATOM 3573 CB VAL A 317 -12.051 9.217 -3.935 1.00 15.00 A C +ATOM 3574 HB VAL A 317 -12.183 10.020 -3.227 1.00 15.00 A H +ATOM 3575 CG1 VAL A 317 -11.865 7.927 -3.147 1.00 15.00 A C +ATOM 3576 HG11 VAL A 317 -12.809 7.628 -2.716 1.00 15.00 A H +ATOM 3577 HG12 VAL A 317 -11.145 8.085 -2.358 1.00 15.00 A H +ATOM 3578 HG13 VAL A 317 -11.508 7.147 -3.805 1.00 15.00 A H +ATOM 3579 CG2 VAL A 317 -10.812 9.519 -4.770 1.00 15.00 A C +ATOM 3580 HG21 VAL A 317 -10.860 10.534 -5.132 1.00 15.00 A H +ATOM 3581 HG22 VAL A 317 -10.764 8.839 -5.608 1.00 15.00 A H +ATOM 3582 HG23 VAL A 317 -9.929 9.397 -4.159 1.00 15.00 A H +ATOM 3583 C VAL A 317 -13.779 10.546 -5.217 1.00 15.00 A C +ATOM 3584 O VAL A 317 -13.069 11.280 -5.905 1.00 15.00 A O +ATOM 3585 N CYS A 318 -14.988 10.892 -4.758 1.00 15.00 A N +ATOM 3586 HN CYS A 318 -15.467 10.248 -4.198 1.00 15.00 A H +ATOM 3587 CA CYS A 318 -15.649 12.178 -5.042 1.00 15.00 A C +ATOM 3588 HA CYS A 318 -15.981 12.159 -6.070 1.00 15.00 A H +ATOM 3589 HB1 CYS A 318 -17.187 13.360 -4.120 1.00 15.00 A H +ATOM 3590 HB2 CYS A 318 -16.634 12.001 -3.145 1.00 15.00 A H +ATOM 3591 C CYS A 318 -14.752 13.399 -4.848 1.00 15.00 A C +ATOM 3592 O CYS A 318 -14.839 14.351 -5.623 1.00 15.00 A O +ATOM 3593 CB CYS A 318 -16.884 12.323 -4.144 1.00 15.00 A C +ATOM 3594 SG CYS A 318 -18.316 11.349 -4.693 1.00 15.00 A S +ATOM 3595 N SER A 319 -13.908 13.358 -3.816 1.00 15.00 A N +ATOM 3596 HN SER A 319 -13.885 12.550 -3.258 1.00 15.00 A H +ATOM 3597 CA SER A 319 -13.011 14.464 -3.481 1.00 15.00 A C +ATOM 3598 HA SER A 319 -13.606 15.226 -2.997 1.00 15.00 A H +ATOM 3599 CB SER A 319 -11.947 13.985 -2.488 1.00 15.00 A C +ATOM 3600 HB1 SER A 319 -11.617 12.995 -2.766 1.00 15.00 A H +ATOM 3601 HB2 SER A 319 -12.378 13.952 -1.496 1.00 15.00 A H +ATOM 3602 OG SER A 319 -10.831 14.854 -2.460 1.00 15.00 A O +ATOM 3603 HG SER A 319 -10.118 14.441 -1.965 1.00 15.00 A H +ATOM 3604 C SER A 319 -12.357 15.085 -4.717 1.00 15.00 A C +ATOM 3605 O SER A 319 -11.623 14.424 -5.454 1.00 15.00 A O +ATOM 3606 N GLY A 320 -12.644 16.374 -4.927 1.00 15.00 A N +ATOM 3607 HN GLY A 320 -13.232 16.840 -4.293 1.00 15.00 A H +ATOM 3608 CA GLY A 320 -12.101 17.106 -6.059 1.00 15.00 A C +ATOM 3609 HA1 GLY A 320 -12.672 18.013 -6.200 1.00 15.00 A H +ATOM 3610 HA2 GLY A 320 -12.186 16.496 -6.946 1.00 15.00 A H +ATOM 3611 C GLY A 320 -10.653 17.469 -5.853 1.00 15.00 A C +ATOM 3612 O GLY A 320 -9.995 17.982 -6.757 1.00 15.00 A O +ATOM 3613 N LEU A 321 -10.162 17.213 -4.646 1.00 15.00 A N +ATOM 3614 HN LEU A 321 -10.749 16.823 -3.964 1.00 15.00 A H +ATOM 3615 CA LEU A 321 -8.780 17.490 -4.321 1.00 15.00 A C +ATOM 3616 HA LEU A 321 -8.548 18.467 -4.709 1.00 15.00 A H +ATOM 3617 CB LEU A 321 -8.582 17.511 -2.803 1.00 15.00 A C +ATOM 3618 HB1 LEU A 321 -7.557 17.256 -2.585 1.00 15.00 A H +ATOM 3619 HB2 LEU A 321 -9.233 16.768 -2.361 1.00 15.00 A H +ATOM 3620 CG LEU A 321 -8.891 18.871 -2.165 1.00 15.00 A C +ATOM 3621 HG LEU A 321 -9.884 19.173 -2.454 1.00 15.00 A H +ATOM 3622 CD1 LEU A 321 -8.854 18.800 -0.649 1.00 15.00 A C +ATOM 3623 HD11 LEU A 321 -8.982 19.792 -0.243 1.00 15.00 A H +ATOM 3624 HD12 LEU A 321 -7.904 18.400 -0.326 1.00 15.00 A H +ATOM 3625 HD13 LEU A 321 -9.651 18.163 -0.299 1.00 15.00 A H +ATOM 3626 CD2 LEU A 321 -7.920 19.919 -2.677 1.00 15.00 A C +ATOM 3627 HD21 LEU A 321 -8.344 20.414 -3.537 1.00 15.00 A H +ATOM 3628 HD22 LEU A 321 -6.993 19.441 -2.964 1.00 15.00 A H +ATOM 3629 HD23 LEU A 321 -7.724 20.646 -1.901 1.00 15.00 A H +ATOM 3630 C LEU A 321 -7.874 16.476 -5.010 1.00 15.00 A C +ATOM 3631 O LEU A 321 -6.799 16.835 -5.497 1.00 15.00 A O +ATOM 3632 N VAL A 322 -8.323 15.211 -5.052 1.00 15.00 A N +ATOM 3633 HN VAL A 322 -9.174 14.995 -4.612 1.00 15.00 A H +ATOM 3634 CA VAL A 322 -7.587 14.136 -5.735 1.00 15.00 A C +ATOM 3635 HA VAL A 322 -8.209 13.254 -5.692 1.00 15.00 A H +ATOM 3636 CB VAL A 322 -7.404 14.513 -7.234 1.00 15.00 A C +ATOM 3637 HB VAL A 322 -7.279 15.588 -7.305 1.00 15.00 A H +ATOM 3638 CG1 VAL A 322 -6.180 13.853 -7.848 1.00 15.00 A C +ATOM 3639 HG11 VAL A 322 -5.844 14.434 -8.693 1.00 15.00 A H +ATOM 3640 HG12 VAL A 322 -6.437 12.857 -8.179 1.00 15.00 A H +ATOM 3641 HG13 VAL A 322 -5.391 13.795 -7.113 1.00 15.00 A H +ATOM 3642 CG2 VAL A 322 -8.671 14.139 -8.002 1.00 15.00 A C +ATOM 3643 HG21 VAL A 322 -9.517 14.659 -7.578 1.00 15.00 A H +ATOM 3644 HG22 VAL A 322 -8.834 13.075 -7.927 1.00 15.00 A H +ATOM 3645 HG23 VAL A 322 -8.565 14.413 -9.041 1.00 15.00 A H +ATOM 3646 C VAL A 322 -6.244 13.806 -5.044 1.00 15.00 A C +ATOM 3647 O VAL A 322 -5.527 14.698 -4.590 1.00 15.00 A O +ATOM 3648 N GLY A 323 -5.888 12.513 -4.968 1.00 15.00 A N +ATOM 3649 HN GLY A 323 -6.452 11.817 -5.374 1.00 15.00 A H +ATOM 3650 CA GLY A 323 -4.660 12.156 -4.265 1.00 15.00 A C +ATOM 3651 HA1 GLY A 323 -4.932 11.559 -3.402 1.00 15.00 A H +ATOM 3652 HA2 GLY A 323 -4.207 13.066 -3.904 1.00 15.00 A H +ATOM 3653 C GLY A 323 -3.602 11.391 -5.064 1.00 15.00 A C +ATOM 3654 O GLY A 323 -2.601 10.979 -4.475 1.00 15.00 A O +ATOM 3655 N ASP A 324 -3.768 11.202 -6.377 1.00 15.00 A N +ATOM 3656 HN ASP A 324 -4.557 11.571 -6.832 1.00 15.00 A H +ATOM 3657 CA ASP A 324 -2.753 10.453 -7.143 1.00 15.00 A C +ATOM 3658 HA ASP A 324 -2.330 9.722 -6.469 1.00 15.00 A H +ATOM 3659 CB ASP A 324 -3.358 9.709 -8.341 1.00 15.00 A C +ATOM 3660 HB1 ASP A 324 -3.347 10.362 -9.203 1.00 15.00 A H +ATOM 3661 HB2 ASP A 324 -4.375 9.435 -8.115 1.00 15.00 A H +ATOM 3662 CG ASP A 324 -2.587 8.445 -8.693 1.00 15.00 A C +ATOM 3663 OD1 ASP A 324 -1.673 8.073 -7.927 1.00 15.00 A O +ATOM 3664 OD2 ASP A 324 -2.899 7.828 -9.733 1.00 15.00 A O +ATOM 3665 C ASP A 324 -1.620 11.358 -7.621 1.00 15.00 A C +ATOM 3666 O ASP A 324 -1.700 12.582 -7.524 1.00 15.00 A O +ATOM 3667 N THR A 325 -0.559 10.732 -8.126 1.00 15.00 A N +ATOM 3668 HN THR A 325 -0.566 9.754 -8.171 1.00 15.00 A H +ATOM 3669 CA THR A 325 0.611 11.447 -8.618 1.00 15.00 A C +ATOM 3670 HA THR A 325 0.306 12.444 -8.898 1.00 15.00 A H +ATOM 3671 CB THR A 325 1.689 11.546 -7.521 1.00 15.00 A C +ATOM 3672 HB THR A 325 2.147 10.575 -7.396 1.00 15.00 A H +ATOM 3673 OG1 THR A 325 1.089 11.940 -6.279 1.00 15.00 A O +ATOM 3674 HG1 THR A 325 1.778 12.160 -5.647 1.00 15.00 A H +ATOM 3675 CG2 THR A 325 2.766 12.547 -7.896 1.00 15.00 A C +ATOM 3676 HG21 THR A 325 3.562 12.508 -7.168 1.00 15.00 A H +ATOM 3677 HG22 THR A 325 2.342 13.541 -7.914 1.00 15.00 A H +ATOM 3678 HG23 THR A 325 3.158 12.305 -8.873 1.00 15.00 A H +ATOM 3679 C THR A 325 1.187 10.734 -9.845 1.00 15.00 A C +ATOM 3680 O THR A 325 1.506 9.553 -9.767 1.00 15.00 A O +ATOM 3681 N PRO A 326 1.365 11.439 -10.986 1.00 15.00 A N +ATOM 3682 CA PRO A 326 1.058 12.878 -11.139 1.00 15.00 A C +ATOM 3683 HA PRO A 326 1.746 13.473 -10.556 1.00 15.00 A H +ATOM 3684 CB PRO A 326 1.321 13.138 -12.620 1.00 15.00 A C +ATOM 3685 HB1 PRO A 326 1.745 14.118 -12.752 1.00 15.00 A H +ATOM 3686 HB2 PRO A 326 0.397 13.045 -13.180 1.00 15.00 A H +ATOM 3687 CG PRO A 326 2.297 12.097 -13.026 1.00 15.00 A C +ATOM 3688 HG1 PRO A 326 3.298 12.416 -12.778 1.00 15.00 A H +ATOM 3689 HG2 PRO A 326 2.209 11.905 -14.089 1.00 15.00 A H +ATOM 3690 CD PRO A 326 1.935 10.876 -12.234 1.00 15.00 A C +ATOM 3691 HD1 PRO A 326 2.818 10.291 -12.026 1.00 15.00 A H +ATOM 3692 HD2 PRO A 326 1.204 10.282 -12.770 1.00 15.00 A H +ATOM 3693 C PRO A 326 -0.373 13.306 -10.792 1.00 15.00 A C +ATOM 3694 O PRO A 326 -1.291 12.496 -10.656 1.00 15.00 A O +ATOM 3695 N ARG A 327 -0.527 14.623 -10.690 1.00 15.00 A N +ATOM 3696 HN ARG A 327 0.254 15.189 -10.863 1.00 15.00 A H +ATOM 3697 CA ARG A 327 -1.779 15.277 -10.344 1.00 15.00 A C +ATOM 3698 HA ARG A 327 -2.605 14.685 -10.712 1.00 15.00 A H +ATOM 3699 CB ARG A 327 -1.847 15.389 -8.818 1.00 15.00 A C +ATOM 3700 HB1 ARG A 327 -1.002 15.967 -8.476 1.00 15.00 A H +ATOM 3701 HB2 ARG A 327 -1.769 14.397 -8.398 1.00 15.00 A H +ATOM 3702 CG ARG A 327 -3.104 16.025 -8.258 1.00 15.00 A C +ATOM 3703 HG1 ARG A 327 -3.908 15.304 -8.285 1.00 15.00 A H +ATOM 3704 HG2 ARG A 327 -3.366 16.891 -8.851 1.00 15.00 A H +ATOM 3705 CD ARG A 327 -2.864 16.448 -6.818 1.00 15.00 A C +ATOM 3706 HD1 ARG A 327 -3.812 16.583 -6.324 1.00 15.00 A H +ATOM 3707 HD2 ARG A 327 -2.320 17.381 -6.819 1.00 15.00 A H +ATOM 3708 NE ARG A 327 -2.080 15.435 -6.105 1.00 15.00 A N +ATOM 3709 HE ARG A 327 -2.349 14.499 -6.220 1.00 15.00 A H +ATOM 3710 CZ ARG A 327 -1.039 15.702 -5.317 1.00 15.00 A C +ATOM 3711 NH1 ARG A 327 -0.634 16.951 -5.123 1.00 15.00 A N +ATOM 3712 HH11 ARG A 327 -1.132 17.738 -5.585 1.00 15.00 A H +ATOM 3713 HH12 ARG A 327 0.178 17.143 -4.500 1.00 15.00 A H +ATOM 3714 NH2 ARG A 327 -0.372 14.705 -4.752 1.00 15.00 A N +ATOM 3715 HH21 ARG A 327 0.443 14.907 -4.138 1.00 15.00 A H +ATOM 3716 HH22 ARG A 327 -0.665 13.721 -4.920 1.00 15.00 A H +ATOM 3717 C ARG A 327 -1.792 16.664 -10.994 1.00 15.00 A C +ATOM 3718 O ARG A 327 -0.724 17.235 -11.216 1.00 15.00 A O +ATOM 3719 N ASN A 328 -2.961 17.212 -11.318 1.00 15.00 A N +ATOM 3720 HN ASN A 328 -3.797 16.731 -11.136 1.00 15.00 A H +ATOM 3721 CA ASN A 328 -3.006 18.538 -11.944 1.00 15.00 A C +ATOM 3722 HA ASN A 328 -2.301 18.534 -12.764 1.00 15.00 A H +ATOM 3723 CB ASN A 328 -4.400 18.846 -12.491 1.00 15.00 A C +ATOM 3724 HB1 ASN A 328 -4.722 19.808 -12.117 1.00 15.00 A H +ATOM 3725 HB2 ASN A 328 -5.092 18.086 -12.160 1.00 15.00 A H +ATOM 3726 CG ASN A 328 -4.419 18.890 -14.009 1.00 15.00 A C +ATOM 3727 OD1 ASN A 328 -3.413 18.614 -14.660 1.00 15.00 A O +ATOM 3728 ND2 ASN A 328 -5.566 19.233 -14.579 1.00 15.00 A N +ATOM 3729 HD21 ASN A 328 -6.331 19.429 -13.996 1.00 15.00 A H +ATOM 3730 HD22 ASN A 328 -5.600 19.284 -15.555 1.00 15.00 A H +ATOM 3731 C ASN A 328 -2.596 19.620 -10.955 1.00 15.00 A C +ATOM 3732 O ASN A 328 -1.563 20.261 -11.134 1.00 15.00 A O +ATOM 3733 N ASP A 329 -3.443 19.790 -9.936 1.00 15.00 A N +ATOM 3734 HN ASP A 329 -4.236 19.216 -9.915 1.00 15.00 A H +ATOM 3735 CA ASP A 329 -3.287 20.760 -8.839 1.00 15.00 A C +ATOM 3736 HA ASP A 329 -2.740 20.257 -8.049 1.00 15.00 A H +ATOM 3737 CB ASP A 329 -2.519 22.042 -9.239 1.00 15.00 A C +ATOM 3738 HB1 ASP A 329 -1.574 21.751 -9.674 1.00 15.00 A H +ATOM 3739 HB2 ASP A 329 -2.325 22.620 -8.354 1.00 15.00 A H +ATOM 3740 CG ASP A 329 -3.239 22.929 -10.241 1.00 15.00 A C +ATOM 3741 OD1 ASP A 329 -4.251 23.549 -9.866 1.00 15.00 A O +ATOM 3742 OD2 ASP A 329 -2.767 23.028 -11.395 1.00 15.00 A O +ATOM 3743 C ASP A 329 -4.683 21.087 -8.310 1.00 15.00 A C +ATOM 3744 O ASP A 329 -5.650 21.032 -9.064 1.00 15.00 A O +ATOM 3745 N ASP A 330 -4.784 21.430 -7.025 1.00 15.00 A N +ATOM 3746 HN ASP A 330 -3.970 21.498 -6.487 1.00 15.00 A H +ATOM 3747 CA ASP A 330 -6.083 21.704 -6.384 1.00 15.00 A C +ATOM 3748 HA ASP A 330 -6.633 20.772 -6.390 1.00 15.00 A H +ATOM 3749 CB ASP A 330 -5.878 22.110 -4.919 1.00 15.00 A C +ATOM 3750 HB1 ASP A 330 -6.842 22.186 -4.434 1.00 15.00 A H +ATOM 3751 HB2 ASP A 330 -5.379 23.065 -4.876 1.00 15.00 A H +ATOM 3752 CG ASP A 330 -5.045 21.091 -4.162 1.00 15.00 A C +ATOM 3753 OD1 ASP A 330 -5.009 19.919 -4.589 1.00 15.00 A O +ATOM 3754 OD2 ASP A 330 -4.430 21.463 -3.140 1.00 15.00 A O +ATOM 3755 C ASP A 330 -6.946 22.755 -7.106 1.00 15.00 A C +ATOM 3756 O ASP A 330 -8.162 22.784 -6.910 1.00 15.00 A O +ATOM 3757 N ARG A 331 -6.345 23.604 -7.945 1.00 15.00 A N +ATOM 3758 HN ARG A 331 -5.376 23.539 -8.087 1.00 15.00 A H +ATOM 3759 CA ARG A 331 -7.119 24.630 -8.664 1.00 15.00 A C +ATOM 3760 HA ARG A 331 -7.895 24.970 -7.998 1.00 15.00 A H +ATOM 3761 CB ARG A 331 -6.231 25.832 -9.038 1.00 15.00 A C +ATOM 3762 HB1 ARG A 331 -5.889 25.704 -10.056 1.00 15.00 A H +ATOM 3763 HB2 ARG A 331 -5.374 25.852 -8.381 1.00 15.00 A H +ATOM 3764 CG ARG A 331 -6.937 27.185 -8.945 1.00 15.00 A C +ATOM 3765 HG1 ARG A 331 -7.385 27.281 -7.969 1.00 15.00 A H +ATOM 3766 HG2 ARG A 331 -7.707 27.233 -9.703 1.00 15.00 A H +ATOM 3767 CD ARG A 331 -5.962 28.340 -9.161 1.00 15.00 A C +ATOM 3768 HD1 ARG A 331 -5.605 28.306 -10.178 1.00 15.00 A H +ATOM 3769 HD2 ARG A 331 -5.132 28.219 -8.484 1.00 15.00 A H +ATOM 3770 NE ARG A 331 -6.579 29.649 -8.924 1.00 15.00 A N +ATOM 3771 HE ARG A 331 -7.405 29.671 -8.400 1.00 15.00 A H +ATOM 3772 CZ ARG A 331 -6.076 30.800 -9.373 1.00 15.00 A C +ATOM 3773 NH1 ARG A 331 -4.968 30.806 -10.098 1.00 15.00 A N +ATOM 3774 HH11 ARG A 331 -4.479 29.914 -10.311 1.00 15.00 A H +ATOM 3775 HH12 ARG A 331 -4.579 31.706 -10.449 1.00 15.00 A H +ATOM 3776 NH2 ARG A 331 -6.685 31.946 -9.100 1.00 15.00 A N +ATOM 3777 HH21 ARG A 331 -7.551 31.951 -8.526 1.00 15.00 A H +ATOM 3778 HH22 ARG A 331 -6.292 32.842 -9.457 1.00 15.00 A H +ATOM 3779 C ARG A 331 -7.780 24.065 -9.931 1.00 15.00 A C +ATOM 3780 O ARG A 331 -8.933 24.384 -10.222 1.00 15.00 A O +ATOM 3781 N SER A 332 -7.055 23.222 -10.678 1.00 15.00 A N +ATOM 3782 HN SER A 332 -6.147 22.991 -10.396 1.00 15.00 A H +ATOM 3783 CA SER A 332 -7.588 22.645 -11.922 1.00 15.00 A C +ATOM 3784 HA SER A 332 -8.576 23.055 -12.070 1.00 15.00 A H +ATOM 3785 CB SER A 332 -6.710 23.062 -13.110 1.00 15.00 A C +ATOM 3786 HB1 SER A 332 -6.991 24.054 -13.429 1.00 15.00 A H +ATOM 3787 HB2 SER A 332 -6.856 22.369 -13.927 1.00 15.00 A H +ATOM 3788 OG SER A 332 -5.338 23.067 -12.762 1.00 15.00 A O +ATOM 3789 HG SER A 332 -4.924 22.255 -13.070 1.00 15.00 A H +ATOM 3790 C SER A 332 -7.710 21.111 -11.869 1.00 15.00 A C +ATOM 3791 O SER A 332 -7.437 20.427 -12.856 1.00 15.00 A O +ATOM 3792 N SER A 333 -8.135 20.583 -10.725 1.00 15.00 A N +ATOM 3793 HN SER A 333 -8.320 21.173 -9.968 1.00 15.00 A H +ATOM 3794 CA SER A 333 -8.318 19.135 -10.560 1.00 15.00 A C +ATOM 3795 HA SER A 333 -7.987 18.650 -11.465 1.00 15.00 A H +ATOM 3796 CB SER A 333 -7.485 18.624 -9.385 1.00 15.00 A C +ATOM 3797 HB1 SER A 333 -6.442 18.833 -9.573 1.00 15.00 A H +ATOM 3798 HB2 SER A 333 -7.626 17.558 -9.282 1.00 15.00 A H +ATOM 3799 OG SER A 333 -7.869 19.260 -8.175 1.00 15.00 A O +ATOM 3800 HG SER A 333 -8.628 19.825 -8.336 1.00 15.00 A H +ATOM 3801 C SER A 333 -9.793 18.807 -10.337 1.00 15.00 A C +ATOM 3802 O SER A 333 -10.481 19.520 -9.617 1.00 15.00 A O +ATOM 3803 N ASN A 334 -10.282 17.725 -10.943 1.00 15.00 A N +ATOM 3804 HN ASN A 334 -9.691 17.169 -11.499 1.00 15.00 A H +ATOM 3805 CA ASN A 334 -11.693 17.361 -10.795 1.00 15.00 A C +ATOM 3806 HA ASN A 334 -12.068 17.901 -9.943 1.00 15.00 A H +ATOM 3807 CB ASN A 334 -12.491 17.801 -12.032 1.00 15.00 A C +ATOM 3808 HB1 ASN A 334 -13.530 17.543 -11.889 1.00 15.00 A H +ATOM 3809 HB2 ASN A 334 -12.113 17.282 -12.899 1.00 15.00 A H +ATOM 3810 CG ASN A 334 -12.398 19.294 -12.288 1.00 15.00 A C +ATOM 3811 OD1 ASN A 334 -11.531 19.756 -13.033 1.00 15.00 A O +ATOM 3812 ND2 ASN A 334 -13.289 20.061 -11.672 1.00 15.00 A N +ATOM 3813 HD21 ASN A 334 -13.953 19.629 -11.095 1.00 15.00 A H +ATOM 3814 HD22 ASN A 334 -13.245 21.029 -11.818 1.00 15.00 A H +ATOM 3815 C ASN A 334 -11.916 15.865 -10.547 1.00 15.00 A C +ATOM 3816 O ASN A 334 -11.001 15.049 -10.659 1.00 15.00 A O +ATOM 3817 N SER A 335 -13.158 15.541 -10.176 1.00 15.00 A N +ATOM 3818 HN SER A 335 -13.812 16.262 -10.065 1.00 15.00 A H +ATOM 3819 CA SER A 335 -13.593 14.169 -9.914 1.00 15.00 A C +ATOM 3820 HA SER A 335 -13.283 13.556 -10.747 1.00 15.00 A H +ATOM 3821 CB SER A 335 -12.973 13.624 -8.624 1.00 15.00 A C +ATOM 3822 HB1 SER A 335 -13.344 14.188 -7.781 1.00 15.00 A H +ATOM 3823 HB2 SER A 335 -11.898 13.713 -8.677 1.00 15.00 A H +ATOM 3824 OG SER A 335 -13.307 12.260 -8.444 1.00 15.00 A O +ATOM 3825 HG SER A 335 -14.253 12.147 -8.552 1.00 15.00 A H +ATOM 3826 C SER A 335 -15.116 14.138 -9.818 1.00 15.00 A C +ATOM 3827 O SER A 335 -15.711 14.938 -9.096 1.00 15.00 A O +ATOM 3828 N ASN A 336 -15.754 13.217 -10.540 1.00 15.00 A N +ATOM 3829 HN ASN A 336 -15.240 12.581 -11.082 1.00 15.00 A H +ATOM 3830 CA ASN A 336 -17.213 13.146 -10.535 1.00 15.00 A C +ATOM 3831 HA ASN A 336 -17.565 13.989 -9.958 1.00 15.00 A H +ATOM 3832 CB ASN A 336 -17.758 13.288 -11.962 1.00 15.00 A C +ATOM 3833 HB1 ASN A 336 -17.302 14.153 -12.424 1.00 15.00 A H +ATOM 3834 HB2 ASN A 336 -18.826 13.439 -11.914 1.00 15.00 A H +ATOM 3835 CG ASN A 336 -17.488 12.081 -12.841 1.00 15.00 A C +ATOM 3836 OD1 ASN A 336 -16.511 11.355 -12.654 1.00 15.00 A O +ATOM 3837 ND2 ASN A 336 -18.356 11.868 -13.820 1.00 15.00 A N +ATOM 3838 HD21 ASN A 336 -19.105 12.494 -13.918 1.00 15.00 A H +ATOM 3839 HD22 ASN A 336 -18.216 11.094 -14.404 1.00 15.00 A H +ATOM 3840 C ASN A 336 -17.737 11.872 -9.868 1.00 15.00 A C +ATOM 3841 O ASN A 336 -18.913 11.534 -10.012 1.00 15.00 A O +ATOM 3842 N CYS A 337 -16.846 11.174 -9.147 1.00 15.00 A N +ATOM 3843 HN CYS A 337 -15.921 11.492 -9.118 1.00 15.00 A H +ATOM 3844 CA CYS A 337 -17.193 9.951 -8.396 1.00 15.00 A C +ATOM 3845 HA CYS A 337 -16.352 9.707 -7.772 1.00 15.00 A H +ATOM 3846 HB1 CYS A 337 -18.432 9.432 -6.725 1.00 15.00 A H +ATOM 3847 HB2 CYS A 337 -19.307 10.123 -8.087 1.00 15.00 A H +ATOM 3848 C CYS A 337 -17.504 8.743 -9.282 1.00 15.00 A C +ATOM 3849 O CYS A 337 -17.783 7.666 -8.762 1.00 15.00 A O +ATOM 3850 CB CYS A 337 -18.409 10.194 -7.491 1.00 15.00 A C +ATOM 3851 SG CYS A 337 -18.439 11.812 -6.661 1.00 15.00 A S +ATOM 3852 N ARG A 338 -17.459 8.900 -10.600 1.00 15.00 A N +ATOM 3853 HN ARG A 338 -17.196 9.763 -10.982 1.00 15.00 A H +ATOM 3854 CA ARG A 338 -17.808 7.787 -11.478 1.00 15.00 A C +ATOM 3855 HA ARG A 338 -17.983 6.927 -10.847 1.00 15.00 A H +ATOM 3856 CB ARG A 338 -19.111 8.098 -12.218 1.00 15.00 A C +ATOM 3857 HB1 ARG A 338 -19.282 7.340 -12.969 1.00 15.00 A H +ATOM 3858 HB2 ARG A 338 -19.024 9.061 -12.698 1.00 15.00 A H +ATOM 3859 CG ARG A 338 -20.318 8.130 -11.296 1.00 15.00 A C +ATOM 3860 HG1 ARG A 338 -20.013 8.540 -10.344 1.00 15.00 A H +ATOM 3861 HG2 ARG A 338 -20.680 7.123 -11.155 1.00 15.00 A H +ATOM 3862 CD ARG A 338 -21.445 8.984 -11.858 1.00 15.00 A C +ATOM 3863 HD1 ARG A 338 -21.292 10.003 -11.539 1.00 15.00 A H +ATOM 3864 HD2 ARG A 338 -22.382 8.621 -11.460 1.00 15.00 A H +ATOM 3865 NE ARG A 338 -21.516 8.946 -13.318 1.00 15.00 A N +ATOM 3866 HE ARG A 338 -21.612 8.066 -13.747 1.00 15.00 A H +ATOM 3867 CZ ARG A 338 -21.465 10.032 -14.091 1.00 15.00 A C +ATOM 3868 NH1 ARG A 338 -21.324 11.239 -13.550 1.00 15.00 A N +ATOM 3869 HH11 ARG A 338 -21.243 11.344 -12.523 1.00 15.00 A H +ATOM 3870 HH12 ARG A 338 -21.294 12.079 -14.154 1.00 15.00 A H +ATOM 3871 NH2 ARG A 338 -21.544 9.913 -15.407 1.00 15.00 A N +ATOM 3872 HH21 ARG A 338 -21.502 10.761 -16.011 1.00 15.00 A H +ATOM 3873 HH22 ARG A 338 -21.651 8.970 -15.842 1.00 15.00 A H +ATOM 3874 C ARG A 338 -16.714 7.426 -12.476 1.00 15.00 A C +ATOM 3875 O ARG A 338 -16.342 6.261 -12.586 1.00 15.00 A O +ATOM 3876 N ASN A 339 -16.187 8.409 -13.199 1.00 15.00 A N +ATOM 3877 HN ASN A 339 -16.474 9.334 -13.045 1.00 15.00 A H +ATOM 3878 CA ASN A 339 -15.171 8.119 -14.211 1.00 15.00 A C +ATOM 3879 HA ASN A 339 -15.024 7.051 -14.236 1.00 15.00 A H +ATOM 3880 CB ASN A 339 -15.656 8.578 -15.592 1.00 15.00 A C +ATOM 3881 HB1 ASN A 339 -15.310 7.881 -16.338 1.00 15.00 A H +ATOM 3882 HB2 ASN A 339 -15.242 9.553 -15.800 1.00 15.00 A H +ATOM 3883 CG ASN A 339 -17.166 8.668 -15.688 1.00 15.00 A C +ATOM 3884 OD1 ASN A 339 -17.735 9.757 -15.675 1.00 15.00 A O +ATOM 3885 ND2 ASN A 339 -17.822 7.518 -15.769 1.00 15.00 A N +ATOM 3886 HD21 ASN A 339 -17.304 6.687 -15.763 1.00 15.00 A H +ATOM 3887 HD22 ASN A 339 -18.799 7.547 -15.833 1.00 15.00 A H +ATOM 3888 C ASN A 339 -13.839 8.791 -13.904 1.00 15.00 A C +ATOM 3889 O ASN A 339 -13.769 9.714 -13.091 1.00 15.00 A O +ATOM 3890 N PRO A 340 -12.752 8.303 -14.548 1.00 15.00 A N +ATOM 3891 CA PRO A 340 -11.424 8.888 -14.397 1.00 15.00 A C +ATOM 3892 HA PRO A 340 -11.076 8.839 -13.370 1.00 15.00 A H +ATOM 3893 CB PRO A 340 -10.536 8.030 -15.307 1.00 15.00 A C +ATOM 3894 HB1 PRO A 340 -9.996 7.304 -14.721 1.00 15.00 A H +ATOM 3895 HB2 PRO A 340 -9.844 8.663 -15.855 1.00 15.00 A H +ATOM 3896 CG PRO A 340 -11.472 7.339 -16.233 1.00 15.00 A C +ATOM 3897 HG1 PRO A 340 -11.064 6.382 -16.519 1.00 15.00 A H +ATOM 3898 HG2 PRO A 340 -11.645 7.955 -17.106 1.00 15.00 A H +ATOM 3899 CD PRO A 340 -12.741 7.146 -15.465 1.00 15.00 A C +ATOM 3900 HD1 PRO A 340 -12.715 6.219 -14.914 1.00 15.00 A H +ATOM 3901 HD2 PRO A 340 -13.590 7.170 -16.127 1.00 15.00 A H +ATOM 3902 C PRO A 340 -11.462 10.335 -14.871 1.00 15.00 A C +ATOM 3903 O PRO A 340 -12.080 10.634 -15.894 1.00 15.00 A O +ATOM 3904 N ASN A 341 -10.825 11.232 -14.133 1.00 15.00 A N +ATOM 3905 HN ASN A 341 -10.321 10.937 -13.345 1.00 15.00 A H +ATOM 3906 CA ASN A 341 -10.860 12.652 -14.476 1.00 15.00 A C +ATOM 3907 HA ASN A 341 -11.896 12.889 -14.668 1.00 15.00 A H +ATOM 3908 CB ASN A 341 -10.392 13.501 -13.293 1.00 15.00 A C +ATOM 3909 HB1 ASN A 341 -11.057 13.308 -12.456 1.00 15.00 A H +ATOM 3910 HB2 ASN A 341 -10.461 14.543 -13.555 1.00 15.00 A H +ATOM 3911 CG ASN A 341 -8.970 13.208 -12.836 1.00 15.00 A C +ATOM 3912 OD1 ASN A 341 -8.236 12.447 -13.466 1.00 15.00 A O +ATOM 3913 ND2 ASN A 341 -8.565 13.854 -11.751 1.00 15.00 A N +ATOM 3914 HD21 ASN A 341 -9.179 14.485 -11.335 1.00 15.00 A H +ATOM 3915 HD22 ASN A 341 -7.692 13.634 -11.386 1.00 15.00 A H +ATOM 3916 C ASN A 341 -10.067 12.978 -15.750 1.00 15.00 A C +ATOM 3917 O ASN A 341 -10.186 14.077 -16.285 1.00 15.00 A O +ATOM 3918 N ASN A 342 -9.271 12.012 -16.224 1.00 15.00 A N +ATOM 3919 HN ASN A 342 -9.225 11.160 -15.738 1.00 15.00 A H +ATOM 3920 CA ASN A 342 -8.458 12.171 -17.440 1.00 15.00 A C +ATOM 3921 HA ASN A 342 -7.951 11.231 -17.603 1.00 15.00 A H +ATOM 3922 CB ASN A 342 -9.342 12.453 -18.662 1.00 15.00 A C +ATOM 3923 HB1 ASN A 342 -9.055 13.398 -19.096 1.00 15.00 A H +ATOM 3924 HB2 ASN A 342 -10.376 12.502 -18.351 1.00 15.00 A H +ATOM 3925 CG ASN A 342 -9.208 11.375 -19.723 1.00 15.00 A C +ATOM 3926 OD1 ASN A 342 -8.234 11.352 -20.474 1.00 15.00 A O +ATOM 3927 ND2 ASN A 342 -10.190 10.484 -19.796 1.00 15.00 A N +ATOM 3928 HD21 ASN A 342 -10.940 10.567 -19.171 1.00 15.00 A H +ATOM 3929 HD22 ASN A 342 -10.124 9.782 -20.476 1.00 15.00 A H +ATOM 3930 C ASN A 342 -7.392 13.264 -17.289 1.00 15.00 A C +ATOM 3931 O ASN A 342 -6.758 13.662 -18.265 1.00 15.00 A O +ATOM 3932 N GLU A 343 -7.196 13.734 -16.061 1.00 15.00 A N +ATOM 3933 HN GLU A 343 -7.741 13.383 -15.327 1.00 15.00 A H +ATOM 3934 CA GLU A 343 -6.203 14.766 -15.769 1.00 15.00 A C +ATOM 3935 HA GLU A 343 -6.061 15.368 -16.653 1.00 15.00 A H +ATOM 3936 CB GLU A 343 -6.702 15.648 -14.631 1.00 15.00 A C +ATOM 3937 HB1 GLU A 343 -5.855 16.119 -14.154 1.00 15.00 A H +ATOM 3938 HB2 GLU A 343 -7.206 15.021 -13.909 1.00 15.00 A H +ATOM 3939 CG GLU A 343 -7.671 16.730 -15.065 1.00 15.00 A C +ATOM 3940 HG1 GLU A 343 -8.111 16.452 -16.011 1.00 15.00 A H +ATOM 3941 HG2 GLU A 343 -7.127 17.656 -15.176 1.00 15.00 A H +ATOM 3942 CD GLU A 343 -8.776 16.937 -14.051 1.00 15.00 A C +ATOM 3943 OE1 GLU A 343 -8.504 16.774 -12.845 1.00 15.00 A O +ATOM 3944 OE2 GLU A 343 -9.911 17.255 -14.461 1.00 15.00 A O +ATOM 3945 C GLU A 343 -4.880 14.128 -15.371 1.00 15.00 A C +ATOM 3946 O GLU A 343 -4.725 13.701 -14.230 1.00 15.00 A O +ATOM 3947 N ARG A 344 -3.925 14.084 -16.309 1.00 15.00 A N +ATOM 3948 HN ARG A 344 -4.099 14.480 -17.187 1.00 15.00 A H +ATOM 3949 CA ARG A 344 -2.618 13.463 -16.056 1.00 15.00 A C +ATOM 3950 HA ARG A 344 -2.110 13.357 -17.004 1.00 15.00 A H +ATOM 3951 CB ARG A 344 -1.762 14.330 -15.114 1.00 15.00 A C +ATOM 3952 HB1 ARG A 344 -0.804 13.851 -14.977 1.00 15.00 A H +ATOM 3953 HB2 ARG A 344 -2.259 14.397 -14.158 1.00 15.00 A H +ATOM 3954 CG ARG A 344 -1.514 15.747 -15.618 1.00 15.00 A C +ATOM 3955 HG1 ARG A 344 -2.459 16.265 -15.687 1.00 15.00 A H +ATOM 3956 HG2 ARG A 344 -1.053 15.699 -16.593 1.00 15.00 A H +ATOM 3957 CD ARG A 344 -0.594 16.519 -14.680 1.00 15.00 A C +ATOM 3958 HD1 ARG A 344 -0.821 16.237 -13.663 1.00 15.00 A H +ATOM 3959 HD2 ARG A 344 -0.777 17.577 -14.806 1.00 15.00 A H +ATOM 3960 NE ARG A 344 0.820 16.247 -14.940 1.00 15.00 A N +ATOM 3961 HE ARG A 344 1.049 15.825 -15.791 1.00 15.00 A H +ATOM 3962 CZ ARG A 344 1.802 16.548 -14.090 1.00 15.00 A C +ATOM 3963 NH1 ARG A 344 1.525 17.110 -12.925 1.00 15.00 A N +ATOM 3964 HH11 ARG A 344 2.294 17.345 -12.264 1.00 15.00 A H +ATOM 3965 HH12 ARG A 344 0.539 17.316 -12.667 1.00 15.00 A H +ATOM 3966 NH2 ARG A 344 3.062 16.281 -14.404 1.00 15.00 A N +ATOM 3967 HH21 ARG A 344 3.825 16.514 -13.733 1.00 15.00 A H +ATOM 3968 HH22 ARG A 344 3.293 15.845 -15.319 1.00 15.00 A H +ATOM 3969 C ARG A 344 -2.833 12.072 -15.452 1.00 15.00 A C +ATOM 3970 O ARG A 344 -2.266 11.734 -14.412 1.00 15.00 A O +ATOM 3971 N GLY A 345 -3.671 11.281 -16.122 1.00 15.00 A N +ATOM 3972 HN GLY A 345 -4.064 11.603 -16.962 1.00 15.00 A H +ATOM 3973 CA GLY A 345 -4.012 9.957 -15.637 1.00 15.00 A C +ATOM 3974 HA1 GLY A 345 -4.852 9.591 -16.210 1.00 15.00 A H +ATOM 3975 HA2 GLY A 345 -4.319 10.046 -14.605 1.00 15.00 A H +ATOM 3976 C GLY A 345 -2.894 8.934 -15.710 1.00 15.00 A C +ATOM 3977 O GLY A 345 -2.744 8.134 -14.786 1.00 15.00 A O +ATOM 3978 N THR A 346 -2.124 8.936 -16.805 1.00 15.00 A N +ATOM 3979 HN THR A 346 -2.301 9.589 -17.513 1.00 15.00 A H +ATOM 3980 CA THR A 346 -1.029 7.974 -16.972 1.00 15.00 A C +ATOM 3981 HA THR A 346 -1.472 6.993 -17.060 1.00 15.00 A H +ATOM 3982 CB THR A 346 -0.194 8.232 -18.245 1.00 15.00 A C +ATOM 3983 HB THR A 346 0.312 9.182 -18.145 1.00 15.00 A H +ATOM 3984 OG1 THR A 346 -1.041 8.268 -19.400 1.00 15.00 A O +ATOM 3985 HG1 THR A 346 -0.756 7.597 -20.025 1.00 15.00 A H +ATOM 3986 CG2 THR A 346 0.852 7.137 -18.417 1.00 15.00 A C +ATOM 3987 HG21 THR A 346 1.732 7.388 -17.844 1.00 15.00 A H +ATOM 3988 HG22 THR A 346 1.113 7.042 -19.460 1.00 15.00 A H +ATOM 3989 HG23 THR A 346 0.449 6.200 -18.060 1.00 15.00 A H +ATOM 3990 C THR A 346 -0.090 7.972 -15.767 1.00 15.00 A C +ATOM 3991 O THR A 346 0.254 9.031 -15.238 1.00 15.00 A O +ATOM 3992 N GLN A 347 0.301 6.760 -15.351 1.00 15.00 A N +ATOM 3993 HN GLN A 347 -0.034 5.974 -15.833 1.00 15.00 A H +ATOM 3994 CA GLN A 347 1.198 6.551 -14.211 1.00 15.00 A C +ATOM 3995 HA GLN A 347 1.509 5.518 -14.234 1.00 15.00 A H +ATOM 3996 CB GLN A 347 2.444 7.440 -14.303 1.00 15.00 A C +ATOM 3997 HB1 GLN A 347 2.914 7.476 -13.331 1.00 15.00 A H +ATOM 3998 HB2 GLN A 347 2.139 8.437 -14.584 1.00 15.00 A H +ATOM 3999 CG GLN A 347 3.474 6.967 -15.314 1.00 15.00 A C +ATOM 4000 HG1 GLN A 347 2.966 6.612 -16.198 1.00 15.00 A H +ATOM 4001 HG2 GLN A 347 4.043 6.158 -14.875 1.00 15.00 A H +ATOM 4002 CD GLN A 347 4.438 8.068 -15.710 1.00 15.00 A C +ATOM 4003 OE1 GLN A 347 4.855 8.875 -14.876 1.00 15.00 A O +ATOM 4004 NE2 GLN A 347 4.779 8.125 -16.992 1.00 15.00 A N +ATOM 4005 HE21 GLN A 347 4.397 7.463 -17.603 1.00 15.00 A H +ATOM 4006 HE22 GLN A 347 5.393 8.835 -17.273 1.00 15.00 A H +ATOM 4007 C GLN A 347 0.481 6.806 -12.892 1.00 15.00 A C +ATOM 4008 O GLN A 347 -0.706 7.133 -12.865 1.00 15.00 A O +ATOM 4009 N GLY A 348 1.213 6.646 -11.796 1.00 15.00 A N +ATOM 4010 HN GLY A 348 2.152 6.378 -11.878 1.00 15.00 A H +ATOM 4011 CA GLY A 348 0.633 6.863 -10.491 1.00 15.00 A C +ATOM 4012 HA1 GLY A 348 -0.254 6.255 -10.403 1.00 15.00 A H +ATOM 4013 HA2 GLY A 348 0.352 7.903 -10.404 1.00 15.00 A H +ATOM 4014 C GLY A 348 1.571 6.515 -9.354 1.00 15.00 A C +ATOM 4015 O GLY A 348 2.796 6.560 -9.492 1.00 15.00 A O +ATOM 4016 N VAL A 349 0.966 6.185 -8.225 1.00 15.00 A N +ATOM 4017 HN VAL A 349 -0.014 6.202 -8.203 1.00 15.00 A H +ATOM 4018 CA VAL A 349 1.677 5.802 -7.013 1.00 15.00 A C +ATOM 4019 HA VAL A 349 2.429 5.071 -7.273 1.00 15.00 A H +ATOM 4020 CB VAL A 349 2.370 7.017 -6.333 1.00 15.00 A C +ATOM 4021 HB VAL A 349 2.997 7.499 -7.068 1.00 15.00 A H +ATOM 4022 CG1 VAL A 349 1.356 8.039 -5.839 1.00 15.00 A C +ATOM 4023 HG11 VAL A 349 0.690 8.306 -6.644 1.00 15.00 A H +ATOM 4024 HG12 VAL A 349 1.876 8.922 -5.492 1.00 15.00 A H +ATOM 4025 HG13 VAL A 349 0.788 7.615 -5.024 1.00 15.00 A H +ATOM 4026 CG2 VAL A 349 3.257 6.563 -5.184 1.00 15.00 A C +ATOM 4027 HG21 VAL A 349 2.728 5.837 -4.585 1.00 15.00 A H +ATOM 4028 HG22 VAL A 349 3.514 7.416 -4.571 1.00 15.00 A H +ATOM 4029 HG23 VAL A 349 4.159 6.119 -5.577 1.00 15.00 A H +ATOM 4030 C VAL A 349 0.677 5.174 -6.052 1.00 15.00 A C +ATOM 4031 O VAL A 349 -0.473 5.597 -6.020 1.00 15.00 A O +ATOM 4032 N LYS A 350 1.085 4.158 -5.300 1.00 15.00 A N +ATOM 4033 HN LYS A 350 2.007 3.835 -5.377 1.00 15.00 A H +ATOM 4034 CA LYS A 350 0.171 3.525 -4.359 1.00 15.00 A C +ATOM 4035 HA LYS A 350 -0.718 3.255 -4.904 1.00 15.00 A H +ATOM 4036 CB LYS A 350 0.778 2.265 -3.748 1.00 15.00 A C +ATOM 4037 HB1 LYS A 350 1.685 2.530 -3.223 1.00 15.00 A H +ATOM 4038 HB2 LYS A 350 1.015 1.572 -4.542 1.00 15.00 A H +ATOM 4039 CG LYS A 350 -0.152 1.567 -2.772 1.00 15.00 A C +ATOM 4040 HG1 LYS A 350 -1.035 1.243 -3.303 1.00 15.00 A H +ATOM 4041 HG2 LYS A 350 -0.432 2.267 -1.997 1.00 15.00 A H +ATOM 4042 CD LYS A 350 0.509 0.363 -2.132 1.00 15.00 A C +ATOM 4043 HD1 LYS A 350 1.494 0.643 -1.789 1.00 15.00 A H +ATOM 4044 HD2 LYS A 350 0.591 -0.424 -2.867 1.00 15.00 A H +ATOM 4045 CE LYS A 350 -0.294 -0.155 -0.955 1.00 15.00 A C +ATOM 4046 HE1 LYS A 350 -0.503 0.668 -0.287 1.00 15.00 A H +ATOM 4047 HE2 LYS A 350 0.297 -0.894 -0.434 1.00 15.00 A H +ATOM 4048 NZ LYS A 350 -1.580 -0.773 -1.380 1.00 15.00 A N +ATOM 4049 HZ1 LYS A 350 -2.132 -1.063 -0.548 1.00 15.00 A H +ATOM 4050 HZ2 LYS A 350 -1.398 -1.612 -1.969 1.00 15.00 A H +ATOM 4051 HZ3 LYS A 350 -2.138 -0.091 -1.933 1.00 15.00 A H +ATOM 4052 C LYS A 350 -0.222 4.506 -3.258 1.00 15.00 A C +ATOM 4053 O LYS A 350 0.634 5.171 -2.670 1.00 15.00 A O +ATOM 4054 N GLY A 351 -1.519 4.599 -3.004 1.00 15.00 A N +ATOM 4055 HN GLY A 351 -2.149 4.044 -3.511 1.00 15.00 A H +ATOM 4056 CA GLY A 351 -2.017 5.502 -1.988 1.00 15.00 A C +ATOM 4057 HA1 GLY A 351 -2.264 6.446 -2.452 1.00 15.00 A H +ATOM 4058 HA2 GLY A 351 -1.241 5.665 -1.256 1.00 15.00 A H +ATOM 4059 C GLY A 351 -3.242 4.967 -1.286 1.00 15.00 A C +ATOM 4060 O GLY A 351 -3.769 3.914 -1.654 1.00 15.00 A O +ATOM 4061 N TRP A 352 -3.701 5.701 -0.283 1.00 15.00 A N +ATOM 4062 HN TRP A 352 -3.244 6.537 -0.058 1.00 15.00 A H +ATOM 4063 CA TRP A 352 -4.861 5.294 0.495 1.00 15.00 A C +ATOM 4064 HA TRP A 352 -5.361 4.497 -0.041 1.00 15.00 A H +ATOM 4065 CB TRP A 352 -4.412 4.771 1.863 1.00 15.00 A C +ATOM 4066 HB1 TRP A 352 -3.744 3.934 1.719 1.00 15.00 A H +ATOM 4067 HB2 TRP A 352 -5.276 4.445 2.417 1.00 15.00 A H +ATOM 4068 CG TRP A 352 -3.689 5.806 2.682 1.00 15.00 A C +ATOM 4069 CD1 TRP A 352 -2.357 6.120 2.611 1.00 15.00 A C +ATOM 4070 HD1 TRP A 352 -1.656 5.645 1.939 1.00 15.00 A H +ATOM 4071 CD2 TRP A 352 -4.250 6.666 3.682 1.00 15.00 A C +ATOM 4072 NE1 TRP A 352 -2.060 7.114 3.508 1.00 15.00 A N +ATOM 4073 HE1 TRP A 352 -1.178 7.511 3.646 1.00 15.00 A H +ATOM 4074 CE2 TRP A 352 -3.203 7.468 4.173 1.00 15.00 A C +ATOM 4075 CE3 TRP A 352 -5.531 6.841 4.215 1.00 15.00 A C +ATOM 4076 HE3 TRP A 352 -6.360 6.249 3.866 1.00 15.00 A H +ATOM 4077 CZ2 TRP A 352 -3.405 8.440 5.158 1.00 15.00 A C +ATOM 4078 HZ2 TRP A 352 -2.595 9.059 5.528 1.00 15.00 A H +ATOM 4079 CZ3 TRP A 352 -5.728 7.801 5.193 1.00 15.00 A C +ATOM 4080 HZ3 TRP A 352 -6.713 7.946 5.615 1.00 15.00 A H +ATOM 4081 CH2 TRP A 352 -4.668 8.586 5.660 1.00 15.00 A C +ATOM 4082 HH2 TRP A 352 -4.866 9.313 6.433 1.00 15.00 A H +ATOM 4083 C TRP A 352 -5.843 6.437 0.704 1.00 15.00 A C +ATOM 4084 O TRP A 352 -5.588 7.578 0.316 1.00 15.00 A O +ATOM 4085 N ALA A 353 -6.964 6.091 1.339 1.00 15.00 A N +ATOM 4086 HN ALA A 353 -7.076 5.152 1.594 1.00 15.00 A H +ATOM 4087 CA ALA A 353 -8.033 7.030 1.675 1.00 15.00 A C +ATOM 4088 HA ALA A 353 -7.650 7.714 2.417 1.00 15.00 A H +ATOM 4089 CB ALA A 353 -8.486 7.842 0.460 1.00 15.00 A C +ATOM 4090 HB1 ALA A 353 -8.961 8.752 0.794 1.00 15.00 A H +ATOM 4091 HB2 ALA A 353 -9.187 7.268 -0.125 1.00 15.00 A H +ATOM 4092 HB3 ALA A 353 -7.629 8.088 -0.149 1.00 15.00 A H +ATOM 4093 C ALA A 353 -9.205 6.263 2.277 1.00 15.00 A C +ATOM 4094 O ALA A 353 -9.556 5.182 1.802 1.00 15.00 A O +ATOM 4095 N PHE A 354 -9.807 6.811 3.327 1.00 15.00 A N +ATOM 4096 HN PHE A 354 -9.497 7.676 3.669 1.00 15.00 A H +ATOM 4097 CA PHE A 354 -10.939 6.144 3.958 1.00 15.00 A C +ATOM 4098 HA PHE A 354 -11.331 5.452 3.223 1.00 15.00 A H +ATOM 4099 CB PHE A 354 -10.493 5.329 5.190 1.00 15.00 A C +ATOM 4100 HB1 PHE A 354 -9.644 4.715 4.900 1.00 15.00 A H +ATOM 4101 HB2 PHE A 354 -11.309 4.687 5.491 1.00 15.00 A H +ATOM 4102 CG PHE A 354 -10.081 6.130 6.394 1.00 15.00 A C +ATOM 4103 CD1 PHE A 354 -8.750 6.457 6.605 1.00 15.00 A C +ATOM 4104 HD1 PHE A 354 -8.012 6.174 5.866 1.00 15.00 A H +ATOM 4105 CD2 PHE A 354 -11.017 6.522 7.339 1.00 15.00 A C +ATOM 4106 HD2 PHE A 354 -12.056 6.270 7.185 1.00 15.00 A H +ATOM 4107 CE1 PHE A 354 -8.362 7.165 7.725 1.00 15.00 A C +ATOM 4108 HE1 PHE A 354 -7.325 7.411 7.876 1.00 15.00 A H +ATOM 4109 CE2 PHE A 354 -10.639 7.239 8.458 1.00 15.00 A C +ATOM 4110 HE2 PHE A 354 -11.379 7.540 9.183 1.00 15.00 A H +ATOM 4111 CZ PHE A 354 -9.308 7.557 8.653 1.00 15.00 A C +ATOM 4112 HZ PHE A 354 -9.010 8.110 9.531 1.00 15.00 A H +ATOM 4113 C PHE A 354 -12.057 7.132 4.283 1.00 15.00 A C +ATOM 4114 O PHE A 354 -11.812 8.312 4.526 1.00 15.00 A O +ATOM 4115 N ASP A 355 -13.288 6.630 4.283 1.00 15.00 A N +ATOM 4116 HN ASP A 355 -13.411 5.669 4.124 1.00 15.00 A H +ATOM 4117 CA ASP A 355 -14.462 7.467 4.516 1.00 15.00 A C +ATOM 4118 HA ASP A 355 -14.235 8.452 4.140 1.00 15.00 A H +ATOM 4119 CB ASP A 355 -15.654 6.915 3.727 1.00 15.00 A C +ATOM 4120 HB1 ASP A 355 -15.351 6.734 2.705 1.00 15.00 A H +ATOM 4121 HB2 ASP A 355 -16.451 7.644 3.735 1.00 15.00 A H +ATOM 4122 CG ASP A 355 -16.193 5.618 4.304 1.00 15.00 A C +ATOM 4123 OD1 ASP A 355 -15.562 4.562 4.085 1.00 15.00 A O +ATOM 4124 OD2 ASP A 355 -17.248 5.658 4.972 1.00 15.00 A O +ATOM 4125 C ASP A 355 -14.846 7.590 5.995 1.00 15.00 A C +ATOM 4126 O ASP A 355 -14.552 6.719 6.816 1.00 15.00 A O +ATOM 4127 N ASN A 356 -15.520 8.702 6.297 1.00 15.00 A N +ATOM 4128 HN ASN A 356 -15.689 9.347 5.577 1.00 15.00 A H +ATOM 4129 CA ASN A 356 -16.018 9.014 7.635 1.00 15.00 A C +ATOM 4130 HA ASN A 356 -16.217 8.086 8.150 1.00 15.00 A H +ATOM 4131 CB ASN A 356 -14.989 9.835 8.421 1.00 15.00 A C +ATOM 4132 HB1 ASN A 356 -14.795 10.758 7.890 1.00 15.00 A H +ATOM 4133 HB2 ASN A 356 -14.071 9.272 8.494 1.00 15.00 A H +ATOM 4134 CG ASN A 356 -15.453 10.181 9.827 1.00 15.00 A C +ATOM 4135 OD1 ASN A 356 -15.309 11.319 10.273 1.00 15.00 A O +ATOM 4136 ND2 ASN A 356 -16.000 9.199 10.537 1.00 15.00 A N +ATOM 4137 HD21 ASN A 356 -16.076 8.315 10.123 1.00 15.00 A H +ATOM 4138 HD22 ASN A 356 -16.301 9.399 11.449 1.00 15.00 A H +ATOM 4139 C ASN A 356 -17.319 9.797 7.478 1.00 15.00 A C +ATOM 4140 O ASN A 356 -17.339 11.026 7.581 1.00 15.00 A O +ATOM 4141 N GLY A 357 -18.408 9.077 7.213 1.00 15.00 A N +ATOM 4142 HN GLY A 357 -18.342 8.098 7.177 1.00 15.00 A H +ATOM 4143 CA GLY A 357 -19.685 9.727 6.976 1.00 15.00 A C +ATOM 4144 HA1 GLY A 357 -19.786 10.573 7.641 1.00 15.00 A H +ATOM 4145 HA2 GLY A 357 -20.486 9.024 7.156 1.00 15.00 A H +ATOM 4146 C GLY A 357 -19.742 10.211 5.543 1.00 15.00 A C +ATOM 4147 O GLY A 357 -19.802 9.402 4.617 1.00 15.00 A O +ATOM 4148 N ASN A 358 -19.721 11.525 5.354 1.00 15.00 A N +ATOM 4149 HN ASN A 358 -19.729 12.123 6.130 1.00 15.00 A H +ATOM 4150 CA ASN A 358 -19.700 12.096 4.013 1.00 15.00 A C +ATOM 4151 HA ASN A 358 -19.853 11.291 3.307 1.00 15.00 A H +ATOM 4152 CB ASN A 358 -20.791 13.160 3.815 1.00 15.00 A C +ATOM 4153 HB1 ASN A 358 -20.653 13.624 2.847 1.00 15.00 A H +ATOM 4154 HB2 ASN A 358 -20.696 13.914 4.582 1.00 15.00 A H +ATOM 4155 CG ASN A 358 -22.201 12.602 3.877 1.00 15.00 A C +ATOM 4156 OD1 ASN A 358 -22.774 12.211 2.862 1.00 15.00 A O +ATOM 4157 ND2 ASN A 358 -22.768 12.574 5.072 1.00 15.00 A N +ATOM 4158 HD21 ASN A 358 -22.250 12.905 5.834 1.00 15.00 A H +ATOM 4159 HD22 ASN A 358 -23.681 12.227 5.145 1.00 15.00 A H +ATOM 4160 C ASN A 358 -18.327 12.718 3.762 1.00 15.00 A C +ATOM 4161 O ASN A 358 -18.047 13.204 2.672 1.00 15.00 A O +ATOM 4162 N ASP A 359 -17.472 12.678 4.791 1.00 15.00 A N +ATOM 4163 HN ASP A 359 -17.756 12.249 5.626 1.00 15.00 A H +ATOM 4164 CA ASP A 359 -16.122 13.247 4.713 1.00 15.00 A C +ATOM 4165 HA ASP A 359 -16.144 14.049 3.991 1.00 15.00 A H +ATOM 4166 CB ASP A 359 -15.704 13.812 6.075 1.00 15.00 A C +ATOM 4167 HB1 ASP A 359 -14.754 14.315 5.972 1.00 15.00 A H +ATOM 4168 HB2 ASP A 359 -15.601 12.999 6.779 1.00 15.00 A H +ATOM 4169 CG ASP A 359 -16.712 14.798 6.633 1.00 15.00 A C +ATOM 4170 OD1 ASP A 359 -16.928 15.850 5.999 1.00 15.00 A O +ATOM 4171 OD2 ASP A 359 -17.278 14.518 7.712 1.00 15.00 A O +ATOM 4172 C ASP A 359 -15.109 12.201 4.257 1.00 15.00 A C +ATOM 4173 O ASP A 359 -15.410 11.008 4.220 1.00 15.00 A O +ATOM 4174 N LEU A 360 -13.895 12.647 3.927 1.00 15.00 A N +ATOM 4175 HN LEU A 360 -13.700 13.604 3.992 1.00 15.00 A H +ATOM 4176 CA LEU A 360 -12.857 11.732 3.458 1.00 15.00 A C +ATOM 4177 HA LEU A 360 -13.138 10.733 3.753 1.00 15.00 A H +ATOM 4178 CB LEU A 360 -12.758 11.786 1.933 1.00 15.00 A C +ATOM 4179 HB1 LEU A 360 -12.522 12.802 1.645 1.00 15.00 A H +ATOM 4180 HB2 LEU A 360 -13.720 11.527 1.520 1.00 15.00 A H +ATOM 4181 CG LEU A 360 -11.701 10.859 1.321 1.00 15.00 A C +ATOM 4182 HG LEU A 360 -10.938 10.658 2.060 1.00 15.00 A H +ATOM 4183 CD1 LEU A 360 -12.326 9.535 0.924 1.00 15.00 A C +ATOM 4184 HD11 LEU A 360 -12.970 9.188 1.717 1.00 15.00 A H +ATOM 4185 HD12 LEU A 360 -11.547 8.808 0.749 1.00 15.00 A H +ATOM 4186 HD13 LEU A 360 -12.904 9.668 0.023 1.00 15.00 A H +ATOM 4187 CD2 LEU A 360 -11.033 11.516 0.122 1.00 15.00 A C +ATOM 4188 HD21 LEU A 360 -10.421 12.340 0.458 1.00 15.00 A H +ATOM 4189 HD22 LEU A 360 -11.789 11.884 -0.554 1.00 15.00 A H +ATOM 4190 HD23 LEU A 360 -10.415 10.793 -0.388 1.00 15.00 A H +ATOM 4191 C LEU A 360 -11.473 12.047 4.031 1.00 15.00 A C +ATOM 4192 O LEU A 360 -10.959 13.152 3.869 1.00 15.00 A O +ATOM 4193 N TRP A 361 -10.885 11.062 4.708 1.00 15.00 A N +ATOM 4194 HN TRP A 361 -11.380 10.230 4.865 1.00 15.00 A H +ATOM 4195 CA TRP A 361 -9.529 11.191 5.237 1.00 15.00 A C +ATOM 4196 HA TRP A 361 -9.315 12.237 5.375 1.00 15.00 A H +ATOM 4197 CB TRP A 361 -9.351 10.440 6.557 1.00 15.00 A C +ATOM 4198 HB1 TRP A 361 -8.298 10.288 6.732 1.00 15.00 A H +ATOM 4199 HB2 TRP A 361 -9.837 9.481 6.473 1.00 15.00 A H +ATOM 4200 CG TRP A 361 -9.916 11.146 7.748 1.00 15.00 A C +ATOM 4201 CD1 TRP A 361 -11.097 10.873 8.376 1.00 15.00 A C +ATOM 4202 HD1 TRP A 361 -11.772 10.095 8.067 1.00 15.00 A H +ATOM 4203 CD2 TRP A 361 -9.317 12.237 8.468 1.00 15.00 A C +ATOM 4204 NE1 TRP A 361 -11.282 11.728 9.431 1.00 15.00 A N +ATOM 4205 HE1 TRP A 361 -12.054 11.730 10.036 1.00 15.00 A H +ATOM 4206 CE2 TRP A 361 -10.204 12.585 9.504 1.00 15.00 A C +ATOM 4207 CE3 TRP A 361 -8.135 12.964 8.323 1.00 15.00 A C +ATOM 4208 HE3 TRP A 361 -7.436 12.733 7.541 1.00 15.00 A H +ATOM 4209 CZ2 TRP A 361 -9.931 13.616 10.407 1.00 15.00 A C +ATOM 4210 HZ2 TRP A 361 -10.615 13.874 11.210 1.00 15.00 A H +ATOM 4211 CZ3 TRP A 361 -7.864 13.985 9.215 1.00 15.00 A C +ATOM 4212 HZ3 TRP A 361 -6.952 14.553 9.121 1.00 15.00 A H +ATOM 4213 CH2 TRP A 361 -8.764 14.308 10.241 1.00 15.00 A C +ATOM 4214 HH2 TRP A 361 -8.511 15.114 10.914 1.00 15.00 A H +ATOM 4215 C TRP A 361 -8.570 10.617 4.208 1.00 15.00 A C +ATOM 4216 O TRP A 361 -8.738 9.479 3.772 1.00 15.00 A O +ATOM 4217 N MET A 362 -7.558 11.378 3.823 1.00 15.00 A N +ATOM 4218 HN MET A 362 -7.418 12.256 4.235 1.00 15.00 A H +ATOM 4219 CA MET A 362 -6.644 10.899 2.799 1.00 15.00 A C +ATOM 4220 HA MET A 362 -6.602 9.826 2.867 1.00 15.00 A H +ATOM 4221 CB MET A 362 -7.199 11.278 1.428 1.00 15.00 A C +ATOM 4222 HB1 MET A 362 -8.067 10.670 1.221 1.00 15.00 A H +ATOM 4223 HB2 MET A 362 -6.446 11.080 0.677 1.00 15.00 A H +ATOM 4224 CG MET A 362 -7.606 12.741 1.332 1.00 15.00 A C +ATOM 4225 HG1 MET A 362 -6.791 13.349 1.696 1.00 15.00 A H +ATOM 4226 HG2 MET A 362 -8.475 12.898 1.955 1.00 15.00 A H +ATOM 4227 SD MET A 362 -8.000 13.251 -0.349 1.00 15.00 A S +ATOM 4228 CE MET A 362 -6.355 13.500 -1.006 1.00 15.00 A C +ATOM 4229 HE1 MET A 362 -5.822 12.561 -1.008 1.00 15.00 A H +ATOM 4230 HE2 MET A 362 -5.826 14.212 -0.389 1.00 15.00 A H +ATOM 4231 HE3 MET A 362 -6.424 13.879 -2.015 1.00 15.00 A H +ATOM 4232 C MET A 362 -5.234 11.446 2.941 1.00 15.00 A C +ATOM 4233 O MET A 362 -4.968 12.363 3.718 1.00 15.00 A O +ATOM 4234 N GLY A 363 -4.349 10.850 2.156 1.00 15.00 A N +ATOM 4235 HN GLY A 363 -4.650 10.109 1.589 1.00 15.00 A H +ATOM 4236 CA GLY A 363 -2.963 11.244 2.118 1.00 15.00 A C +ATOM 4237 HA1 GLY A 363 -2.384 10.568 2.728 1.00 15.00 A H +ATOM 4238 HA2 GLY A 363 -2.868 12.244 2.508 1.00 15.00 A H +ATOM 4239 C GLY A 363 -2.423 11.214 0.707 1.00 15.00 A C +ATOM 4240 O GLY A 363 -2.810 10.368 -0.101 1.00 15.00 A O +ATOM 4241 N ARG A 364 -1.528 12.138 0.415 1.00 15.00 A N +ATOM 4242 HN ARG A 364 -1.256 12.776 1.111 1.00 15.00 A H +ATOM 4243 CA ARG A 364 -0.928 12.233 -0.901 1.00 15.00 A C +ATOM 4244 HA ARG A 364 -0.808 11.235 -1.296 1.00 15.00 A H +ATOM 4245 CB ARG A 364 -1.831 13.046 -1.835 1.00 15.00 A C +ATOM 4246 HB1 ARG A 364 -2.655 12.424 -2.152 1.00 15.00 A H +ATOM 4247 HB2 ARG A 364 -1.258 13.341 -2.701 1.00 15.00 A H +ATOM 4248 CG ARG A 364 -2.403 14.302 -1.176 1.00 15.00 A C +ATOM 4249 HG1 ARG A 364 -1.819 14.535 -0.297 1.00 15.00 A H +ATOM 4250 HG2 ARG A 364 -3.429 14.108 -0.887 1.00 15.00 A H +ATOM 4251 CD ARG A 364 -2.373 15.494 -2.120 1.00 15.00 A C +ATOM 4252 HD1 ARG A 364 -2.038 15.166 -3.083 1.00 15.00 A H +ATOM 4253 HD2 ARG A 364 -1.681 16.216 -1.740 1.00 15.00 A H +ATOM 4254 NE ARG A 364 -3.682 16.126 -2.254 1.00 15.00 A N +ATOM 4255 HE ARG A 364 -4.474 15.548 -2.259 1.00 15.00 A H +ATOM 4256 CZ ARG A 364 -3.842 17.438 -2.400 1.00 15.00 A C +ATOM 4257 NH1 ARG A 364 -2.787 18.238 -2.391 1.00 15.00 A N +ATOM 4258 HH11 ARG A 364 -1.827 17.838 -2.284 1.00 15.00 A H +ATOM 4259 HH12 ARG A 364 -2.914 19.267 -2.498 1.00 15.00 A H +ATOM 4260 NH2 ARG A 364 -5.058 17.944 -2.532 1.00 15.00 A N +ATOM 4261 HH21 ARG A 364 -5.186 18.964 -2.655 1.00 15.00 A H +ATOM 4262 HH22 ARG A 364 -5.880 17.324 -2.518 1.00 15.00 A H +ATOM 4263 C ARG A 364 0.424 12.905 -0.816 1.00 15.00 A C +ATOM 4264 O ARG A 364 0.777 13.478 0.215 1.00 15.00 A O +ATOM 4265 N THR A 365 1.187 12.824 -1.895 1.00 15.00 A N +ATOM 4266 HN THR A 365 0.874 12.317 -2.673 1.00 15.00 A H +ATOM 4267 CA THR A 365 2.477 13.480 -1.939 1.00 15.00 A C +ATOM 4268 HA THR A 365 3.005 13.255 -1.023 1.00 15.00 A H +ATOM 4269 CB THR A 365 3.332 13.021 -3.141 1.00 15.00 A C +ATOM 4270 HB THR A 365 4.292 13.509 -3.087 1.00 15.00 A H +ATOM 4271 OG1 THR A 365 2.696 13.381 -4.369 1.00 15.00 A O +ATOM 4272 HG1 THR A 365 3.196 14.085 -4.795 1.00 15.00 A H +ATOM 4273 CG2 THR A 365 3.552 11.517 -3.121 1.00 15.00 A C +ATOM 4274 HG21 THR A 365 2.674 11.029 -2.717 1.00 15.00 A H +ATOM 4275 HG22 THR A 365 4.408 11.283 -2.508 1.00 15.00 A H +ATOM 4276 HG23 THR A 365 3.724 11.168 -4.129 1.00 15.00 A H +ATOM 4277 C THR A 365 2.243 14.980 -2.034 1.00 15.00 A C +ATOM 4278 O THR A 365 1.279 15.415 -2.661 1.00 15.00 A O +ATOM 4279 N ILE A 366 3.083 15.770 -1.390 1.00 15.00 A N +ATOM 4280 HN ILE A 366 3.821 15.382 -0.871 1.00 15.00 A H +ATOM 4281 CA ILE A 366 2.912 17.214 -1.441 1.00 15.00 A C +ATOM 4282 HA ILE A 366 1.886 17.424 -1.163 1.00 15.00 A H +ATOM 4283 CB ILE A 366 3.832 17.933 -0.435 1.00 15.00 A C +ATOM 4284 HB ILE A 366 4.839 17.576 -0.577 1.00 15.00 A H +ATOM 4285 CG1 ILE A 366 3.378 17.596 0.991 1.00 15.00 A C +ATOM 4286 HG11 ILE A 366 3.477 16.531 1.147 1.00 15.00 A H +ATOM 4287 HG12 ILE A 366 2.343 17.876 1.105 1.00 15.00 A H +ATOM 4288 CG2 ILE A 366 3.819 19.440 -0.665 1.00 15.00 A C +ATOM 4289 HG21 ILE A 366 4.160 19.942 0.227 1.00 15.00 A H +ATOM 4290 HG22 ILE A 366 2.816 19.762 -0.902 1.00 15.00 A H +ATOM 4291 HG23 ILE A 366 4.477 19.682 -1.488 1.00 15.00 A H +ATOM 4292 CD1 ILE A 366 4.162 18.299 2.076 1.00 15.00 A C +ATOM 4293 HD11 ILE A 366 3.999 17.796 3.018 1.00 15.00 A H +ATOM 4294 HD12 ILE A 366 3.826 19.323 2.153 1.00 15.00 A H +ATOM 4295 HD13 ILE A 366 5.212 18.280 1.833 1.00 15.00 A H +ATOM 4296 C ILE A 366 3.130 17.718 -2.869 1.00 15.00 A C +ATOM 4297 O ILE A 366 2.469 18.652 -3.316 1.00 15.00 A O +ATOM 4298 N SER A 367 4.038 17.060 -3.593 1.00 15.00 A N +ATOM 4299 HN SER A 367 4.539 16.322 -3.180 1.00 15.00 A H +ATOM 4300 CA SER A 367 4.309 17.414 -4.984 1.00 15.00 A C +ATOM 4301 HA SER A 367 4.238 18.487 -5.074 1.00 15.00 A H +ATOM 4302 CB SER A 367 5.713 16.960 -5.395 1.00 15.00 A C +ATOM 4303 HB1 SER A 367 5.736 15.882 -5.447 1.00 15.00 A H +ATOM 4304 HB2 SER A 367 6.426 17.297 -4.660 1.00 15.00 A H +ATOM 4305 OG SER A 367 6.079 17.488 -6.662 1.00 15.00 A O +ATOM 4306 HG SER A 367 5.634 16.999 -7.358 1.00 15.00 A H +ATOM 4307 C SER A 367 3.260 16.769 -5.888 1.00 15.00 A C +ATOM 4308 O SER A 367 2.760 15.689 -5.596 1.00 15.00 A O +ATOM 4309 N LYS A 368 2.930 17.431 -6.982 1.00 15.00 A N +ATOM 4310 HN LYS A 368 3.370 18.284 -7.178 1.00 15.00 A H +ATOM 4311 CA LYS A 368 1.926 16.915 -7.906 1.00 15.00 A C +ATOM 4312 HA LYS A 368 1.326 16.188 -7.379 1.00 15.00 A H +ATOM 4313 CB LYS A 368 1.026 18.054 -8.374 1.00 15.00 A C +ATOM 4314 HB1 LYS A 368 0.526 18.478 -7.515 1.00 15.00 A H +ATOM 4315 HB2 LYS A 368 0.287 17.660 -9.055 1.00 15.00 A H +ATOM 4316 CG LYS A 368 1.787 19.159 -9.077 1.00 15.00 A C +ATOM 4317 HG1 LYS A 368 2.322 18.737 -9.914 1.00 15.00 A H +ATOM 4318 HG2 LYS A 368 2.487 19.598 -8.382 1.00 15.00 A H +ATOM 4319 CD LYS A 368 0.854 20.236 -9.580 1.00 15.00 A C +ATOM 4320 HD1 LYS A 368 0.394 20.723 -8.734 1.00 15.00 A H +ATOM 4321 HD2 LYS A 368 0.091 19.775 -10.189 1.00 15.00 A H +ATOM 4322 CE LYS A 368 1.583 21.275 -10.413 1.00 15.00 A C +ATOM 4323 HE1 LYS A 368 2.329 21.751 -9.798 1.00 15.00 A H +ATOM 4324 HE2 LYS A 368 0.868 22.014 -10.746 1.00 15.00 A H +ATOM 4325 NZ LYS A 368 2.246 20.674 -11.607 1.00 15.00 A N +ATOM 4326 HZ1 LYS A 368 2.996 20.017 -11.307 1.00 15.00 A H +ATOM 4327 HZ2 LYS A 368 2.670 21.421 -12.194 1.00 15.00 A H +ATOM 4328 HZ3 LYS A 368 1.551 20.153 -12.179 1.00 15.00 A H +ATOM 4329 C LYS A 368 2.580 16.247 -9.109 1.00 15.00 A C +ATOM 4330 O LYS A 368 1.900 15.722 -9.984 1.00 15.00 A O +ATOM 4331 N ASP A 369 3.900 16.282 -9.149 1.00 15.00 A N +ATOM 4332 HN ASP A 369 4.390 16.722 -8.421 1.00 15.00 A H +ATOM 4333 CA ASP A 369 4.647 15.685 -10.243 1.00 15.00 A C +ATOM 4334 HA ASP A 369 3.942 15.255 -10.939 1.00 15.00 A H +ATOM 4335 CB ASP A 369 5.479 16.757 -10.963 1.00 15.00 A C +ATOM 4336 HB1 ASP A 369 5.848 16.354 -11.895 1.00 15.00 A H +ATOM 4337 HB2 ASP A 369 6.318 17.027 -10.340 1.00 15.00 A H +ATOM 4338 CG ASP A 369 4.689 18.018 -11.267 1.00 15.00 A C +ATOM 4339 OD1 ASP A 369 4.147 18.126 -12.385 1.00 15.00 A O +ATOM 4340 OD2 ASP A 369 4.620 18.904 -10.388 1.00 15.00 A O +ATOM 4341 C ASP A 369 5.563 14.590 -9.713 1.00 15.00 A C +ATOM 4342 O ASP A 369 5.602 13.479 -10.242 1.00 15.00 A O +ATOM 4343 N LEU A 370 6.282 14.916 -8.646 1.00 15.00 A N +ATOM 4344 HN LEU A 370 6.176 15.812 -8.261 1.00 15.00 A H +ATOM 4345 CA LEU A 370 7.231 13.991 -8.035 1.00 15.00 A C +ATOM 4346 HA LEU A 370 7.461 13.222 -8.753 1.00 15.00 A H +ATOM 4347 CB LEU A 370 8.518 14.743 -7.689 1.00 15.00 A C +ATOM 4348 HB1 LEU A 370 8.858 14.397 -6.724 1.00 15.00 A H +ATOM 4349 HB2 LEU A 370 8.281 15.793 -7.607 1.00 15.00 A H +ATOM 4350 CG LEU A 370 9.673 14.591 -8.680 1.00 15.00 A C +ATOM 4351 HG LEU A 370 10.244 13.711 -8.425 1.00 15.00 A H +ATOM 4352 CD1 LEU A 370 9.154 14.422 -10.101 1.00 15.00 A C +ATOM 4353 HD11 LEU A 370 8.247 14.996 -10.223 1.00 15.00 A H +ATOM 4354 HD12 LEU A 370 8.948 13.378 -10.286 1.00 15.00 A H +ATOM 4355 HD13 LEU A 370 9.898 14.773 -10.800 1.00 15.00 A H +ATOM 4356 CD2 LEU A 370 10.596 15.795 -8.588 1.00 15.00 A C +ATOM 4357 HD21 LEU A 370 10.130 16.644 -9.066 1.00 15.00 A H +ATOM 4358 HD22 LEU A 370 11.531 15.572 -9.082 1.00 15.00 A H +ATOM 4359 HD23 LEU A 370 10.783 16.025 -7.550 1.00 15.00 A H +ATOM 4360 C LEU A 370 6.687 13.349 -6.767 1.00 15.00 A C +ATOM 4361 O LEU A 370 5.679 13.786 -6.208 1.00 15.00 A O +ATOM 4362 N ARG A 371 7.374 12.297 -6.326 1.00 15.00 A N +ATOM 4363 HN ARG A 371 8.138 11.975 -6.852 1.00 15.00 A H +ATOM 4364 CA ARG A 371 7.021 11.600 -5.097 1.00 15.00 A C +ATOM 4365 HA ARG A 371 5.965 11.734 -4.922 1.00 15.00 A H +ATOM 4366 CB ARG A 371 7.338 10.101 -5.207 1.00 15.00 A C +ATOM 4367 HB1 ARG A 371 7.308 9.666 -4.220 1.00 15.00 A H +ATOM 4368 HB2 ARG A 371 8.331 9.986 -5.615 1.00 15.00 A H +ATOM 4369 CG ARG A 371 6.370 9.331 -6.095 1.00 15.00 A C +ATOM 4370 HG1 ARG A 371 6.189 9.903 -6.994 1.00 15.00 A H +ATOM 4371 HG2 ARG A 371 5.441 9.194 -5.560 1.00 15.00 A H +ATOM 4372 CD ARG A 371 6.925 7.965 -6.477 1.00 15.00 A C +ATOM 4373 HD1 ARG A 371 7.296 7.478 -5.588 1.00 15.00 A H +ATOM 4374 HD2 ARG A 371 7.737 8.105 -7.175 1.00 15.00 A H +ATOM 4375 NE ARG A 371 5.914 7.109 -7.099 1.00 15.00 A N +ATOM 4376 HE ARG A 371 5.026 7.493 -7.242 1.00 15.00 A H +ATOM 4377 CZ ARG A 371 6.132 5.849 -7.476 1.00 15.00 A C +ATOM 4378 NH1 ARG A 371 7.323 5.289 -7.300 1.00 15.00 A N +ATOM 4379 HH11 ARG A 371 7.488 4.305 -7.595 1.00 15.00 A H +ATOM 4380 HH12 ARG A 371 8.095 5.836 -6.866 1.00 15.00 A H +ATOM 4381 NH2 ARG A 371 5.148 5.144 -8.024 1.00 15.00 A N +ATOM 4382 HH21 ARG A 371 4.211 5.576 -8.156 1.00 15.00 A H +ATOM 4383 HH22 ARG A 371 5.314 4.160 -8.320 1.00 15.00 A H +ATOM 4384 C ARG A 371 7.808 12.220 -3.942 1.00 15.00 A C +ATOM 4385 O ARG A 371 8.675 11.577 -3.351 1.00 15.00 A O +ATOM 4386 N SER A 372 7.502 13.481 -3.641 1.00 15.00 A N +ATOM 4387 HN SER A 372 6.783 13.926 -4.137 1.00 15.00 A H +ATOM 4388 CA SER A 372 8.190 14.214 -2.586 1.00 15.00 A C +ATOM 4389 HA SER A 372 8.842 13.526 -2.068 1.00 15.00 A H +ATOM 4390 CB SER A 372 9.030 15.336 -3.199 1.00 15.00 A C +ATOM 4391 HB1 SER A 372 9.579 15.840 -2.419 1.00 15.00 A H +ATOM 4392 HB2 SER A 372 8.375 16.042 -3.692 1.00 15.00 A H +ATOM 4393 OG SER A 372 9.946 14.827 -4.149 1.00 15.00 A O +ATOM 4394 HG SER A 372 9.477 14.270 -4.776 1.00 15.00 A H +ATOM 4395 C SER A 372 7.201 14.802 -1.594 1.00 15.00 A C +ATOM 4396 O SER A 372 6.194 15.397 -1.988 1.00 15.00 A O +ATOM 4397 N GLY A 373 7.497 14.637 -0.308 1.00 15.00 A N +ATOM 4398 HN GLY A 373 8.326 14.174 -0.064 1.00 15.00 A H +ATOM 4399 CA GLY A 373 6.625 15.154 0.729 1.00 15.00 A C +ATOM 4400 HA1 GLY A 373 6.343 16.165 0.470 1.00 15.00 A H +ATOM 4401 HA2 GLY A 373 7.165 15.172 1.663 1.00 15.00 A H +ATOM 4402 C GLY A 373 5.371 14.328 0.909 1.00 15.00 A C +ATOM 4403 O GLY A 373 4.972 13.581 0.012 1.00 15.00 A O +ATOM 4404 N TYR A 374 4.744 14.457 2.068 1.00 15.00 A N +ATOM 4405 HN TYR A 374 5.107 15.062 2.747 1.00 15.00 A H +ATOM 4406 CA TYR A 374 3.524 13.726 2.346 1.00 15.00 A C +ATOM 4407 HA TYR A 374 3.009 13.591 1.408 1.00 15.00 A H +ATOM 4408 CB TYR A 374 3.813 12.349 2.938 1.00 15.00 A C +ATOM 4409 HB1 TYR A 374 3.951 12.435 4.003 1.00 15.00 A H +ATOM 4410 HB2 TYR A 374 4.710 11.940 2.489 1.00 15.00 A H +ATOM 4411 CG TYR A 374 2.680 11.389 2.694 1.00 15.00 A C +ATOM 4412 CD1 TYR A 374 2.619 10.654 1.518 1.00 15.00 A C +ATOM 4413 HD1 TYR A 374 3.414 10.756 0.791 1.00 15.00 A H +ATOM 4414 CD2 TYR A 374 1.661 11.235 3.621 1.00 15.00 A C +ATOM 4415 HD2 TYR A 374 1.702 11.796 4.540 1.00 15.00 A H +ATOM 4416 CE1 TYR A 374 1.567 9.790 1.274 1.00 15.00 A C +ATOM 4417 HE1 TYR A 374 1.526 9.235 0.346 1.00 15.00 A H +ATOM 4418 CE2 TYR A 374 0.612 10.374 3.388 1.00 15.00 A C +ATOM 4419 HE2 TYR A 374 -0.176 10.272 4.123 1.00 15.00 A H +ATOM 4420 CZ TYR A 374 0.571 9.652 2.215 1.00 15.00 A C +ATOM 4421 OH TYR A 374 -0.478 8.804 1.979 1.00 15.00 A O +ATOM 4422 HH TYR A 374 -0.159 7.903 1.911 1.00 15.00 A H +ATOM 4423 C TYR A 374 2.619 14.517 3.278 1.00 15.00 A C +ATOM 4424 O TYR A 374 3.061 15.031 4.306 1.00 15.00 A O +ATOM 4425 N GLU A 375 1.351 14.619 2.899 1.00 15.00 A N +ATOM 4426 HN GLU A 375 1.068 14.200 2.058 1.00 15.00 A H +ATOM 4427 CA GLU A 375 0.372 15.347 3.687 1.00 15.00 A C +ATOM 4428 HA GLU A 375 0.793 15.518 4.665 1.00 15.00 A H +ATOM 4429 CB GLU A 375 0.066 16.697 3.036 1.00 15.00 A C +ATOM 4430 HB1 GLU A 375 0.994 17.226 2.880 1.00 15.00 A H +ATOM 4431 HB2 GLU A 375 -0.561 17.274 3.705 1.00 15.00 A H +ATOM 4432 CG GLU A 375 -0.647 16.573 1.695 1.00 15.00 A C +ATOM 4433 HG1 GLU A 375 -1.627 16.151 1.863 1.00 15.00 A H +ATOM 4434 HG2 GLU A 375 -0.077 15.912 1.061 1.00 15.00 A H +ATOM 4435 CD GLU A 375 -0.808 17.901 0.985 1.00 15.00 A C +ATOM 4436 OE1 GLU A 375 -1.537 18.772 1.506 1.00 15.00 A O +ATOM 4437 OE2 GLU A 375 -0.209 18.069 -0.099 1.00 15.00 A O +ATOM 4438 C GLU A 375 -0.916 14.551 3.833 1.00 15.00 A C +ATOM 4439 O GLU A 375 -1.254 13.728 2.982 1.00 15.00 A O +ATOM 4440 N THR A 376 -1.619 14.797 4.930 1.00 15.00 A N +ATOM 4441 HN THR A 376 -1.274 15.449 5.574 1.00 15.00 A H +ATOM 4442 CA THR A 376 -2.885 14.133 5.216 1.00 15.00 A C +ATOM 4443 HA THR A 376 -3.216 13.627 4.321 1.00 15.00 A H +ATOM 4444 CB THR A 376 -2.763 13.101 6.356 1.00 15.00 A C +ATOM 4445 HB THR A 376 -3.725 12.628 6.487 1.00 15.00 A H +ATOM 4446 OG1 THR A 376 -2.397 13.756 7.578 1.00 15.00 A O +ATOM 4447 HG1 THR A 376 -3.092 14.368 7.834 1.00 15.00 A H +ATOM 4448 CG2 THR A 376 -1.738 12.027 6.032 1.00 15.00 A C +ATOM 4449 HG21 THR A 376 -1.657 11.349 6.869 1.00 15.00 A H +ATOM 4450 HG22 THR A 376 -0.781 12.488 5.846 1.00 15.00 A H +ATOM 4451 HG23 THR A 376 -2.055 11.479 5.156 1.00 15.00 A H +ATOM 4452 C THR A 376 -3.919 15.163 5.632 1.00 15.00 A C +ATOM 4453 O THR A 376 -3.593 16.099 6.355 1.00 15.00 A O +ATOM 4454 N PHE A 377 -5.157 15.010 5.182 1.00 15.00 A N +ATOM 4455 HN PHE A 377 -5.373 14.264 4.582 1.00 15.00 A H +ATOM 4456 CA PHE A 377 -6.199 15.961 5.558 1.00 15.00 A C +ATOM 4457 HA PHE A 377 -6.052 16.190 6.600 1.00 15.00 A H +ATOM 4458 CB PHE A 377 -6.065 17.260 4.755 1.00 15.00 A C +ATOM 4459 HB1 PHE A 377 -5.203 17.799 5.111 1.00 15.00 A H +ATOM 4460 HB2 PHE A 377 -6.943 17.863 4.912 1.00 15.00 A H +ATOM 4461 CG PHE A 377 -5.906 17.056 3.276 1.00 15.00 A C +ATOM 4462 CD1 PHE A 377 -6.979 16.652 2.498 1.00 15.00 A C +ATOM 4463 HD1 PHE A 377 -7.939 16.483 2.963 1.00 15.00 A H +ATOM 4464 CD2 PHE A 377 -4.681 17.268 2.663 1.00 15.00 A C +ATOM 4465 HD2 PHE A 377 -3.839 17.590 3.256 1.00 15.00 A H +ATOM 4466 CE1 PHE A 377 -6.834 16.465 1.139 1.00 15.00 A C +ATOM 4467 HE1 PHE A 377 -7.682 16.164 0.543 1.00 15.00 A H +ATOM 4468 CE2 PHE A 377 -4.531 17.082 1.302 1.00 15.00 A C +ATOM 4469 HE2 PHE A 377 -3.575 17.252 0.835 1.00 15.00 A H +ATOM 4470 CZ PHE A 377 -5.610 16.675 0.541 1.00 15.00 A C +ATOM 4471 HZ PHE A 377 -5.497 16.536 -0.527 1.00 15.00 A H +ATOM 4472 C PHE A 377 -7.598 15.387 5.400 1.00 15.00 A C +ATOM 4473 O PHE A 377 -7.795 14.319 4.818 1.00 15.00 A O +ATOM 4474 N LYS A 378 -8.564 16.125 5.931 1.00 15.00 A N +ATOM 4475 HN LYS A 378 -8.323 16.957 6.391 1.00 15.00 A H +ATOM 4476 CA LYS A 378 -9.965 15.743 5.867 1.00 15.00 A C +ATOM 4477 HA LYS A 378 -10.021 14.716 5.544 1.00 15.00 A H +ATOM 4478 CB LYS A 378 -10.608 15.867 7.250 1.00 15.00 A C +ATOM 4479 HB1 LYS A 378 -10.615 16.909 7.540 1.00 15.00 A H +ATOM 4480 HB2 LYS A 378 -10.019 15.307 7.963 1.00 15.00 A H +ATOM 4481 CG LYS A 378 -12.034 15.348 7.298 1.00 15.00 A C +ATOM 4482 HG1 LYS A 378 -12.016 14.307 7.590 1.00 15.00 A H +ATOM 4483 HG2 LYS A 378 -12.470 15.445 6.317 1.00 15.00 A H +ATOM 4484 CD LYS A 378 -12.879 16.127 8.292 1.00 15.00 A C +ATOM 4485 HD1 LYS A 378 -13.839 16.344 7.845 1.00 15.00 A H +ATOM 4486 HD2 LYS A 378 -12.375 17.049 8.531 1.00 15.00 A H +ATOM 4487 CE LYS A 378 -13.099 15.343 9.574 1.00 15.00 A C +ATOM 4488 HE1 LYS A 378 -13.186 16.039 10.396 1.00 15.00 A H +ATOM 4489 HE2 LYS A 378 -12.247 14.701 9.738 1.00 15.00 A H +ATOM 4490 NZ LYS A 378 -14.328 14.502 9.520 1.00 15.00 A N +ATOM 4491 HZ1 LYS A 378 -14.488 14.042 10.440 1.00 15.00 A H +ATOM 4492 HZ2 LYS A 378 -14.229 13.768 8.792 1.00 15.00 A H +ATOM 4493 HZ3 LYS A 378 -15.154 15.091 9.292 1.00 15.00 A H +ATOM 4494 C LYS A 378 -10.724 16.619 4.875 1.00 15.00 A C +ATOM 4495 O LYS A 378 -10.761 17.844 5.009 1.00 15.00 A O +ATOM 4496 N VAL A 379 -11.335 15.986 3.882 1.00 15.00 A N +ATOM 4497 HN VAL A 379 -11.267 15.011 3.821 1.00 15.00 A H +ATOM 4498 CA VAL A 379 -12.109 16.709 2.884 1.00 15.00 A C +ATOM 4499 HA VAL A 379 -11.794 17.742 2.902 1.00 15.00 A H +ATOM 4500 CB VAL A 379 -11.883 16.157 1.458 1.00 15.00 A C +ATOM 4501 HB VAL A 379 -12.280 15.152 1.411 1.00 15.00 A H +ATOM 4502 CG1 VAL A 379 -12.623 17.009 0.436 1.00 15.00 A C +ATOM 4503 HG11 VAL A 379 -12.153 17.980 0.369 1.00 15.00 A H +ATOM 4504 HG12 VAL A 379 -13.650 17.127 0.746 1.00 15.00 A H +ATOM 4505 HG13 VAL A 379 -12.590 16.528 -0.530 1.00 15.00 A H +ATOM 4506 CG2 VAL A 379 -10.398 16.097 1.132 1.00 15.00 A C +ATOM 4507 HG21 VAL A 379 -9.953 15.249 1.628 1.00 15.00 A H +ATOM 4508 HG22 VAL A 379 -9.919 17.004 1.474 1.00 15.00 A H +ATOM 4509 HG23 VAL A 379 -10.265 16.002 0.064 1.00 15.00 A H +ATOM 4510 C VAL A 379 -13.597 16.641 3.223 1.00 15.00 A C +ATOM 4511 O VAL A 379 -14.210 15.580 3.131 1.00 15.00 A O +ATOM 4512 N ILE A 380 -14.156 17.776 3.647 1.00 15.00 A N +ATOM 4513 HN ILE A 380 -13.591 18.571 3.741 1.00 15.00 A H +ATOM 4514 CA ILE A 380 -15.577 17.870 4.000 1.00 15.00 A C +ATOM 4515 HA ILE A 380 -15.788 17.122 4.752 1.00 15.00 A H +ATOM 4516 CB ILE A 380 -15.920 19.259 4.584 1.00 15.00 A C +ATOM 4517 HB ILE A 380 -16.009 19.958 3.764 1.00 15.00 A H +ATOM 4518 CG1 ILE A 380 -14.808 19.729 5.526 1.00 15.00 A C +ATOM 4519 HG11 ILE A 380 -13.860 19.650 5.018 1.00 15.00 A H +ATOM 4520 HG12 ILE A 380 -14.798 19.098 6.401 1.00 15.00 A H +ATOM 4521 CG2 ILE A 380 -17.258 19.212 5.312 1.00 15.00 A C +ATOM 4522 HG21 ILE A 380 -17.133 18.723 6.267 1.00 15.00 A H +ATOM 4523 HG22 ILE A 380 -17.973 18.665 4.717 1.00 15.00 A H +ATOM 4524 HG23 ILE A 380 -17.617 20.219 5.469 1.00 15.00 A H +ATOM 4525 CD1 ILE A 380 -14.963 21.158 5.994 1.00 15.00 A C +ATOM 4526 HD11 ILE A 380 -14.067 21.463 6.512 1.00 15.00 A H +ATOM 4527 HD12 ILE A 380 -15.807 21.226 6.664 1.00 15.00 A H +ATOM 4528 HD13 ILE A 380 -15.125 21.801 5.141 1.00 15.00 A H +ATOM 4529 C ILE A 380 -16.459 17.612 2.781 1.00 15.00 A C +ATOM 4530 O ILE A 380 -16.520 18.430 1.863 1.00 15.00 A O +ATOM 4531 N GLY A 381 -17.150 16.472 2.788 1.00 15.00 A N +ATOM 4532 HN GLY A 381 -17.080 15.873 3.560 1.00 15.00 A H +ATOM 4533 CA GLY A 381 -17.999 16.106 1.667 1.00 15.00 A C +ATOM 4534 HA1 GLY A 381 -18.402 17.006 1.219 1.00 15.00 A H +ATOM 4535 HA2 GLY A 381 -18.811 15.493 2.022 1.00 15.00 A H +ATOM 4536 C GLY A 381 -17.215 15.344 0.616 1.00 15.00 A C +ATOM 4537 O GLY A 381 -17.755 14.955 -0.418 1.00 15.00 A O +ATOM 4538 N GLY A 382 -15.935 15.119 0.920 1.00 15.00 A N +ATOM 4539 HN GLY A 382 -15.604 15.435 1.788 1.00 15.00 A H +ATOM 4540 CA GLY A 382 -15.015 14.431 0.026 1.00 15.00 A C +ATOM 4541 HA1 GLY A 382 -14.054 14.368 0.519 1.00 15.00 A H +ATOM 4542 HA2 GLY A 382 -14.896 15.018 -0.871 1.00 15.00 A H +ATOM 4543 C GLY A 382 -15.437 13.029 -0.366 1.00 15.00 A C +ATOM 4544 O GLY A 382 -14.975 12.506 -1.381 1.00 15.00 A O +ATOM 4545 N TRP A 383 -16.304 12.408 0.412 1.00 15.00 A N +ATOM 4546 HN TRP A 383 -16.662 12.862 1.204 1.00 15.00 A H +ATOM 4547 CA TRP A 383 -16.728 11.052 0.104 1.00 15.00 A C +ATOM 4548 HA TRP A 383 -15.961 10.608 -0.515 1.00 15.00 A H +ATOM 4549 CB TRP A 383 -16.848 10.209 1.378 1.00 15.00 A C +ATOM 4550 HB1 TRP A 383 -17.548 10.673 2.057 1.00 15.00 A H +ATOM 4551 HB2 TRP A 383 -15.878 10.139 1.857 1.00 15.00 A H +ATOM 4552 CG TRP A 383 -17.334 8.824 1.083 1.00 15.00 A C +ATOM 4553 CD1 TRP A 383 -18.544 8.276 1.408 1.00 15.00 A C +ATOM 4554 HD1 TRP A 383 -19.325 8.803 1.939 1.00 15.00 A H +ATOM 4555 CD2 TRP A 383 -16.611 7.813 0.386 1.00 15.00 A C +ATOM 4556 NE1 TRP A 383 -18.625 6.993 0.923 1.00 15.00 A N +ATOM 4557 HE1 TRP A 383 -19.393 6.398 1.015 1.00 15.00 A H +ATOM 4558 CE2 TRP A 383 -17.441 6.682 0.302 1.00 15.00 A C +ATOM 4559 CE3 TRP A 383 -15.335 7.756 -0.179 1.00 15.00 A C +ATOM 4560 HE3 TRP A 383 -14.665 8.607 -0.135 1.00 15.00 A H +ATOM 4561 CZ2 TRP A 383 -17.035 5.509 -0.332 1.00 15.00 A C +ATOM 4562 HZ2 TRP A 383 -17.678 4.648 -0.400 1.00 15.00 A H +ATOM 4563 CZ3 TRP A 383 -14.930 6.592 -0.802 1.00 15.00 A C +ATOM 4564 HZ3 TRP A 383 -13.942 6.528 -1.231 1.00 15.00 A H +ATOM 4565 CH2 TRP A 383 -15.776 5.479 -0.875 1.00 15.00 A C +ATOM 4566 HH2 TRP A 383 -15.422 4.594 -1.379 1.00 15.00 A H +ATOM 4567 C TRP A 383 -18.053 10.984 -0.662 1.00 15.00 A C +ATOM 4568 O TRP A 383 -18.253 10.064 -1.463 1.00 15.00 A O +ATOM 4569 N SER A 384 -18.946 11.942 -0.457 1.00 15.00 A N +ATOM 4570 HN SER A 384 -18.726 12.704 0.115 1.00 15.00 A H +ATOM 4571 CA SER A 384 -20.259 11.857 -1.097 1.00 15.00 A C +ATOM 4572 HA SER A 384 -20.289 10.912 -1.620 1.00 15.00 A H +ATOM 4573 CB SER A 384 -21.336 11.818 -0.012 1.00 15.00 A C +ATOM 4574 HB1 SER A 384 -22.308 11.721 -0.472 1.00 15.00 A H +ATOM 4575 HB2 SER A 384 -21.297 12.728 0.564 1.00 15.00 A H +ATOM 4576 OG SER A 384 -21.136 10.716 0.865 1.00 15.00 A O +ATOM 4577 HG SER A 384 -21.978 10.285 1.040 1.00 15.00 A H +ATOM 4578 C SER A 384 -20.575 12.968 -2.114 1.00 15.00 A C +ATOM 4579 O SER A 384 -21.370 12.738 -3.026 1.00 15.00 A O +ATOM 4580 N THR A 385 -19.978 14.160 -1.986 1.00 15.00 A N +ATOM 4581 HN THR A 385 -19.328 14.304 -1.267 1.00 15.00 A H +ATOM 4582 CA THR A 385 -20.295 15.253 -2.922 1.00 15.00 A C +ATOM 4583 HA THR A 385 -21.234 14.998 -3.384 1.00 15.00 A H +ATOM 4584 CB THR A 385 -20.503 16.609 -2.191 1.00 15.00 A C +ATOM 4585 HB THR A 385 -20.941 17.310 -2.889 1.00 15.00 A H +ATOM 4586 OG1 THR A 385 -19.259 17.138 -1.733 1.00 15.00 A O +ATOM 4587 HG1 THR A 385 -18.997 17.874 -2.292 1.00 15.00 A H +ATOM 4588 CG2 THR A 385 -21.453 16.450 -1.011 1.00 15.00 A C +ATOM 4589 HG21 THR A 385 -21.049 15.725 -0.319 1.00 15.00 A H +ATOM 4590 HG22 THR A 385 -22.414 16.113 -1.365 1.00 15.00 A H +ATOM 4591 HG23 THR A 385 -21.566 17.400 -0.509 1.00 15.00 A H +ATOM 4592 C THR A 385 -19.252 15.425 -4.042 1.00 15.00 A C +ATOM 4593 O THR A 385 -18.103 15.783 -3.787 1.00 15.00 A O +ATOM 4594 N PRO A 386 -19.645 15.127 -5.305 1.00 15.00 A N +ATOM 4595 CA PRO A 386 -18.784 15.269 -6.500 1.00 15.00 A C +ATOM 4596 HA PRO A 386 -18.102 14.436 -6.597 1.00 15.00 A H +ATOM 4597 CB PRO A 386 -19.778 15.236 -7.671 1.00 15.00 A C +ATOM 4598 HB1 PRO A 386 -19.467 14.503 -8.395 1.00 15.00 A H +ATOM 4599 HB2 PRO A 386 -19.816 16.215 -8.128 1.00 15.00 A H +ATOM 4600 CG PRO A 386 -21.119 14.879 -7.116 1.00 15.00 A C +ATOM 4601 HG1 PRO A 386 -21.518 14.034 -7.658 1.00 15.00 A H +ATOM 4602 HG2 PRO A 386 -21.784 15.725 -7.205 1.00 15.00 A H +ATOM 4603 CD PRO A 386 -20.940 14.518 -5.671 1.00 15.00 A C +ATOM 4604 HD1 PRO A 386 -20.905 13.441 -5.561 1.00 15.00 A H +ATOM 4605 HD2 PRO A 386 -21.743 14.933 -5.082 1.00 15.00 A H +ATOM 4606 C PRO A 386 -17.998 16.585 -6.594 1.00 15.00 A C +ATOM 4607 O PRO A 386 -18.593 17.650 -6.784 1.00 15.00 A O +ATOM 4608 N ASN A 387 -16.661 16.481 -6.469 1.00 15.00 A N +ATOM 4609 HN ASN A 387 -16.287 15.606 -6.265 1.00 15.00 A H +ATOM 4610 CA ASN A 387 -15.727 17.623 -6.605 1.00 15.00 A C +ATOM 4611 HA ASN A 387 -14.751 17.198 -6.786 1.00 15.00 A H +ATOM 4612 CB ASN A 387 -16.086 18.485 -7.816 1.00 15.00 A C +ATOM 4613 HB1 ASN A 387 -16.763 19.264 -7.508 1.00 15.00 A H +ATOM 4614 HB2 ASN A 387 -16.576 17.860 -8.549 1.00 15.00 A H +ATOM 4615 CG ASN A 387 -14.883 19.123 -8.478 1.00 15.00 A C +ATOM 4616 OD1 ASN A 387 -14.924 20.276 -8.906 1.00 15.00 A O +ATOM 4617 ND2 ASN A 387 -13.790 18.385 -8.543 1.00 15.00 A N +ATOM 4618 HD21 ASN A 387 -13.813 17.492 -8.143 1.00 15.00 A H +ATOM 4619 HD22 ASN A 387 -13.031 18.733 -9.035 1.00 15.00 A H +ATOM 4620 C ASN A 387 -15.617 18.491 -5.351 1.00 15.00 A C +ATOM 4621 O ASN A 387 -15.307 19.682 -5.436 1.00 15.00 A O +ATOM 4622 N SER A 388 -15.853 17.899 -4.185 1.00 15.00 A N +ATOM 4623 HN SER A 388 -16.120 16.955 -4.171 1.00 15.00 A H +ATOM 4624 CA SER A 388 -15.736 18.635 -2.929 1.00 15.00 A C +ATOM 4625 HA SER A 388 -16.297 19.554 -3.027 1.00 15.00 A H +ATOM 4626 CB SER A 388 -16.306 17.817 -1.783 1.00 15.00 A C +ATOM 4627 HB1 SER A 388 -17.376 17.955 -1.740 1.00 15.00 A H +ATOM 4628 HB2 SER A 388 -15.863 18.138 -0.852 1.00 15.00 A H +ATOM 4629 OG SER A 388 -16.031 16.445 -1.967 1.00 15.00 A O +ATOM 4630 HG SER A 388 -16.434 15.942 -1.253 1.00 15.00 A H +ATOM 4631 C SER A 388 -14.271 18.970 -2.660 1.00 15.00 A C +ATOM 4632 O SER A 388 -13.408 18.096 -2.742 1.00 15.00 A O +ATOM 4633 N LYS A 389 -13.986 20.223 -2.317 1.00 15.00 A N +ATOM 4634 HN LYS A 389 -14.710 20.875 -2.206 1.00 15.00 A H +ATOM 4635 CA LYS A 389 -12.601 20.634 -2.101 1.00 15.00 A C +ATOM 4636 HA LYS A 389 -11.995 19.743 -2.122 1.00 15.00 A H +ATOM 4637 CB LYS A 389 -12.157 21.541 -3.248 1.00 15.00 A C +ATOM 4638 HB1 LYS A 389 -11.145 21.867 -3.065 1.00 15.00 A H +ATOM 4639 HB2 LYS A 389 -12.805 22.405 -3.281 1.00 15.00 A H +ATOM 4640 CG LYS A 389 -12.202 20.868 -4.610 1.00 15.00 A C +ATOM 4641 HG1 LYS A 389 -13.232 20.771 -4.925 1.00 15.00 A H +ATOM 4642 HG2 LYS A 389 -11.752 19.889 -4.535 1.00 15.00 A H +ATOM 4643 CD LYS A 389 -11.444 21.682 -5.641 1.00 15.00 A C +ATOM 4644 HD1 LYS A 389 -10.408 21.740 -5.343 1.00 15.00 A H +ATOM 4645 HD2 LYS A 389 -11.866 22.674 -5.676 1.00 15.00 A H +ATOM 4646 CE LYS A 389 -11.527 21.065 -7.026 1.00 15.00 A C +ATOM 4647 HE1 LYS A 389 -12.541 21.162 -7.389 1.00 15.00 A H +ATOM 4648 HE2 LYS A 389 -11.270 20.017 -6.956 1.00 15.00 A H +ATOM 4649 NZ LYS A 389 -10.601 21.728 -7.989 1.00 15.00 A N +ATOM 4650 HZ1 LYS A 389 -10.668 21.271 -8.924 1.00 15.00 A H +ATOM 4651 HZ2 LYS A 389 -9.620 21.653 -7.651 1.00 15.00 A H +ATOM 4652 HZ3 LYS A 389 -10.844 22.733 -8.089 1.00 15.00 A H +ATOM 4653 C LYS A 389 -12.378 21.336 -0.758 1.00 15.00 A C +ATOM 4654 O LYS A 389 -11.301 21.889 -0.523 1.00 15.00 A O +ATOM 4655 N SER A 390 -13.376 21.303 0.122 1.00 15.00 A N +ATOM 4656 HN SER A 390 -14.209 20.842 -0.113 1.00 15.00 A H +ATOM 4657 CA SER A 390 -13.249 21.934 1.438 1.00 15.00 A C +ATOM 4658 HA SER A 390 -12.816 22.913 1.290 1.00 15.00 A H +ATOM 4659 CB SER A 390 -14.625 22.087 2.089 1.00 15.00 A C +ATOM 4660 HB1 SER A 390 -14.523 22.623 3.020 1.00 15.00 A H +ATOM 4661 HB2 SER A 390 -15.043 21.110 2.279 1.00 15.00 A H +ATOM 4662 OG SER A 390 -15.509 22.803 1.245 1.00 15.00 A O +ATOM 4663 HG SER A 390 -15.380 23.748 1.370 1.00 15.00 A H +ATOM 4664 C SER A 390 -12.314 21.111 2.326 1.00 15.00 A C +ATOM 4665 O SER A 390 -12.675 20.034 2.792 1.00 15.00 A O +ATOM 4666 N GLN A 391 -11.110 21.636 2.562 1.00 15.00 A N +ATOM 4667 HN GLN A 391 -10.900 22.521 2.200 1.00 15.00 A H +ATOM 4668 CA GLN A 391 -10.093 20.926 3.347 1.00 15.00 A C +ATOM 4669 HA GLN A 391 -10.381 19.888 3.392 1.00 15.00 A H +ATOM 4670 CB GLN A 391 -8.747 21.025 2.622 1.00 15.00 A C +ATOM 4671 HB1 GLN A 391 -8.491 22.068 2.505 1.00 15.00 A H +ATOM 4672 HB2 GLN A 391 -8.848 20.580 1.643 1.00 15.00 A H +ATOM 4673 CG GLN A 391 -7.596 20.334 3.334 1.00 15.00 A C +ATOM 4674 HG1 GLN A 391 -7.717 19.265 3.236 1.00 15.00 A H +ATOM 4675 HG2 GLN A 391 -7.622 20.605 4.380 1.00 15.00 A H +ATOM 4676 CD GLN A 391 -6.249 20.728 2.760 1.00 15.00 A C +ATOM 4677 OE1 GLN A 391 -5.246 20.767 3.468 1.00 15.00 A O +ATOM 4678 NE2 GLN A 391 -6.226 21.025 1.468 1.00 15.00 A N +ATOM 4679 HE21 GLN A 391 -7.066 20.974 0.968 1.00 15.00 A H +ATOM 4680 HE22 GLN A 391 -5.371 21.286 1.068 1.00 15.00 A H +ATOM 4681 C GLN A 391 -9.953 21.455 4.777 1.00 15.00 A C +ATOM 4682 O GLN A 391 -10.150 22.645 5.044 1.00 15.00 A O +ATOM 4683 N ILE A 392 -9.602 20.543 5.694 1.00 15.00 A N +ATOM 4684 HN ILE A 392 -9.481 19.614 5.407 1.00 15.00 A H +ATOM 4685 CA ILE A 392 -9.406 20.877 7.102 1.00 15.00 A C +ATOM 4686 HA ILE A 392 -8.833 21.792 7.151 1.00 15.00 A H +ATOM 4687 CB ILE A 392 -10.757 21.103 7.814 1.00 15.00 A C +ATOM 4688 HB ILE A 392 -11.395 21.655 7.144 1.00 15.00 A H +ATOM 4689 CG1 ILE A 392 -10.558 21.918 9.096 1.00 15.00 A C +ATOM 4690 HG11 ILE A 392 -9.935 22.772 8.878 1.00 15.00 A H +ATOM 4691 HG12 ILE A 392 -10.070 21.301 9.835 1.00 15.00 A H +ATOM 4692 CG2 ILE A 392 -11.444 19.774 8.120 1.00 15.00 A C +ATOM 4693 HG21 ILE A 392 -10.744 19.106 8.604 1.00 15.00 A H +ATOM 4694 HG22 ILE A 392 -11.793 19.325 7.201 1.00 15.00 A H +ATOM 4695 HG23 ILE A 392 -12.284 19.947 8.777 1.00 15.00 A H +ATOM 4696 CD1 ILE A 392 -11.850 22.425 9.693 1.00 15.00 A C +ATOM 4697 HD11 ILE A 392 -11.629 23.130 10.481 1.00 15.00 A H +ATOM 4698 HD12 ILE A 392 -12.408 21.594 10.101 1.00 15.00 A H +ATOM 4699 HD13 ILE A 392 -12.437 22.911 8.928 1.00 15.00 A H +ATOM 4700 C ILE A 392 -8.627 19.770 7.818 1.00 15.00 A C +ATOM 4701 O ILE A 392 -8.603 18.626 7.362 1.00 15.00 A O +ATOM 4702 N ASN A 393 -7.977 20.130 8.932 1.00 15.00 A N +ATOM 4703 HN ASN A 393 -8.026 21.064 9.225 1.00 15.00 A H +ATOM 4704 CA ASN A 393 -7.197 19.181 9.730 1.00 15.00 A C +ATOM 4705 HA ASN A 393 -6.786 19.725 10.568 1.00 15.00 A H +ATOM 4706 CB ASN A 393 -8.102 18.059 10.270 1.00 15.00 A C +ATOM 4707 HB1 ASN A 393 -7.475 17.283 10.691 1.00 15.00 A H +ATOM 4708 HB2 ASN A 393 -8.673 17.645 9.457 1.00 15.00 A H +ATOM 4709 CG ASN A 393 -9.071 18.522 11.347 1.00 15.00 A C +ATOM 4710 OD1 ASN A 393 -10.215 18.071 11.403 1.00 15.00 A O +ATOM 4711 ND2 ASN A 393 -8.628 19.437 12.201 1.00 15.00 A N +ATOM 4712 HD21 ASN A 393 -7.719 19.778 12.079 1.00 15.00 A H +ATOM 4713 HD22 ASN A 393 -9.206 19.695 12.942 1.00 15.00 A H +ATOM 4714 C ASN A 393 -6.033 18.583 8.924 1.00 15.00 A C +ATOM 4715 O ASN A 393 -5.785 17.376 8.986 1.00 15.00 A O +ATOM 4716 N ARG A 394 -5.329 19.431 8.162 1.00 15.00 A N +ATOM 4717 HN ARG A 394 -5.596 20.374 8.126 1.00 15.00 A H +ATOM 4718 CA ARG A 394 -4.182 18.976 7.361 1.00 15.00 A C +ATOM 4719 HA ARG A 394 -4.429 17.992 6.982 1.00 15.00 A H +ATOM 4720 CB ARG A 394 -3.896 19.912 6.164 1.00 15.00 A C +ATOM 4721 HB1 ARG A 394 -4.696 20.630 6.086 1.00 15.00 A H +ATOM 4722 HB2 ARG A 394 -3.877 19.315 5.261 1.00 15.00 A H +ATOM 4723 CG ARG A 394 -2.564 20.679 6.250 1.00 15.00 A C +ATOM 4724 HG1 ARG A 394 -1.981 20.275 7.066 1.00 15.00 A H +ATOM 4725 HG2 ARG A 394 -2.773 21.720 6.437 1.00 15.00 A H +ATOM 4726 CD ARG A 394 -1.754 20.564 4.961 1.00 15.00 A C +ATOM 4727 HD1 ARG A 394 -2.371 20.883 4.135 1.00 15.00 A H +ATOM 4728 HD2 ARG A 394 -1.472 19.531 4.821 1.00 15.00 A H +ATOM 4729 NE ARG A 394 -0.536 21.383 4.983 1.00 15.00 A N +ATOM 4730 HE ARG A 394 -0.434 22.028 5.713 1.00 15.00 A H +ATOM 4731 CZ ARG A 394 0.427 21.297 4.066 1.00 15.00 A C +ATOM 4732 NH1 ARG A 394 0.314 20.427 3.070 1.00 15.00 A N +ATOM 4733 HH11 ARG A 394 -0.529 19.818 3.008 1.00 15.00 A H +ATOM 4734 HH12 ARG A 394 1.060 20.353 2.349 1.00 15.00 A H +ATOM 4735 NH2 ARG A 394 1.494 22.087 4.139 1.00 15.00 A N +ATOM 4736 HH21 ARG A 394 1.579 22.777 4.912 1.00 15.00 A H +ATOM 4737 HH22 ARG A 394 2.245 22.017 3.421 1.00 15.00 A H +ATOM 4738 C ARG A 394 -2.937 18.860 8.225 1.00 15.00 A C +ATOM 4739 O ARG A 394 -2.711 19.675 9.122 1.00 15.00 A O +ATOM 4740 N GLN A 395 -2.130 17.844 7.946 1.00 15.00 A N +ATOM 4741 HN GLN A 395 -2.373 17.229 7.219 1.00 15.00 A H +ATOM 4742 CA GLN A 395 -0.901 17.615 8.690 1.00 15.00 A C +ATOM 4743 HA GLN A 395 -0.655 18.520 9.221 1.00 15.00 A H +ATOM 4744 CB GLN A 395 -1.075 16.478 9.691 1.00 15.00 A C +ATOM 4745 HB1 GLN A 395 -0.165 16.385 10.266 1.00 15.00 A H +ATOM 4746 HB2 GLN A 395 -1.232 15.560 9.144 1.00 15.00 A H +ATOM 4747 CG GLN A 395 -2.226 16.638 10.658 1.00 15.00 A C +ATOM 4748 HG1 GLN A 395 -3.143 16.782 10.105 1.00 15.00 A H +ATOM 4749 HG2 GLN A 395 -2.040 17.498 11.287 1.00 15.00 A H +ATOM 4750 CD GLN A 395 -2.365 15.415 11.533 1.00 15.00 A C +ATOM 4751 OE1 GLN A 395 -3.466 14.928 11.778 1.00 15.00 A O +ATOM 4752 NE2 GLN A 395 -1.231 14.923 12.020 1.00 15.00 A N +ATOM 4753 HE21 GLN A 395 -0.394 15.378 11.787 1.00 15.00 A H +ATOM 4754 HE22 GLN A 395 -1.276 14.125 12.585 1.00 15.00 A H +ATOM 4755 C GLN A 395 0.247 17.239 7.765 1.00 15.00 A C +ATOM 4756 O GLN A 395 0.065 16.473 6.820 1.00 15.00 A O +ATOM 4757 N VAL A 396 1.432 17.772 8.048 1.00 15.00 A N +ATOM 4758 HN VAL A 396 1.507 18.408 8.792 1.00 15.00 A H +ATOM 4759 CA VAL A 396 2.616 17.441 7.270 1.00 15.00 A C +ATOM 4760 HA VAL A 396 2.294 17.147 6.278 1.00 15.00 A H +ATOM 4761 CB VAL A 396 3.593 18.630 7.131 1.00 15.00 A C +ATOM 4762 HB VAL A 396 3.770 19.048 8.109 1.00 15.00 A H +ATOM 4763 CG1 VAL A 396 4.926 18.156 6.566 1.00 15.00 A C +ATOM 4764 HG11 VAL A 396 5.379 17.458 7.254 1.00 15.00 A H +ATOM 4765 HG12 VAL A 396 5.584 19.000 6.423 1.00 15.00 A H +ATOM 4766 HG13 VAL A 396 4.759 17.667 5.617 1.00 15.00 A H +ATOM 4767 CG2 VAL A 396 3.001 19.715 6.246 1.00 15.00 A C +ATOM 4768 HG21 VAL A 396 1.983 19.910 6.545 1.00 15.00 A H +ATOM 4769 HG22 VAL A 396 3.017 19.387 5.215 1.00 15.00 A H +ATOM 4770 HG23 VAL A 396 3.584 20.619 6.342 1.00 15.00 A H +ATOM 4771 C VAL A 396 3.342 16.267 7.924 1.00 15.00 A C +ATOM 4772 O VAL A 396 3.748 16.344 9.081 1.00 15.00 A O +ATOM 4773 N ILE A 397 3.477 15.178 7.179 1.00 15.00 A N +ATOM 4774 HN ILE A 397 3.101 15.175 6.272 1.00 15.00 A H +ATOM 4775 CA ILE A 397 4.159 13.986 7.668 1.00 15.00 A C +ATOM 4776 HA ILE A 397 4.109 13.987 8.747 1.00 15.00 A H +ATOM 4777 CB ILE A 397 3.458 12.716 7.142 1.00 15.00 A C +ATOM 4778 HB ILE A 397 3.605 12.656 6.074 1.00 15.00 A H +ATOM 4779 CG1 ILE A 397 1.961 12.821 7.437 1.00 15.00 A C +ATOM 4780 HG11 ILE A 397 1.436 12.019 6.942 1.00 15.00 A H +ATOM 4781 HG12 ILE A 397 1.598 13.767 7.064 1.00 15.00 A H +ATOM 4782 CG2 ILE A 397 4.044 11.462 7.778 1.00 15.00 A C +ATOM 4783 HG21 ILE A 397 5.068 11.342 7.462 1.00 15.00 A H +ATOM 4784 HG22 ILE A 397 3.468 10.599 7.472 1.00 15.00 A H +ATOM 4785 HG23 ILE A 397 4.005 11.554 8.854 1.00 15.00 A H +ATOM 4786 CD1 ILE A 397 1.636 12.754 8.917 1.00 15.00 A C +ATOM 4787 HD11 ILE A 397 2.086 13.600 9.421 1.00 15.00 A H +ATOM 4788 HD12 ILE A 397 2.034 11.840 9.332 1.00 15.00 A H +ATOM 4789 HD13 ILE A 397 0.568 12.781 9.055 1.00 15.00 A H +ATOM 4790 C ILE A 397 5.618 14.026 7.239 1.00 15.00 A C +ATOM 4791 O ILE A 397 6.522 13.752 8.023 1.00 15.00 A O +ATOM 4792 N VAL A 398 5.821 14.391 5.980 1.00 15.00 A N +ATOM 4793 HN VAL A 398 5.041 14.571 5.413 1.00 15.00 A H +ATOM 4794 CA VAL A 398 7.149 14.539 5.400 1.00 15.00 A C +ATOM 4795 HA VAL A 398 7.871 14.577 6.204 1.00 15.00 A H +ATOM 4796 CB VAL A 398 7.503 13.367 4.447 1.00 15.00 A C +ATOM 4797 HB VAL A 398 6.840 13.412 3.593 1.00 15.00 A H +ATOM 4798 CG1 VAL A 398 8.933 13.488 3.942 1.00 15.00 A C +ATOM 4799 HG11 VAL A 398 9.431 14.289 4.467 1.00 15.00 A H +ATOM 4800 HG12 VAL A 398 8.926 13.702 2.885 1.00 15.00 A H +ATOM 4801 HG13 VAL A 398 9.457 12.561 4.120 1.00 15.00 A H +ATOM 4802 CG2 VAL A 398 7.300 12.025 5.135 1.00 15.00 A C +ATOM 4803 HG21 VAL A 398 6.271 11.936 5.450 1.00 15.00 A H +ATOM 4804 HG22 VAL A 398 7.947 11.961 5.998 1.00 15.00 A H +ATOM 4805 HG23 VAL A 398 7.537 11.227 4.447 1.00 15.00 A H +ATOM 4806 C VAL A 398 7.167 15.859 4.630 1.00 15.00 A C +ATOM 4807 O VAL A 398 6.316 16.069 3.769 1.00 15.00 A O +ATOM 4808 N ASP A 399 8.097 16.760 4.952 1.00 15.00 A N +ATOM 4809 HN ASP A 399 8.755 16.550 5.650 1.00 15.00 A H +ATOM 4810 CA ASP A 399 8.150 18.066 4.280 1.00 15.00 A C +ATOM 4811 HA ASP A 399 7.181 18.528 4.426 1.00 15.00 A H +ATOM 4812 CB ASP A 399 9.211 18.980 4.914 1.00 15.00 A C +ATOM 4813 HB1 ASP A 399 8.991 19.083 5.968 1.00 15.00 A H +ATOM 4814 HB2 ASP A 399 9.164 19.953 4.449 1.00 15.00 A H +ATOM 4815 CG ASP A 399 10.625 18.458 4.778 1.00 15.00 A C +ATOM 4816 OD1 ASP A 399 11.033 17.629 5.616 1.00 15.00 A O +ATOM 4817 OD2 ASP A 399 11.329 18.891 3.844 1.00 15.00 A O +ATOM 4818 C ASP A 399 8.364 17.911 2.772 1.00 15.00 A C +ATOM 4819 O ASP A 399 8.897 16.903 2.309 1.00 15.00 A O +ATOM 4820 N SER A 400 7.934 18.926 2.022 1.00 15.00 A N +ATOM 4821 HN SER A 400 7.560 19.714 2.471 1.00 15.00 A H +ATOM 4822 CA SER A 400 8.002 18.918 0.556 1.00 15.00 A C +ATOM 4823 HA SER A 400 7.484 18.033 0.223 1.00 15.00 A H +ATOM 4824 CB SER A 400 7.263 20.139 -0.004 1.00 15.00 A C +ATOM 4825 HB1 SER A 400 6.199 19.957 0.021 1.00 15.00 A H +ATOM 4826 HB2 SER A 400 7.574 20.307 -1.025 1.00 15.00 A H +ATOM 4827 OG SER A 400 7.542 21.306 0.754 1.00 15.00 A O +ATOM 4828 HG SER A 400 6.726 21.642 1.135 1.00 15.00 A H +ATOM 4829 C SER A 400 9.430 18.876 -0.003 1.00 15.00 A C +ATOM 4830 O SER A 400 9.612 18.729 -1.213 1.00 15.00 A O +ATOM 4831 N ASP A 401 10.432 18.988 0.861 1.00 15.00 A N +ATOM 4832 HN ASP A 401 10.236 19.088 1.818 1.00 15.00 A H +ATOM 4833 CA ASP A 401 11.825 18.965 0.416 1.00 15.00 A C +ATOM 4834 HA ASP A 401 11.832 19.212 -0.634 1.00 15.00 A H +ATOM 4835 CB ASP A 401 12.640 20.019 1.168 1.00 15.00 A C +ATOM 4836 HB1 ASP A 401 13.654 19.664 1.286 1.00 15.00 A H +ATOM 4837 HB2 ASP A 401 12.202 20.174 2.143 1.00 15.00 A H +ATOM 4838 CG ASP A 401 12.675 21.349 0.442 1.00 15.00 A C +ATOM 4839 OD1 ASP A 401 11.592 21.875 0.107 1.00 15.00 A O +ATOM 4840 OD2 ASP A 401 13.787 21.870 0.213 1.00 15.00 A O +ATOM 4841 C ASP A 401 12.464 17.584 0.588 1.00 15.00 A C +ATOM 4842 O ASP A 401 13.640 17.395 0.263 1.00 15.00 A O +ATOM 4843 N ASN A 402 11.698 16.619 1.092 1.00 15.00 A N +ATOM 4844 HN ASN A 402 10.772 16.817 1.339 1.00 15.00 A H +ATOM 4845 CA ASN A 402 12.219 15.267 1.282 1.00 15.00 A C +ATOM 4846 HA ASN A 402 13.245 15.269 0.944 1.00 15.00 A H +ATOM 4847 CB ASN A 402 12.196 14.867 2.762 1.00 15.00 A C +ATOM 4848 HB1 ASN A 402 12.225 13.789 2.838 1.00 15.00 A H +ATOM 4849 HB2 ASN A 402 11.284 15.234 3.214 1.00 15.00 A H +ATOM 4850 CG ASN A 402 13.376 15.435 3.530 1.00 15.00 A C +ATOM 4851 OD1 ASN A 402 14.483 14.901 3.474 1.00 15.00 A O +ATOM 4852 ND2 ASN A 402 13.141 16.512 4.264 1.00 15.00 A N +ATOM 4853 HD21 ASN A 402 12.230 16.876 4.275 1.00 15.00 A H +ATOM 4854 HD22 ASN A 402 13.885 16.901 4.769 1.00 15.00 A H +ATOM 4855 C ASN A 402 11.447 14.267 0.431 1.00 15.00 A C +ATOM 4856 O ASN A 402 10.390 14.583 -0.109 1.00 15.00 A O +ATOM 4857 N ARG A 403 11.985 13.057 0.310 1.00 15.00 A N +ATOM 4858 HN ARG A 403 12.820 12.857 0.777 1.00 15.00 A H +ATOM 4859 CA ARG A 403 11.360 12.024 -0.510 1.00 15.00 A C +ATOM 4860 HA ARG A 403 10.875 12.518 -1.336 1.00 15.00 A H +ATOM 4861 CB ARG A 403 12.430 11.082 -1.075 1.00 15.00 A C +ATOM 4862 HB1 ARG A 403 11.965 10.413 -1.787 1.00 15.00 A H +ATOM 4863 HB2 ARG A 403 12.849 10.495 -0.267 1.00 15.00 A H +ATOM 4864 CG ARG A 403 13.568 11.812 -1.779 1.00 15.00 A C +ATOM 4865 HG1 ARG A 403 14.501 11.519 -1.322 1.00 15.00 A H +ATOM 4866 HG2 ARG A 403 13.423 12.875 -1.665 1.00 15.00 A H +ATOM 4867 CD ARG A 403 13.626 11.471 -3.263 1.00 15.00 A C +ATOM 4868 HD1 ARG A 403 13.929 12.350 -3.822 1.00 15.00 A H +ATOM 4869 HD2 ARG A 403 12.639 11.153 -3.586 1.00 15.00 A H +ATOM 4870 NE ARG A 403 14.577 10.396 -3.526 1.00 15.00 A N +ATOM 4871 HE ARG A 403 15.481 10.490 -3.153 1.00 15.00 A H +ATOM 4872 CZ ARG A 403 14.303 9.305 -4.239 1.00 15.00 A C +ATOM 4873 NH1 ARG A 403 13.127 9.162 -4.835 1.00 15.00 A N +ATOM 4874 HH11 ARG A 403 12.911 8.301 -5.365 1.00 15.00 A H +ATOM 4875 HH12 ARG A 403 12.430 9.912 -4.792 1.00 15.00 A H +ATOM 4876 NH2 ARG A 403 15.233 8.376 -4.397 1.00 15.00 A N +ATOM 4877 HH21 ARG A 403 15.028 7.522 -4.956 1.00 15.00 A H +ATOM 4878 HH22 ARG A 403 16.169 8.492 -3.951 1.00 15.00 A H +ATOM 4879 C ARG A 403 10.313 11.205 0.237 1.00 15.00 A C +ATOM 4880 O ARG A 403 10.393 11.002 1.451 1.00 15.00 A O +ATOM 4881 N SER A 404 9.327 10.754 -0.526 1.00 15.00 A N +ATOM 4882 HN SER A 404 9.323 10.994 -1.476 1.00 15.00 A H +ATOM 4883 CA SER A 404 8.253 9.914 -0.015 1.00 15.00 A C +ATOM 4884 HA SER A 404 8.552 9.554 0.958 1.00 15.00 A H +ATOM 4885 CB SER A 404 6.938 10.695 0.115 1.00 15.00 A C +ATOM 4886 HB1 SER A 404 7.053 11.468 0.860 1.00 15.00 A H +ATOM 4887 HB2 SER A 404 6.156 10.015 0.419 1.00 15.00 A H +ATOM 4888 OG SER A 404 6.557 11.297 -1.114 1.00 15.00 A O +ATOM 4889 HG SER A 404 7.333 11.657 -1.548 1.00 15.00 A H +ATOM 4890 C SER A 404 8.087 8.722 -0.954 1.00 15.00 A C +ATOM 4891 O SER A 404 9.079 8.217 -1.480 1.00 15.00 A O +ATOM 4892 N GLY A 405 6.855 8.260 -1.165 1.00 15.00 A N +ATOM 4893 HN GLY A 405 6.091 8.677 -0.709 1.00 15.00 A H +ATOM 4894 CA GLY A 405 6.651 7.130 -2.057 1.00 15.00 A C +ATOM 4895 HA1 GLY A 405 7.429 6.404 -1.873 1.00 15.00 A H +ATOM 4896 HA2 GLY A 405 6.727 7.476 -3.073 1.00 15.00 A H +ATOM 4897 C GLY A 405 5.313 6.459 -1.877 1.00 15.00 A C +ATOM 4898 O GLY A 405 4.276 7.125 -1.835 1.00 15.00 A O +ATOM 4899 N TYR A 406 5.330 5.132 -1.775 1.00 15.00 A N +ATOM 4900 HN TYR A 406 6.187 4.655 -1.821 1.00 15.00 A H +ATOM 4901 CA TYR A 406 4.102 4.375 -1.596 1.00 15.00 A C +ATOM 4902 HA TYR A 406 3.392 4.716 -2.338 1.00 15.00 A H +ATOM 4903 CB TYR A 406 4.333 2.873 -1.781 1.00 15.00 A C +ATOM 4904 HB1 TYR A 406 3.541 2.332 -1.279 1.00 15.00 A H +ATOM 4905 HB2 TYR A 406 5.281 2.600 -1.343 1.00 15.00 A H +ATOM 4906 CG TYR A 406 4.344 2.420 -3.214 1.00 15.00 A C +ATOM 4907 CD1 TYR A 406 4.604 3.305 -4.249 1.00 15.00 A C +ATOM 4908 HD1 TYR A 406 4.801 4.337 -4.018 1.00 15.00 A H +ATOM 4909 CD2 TYR A 406 4.077 1.096 -3.531 1.00 15.00 A C +ATOM 4910 HD2 TYR A 406 3.857 0.397 -2.735 1.00 15.00 A H +ATOM 4911 CE1 TYR A 406 4.614 2.879 -5.563 1.00 15.00 A C +ATOM 4912 HE1 TYR A 406 4.819 3.587 -6.359 1.00 15.00 A H +ATOM 4913 CE2 TYR A 406 4.082 0.664 -4.840 1.00 15.00 A C +ATOM 4914 HE2 TYR A 406 3.876 -0.370 -5.068 1.00 15.00 A H +ATOM 4915 CZ TYR A 406 4.348 1.560 -5.852 1.00 15.00 A C +ATOM 4916 OH TYR A 406 4.351 1.135 -7.154 1.00 15.00 A O +ATOM 4917 HH TYR A 406 3.661 0.477 -7.277 1.00 15.00 A H +ATOM 4918 C TYR A 406 3.520 4.609 -0.223 1.00 15.00 A C +ATOM 4919 O TYR A 406 4.222 4.961 0.720 1.00 15.00 A O +ATOM 4920 N SER A 407 2.226 4.419 -0.129 1.00 15.00 A N +ATOM 4921 HN SER A 407 1.720 4.169 -0.933 1.00 15.00 A H +ATOM 4922 CA SER A 407 1.521 4.585 1.118 1.00 15.00 A C +ATOM 4923 HA SER A 407 2.184 4.287 1.916 1.00 15.00 A H +ATOM 4924 CB SER A 407 1.120 6.049 1.316 1.00 15.00 A C +ATOM 4925 HB1 SER A 407 2.010 6.665 1.320 1.00 15.00 A H +ATOM 4926 HB2 SER A 407 0.606 6.158 2.260 1.00 15.00 A H +ATOM 4927 OG SER A 407 0.270 6.489 0.276 1.00 15.00 A O +ATOM 4928 HG SER A 407 -0.426 7.040 0.643 1.00 15.00 A H +ATOM 4929 C SER A 407 0.303 3.682 1.132 1.00 15.00 A C +ATOM 4930 O SER A 407 -0.380 3.525 0.119 1.00 15.00 A O +ATOM 4931 N GLY A 408 0.050 3.069 2.274 1.00 15.00 A N +ATOM 4932 HN GLY A 408 0.636 3.225 3.044 1.00 15.00 A H +ATOM 4933 CA GLY A 408 -1.082 2.180 2.398 1.00 15.00 A C +ATOM 4934 HA1 GLY A 408 -0.731 1.160 2.324 1.00 15.00 A H +ATOM 4935 HA2 GLY A 408 -1.773 2.371 1.589 1.00 15.00 A H +ATOM 4936 C GLY A 408 -1.807 2.348 3.710 1.00 15.00 A C +ATOM 4937 O GLY A 408 -1.382 3.121 4.567 1.00 15.00 A O +ATOM 4938 N ILE A 409 -2.916 1.644 3.858 1.00 15.00 A N +ATOM 4939 HN ILE A 409 -3.223 1.075 3.123 1.00 15.00 A H +ATOM 4940 CA ILE A 409 -3.699 1.700 5.081 1.00 15.00 A C +ATOM 4941 HA ILE A 409 -3.268 2.450 5.729 1.00 15.00 A H +ATOM 4942 CB ILE A 409 -5.173 2.089 4.780 1.00 15.00 A C +ATOM 4943 HB ILE A 409 -5.173 2.730 3.912 1.00 15.00 A H +ATOM 4944 CG1 ILE A 409 -5.800 2.849 5.962 1.00 15.00 A C +ATOM 4945 HG11 ILE A 409 -5.541 3.894 5.877 1.00 15.00 A H +ATOM 4946 HG12 ILE A 409 -5.403 2.457 6.887 1.00 15.00 A H +ATOM 4947 CG2 ILE A 409 -5.992 0.851 4.433 1.00 15.00 A C +ATOM 4948 HG21 ILE A 409 -6.203 0.298 5.337 1.00 15.00 A H +ATOM 4949 HG22 ILE A 409 -5.432 0.228 3.753 1.00 15.00 A H +ATOM 4950 HG23 ILE A 409 -6.920 1.151 3.973 1.00 15.00 A H +ATOM 4951 CD1 ILE A 409 -7.314 2.753 6.035 1.00 15.00 A C +ATOM 4952 HD11 ILE A 409 -7.700 3.567 6.628 1.00 15.00 A H +ATOM 4953 HD12 ILE A 409 -7.593 1.813 6.490 1.00 15.00 A H +ATOM 4954 HD13 ILE A 409 -7.727 2.805 5.039 1.00 15.00 A H +ATOM 4955 C ILE A 409 -3.673 0.345 5.796 1.00 15.00 A C +ATOM 4956 O ILE A 409 -3.554 -0.705 5.161 1.00 15.00 A O +ATOM 4957 N PHE A 410 -3.724 0.381 7.123 1.00 15.00 A N +ATOM 4958 HN PHE A 410 -3.720 1.248 7.578 1.00 15.00 A H +ATOM 4959 CA PHE A 410 -3.773 -0.844 7.918 1.00 15.00 A C +ATOM 4960 HA PHE A 410 -4.285 -1.576 7.314 1.00 15.00 A H +ATOM 4961 CB PHE A 410 -2.370 -1.388 8.252 1.00 15.00 A C +ATOM 4962 HB1 PHE A 410 -1.774 -1.384 7.356 1.00 15.00 A H +ATOM 4963 HB2 PHE A 410 -2.470 -2.408 8.587 1.00 15.00 A H +ATOM 4964 CG PHE A 410 -1.621 -0.634 9.315 1.00 15.00 A C +ATOM 4965 CD1 PHE A 410 -1.727 -1.003 10.651 1.00 15.00 A C +ATOM 4966 HD1 PHE A 410 -2.371 -1.824 10.924 1.00 15.00 A H +ATOM 4967 CD2 PHE A 410 -0.792 0.425 8.979 1.00 15.00 A C +ATOM 4968 HD2 PHE A 410 -0.698 0.716 7.943 1.00 15.00 A H +ATOM 4969 CE1 PHE A 410 -1.026 -0.323 11.631 1.00 15.00 A C +ATOM 4970 HE1 PHE A 410 -1.106 -0.629 12.661 1.00 15.00 A H +ATOM 4971 CE2 PHE A 410 -0.087 1.108 9.955 1.00 15.00 A C +ATOM 4972 HE2 PHE A 410 0.556 1.927 9.679 1.00 15.00 A H +ATOM 4973 CZ PHE A 410 -0.204 0.736 11.282 1.00 15.00 A C +ATOM 4974 HZ PHE A 410 0.343 1.267 12.047 1.00 15.00 A H +ATOM 4975 C PHE A 410 -4.619 -0.614 9.163 1.00 15.00 A C +ATOM 4976 O PHE A 410 -4.461 0.383 9.871 1.00 15.00 A O +ATOM 4977 N SER A 411 -5.527 -1.545 9.416 1.00 15.00 A N +ATOM 4978 HN SER A 411 -5.579 -2.331 8.832 1.00 15.00 A H +ATOM 4979 CA SER A 411 -6.449 -1.421 10.530 1.00 15.00 A C +ATOM 4980 HA SER A 411 -6.482 -0.381 10.805 1.00 15.00 A H +ATOM 4981 CB SER A 411 -7.848 -1.838 10.084 1.00 15.00 A C +ATOM 4982 HB1 SER A 411 -8.533 -1.725 10.911 1.00 15.00 A H +ATOM 4983 HB2 SER A 411 -7.834 -2.872 9.767 1.00 15.00 A H +ATOM 4984 OG SER A 411 -8.288 -1.034 9.007 1.00 15.00 A O +ATOM 4985 HG SER A 411 -7.700 -0.280 8.917 1.00 15.00 A H +ATOM 4986 C SER A 411 -6.049 -2.228 11.752 1.00 15.00 A C +ATOM 4987 O SER A 411 -5.643 -3.386 11.658 1.00 15.00 A O +ATOM 4988 N VAL A 412 -6.171 -1.575 12.900 1.00 15.00 A N +ATOM 4989 HN VAL A 412 -6.450 -0.635 12.876 1.00 15.00 A H +ATOM 4990 CA VAL A 412 -5.900 -2.188 14.189 1.00 15.00 A C +ATOM 4991 HA VAL A 412 -5.587 -3.207 14.014 1.00 15.00 A H +ATOM 4992 CB VAL A 412 -4.783 -1.449 14.978 1.00 15.00 A C +ATOM 4993 HB VAL A 412 -4.480 -2.084 15.800 1.00 15.00 A H +ATOM 4994 CG1 VAL A 412 -3.562 -1.220 14.099 1.00 15.00 A C +ATOM 4995 HG11 VAL A 412 -3.048 -2.157 13.950 1.00 15.00 A H +ATOM 4996 HG12 VAL A 412 -2.900 -0.516 14.580 1.00 15.00 A H +ATOM 4997 HG13 VAL A 412 -3.877 -0.825 13.145 1.00 15.00 A H +ATOM 4998 CG2 VAL A 412 -5.271 -0.124 15.562 1.00 15.00 A C +ATOM 4999 HG21 VAL A 412 -4.543 0.248 16.267 1.00 15.00 A H +ATOM 5000 HG22 VAL A 412 -6.213 -0.280 16.068 1.00 15.00 A H +ATOM 5001 HG23 VAL A 412 -5.402 0.596 14.769 1.00 15.00 A H +ATOM 5002 C VAL A 412 -7.204 -2.194 14.989 1.00 15.00 A C +ATOM 5003 O VAL A 412 -7.898 -1.177 15.058 1.00 15.00 A O +ATOM 5004 N GLU A 413 -7.573 -3.330 15.562 1.00 15.00 A N +ATOM 5005 HN GLU A 413 -7.011 -4.132 15.473 1.00 15.00 A H +ATOM 5006 CA GLU A 413 -8.816 -3.389 16.320 1.00 15.00 A C +ATOM 5007 HA GLU A 413 -9.530 -2.761 15.809 1.00 15.00 A H +ATOM 5008 CB GLU A 413 -9.380 -4.809 16.374 1.00 15.00 A C +ATOM 5009 HB1 GLU A 413 -8.865 -5.363 17.142 1.00 15.00 A H +ATOM 5010 HB2 GLU A 413 -9.217 -5.290 15.422 1.00 15.00 A H +ATOM 5011 CG GLU A 413 -10.870 -4.837 16.678 1.00 15.00 A C +ATOM 5012 HG1 GLU A 413 -11.416 -4.713 15.753 1.00 15.00 A H +ATOM 5013 HG2 GLU A 413 -11.104 -4.022 17.343 1.00 15.00 A H +ATOM 5014 CD GLU A 413 -11.314 -6.131 17.331 1.00 15.00 A C +ATOM 5015 OE1 GLU A 413 -10.866 -6.411 18.461 1.00 15.00 A O +ATOM 5016 OE2 GLU A 413 -12.124 -6.858 16.717 1.00 15.00 A O +ATOM 5017 C GLU A 413 -8.627 -2.848 17.729 1.00 15.00 A C +ATOM 5018 O GLU A 413 -7.800 -3.348 18.492 1.00 15.00 A O +ATOM 5019 N GLY A 414 -9.393 -1.815 18.055 1.00 15.00 A N +ATOM 5020 HN GLY A 414 -10.009 -1.447 17.386 1.00 15.00 A H +ATOM 5021 CA GLY A 414 -9.320 -1.218 19.372 1.00 15.00 A C +ATOM 5022 HA1 GLY A 414 -9.607 -0.180 19.300 1.00 15.00 A H +ATOM 5023 HA2 GLY A 414 -8.304 -1.278 19.726 1.00 15.00 A H +ATOM 5024 C GLY A 414 -10.227 -1.908 20.372 1.00 15.00 A C +ATOM 5025 O GLY A 414 -10.782 -2.971 20.091 1.00 15.00 A O +ATOM 5026 N LYS A 415 -10.387 -1.291 21.534 1.00 15.00 A N +ATOM 5027 HN LYS A 415 -9.936 -0.434 21.682 1.00 15.00 A H +ATOM 5028 CA LYS A 415 -11.214 -1.852 22.595 1.00 15.00 A C +ATOM 5029 HA LYS A 415 -11.001 -2.908 22.651 1.00 15.00 A H +ATOM 5030 CB LYS A 415 -10.843 -1.205 23.932 1.00 15.00 A C +ATOM 5031 HB1 LYS A 415 -11.261 -0.208 23.965 1.00 15.00 A H +ATOM 5032 HB2 LYS A 415 -9.767 -1.133 23.995 1.00 15.00 A H +ATOM 5033 CG LYS A 415 -11.335 -1.967 25.149 1.00 15.00 A C +ATOM 5034 HG1 LYS A 415 -10.705 -2.832 25.300 1.00 15.00 A H +ATOM 5035 HG2 LYS A 415 -12.354 -2.285 24.980 1.00 15.00 A H +ATOM 5036 CD LYS A 415 -11.282 -1.096 26.392 1.00 15.00 A C +ATOM 5037 HD1 LYS A 415 -11.589 -1.680 27.248 1.00 15.00 A H +ATOM 5038 HD2 LYS A 415 -11.958 -0.263 26.261 1.00 15.00 A H +ATOM 5039 CE LYS A 415 -9.879 -0.558 26.631 1.00 15.00 A C +ATOM 5040 HE1 LYS A 415 -9.877 0.021 27.542 1.00 15.00 A H +ATOM 5041 HE2 LYS A 415 -9.607 0.079 25.802 1.00 15.00 A H +ATOM 5042 NZ LYS A 415 -8.872 -1.651 26.748 1.00 15.00 A N +ATOM 5043 HZ1 LYS A 415 -7.933 -1.254 26.954 1.00 15.00 A H +ATOM 5044 HZ2 LYS A 415 -8.819 -2.186 25.856 1.00 15.00 A H +ATOM 5045 HZ3 LYS A 415 -9.139 -2.303 27.514 1.00 15.00 A H +ATOM 5046 C LYS A 415 -12.709 -1.667 22.318 1.00 15.00 A C +ATOM 5047 O LYS A 415 -13.510 -2.561 22.593 1.00 15.00 A O +ATOM 5048 N SER A 416 -13.078 -0.513 21.765 1.00 15.00 A N +ATOM 5049 HN SER A 416 -12.396 0.151 21.540 1.00 15.00 A H +ATOM 5050 CA SER A 416 -14.481 -0.220 21.472 1.00 15.00 A C +ATOM 5051 HA SER A 416 -15.067 -1.077 21.769 1.00 15.00 A H +ATOM 5052 CB SER A 416 -14.949 1.000 22.275 1.00 15.00 A C +ATOM 5053 HB1 SER A 416 -15.048 0.732 23.314 1.00 15.00 A H +ATOM 5054 HB2 SER A 416 -15.906 1.333 21.896 1.00 15.00 A H +ATOM 5055 OG SER A 416 -14.024 2.069 22.164 1.00 15.00 A O +ATOM 5056 HG SER A 416 -13.323 1.959 22.811 1.00 15.00 A H +ATOM 5057 C SER A 416 -14.709 0.030 19.984 1.00 15.00 A C +ATOM 5058 O SER A 416 -15.825 -0.117 19.486 1.00 15.00 A O +ATOM 5059 N CYS A 417 -13.646 0.384 19.273 1.00 15.00 A N +ATOM 5060 HN CYS A 417 -12.770 0.439 19.712 1.00 15.00 A H +ATOM 5061 CA CYS A 417 -13.747 0.678 17.853 1.00 15.00 A C +ATOM 5062 HA CYS A 417 -14.574 0.117 17.451 1.00 15.00 A H +ATOM 5063 HB1 CYS A 417 -14.971 2.424 18.095 1.00 15.00 A H +ATOM 5064 HB2 CYS A 417 -14.050 2.384 16.593 1.00 15.00 A H +ATOM 5065 C CYS A 417 -12.471 0.281 17.123 1.00 15.00 A C +ATOM 5066 O CYS A 417 -11.424 0.131 17.745 1.00 15.00 A O +ATOM 5067 CB CYS A 417 -14.016 2.175 17.653 1.00 15.00 A C +ATOM 5068 SG CYS A 417 -12.755 3.267 18.392 1.00 15.00 A S +ATOM 5069 N ILE A 418 -12.553 0.128 15.799 1.00 15.00 A N +ATOM 5070 HN ILE A 418 -13.413 0.267 15.349 1.00 15.00 A H +ATOM 5071 CA ILE A 418 -11.378 -0.233 15.016 1.00 15.00 A C +ATOM 5072 HA ILE A 418 -10.653 -0.630 15.714 1.00 15.00 A H +ATOM 5073 CB ILE A 418 -11.675 -1.341 13.957 1.00 15.00 A C +ATOM 5074 HB ILE A 418 -10.816 -1.998 13.922 1.00 15.00 A H +ATOM 5075 CG1 ILE A 418 -11.911 -0.774 12.558 1.00 15.00 A C +ATOM 5076 HG11 ILE A 418 -12.151 0.277 12.635 1.00 15.00 A H +ATOM 5077 HG12 ILE A 418 -12.734 -1.299 12.101 1.00 15.00 A H +ATOM 5078 CG2 ILE A 418 -12.867 -2.176 14.389 1.00 15.00 A C +ATOM 5079 HG21 ILE A 418 -12.900 -3.086 13.810 1.00 15.00 A H +ATOM 5080 HG22 ILE A 418 -13.778 -1.615 14.230 1.00 15.00 A H +ATOM 5081 HG23 ILE A 418 -12.774 -2.417 15.437 1.00 15.00 A H +ATOM 5082 CD1 ILE A 418 -10.716 -0.913 11.645 1.00 15.00 A C +ATOM 5083 HD11 ILE A 418 -10.497 -1.960 11.495 1.00 15.00 A H +ATOM 5084 HD12 ILE A 418 -9.863 -0.427 12.097 1.00 15.00 A H +ATOM 5085 HD13 ILE A 418 -10.934 -0.449 10.695 1.00 15.00 A H +ATOM 5086 C ILE A 418 -10.761 1.025 14.397 1.00 15.00 A C +ATOM 5087 O ILE A 418 -11.428 1.817 13.720 1.00 15.00 A O +ATOM 5088 N ASN A 419 -9.479 1.216 14.683 1.00 15.00 A N +ATOM 5089 HN ASN A 419 -9.012 0.541 15.216 1.00 15.00 A H +ATOM 5090 CA ASN A 419 -8.737 2.387 14.227 1.00 15.00 A C +ATOM 5091 HA ASN A 419 -9.437 3.204 14.127 1.00 15.00 A H +ATOM 5092 CB ASN A 419 -7.694 2.765 15.289 1.00 15.00 A C +ATOM 5093 HB1 ASN A 419 -6.929 2.001 15.316 1.00 15.00 A H +ATOM 5094 HB2 ASN A 419 -8.175 2.816 16.255 1.00 15.00 A H +ATOM 5095 CG ASN A 419 -7.024 4.099 15.015 1.00 15.00 A C +ATOM 5096 OD1 ASN A 419 -5.835 4.272 15.287 1.00 15.00 A O +ATOM 5097 ND2 ASN A 419 -7.782 5.055 14.484 1.00 15.00 A N +ATOM 5098 HD21 ASN A 419 -8.723 4.858 14.315 1.00 15.00 A H +ATOM 5099 HD22 ASN A 419 -7.360 5.910 14.260 1.00 15.00 A H +ATOM 5100 C ASN A 419 -8.046 2.158 12.878 1.00 15.00 A C +ATOM 5101 O ASN A 419 -7.753 1.021 12.498 1.00 15.00 A O +ATOM 5102 N ARG A 420 -7.806 3.260 12.161 1.00 15.00 A N +ATOM 5103 HN ARG A 420 -8.100 4.124 12.511 1.00 15.00 A H +ATOM 5104 CA ARG A 420 -7.126 3.225 10.868 1.00 15.00 A C +ATOM 5105 HA ARG A 420 -7.014 2.197 10.569 1.00 15.00 A H +ATOM 5106 CB ARG A 420 -7.917 3.984 9.795 1.00 15.00 A C +ATOM 5107 HB1 ARG A 420 -7.548 3.694 8.822 1.00 15.00 A H +ATOM 5108 HB2 ARG A 420 -7.751 5.043 9.927 1.00 15.00 A H +ATOM 5109 CG ARG A 420 -9.412 3.736 9.823 1.00 15.00 A C +ATOM 5110 HG1 ARG A 420 -9.914 4.558 9.336 1.00 15.00 A H +ATOM 5111 HG2 ARG A 420 -9.739 3.671 10.851 1.00 15.00 A H +ATOM 5112 CD ARG A 420 -9.770 2.447 9.112 1.00 15.00 A C +ATOM 5113 HD1 ARG A 420 -9.339 1.619 9.653 1.00 15.00 A H +ATOM 5114 HD2 ARG A 420 -9.360 2.478 8.110 1.00 15.00 A H +ATOM 5115 NE ARG A 420 -11.211 2.255 9.018 1.00 15.00 A N +ATOM 5116 HE ARG A 420 -11.781 3.045 9.115 1.00 15.00 A H +ATOM 5117 CZ ARG A 420 -11.782 1.077 8.825 1.00 15.00 A C +ATOM 5118 NH1 ARG A 420 -11.033 -0.005 8.681 1.00 15.00 A N +ATOM 5119 HH11 ARG A 420 -9.996 0.069 8.737 1.00 15.00 A H +ATOM 5120 HH12 ARG A 420 -11.478 -0.932 8.526 1.00 15.00 A H +ATOM 5121 NH2 ARG A 420 -13.101 0.982 8.757 1.00 15.00 A N +ATOM 5122 HH21 ARG A 420 -13.690 1.834 8.868 1.00 15.00 A H +ATOM 5123 HH22 ARG A 420 -13.549 0.057 8.601 1.00 15.00 A H +ATOM 5124 C ARG A 420 -5.749 3.862 10.982 1.00 15.00 A C +ATOM 5125 O ARG A 420 -5.588 4.912 11.606 1.00 15.00 A O +ATOM 5126 N CYS A 421 -4.759 3.223 10.384 1.00 15.00 A N +ATOM 5127 HN CYS A 421 -4.945 2.376 9.926 1.00 15.00 A H +ATOM 5128 CA CYS A 421 -3.398 3.737 10.399 1.00 15.00 A C +ATOM 5129 HA CYS A 421 -3.428 4.763 10.728 1.00 15.00 A H +ATOM 5130 HB1 CYS A 421 -1.544 3.376 11.400 1.00 15.00 A H +ATOM 5131 HB2 CYS A 421 -2.429 1.916 10.975 1.00 15.00 A H +ATOM 5132 C CYS A 421 -2.811 3.690 9.002 1.00 15.00 A C +ATOM 5133 O CYS A 421 -3.387 3.079 8.100 1.00 15.00 A O +ATOM 5134 CB CYS A 421 -2.525 2.925 11.353 1.00 15.00 A C +ATOM 5135 SG CYS A 421 -3.165 2.816 13.053 1.00 15.00 A S +ATOM 5136 N PHE A 422 -1.667 4.325 8.817 1.00 15.00 A N +ATOM 5137 HN PHE A 422 -1.244 4.790 9.566 1.00 15.00 A H +ATOM 5138 CA PHE A 422 -1.030 4.334 7.511 1.00 15.00 A C +ATOM 5139 HA PHE A 422 -1.285 3.406 7.026 1.00 15.00 A H +ATOM 5140 CB PHE A 422 -1.552 5.493 6.648 1.00 15.00 A C +ATOM 5141 HB1 PHE A 422 -2.629 5.501 6.687 1.00 15.00 A H +ATOM 5142 HB2 PHE A 422 -1.244 5.338 5.628 1.00 15.00 A H +ATOM 5143 CG PHE A 422 -1.061 6.845 7.084 1.00 15.00 A C +ATOM 5144 CD1 PHE A 422 -1.756 7.576 8.033 1.00 15.00 A C +ATOM 5145 HD1 PHE A 422 -2.657 7.163 8.460 1.00 15.00 A H +ATOM 5146 CD2 PHE A 422 0.102 7.384 6.545 1.00 15.00 A C +ATOM 5147 HD2 PHE A 422 0.652 6.825 5.803 1.00 15.00 A H +ATOM 5148 CE1 PHE A 422 -1.305 8.816 8.440 1.00 15.00 A C +ATOM 5149 HE1 PHE A 422 -1.865 9.381 9.165 1.00 15.00 A H +ATOM 5150 CE2 PHE A 422 0.556 8.626 6.948 1.00 15.00 A C +ATOM 5151 HE2 PHE A 422 1.457 9.039 6.518 1.00 15.00 A H +ATOM 5152 CZ PHE A 422 -0.146 9.340 7.900 1.00 15.00 A C +ATOM 5153 HZ PHE A 422 0.206 10.314 8.214 1.00 15.00 A H +ATOM 5154 C PHE A 422 0.478 4.410 7.613 1.00 15.00 A C +ATOM 5155 O PHE A 422 1.041 4.870 8.605 1.00 15.00 A O +ATOM 5156 N TYR A 423 1.109 3.933 6.563 1.00 15.00 A N +ATOM 5157 HN TYR A 423 0.581 3.540 5.836 1.00 15.00 A H +ATOM 5158 CA TYR A 423 2.549 3.938 6.445 1.00 15.00 A C +ATOM 5159 HA TYR A 423 2.963 4.450 7.297 1.00 15.00 A H +ATOM 5160 CB TYR A 423 3.067 2.491 6.414 1.00 15.00 A C +ATOM 5161 HB1 TYR A 423 2.711 1.969 7.289 1.00 15.00 A H +ATOM 5162 HB2 TYR A 423 4.148 2.497 6.420 1.00 15.00 A H +ATOM 5163 CG TYR A 423 2.609 1.716 5.192 1.00 15.00 A C +ATOM 5164 CD1 TYR A 423 1.495 0.882 5.235 1.00 15.00 A C +ATOM 5165 HD1 TYR A 423 0.958 0.764 6.160 1.00 15.00 A H +ATOM 5166 CD2 TYR A 423 3.286 1.838 3.985 1.00 15.00 A C +ATOM 5167 HD2 TYR A 423 4.157 2.474 3.938 1.00 15.00 A H +ATOM 5168 CE1 TYR A 423 1.072 0.200 4.109 1.00 15.00 A C +ATOM 5169 HE1 TYR A 423 0.198 -0.441 4.161 1.00 15.00 A H +ATOM 5170 CE2 TYR A 423 2.869 1.159 2.858 1.00 15.00 A C +ATOM 5171 HE2 TYR A 423 3.404 1.273 1.929 1.00 15.00 A H +ATOM 5172 CZ TYR A 423 1.765 0.343 2.925 1.00 15.00 A C +ATOM 5173 OH TYR A 423 1.343 -0.330 1.806 1.00 15.00 A O +ATOM 5174 HH TYR A 423 2.102 -0.648 1.314 1.00 15.00 A H +ATOM 5175 C TYR A 423 2.939 4.685 5.169 1.00 15.00 A C +ATOM 5176 O TYR A 423 2.204 4.651 4.180 1.00 15.00 A O +ATOM 5177 N VAL A 424 4.065 5.389 5.200 1.00 15.00 A N +ATOM 5178 HN VAL A 424 4.586 5.425 6.026 1.00 15.00 A H +ATOM 5179 CA VAL A 424 4.540 6.116 4.027 1.00 15.00 A C +ATOM 5180 HA VAL A 424 3.948 5.782 3.185 1.00 15.00 A H +ATOM 5181 CB VAL A 424 4.346 7.656 4.156 1.00 15.00 A C +ATOM 5182 HB VAL A 424 3.396 7.902 3.707 1.00 15.00 A H +ATOM 5183 CG1 VAL A 424 4.289 8.090 5.612 1.00 15.00 A C +ATOM 5184 HG11 VAL A 424 4.030 7.246 6.232 1.00 15.00 A H +ATOM 5185 HG12 VAL A 424 3.540 8.859 5.724 1.00 15.00 A H +ATOM 5186 HG13 VAL A 424 5.251 8.479 5.911 1.00 15.00 A H +ATOM 5187 CG2 VAL A 424 5.426 8.432 3.405 1.00 15.00 A C +ATOM 5188 HG21 VAL A 424 5.253 9.491 3.519 1.00 15.00 A H +ATOM 5189 HG22 VAL A 424 5.393 8.173 2.357 1.00 15.00 A H +ATOM 5190 HG23 VAL A 424 6.397 8.182 3.807 1.00 15.00 A H +ATOM 5191 C VAL A 424 5.994 5.757 3.732 1.00 15.00 A C +ATOM 5192 O VAL A 424 6.913 6.076 4.491 1.00 15.00 A O +ATOM 5193 N GLU A 425 6.174 5.045 2.628 1.00 15.00 A N +ATOM 5194 HN GLU A 425 5.389 4.803 2.091 1.00 15.00 A H +ATOM 5195 CA GLU A 425 7.485 4.608 2.187 1.00 15.00 A C +ATOM 5196 HA GLU A 425 7.961 4.110 3.010 1.00 15.00 A H +ATOM 5197 CB GLU A 425 7.347 3.621 1.025 1.00 15.00 A C +ATOM 5198 HB1 GLU A 425 6.574 3.969 0.352 1.00 15.00 A H +ATOM 5199 HB2 GLU A 425 7.059 2.658 1.417 1.00 15.00 A H +ATOM 5200 CG GLU A 425 8.624 3.445 0.226 1.00 15.00 A C +ATOM 5201 HG1 GLU A 425 9.329 2.887 0.822 1.00 15.00 A H +ATOM 5202 HG2 GLU A 425 9.031 4.419 0.008 1.00 15.00 A H +ATOM 5203 CD GLU A 425 8.402 2.709 -1.078 1.00 15.00 A C +ATOM 5204 OE1 GLU A 425 7.557 3.160 -1.875 1.00 15.00 A O +ATOM 5205 OE2 GLU A 425 9.078 1.685 -1.302 1.00 15.00 A O +ATOM 5206 C GLU A 425 8.353 5.784 1.758 1.00 15.00 A C +ATOM 5207 O GLU A 425 7.938 6.607 0.951 1.00 15.00 A O +ATOM 5208 N LEU A 426 9.551 5.862 2.321 1.00 15.00 A N +ATOM 5209 HN LEU A 426 9.803 5.199 2.996 1.00 15.00 A H +ATOM 5210 CA LEU A 426 10.500 6.915 1.967 1.00 15.00 A C +ATOM 5211 HA LEU A 426 9.979 7.650 1.379 1.00 15.00 A H +ATOM 5212 CB LEU A 426 11.088 7.581 3.215 1.00 15.00 A C +ATOM 5213 HB1 LEU A 426 11.385 8.587 2.950 1.00 15.00 A H +ATOM 5214 HB2 LEU A 426 11.973 7.030 3.504 1.00 15.00 A H +ATOM 5215 CG LEU A 426 10.155 7.663 4.423 1.00 15.00 A C +ATOM 5216 HG LEU A 426 9.625 6.727 4.517 1.00 15.00 A H +ATOM 5217 CD1 LEU A 426 10.950 7.882 5.696 1.00 15.00 A C +ATOM 5218 HD11 LEU A 426 11.609 7.043 5.858 1.00 15.00 A H +ATOM 5219 HD12 LEU A 426 10.273 7.974 6.531 1.00 15.00 A H +ATOM 5220 HD13 LEU A 426 11.535 8.787 5.605 1.00 15.00 A H +ATOM 5221 CD2 LEU A 426 9.133 8.771 4.244 1.00 15.00 A C +ATOM 5222 HD21 LEU A 426 8.447 8.761 5.078 1.00 15.00 A H +ATOM 5223 HD22 LEU A 426 8.585 8.612 3.327 1.00 15.00 A H +ATOM 5224 HD23 LEU A 426 9.635 9.725 4.202 1.00 15.00 A H +ATOM 5225 C LEU A 426 11.623 6.318 1.133 1.00 15.00 A C +ATOM 5226 O LEU A 426 12.629 5.854 1.676 1.00 15.00 A O +ATOM 5227 N ILE A 427 11.447 6.322 -0.185 1.00 15.00 A N +ATOM 5228 HN ILE A 427 10.630 6.713 -0.558 1.00 15.00 A H +ATOM 5229 CA ILE A 427 12.444 5.742 -1.077 1.00 15.00 A C +ATOM 5230 HA ILE A 427 12.814 4.858 -0.585 1.00 15.00 A H +ATOM 5231 CB ILE A 427 11.847 5.292 -2.447 1.00 15.00 A C +ATOM 5232 HB ILE A 427 12.061 4.239 -2.566 1.00 15.00 A H +ATOM 5233 CG1 ILE A 427 12.468 6.061 -3.629 1.00 15.00 A C +ATOM 5234 HG11 ILE A 427 12.949 6.954 -3.256 1.00 15.00 A H +ATOM 5235 HG12 ILE A 427 11.682 6.341 -4.314 1.00 15.00 A H +ATOM 5236 CG2 ILE A 427 10.337 5.460 -2.458 1.00 15.00 A C +ATOM 5237 HG21 ILE A 427 9.900 4.819 -1.707 1.00 15.00 A H +ATOM 5238 HG22 ILE A 427 9.954 5.189 -3.429 1.00 15.00 A H +ATOM 5239 HG23 ILE A 427 10.086 6.488 -2.246 1.00 15.00 A H +ATOM 5240 CD1 ILE A 427 13.500 5.279 -4.422 1.00 15.00 A C +ATOM 5241 HD11 ILE A 427 14.285 4.942 -3.760 1.00 15.00 A H +ATOM 5242 HD12 ILE A 427 13.924 5.919 -5.182 1.00 15.00 A H +ATOM 5243 HD13 ILE A 427 13.031 4.426 -4.891 1.00 15.00 A H +ATOM 5244 C ILE A 427 13.634 6.664 -1.305 1.00 15.00 A C +ATOM 5245 O ILE A 427 13.507 7.880 -1.456 1.00 15.00 A O +ATOM 5246 N ARG A 428 14.783 6.029 -1.292 1.00 15.00 A N +ATOM 5247 HN ARG A 428 14.779 5.065 -1.104 1.00 15.00 A H +ATOM 5248 CA ARG A 428 16.060 6.666 -1.521 1.00 15.00 A C +ATOM 5249 HA ARG A 428 15.903 7.686 -1.833 1.00 15.00 A H +ATOM 5250 CB ARG A 428 16.881 6.625 -0.224 1.00 15.00 A C +ATOM 5251 HB1 ARG A 428 17.885 6.959 -0.442 1.00 15.00 A H +ATOM 5252 HB2 ARG A 428 16.920 5.601 0.117 1.00 15.00 A H +ATOM 5253 CG ARG A 428 16.329 7.470 0.915 1.00 15.00 A C +ATOM 5254 HG1 ARG A 428 16.954 7.337 1.783 1.00 15.00 A H +ATOM 5255 HG2 ARG A 428 15.324 7.141 1.142 1.00 15.00 A H +ATOM 5256 CD ARG A 428 16.295 8.933 0.548 1.00 15.00 A C +ATOM 5257 HD1 ARG A 428 15.296 9.182 0.225 1.00 15.00 A H +ATOM 5258 HD2 ARG A 428 16.978 9.105 -0.261 1.00 15.00 A H +ATOM 5259 NE ARG A 428 16.644 9.805 1.668 1.00 15.00 A N +ATOM 5260 HE ARG A 428 16.067 9.781 2.462 1.00 15.00 A H +ATOM 5261 CZ ARG A 428 17.708 10.600 1.679 1.00 15.00 A C +ATOM 5262 NH1 ARG A 428 18.540 10.613 0.648 1.00 15.00 A N +ATOM 5263 HH11 ARG A 428 19.362 11.245 0.645 1.00 15.00 A H +ATOM 5264 HH12 ARG A 428 18.386 9.976 -0.153 1.00 15.00 A H +ATOM 5265 NH2 ARG A 428 17.922 11.404 2.712 1.00 15.00 A N +ATOM 5266 HH21 ARG A 428 17.263 11.400 3.522 1.00 15.00 A H +ATOM 5267 HH22 ARG A 428 18.751 12.033 2.719 1.00 15.00 A H +ATOM 5268 C ARG A 428 16.786 5.886 -2.606 1.00 15.00 A C +ATOM 5269 O ARG A 428 16.465 4.725 -2.835 1.00 15.00 A O +ATOM 5270 N GLY A 429 17.725 6.488 -3.309 1.00 15.00 A N +ATOM 5271 HN GLY A 429 17.952 7.434 -3.157 1.00 15.00 A H +ATOM 5272 CA GLY A 429 18.416 5.693 -4.276 1.00 15.00 A C +ATOM 5273 HA1 GLY A 429 17.881 4.770 -4.411 1.00 15.00 A H +ATOM 5274 HA2 GLY A 429 19.405 5.467 -3.885 1.00 15.00 A H +ATOM 5275 C GLY A 429 18.611 6.300 -5.618 1.00 15.00 A C +ATOM 5276 O GLY A 429 18.854 7.478 -5.741 1.00 15.00 A O +ATOM 5277 N ARG A 430 18.396 5.488 -6.629 1.00 15.00 A N +ATOM 5278 HN ARG A 430 17.997 4.607 -6.467 1.00 15.00 A H +ATOM 5279 CA ARG A 430 18.711 5.903 -7.977 1.00 15.00 A C +ATOM 5280 HA ARG A 430 19.268 6.823 -7.889 1.00 15.00 A H +ATOM 5281 CB ARG A 430 19.665 4.876 -8.523 1.00 15.00 A C +ATOM 5282 HB1 ARG A 430 19.331 4.518 -9.475 1.00 15.00 A H +ATOM 5283 HB2 ARG A 430 19.734 4.042 -7.816 1.00 15.00 A H +ATOM 5284 CG ARG A 430 21.028 5.467 -8.637 1.00 15.00 A C +ATOM 5285 HG1 ARG A 430 21.683 4.970 -7.930 1.00 15.00 A H +ATOM 5286 HG2 ARG A 430 20.964 6.510 -8.375 1.00 15.00 A H +ATOM 5287 CD ARG A 430 21.622 5.372 -10.011 1.00 15.00 A C +ATOM 5288 HD1 ARG A 430 20.948 5.824 -10.727 1.00 15.00 A H +ATOM 5289 HD2 ARG A 430 21.790 4.334 -10.264 1.00 15.00 A H +ATOM 5290 NE ARG A 430 22.876 6.093 -10.015 1.00 15.00 A N +ATOM 5291 HE ARG A 430 23.159 6.517 -9.178 1.00 15.00 A H +ATOM 5292 CZ ARG A 430 23.636 6.209 -11.068 1.00 15.00 A C +ATOM 5293 NH1 ARG A 430 23.245 5.656 -12.201 1.00 15.00 A N +ATOM 5294 HH11 ARG A 430 23.827 5.731 -13.050 1.00 15.00 A H +ATOM 5295 HH12 ARG A 430 22.341 5.138 -12.224 1.00 15.00 A H +ATOM 5296 NH2 ARG A 430 24.794 6.849 -10.976 1.00 15.00 A N +ATOM 5297 HH21 ARG A 430 25.087 7.265 -10.065 1.00 15.00 A H +ATOM 5298 HH22 ARG A 430 25.404 6.953 -11.812 1.00 15.00 A H +ATOM 5299 C ARG A 430 17.534 6.156 -8.918 1.00 15.00 A C +ATOM 5300 O ARG A 430 16.497 5.509 -8.833 1.00 15.00 A O +ATOM 5301 N LYS A 431 17.790 7.146 -9.793 1.00 15.00 A N +ATOM 5302 HN LYS A 431 18.655 7.586 -9.684 1.00 15.00 A H +ATOM 5303 CA LYS A 431 16.878 7.699 -10.830 1.00 15.00 A C +ATOM 5304 HA LYS A 431 17.484 7.778 -11.749 1.00 15.00 A H +ATOM 5305 CB LYS A 431 15.665 6.789 -11.158 1.00 15.00 A C +ATOM 5306 HB1 LYS A 431 14.928 7.358 -11.709 1.00 15.00 A H +ATOM 5307 HB2 LYS A 431 15.220 6.395 -10.239 1.00 15.00 A H +ATOM 5308 CG LYS A 431 16.074 5.619 -12.004 1.00 15.00 A C +ATOM 5309 HG1 LYS A 431 16.019 4.730 -11.411 1.00 15.00 A H +ATOM 5310 HG2 LYS A 431 17.092 5.787 -12.323 1.00 15.00 A H +ATOM 5311 CD LYS A 431 15.226 5.446 -13.232 1.00 15.00 A C +ATOM 5312 HD1 LYS A 431 15.107 6.396 -13.741 1.00 15.00 A H +ATOM 5313 HD2 LYS A 431 14.262 5.039 -12.954 1.00 15.00 A H +ATOM 5314 CE LYS A 431 15.959 4.479 -14.129 1.00 15.00 A C +ATOM 5315 HE1 LYS A 431 16.439 3.743 -13.498 1.00 15.00 A H +ATOM 5316 HE2 LYS A 431 16.715 5.027 -14.671 1.00 15.00 A H +ATOM 5317 NZ LYS A 431 15.078 3.780 -15.096 1.00 15.00 A N +ATOM 5318 HZ1 LYS A 431 14.308 3.306 -14.594 1.00 15.00 A H +ATOM 5319 HZ2 LYS A 431 15.633 3.076 -15.620 1.00 15.00 A H +ATOM 5320 HZ3 LYS A 431 14.681 4.467 -15.769 1.00 15.00 A H +ATOM 5321 C LYS A 431 16.504 9.139 -10.442 1.00 15.00 A C +ATOM 5322 O LYS A 431 16.286 9.990 -11.310 1.00 15.00 A O +ATOM 5323 N GLN A 432 16.458 9.414 -9.116 1.00 15.00 A N +ATOM 5324 HN GLN A 432 16.587 8.677 -8.476 1.00 15.00 A H +ATOM 5325 CA GLN A 432 16.256 10.786 -8.606 1.00 15.00 A C +ATOM 5326 HA GLN A 432 16.045 11.427 -9.459 1.00 15.00 A H +ATOM 5327 CB GLN A 432 15.146 10.963 -7.524 1.00 15.00 A C +ATOM 5328 HB1 GLN A 432 15.463 10.450 -6.628 1.00 15.00 A H +ATOM 5329 HB2 GLN A 432 14.224 10.508 -7.881 1.00 15.00 A H +ATOM 5330 CG GLN A 432 14.886 12.462 -7.173 1.00 15.00 A C +ATOM 5331 HG1 GLN A 432 14.858 13.032 -8.091 1.00 15.00 A H +ATOM 5332 HG2 GLN A 432 15.718 12.810 -6.578 1.00 15.00 A H +ATOM 5333 CD GLN A 432 13.594 12.768 -6.378 1.00 15.00 A C +ATOM 5334 OE1 GLN A 432 12.610 12.037 -6.462 1.00 15.00 A O +ATOM 5335 NE2 GLN A 432 13.582 13.885 -5.612 1.00 15.00 A N +ATOM 5336 HE21 GLN A 432 14.384 14.448 -5.587 1.00 15.00 A H +ATOM 5337 HE22 GLN A 432 12.760 14.095 -5.108 1.00 15.00 A H +ATOM 5338 C GLN A 432 17.594 11.208 -7.997 1.00 15.00 A C +ATOM 5339 O GLN A 432 18.123 12.277 -8.297 1.00 15.00 A O +ATOM 5340 N GLU A 433 18.120 10.348 -7.104 1.00 15.00 A N +ATOM 5341 HN GLU A 433 17.590 9.564 -6.830 1.00 15.00 A H +ATOM 5342 CA GLU A 433 19.434 10.568 -6.479 1.00 15.00 A C +ATOM 5343 HA GLU A 433 19.656 11.620 -6.562 1.00 15.00 A H +ATOM 5344 CB GLU A 433 19.363 10.187 -4.985 1.00 15.00 A C +ATOM 5345 HB1 GLU A 433 20.303 10.422 -4.511 1.00 15.00 A H +ATOM 5346 HB2 GLU A 433 19.174 9.125 -4.901 1.00 15.00 A H +ATOM 5347 CG GLU A 433 18.250 10.928 -4.247 1.00 15.00 A C +ATOM 5348 HG1 GLU A 433 17.297 10.537 -4.580 1.00 15.00 A H +ATOM 5349 HG2 GLU A 433 18.306 11.977 -4.495 1.00 15.00 A H +ATOM 5350 CD GLU A 433 18.322 10.788 -2.742 1.00 15.00 A C +ATOM 5351 OE1 GLU A 433 18.935 11.662 -2.091 1.00 15.00 A O +ATOM 5352 OE2 GLU A 433 17.754 9.811 -2.209 1.00 15.00 A O +ATOM 5353 C GLU A 433 20.500 9.764 -7.271 1.00 15.00 A C +ATOM 5354 O GLU A 433 20.450 8.545 -7.367 1.00 15.00 A O +ATOM 5355 N THR A 434 21.466 10.466 -7.855 1.00 15.00 A N +ATOM 5356 HN THR A 434 21.508 11.433 -7.713 1.00 15.00 A H +ATOM 5357 CA THR A 434 22.464 9.825 -8.731 1.00 15.00 A C +ATOM 5358 HA THR A 434 22.019 8.918 -9.120 1.00 15.00 A H +ATOM 5359 CB THR A 434 22.714 10.769 -9.936 1.00 15.00 A C +ATOM 5360 HB THR A 434 22.991 11.732 -9.541 1.00 15.00 A H +ATOM 5361 OG1 THR A 434 21.506 10.915 -10.690 1.00 15.00 A O +ATOM 5362 HG1 THR A 434 21.075 10.064 -10.779 1.00 15.00 A H +ATOM 5363 CG2 THR A 434 23.827 10.284 -10.859 1.00 15.00 A C +ATOM 5364 HG21 THR A 434 24.764 10.291 -10.325 1.00 15.00 A H +ATOM 5365 HG22 THR A 434 23.894 10.948 -11.709 1.00 15.00 A H +ATOM 5366 HG23 THR A 434 23.609 9.283 -11.199 1.00 15.00 A H +ATOM 5367 C THR A 434 23.812 9.455 -8.067 1.00 15.00 A C +ATOM 5368 O THR A 434 24.594 8.701 -8.654 1.00 15.00 A O +ATOM 5369 N ARG A 435 24.092 9.910 -6.846 1.00 15.00 A N +ATOM 5370 HN ARG A 435 23.420 10.424 -6.344 1.00 15.00 A H +ATOM 5371 CA ARG A 435 25.398 9.608 -6.239 1.00 15.00 A C +ATOM 5372 HA ARG A 435 26.139 9.889 -6.970 1.00 15.00 A H +ATOM 5373 CB ARG A 435 25.656 10.425 -4.969 1.00 15.00 A C +ATOM 5374 HB1 ARG A 435 25.222 9.910 -4.126 1.00 15.00 A H +ATOM 5375 HB2 ARG A 435 25.193 11.393 -5.077 1.00 15.00 A H +ATOM 5376 CG ARG A 435 27.150 10.628 -4.691 1.00 15.00 A C +ATOM 5377 HG1 ARG A 435 27.554 11.304 -5.430 1.00 15.00 A H +ATOM 5378 HG2 ARG A 435 27.648 9.676 -4.774 1.00 15.00 A H +ATOM 5379 CD ARG A 435 27.413 11.198 -3.307 1.00 15.00 A C +ATOM 5380 HD1 ARG A 435 26.713 12.006 -3.126 1.00 15.00 A H +ATOM 5381 HD2 ARG A 435 28.425 11.587 -3.279 1.00 15.00 A H +ATOM 5382 NE ARG A 435 27.263 10.201 -2.250 1.00 15.00 A N +ATOM 5383 HE ARG A 435 26.354 10.020 -1.933 1.00 15.00 A H +ATOM 5384 CZ ARG A 435 28.273 9.515 -1.706 1.00 15.00 A C +ATOM 5385 NH1 ARG A 435 29.522 9.709 -2.111 1.00 15.00 A N +ATOM 5386 HH11 ARG A 435 29.727 10.394 -2.854 1.00 15.00 A H +ATOM 5387 HH12 ARG A 435 30.294 9.157 -1.689 1.00 15.00 A H +ATOM 5388 NH2 ARG A 435 28.039 8.671 -0.716 1.00 15.00 A N +ATOM 5389 HH21 ARG A 435 28.825 8.137 -0.287 1.00 15.00 A H +ATOM 5390 HH22 ARG A 435 27.066 8.533 -0.364 1.00 15.00 A H +ATOM 5391 C ARG A 435 25.589 8.113 -5.951 1.00 15.00 A C +ATOM 5392 O ARG A 435 26.705 7.601 -6.047 1.00 15.00 A O +ATOM 5393 N VAL A 436 24.516 7.417 -5.592 1.00 15.00 A N +ATOM 5394 HN VAL A 436 23.652 7.870 -5.505 1.00 15.00 A H +ATOM 5395 CA VAL A 436 24.604 5.983 -5.313 1.00 15.00 A C +ATOM 5396 HA VAL A 436 25.647 5.728 -5.217 1.00 15.00 A H +ATOM 5397 CB VAL A 436 23.894 5.622 -3.996 1.00 15.00 A C +ATOM 5398 HB VAL A 436 24.010 4.561 -3.830 1.00 15.00 A H +ATOM 5399 CG1 VAL A 436 24.551 6.356 -2.835 1.00 15.00 A C +ATOM 5400 HG11 VAL A 436 24.113 6.030 -1.905 1.00 15.00 A H +ATOM 5401 HG12 VAL A 436 24.398 7.419 -2.950 1.00 15.00 A H +ATOM 5402 HG13 VAL A 436 25.609 6.145 -2.829 1.00 15.00 A H +ATOM 5403 CG2 VAL A 436 22.402 5.936 -4.061 1.00 15.00 A C +ATOM 5404 HG21 VAL A 436 21.963 5.794 -3.084 1.00 15.00 A H +ATOM 5405 HG22 VAL A 436 21.925 5.275 -4.769 1.00 15.00 A H +ATOM 5406 HG23 VAL A 436 22.261 6.962 -4.371 1.00 15.00 A H +ATOM 5407 C VAL A 436 24.016 5.183 -6.467 1.00 15.00 A C +ATOM 5408 O VAL A 436 23.433 5.765 -7.359 1.00 15.00 A O +ATOM 5409 N TRP A 437 24.187 3.856 -6.457 1.00 15.00 A N +ATOM 5410 HN TRP A 437 24.685 3.444 -5.720 1.00 15.00 A H +ATOM 5411 CA TRP A 437 23.669 3.007 -7.538 1.00 15.00 A C +ATOM 5412 HA TRP A 437 23.304 3.651 -8.320 1.00 15.00 A H +ATOM 5413 CB TRP A 437 24.795 2.140 -8.114 1.00 15.00 A C +ATOM 5414 HB1 TRP A 437 24.378 1.453 -8.837 1.00 15.00 A H +ATOM 5415 HB2 TRP A 437 25.249 1.571 -7.314 1.00 15.00 A H +ATOM 5416 CG TRP A 437 25.879 2.930 -8.794 1.00 15.00 A C +ATOM 5417 CD1 TRP A 437 26.994 3.469 -8.213 1.00 15.00 A C +ATOM 5418 HD1 TRP A 437 27.216 3.406 -7.159 1.00 15.00 A H +ATOM 5419 CD2 TRP A 437 25.964 3.245 -10.190 1.00 15.00 A C +ATOM 5420 NE1 TRP A 437 27.757 4.113 -9.156 1.00 15.00 A N +ATOM 5421 HE1 TRP A 437 28.597 4.582 -8.986 1.00 15.00 A H +ATOM 5422 CE2 TRP A 437 27.153 3.978 -10.381 1.00 15.00 A C +ATOM 5423 CE3 TRP A 437 25.157 2.969 -11.300 1.00 15.00 A C +ATOM 5424 HE3 TRP A 437 24.240 2.409 -11.196 1.00 15.00 A H +ATOM 5425 CZ2 TRP A 437 27.543 4.451 -11.639 1.00 15.00 A C +ATOM 5426 HZ2 TRP A 437 28.451 5.017 -11.781 1.00 15.00 A H +ATOM 5427 CZ3 TRP A 437 25.544 3.436 -12.542 1.00 15.00 A C +ATOM 5428 HZ3 TRP A 437 24.927 3.239 -13.408 1.00 15.00 A H +ATOM 5429 CH2 TRP A 437 26.731 4.164 -12.706 1.00 15.00 A C +ATOM 5430 HH2 TRP A 437 26.993 4.507 -13.695 1.00 15.00 A H +ATOM 5431 C TRP A 437 22.525 2.106 -7.070 1.00 15.00 A C +ATOM 5432 O TRP A 437 21.935 1.377 -7.869 1.00 15.00 A O +ATOM 5433 N TRP A 438 22.207 2.166 -5.786 1.00 15.00 A N +ATOM 5434 HN TRP A 438 22.697 2.778 -5.193 1.00 15.00 A H +ATOM 5435 CA TRP A 438 21.145 1.333 -5.238 1.00 15.00 A C +ATOM 5436 HA TRP A 438 21.009 0.489 -5.906 1.00 15.00 A H +ATOM 5437 CB TRP A 438 21.554 0.807 -3.858 1.00 15.00 A C +ATOM 5438 HB1 TRP A 438 22.290 0.030 -3.989 1.00 15.00 A H +ATOM 5439 HB2 TRP A 438 20.688 0.396 -3.378 1.00 15.00 A H +ATOM 5440 CG TRP A 438 22.140 1.848 -2.947 1.00 15.00 A C +ATOM 5441 CD1 TRP A 438 23.467 2.137 -2.782 1.00 15.00 A C +ATOM 5442 HD1 TRP A 438 24.269 1.619 -3.292 1.00 15.00 A H +ATOM 5443 CD2 TRP A 438 21.424 2.755 -2.097 1.00 15.00 A C +ATOM 5444 NE1 TRP A 438 23.617 3.162 -1.884 1.00 15.00 A N +ATOM 5445 HE1 TRP A 438 24.468 3.549 -1.600 1.00 15.00 A H +ATOM 5446 CE2 TRP A 438 22.377 3.560 -1.449 1.00 15.00 A C +ATOM 5447 CE3 TRP A 438 20.070 2.968 -1.827 1.00 15.00 A C +ATOM 5448 HE3 TRP A 438 19.311 2.375 -2.310 1.00 15.00 A H +ATOM 5449 CZ2 TRP A 438 22.017 4.559 -0.544 1.00 15.00 A C +ATOM 5450 HZ2 TRP A 438 22.755 5.178 -0.046 1.00 15.00 A H +ATOM 5451 CZ3 TRP A 438 19.714 3.958 -0.934 1.00 15.00 A C +ATOM 5452 HZ3 TRP A 438 18.670 4.138 -0.716 1.00 15.00 A H +ATOM 5453 CH2 TRP A 438 20.684 4.747 -0.302 1.00 15.00 A C +ATOM 5454 HH2 TRP A 438 20.358 5.512 0.387 1.00 15.00 A H +ATOM 5455 C TRP A 438 19.823 2.085 -5.127 1.00 15.00 A C +ATOM 5456 O TRP A 438 19.778 3.299 -5.279 1.00 15.00 A O +ATOM 5457 N THR A 439 18.751 1.337 -4.868 1.00 15.00 A N +ATOM 5458 HN THR A 439 18.867 0.367 -4.796 1.00 15.00 A H +ATOM 5459 CA THR A 439 17.413 1.894 -4.685 1.00 15.00 A C +ATOM 5460 HA THR A 439 17.513 2.944 -4.465 1.00 15.00 A H +ATOM 5461 CB THR A 439 16.522 1.728 -5.937 1.00 15.00 A C +ATOM 5462 HB THR A 439 16.360 0.673 -6.109 1.00 15.00 A H +ATOM 5463 OG1 THR A 439 17.166 2.294 -7.084 1.00 15.00 A O +ATOM 5464 HG1 THR A 439 16.731 1.979 -7.880 1.00 15.00 A H +ATOM 5465 CG2 THR A 439 15.171 2.400 -5.729 1.00 15.00 A C +ATOM 5466 HG21 THR A 439 14.754 2.080 -4.784 1.00 15.00 A H +ATOM 5467 HG22 THR A 439 14.504 2.123 -6.528 1.00 15.00 A H +ATOM 5468 HG23 THR A 439 15.299 3.473 -5.719 1.00 15.00 A H +ATOM 5469 C THR A 439 16.740 1.198 -3.510 1.00 15.00 A C +ATOM 5470 O THR A 439 16.409 0.015 -3.589 1.00 15.00 A O +ATOM 5471 N SER A 440 16.533 1.930 -2.424 1.00 15.00 A N +ATOM 5472 HN SER A 440 16.776 2.881 -2.429 1.00 15.00 A H +ATOM 5473 CA SER A 440 15.942 1.348 -1.229 1.00 15.00 A C +ATOM 5474 HA SER A 440 15.444 0.437 -1.519 1.00 15.00 A H +ATOM 5475 CB SER A 440 17.055 1.007 -0.240 1.00 15.00 A C +ATOM 5476 HB1 SER A 440 17.328 1.894 0.316 1.00 15.00 A H +ATOM 5477 HB2 SER A 440 17.915 0.643 -0.786 1.00 15.00 A H +ATOM 5478 OG SER A 440 16.637 0.007 0.668 1.00 15.00 A O +ATOM 5479 HG SER A 440 16.345 -0.764 0.177 1.00 15.00 A H +ATOM 5480 C SER A 440 14.924 2.277 -0.581 1.00 15.00 A C +ATOM 5481 O SER A 440 14.569 3.308 -1.143 1.00 15.00 A O +ATOM 5482 N ASN A 441 14.443 1.888 0.596 1.00 15.00 A N +ATOM 5483 HN ASN A 441 14.745 1.038 0.981 1.00 15.00 A H +ATOM 5484 CA ASN A 441 13.467 2.686 1.314 1.00 15.00 A C +ATOM 5485 HA ASN A 441 13.684 3.724 1.118 1.00 15.00 A H +ATOM 5486 CB ASN A 441 12.051 2.383 0.807 1.00 15.00 A C +ATOM 5487 HB1 ASN A 441 12.073 2.279 -0.268 1.00 15.00 A H +ATOM 5488 HB2 ASN A 441 11.400 3.200 1.072 1.00 15.00 A H +ATOM 5489 CG ASN A 441 11.468 1.112 1.399 1.00 15.00 A C +ATOM 5490 OD1 ASN A 441 11.785 0.012 0.973 1.00 15.00 A O +ATOM 5491 ND2 ASN A 441 10.602 1.265 2.388 1.00 15.00 A N +ATOM 5492 HD21 ASN A 441 10.389 2.176 2.675 1.00 15.00 A H +ATOM 5493 HD22 ASN A 441 10.210 0.462 2.790 1.00 15.00 A H +ATOM 5494 C ASN A 441 13.532 2.451 2.818 1.00 15.00 A C +ATOM 5495 O ASN A 441 14.166 1.513 3.304 1.00 15.00 A O +ATOM 5496 N SER A 442 12.858 3.337 3.524 1.00 15.00 A N +ATOM 5497 HN SER A 442 12.406 4.059 3.042 1.00 15.00 A H +ATOM 5498 CA SER A 442 12.729 3.293 4.968 1.00 15.00 A C +ATOM 5499 HA SER A 442 12.914 2.283 5.303 1.00 15.00 A H +ATOM 5500 CB SER A 442 13.701 4.266 5.638 1.00 15.00 A C +ATOM 5501 HB1 SER A 442 14.596 4.340 5.040 1.00 15.00 A H +ATOM 5502 HB2 SER A 442 13.957 3.899 6.621 1.00 15.00 A H +ATOM 5503 OG SER A 442 13.132 5.557 5.766 1.00 15.00 A O +ATOM 5504 HG SER A 442 13.710 6.111 6.292 1.00 15.00 A H +ATOM 5505 C SER A 442 11.292 3.671 5.263 1.00 15.00 A C +ATOM 5506 O SER A 442 10.635 4.251 4.399 1.00 15.00 A O +ATOM 5507 N ILE A 443 10.773 3.372 6.438 1.00 15.00 A N +ATOM 5508 HN ILE A 443 11.315 2.943 7.135 1.00 15.00 A H +ATOM 5509 CA ILE A 443 9.376 3.702 6.668 1.00 15.00 A C +ATOM 5510 HA ILE A 443 9.056 4.289 5.818 1.00 15.00 A H +ATOM 5511 CB ILE A 443 8.483 2.446 6.714 1.00 15.00 A C +ATOM 5512 HB ILE A 443 7.463 2.762 6.565 1.00 15.00 A H +ATOM 5513 CG1 ILE A 443 8.600 1.745 8.074 1.00 15.00 A C +ATOM 5514 HG11 ILE A 443 8.591 2.492 8.856 1.00 15.00 A H +ATOM 5515 HG12 ILE A 443 9.531 1.203 8.111 1.00 15.00 A H +ATOM 5516 CG2 ILE A 443 8.851 1.495 5.588 1.00 15.00 A C +ATOM 5517 HG21 ILE A 443 9.226 0.572 6.003 1.00 15.00 A H +ATOM 5518 HG22 ILE A 443 9.616 1.949 4.971 1.00 15.00 A H +ATOM 5519 HG23 ILE A 443 7.980 1.295 4.988 1.00 15.00 A H +ATOM 5520 CD1 ILE A 443 7.484 0.762 8.363 1.00 15.00 A C +ATOM 5521 HD11 ILE A 443 7.750 0.160 9.216 1.00 15.00 A H +ATOM 5522 HD12 ILE A 443 7.333 0.126 7.502 1.00 15.00 A H +ATOM 5523 HD13 ILE A 443 6.575 1.305 8.572 1.00 15.00 A H +ATOM 5524 C ILE A 443 9.106 4.516 7.915 1.00 15.00 A C +ATOM 5525 O ILE A 443 9.846 4.490 8.901 1.00 15.00 A O +ATOM 5526 N VAL A 444 8.001 5.235 7.823 1.00 15.00 A N +ATOM 5527 HN VAL A 444 7.509 5.215 6.975 1.00 15.00 A H +ATOM 5528 CA VAL A 444 7.471 6.050 8.892 1.00 15.00 A C +ATOM 5529 HA VAL A 444 7.891 5.699 9.825 1.00 15.00 A H +ATOM 5530 CB VAL A 444 7.813 7.549 8.707 1.00 15.00 A C +ATOM 5531 HB VAL A 444 8.869 7.621 8.490 1.00 15.00 A H +ATOM 5532 CG1 VAL A 444 7.058 8.150 7.533 1.00 15.00 A C +ATOM 5533 HG11 VAL A 444 7.122 7.481 6.686 1.00 15.00 A H +ATOM 5534 HG12 VAL A 444 7.493 9.101 7.273 1.00 15.00 A H +ATOM 5535 HG13 VAL A 444 6.019 8.287 7.804 1.00 15.00 A H +ATOM 5536 CG2 VAL A 444 7.545 8.328 9.986 1.00 15.00 A C +ATOM 5537 HG21 VAL A 444 6.597 8.028 10.405 1.00 15.00 A H +ATOM 5538 HG22 VAL A 444 7.520 9.386 9.765 1.00 15.00 A H +ATOM 5539 HG23 VAL A 444 8.333 8.130 10.699 1.00 15.00 A H +ATOM 5540 C VAL A 444 5.960 5.814 8.902 1.00 15.00 A C +ATOM 5541 O VAL A 444 5.302 5.893 7.864 1.00 15.00 A O +ATOM 5542 N VAL A 445 5.414 5.464 10.048 1.00 15.00 A N +ATOM 5543 HN VAL A 445 5.967 5.403 10.859 1.00 15.00 A H +ATOM 5544 CA VAL A 445 3.996 5.163 10.116 1.00 15.00 A C +ATOM 5545 HA VAL A 445 3.565 5.448 9.171 1.00 15.00 A H +ATOM 5546 CB VAL A 445 3.776 3.633 10.285 1.00 15.00 A C +ATOM 5547 HB VAL A 445 3.630 3.208 9.300 1.00 15.00 A H +ATOM 5548 CG1 VAL A 445 5.002 2.973 10.897 1.00 15.00 A C +ATOM 5549 HG11 VAL A 445 4.804 2.741 11.930 1.00 15.00 A H +ATOM 5550 HG12 VAL A 445 5.843 3.648 10.833 1.00 15.00 A H +ATOM 5551 HG13 VAL A 445 5.229 2.066 10.358 1.00 15.00 A H +ATOM 5552 CG2 VAL A 445 2.541 3.323 11.117 1.00 15.00 A C +ATOM 5553 HG21 VAL A 445 1.659 3.649 10.584 1.00 15.00 A H +ATOM 5554 HG22 VAL A 445 2.607 3.845 12.057 1.00 15.00 A H +ATOM 5555 HG23 VAL A 445 2.484 2.261 11.296 1.00 15.00 A H +ATOM 5556 C VAL A 445 3.285 5.951 11.210 1.00 15.00 A C +ATOM 5557 O VAL A 445 3.846 6.215 12.273 1.00 15.00 A O +ATOM 5558 N PHE A 446 2.046 6.346 10.907 1.00 15.00 A N +ATOM 5559 HN PHE A 446 1.688 6.125 10.022 1.00 15.00 A H +ATOM 5560 CA PHE A 446 1.207 7.092 11.838 1.00 15.00 A C +ATOM 5561 HA PHE A 446 1.725 7.152 12.778 1.00 15.00 A H +ATOM 5562 CB PHE A 446 0.928 8.509 11.326 1.00 15.00 A C +ATOM 5563 HB1 PHE A 446 0.075 8.901 11.862 1.00 15.00 A H +ATOM 5564 HB2 PHE A 446 0.696 8.463 10.274 1.00 15.00 A H +ATOM 5565 CG PHE A 446 2.068 9.473 11.503 1.00 15.00 A C +ATOM 5566 CD1 PHE A 446 3.329 9.191 10.996 1.00 15.00 A C +ATOM 5567 HD1 PHE A 446 3.492 8.261 10.469 1.00 15.00 A H +ATOM 5568 CD2 PHE A 446 1.875 10.671 12.175 1.00 15.00 A C +ATOM 5569 HD2 PHE A 446 0.899 10.902 12.572 1.00 15.00 A H +ATOM 5570 CE1 PHE A 446 4.370 10.078 11.160 1.00 15.00 A C +ATOM 5571 HE1 PHE A 446 5.340 9.850 10.750 1.00 15.00 A H +ATOM 5572 CE2 PHE A 446 2.916 11.564 12.338 1.00 15.00 A C +ATOM 5573 HE2 PHE A 446 2.752 12.498 12.853 1.00 15.00 A H +ATOM 5574 CZ PHE A 446 4.165 11.266 11.833 1.00 15.00 A C +ATOM 5575 HZ PHE A 446 4.980 11.965 11.957 1.00 15.00 A H +ATOM 5576 C PHE A 446 -0.121 6.373 12.043 1.00 15.00 A C +ATOM 5577 O PHE A 446 -0.587 5.649 11.166 1.00 15.00 A O +ATOM 5578 N CYS A 447 -0.728 6.580 13.203 1.00 15.00 A N +ATOM 5579 HN CYS A 447 -0.305 7.169 13.865 1.00 15.00 A H +ATOM 5580 CA CYS A 447 -2.008 5.959 13.519 1.00 15.00 A C +ATOM 5581 HA CYS A 447 -2.330 5.407 12.649 1.00 15.00 A H +ATOM 5582 HB1 CYS A 447 -2.770 5.007 15.279 1.00 15.00 A H +ATOM 5583 HB2 CYS A 447 -1.037 5.307 15.314 1.00 15.00 A H +ATOM 5584 C CYS A 447 -3.054 7.023 13.841 1.00 15.00 A C +ATOM 5585 O CYS A 447 -2.713 8.119 14.285 1.00 15.00 A O +ATOM 5586 CB CYS A 447 -1.863 4.991 14.696 1.00 15.00 A C +ATOM 5587 SG CYS A 447 -1.554 3.268 14.199 1.00 15.00 A S +ATOM 5588 N GLY A 448 -4.323 6.698 13.606 1.00 15.00 A N +ATOM 5589 HN GLY A 448 -4.533 5.813 13.245 1.00 15.00 A H +ATOM 5590 CA GLY A 448 -5.395 7.641 13.882 1.00 15.00 A C +ATOM 5591 HA1 GLY A 448 -6.320 7.257 13.481 1.00 15.00 A H +ATOM 5592 HA2 GLY A 448 -5.162 8.576 13.394 1.00 15.00 A H +ATOM 5593 C GLY A 448 -5.566 7.899 15.367 1.00 15.00 A C +ATOM 5594 O GLY A 448 -5.380 6.998 16.187 1.00 15.00 A O +ATOM 5595 N THR A 449 -5.932 9.127 15.716 1.00 15.00 A N +ATOM 5596 HN THR A 449 -6.095 9.797 15.021 1.00 15.00 A H +ATOM 5597 CA THR A 449 -6.098 9.495 17.115 1.00 15.00 A C +ATOM 5598 HA THR A 449 -6.274 8.594 17.681 1.00 15.00 A H +ATOM 5599 CB THR A 449 -4.815 10.159 17.657 1.00 15.00 A C +ATOM 5600 HB THR A 449 -4.013 9.440 17.604 1.00 15.00 A H +ATOM 5601 OG1 THR A 449 -4.991 10.557 19.023 1.00 15.00 A O +ATOM 5602 HG1 THR A 449 -5.412 11.419 19.058 1.00 15.00 A H +ATOM 5603 CG2 THR A 449 -4.434 11.369 16.805 1.00 15.00 A C +ATOM 5604 HG21 THR A 449 -3.853 11.042 15.956 1.00 15.00 A H +ATOM 5605 HG22 THR A 449 -3.854 12.061 17.396 1.00 15.00 A H +ATOM 5606 HG23 THR A 449 -5.332 11.859 16.455 1.00 15.00 A H +ATOM 5607 C THR A 449 -7.274 10.443 17.326 1.00 15.00 A C +ATOM 5608 O THR A 449 -7.505 11.350 16.531 1.00 15.00 A O +ATOM 5609 N SER A 450 -8.009 10.218 18.412 1.00 15.00 A N +ATOM 5610 HN SER A 450 -7.774 9.464 18.992 1.00 15.00 A H +ATOM 5611 CA SER A 450 -9.154 11.051 18.769 1.00 15.00 A C +ATOM 5612 HA SER A 450 -9.523 11.520 17.869 1.00 15.00 A H +ATOM 5613 CB SER A 450 -10.266 10.194 19.385 1.00 15.00 A C +ATOM 5614 HB1 SER A 450 -10.714 9.580 18.619 1.00 15.00 A H +ATOM 5615 HB2 SER A 450 -11.020 10.842 19.811 1.00 15.00 A H +ATOM 5616 OG SER A 450 -9.762 9.353 20.408 1.00 15.00 A O +ATOM 5617 HG SER A 450 -9.244 9.873 21.024 1.00 15.00 A H +ATOM 5618 C SER A 450 -8.733 12.137 19.760 1.00 15.00 A C +ATOM 5619 O SER A 450 -9.550 12.951 20.188 1.00 15.00 A O +ATOM 5620 N GLY A 451 -7.451 12.130 20.126 1.00 15.00 A N +ATOM 5621 HN GLY A 451 -6.851 11.446 19.757 1.00 15.00 A H +ATOM 5622 CA GLY A 451 -6.930 13.108 21.069 1.00 15.00 A C +ATOM 5623 HA1 GLY A 451 -6.128 12.652 21.631 1.00 15.00 A H +ATOM 5624 HA2 GLY A 451 -7.716 13.387 21.753 1.00 15.00 A H +ATOM 5625 C GLY A 451 -6.396 14.364 20.399 1.00 15.00 A C +ATOM 5626 O GLY A 451 -6.923 14.805 19.375 1.00 15.00 A O +ATOM 5627 N THR A 452 -5.355 14.950 20.991 1.00 15.00 A N +ATOM 5628 HN THR A 452 -5.010 14.565 21.824 1.00 15.00 A H +ATOM 5629 CA THR A 452 -4.722 16.157 20.451 1.00 15.00 A C +ATOM 5630 HA THR A 452 -5.320 16.505 19.622 1.00 15.00 A H +ATOM 5631 CB THR A 452 -4.652 17.285 21.512 1.00 15.00 A C +ATOM 5632 HB THR A 452 -3.967 16.982 22.292 1.00 15.00 A H +ATOM 5633 OG1 THR A 452 -5.946 17.501 22.089 1.00 15.00 A O +ATOM 5634 HG1 THR A 452 -6.054 16.933 22.855 1.00 15.00 A H +ATOM 5635 CG2 THR A 452 -4.149 18.590 20.902 1.00 15.00 A C +ATOM 5636 HG21 THR A 452 -3.125 18.464 20.577 1.00 15.00 A H +ATOM 5637 HG22 THR A 452 -4.197 19.378 21.637 1.00 15.00 A H +ATOM 5638 HG23 THR A 452 -4.763 18.850 20.052 1.00 15.00 A H +ATOM 5639 C THR A 452 -3.301 15.852 19.956 1.00 15.00 A C +ATOM 5640 O THR A 452 -2.667 14.901 20.417 1.00 15.00 A O +ATOM 5641 N TYR A 453 -2.809 16.652 19.002 1.00 15.00 A N +ATOM 5642 HN TYR A 453 -3.373 17.370 18.639 1.00 15.00 A H +ATOM 5643 CA TYR A 453 -1.457 16.476 18.466 1.00 15.00 A C +ATOM 5644 HA TYR A 453 -0.863 16.015 19.236 1.00 15.00 A H +ATOM 5645 CB TYR A 453 -1.481 15.552 17.243 1.00 15.00 A C +ATOM 5646 HB1 TYR A 453 -1.709 14.550 17.559 1.00 15.00 A H +ATOM 5647 HB2 TYR A 453 -0.507 15.559 16.779 1.00 15.00 A H +ATOM 5648 CG TYR A 453 -2.494 15.956 16.198 1.00 15.00 A C +ATOM 5649 CD1 TYR A 453 -2.158 16.848 15.189 1.00 15.00 A C +ATOM 5650 HD1 TYR A 453 -1.158 17.252 15.156 1.00 15.00 A H +ATOM 5651 CD2 TYR A 453 -3.788 15.451 16.221 1.00 15.00 A C +ATOM 5652 HD2 TYR A 453 -4.066 14.753 16.991 1.00 15.00 A H +ATOM 5653 CE1 TYR A 453 -3.082 17.230 14.232 1.00 15.00 A C +ATOM 5654 HE1 TYR A 453 -2.804 17.925 13.454 1.00 15.00 A H +ATOM 5655 CE2 TYR A 453 -4.719 15.825 15.272 1.00 15.00 A C +ATOM 5656 HE2 TYR A 453 -5.735 15.436 15.323 1.00 15.00 A H +ATOM 5657 CZ TYR A 453 -4.358 16.717 14.282 1.00 15.00 A C +ATOM 5658 OH TYR A 453 -5.281 17.091 13.337 1.00 15.00 A O +ATOM 5659 HH TYR A 453 -4.908 17.000 12.457 1.00 15.00 A H +ATOM 5660 C TYR A 453 -0.825 17.824 18.101 1.00 15.00 A C +ATOM 5661 O TYR A 453 -1.479 18.866 18.176 1.00 15.00 A O +ATOM 5662 N GLY A 454 0.453 17.794 17.697 1.00 15.00 A N +ATOM 5663 HN GLY A 454 0.920 16.934 17.665 1.00 15.00 A H +ATOM 5664 CA GLY A 454 1.163 19.016 17.327 1.00 15.00 A C +ATOM 5665 HA1 GLY A 454 2.093 19.048 17.878 1.00 15.00 A H +ATOM 5666 HA2 GLY A 454 0.565 19.868 17.612 1.00 15.00 A H +ATOM 5667 C GLY A 454 1.484 19.116 15.837 1.00 15.00 A C +ATOM 5668 O GLY A 454 0.633 18.848 14.988 1.00 15.00 A O +ATOM 5669 N THR A 455 2.723 19.529 15.538 1.00 15.00 A N +ATOM 5670 HN THR A 455 3.332 19.745 16.275 1.00 15.00 A H +ATOM 5671 CA THR A 455 3.209 19.675 14.157 1.00 15.00 A C +ATOM 5672 HA THR A 455 2.577 19.079 13.513 1.00 15.00 A H +ATOM 5673 CB THR A 455 3.153 21.152 13.675 1.00 15.00 A C +ATOM 5674 HB THR A 455 3.355 21.796 14.520 1.00 15.00 A H +ATOM 5675 OG1 THR A 455 1.851 21.454 13.169 1.00 15.00 A O +ATOM 5676 HG1 THR A 455 1.257 21.631 13.900 1.00 15.00 A H +ATOM 5677 CG2 THR A 455 4.195 21.443 12.591 1.00 15.00 A C +ATOM 5678 HG21 THR A 455 4.123 22.474 12.276 1.00 15.00 A H +ATOM 5679 HG22 THR A 455 4.021 20.795 11.744 1.00 15.00 A H +ATOM 5680 HG23 THR A 455 5.185 21.253 12.985 1.00 15.00 A H +ATOM 5681 C THR A 455 4.651 19.180 14.040 1.00 15.00 A C +ATOM 5682 O THR A 455 5.421 19.264 14.998 1.00 15.00 A O +ATOM 5683 N GLY A 456 5.015 18.656 12.869 1.00 15.00 A N +ATOM 5684 HN GLY A 456 4.358 18.569 12.145 1.00 15.00 A H +ATOM 5685 CA GLY A 456 6.381 18.210 12.671 1.00 15.00 A C +ATOM 5686 HA1 GLY A 456 6.627 17.493 13.439 1.00 15.00 A H +ATOM 5687 HA2 GLY A 456 7.032 19.066 12.774 1.00 15.00 A H +ATOM 5688 C GLY A 456 6.632 17.587 11.313 1.00 15.00 A C +ATOM 5689 O GLY A 456 5.765 17.597 10.441 1.00 15.00 A O +ATOM 5690 N SER A 457 7.835 17.050 11.138 1.00 15.00 A N +ATOM 5691 HN SER A 457 8.482 17.082 11.875 1.00 15.00 A H +ATOM 5692 CA SER A 457 8.225 16.416 9.885 1.00 15.00 A C +ATOM 5693 HA SER A 457 7.332 16.027 9.422 1.00 15.00 A H +ATOM 5694 CB SER A 457 8.854 17.455 8.959 1.00 15.00 A C +ATOM 5695 HB1 SER A 457 9.713 17.895 9.445 1.00 15.00 A H +ATOM 5696 HB2 SER A 457 8.130 18.228 8.748 1.00 15.00 A H +ATOM 5697 OG SER A 457 9.268 16.877 7.735 1.00 15.00 A O +ATOM 5698 HG SER A 457 8.935 15.981 7.675 1.00 15.00 A H +ATOM 5699 C SER A 457 9.184 15.262 10.146 1.00 15.00 A C +ATOM 5700 O SER A 457 10.238 15.438 10.759 1.00 15.00 A O +ATOM 5701 N TRP A 458 8.802 14.072 9.684 1.00 15.00 A N +ATOM 5702 HN TRP A 458 7.946 13.997 9.208 1.00 15.00 A H +ATOM 5703 CA TRP A 458 9.606 12.871 9.893 1.00 15.00 A C +ATOM 5704 HA TRP A 458 10.480 13.156 10.452 1.00 15.00 A H +ATOM 5705 CB TRP A 458 8.799 11.858 10.723 1.00 15.00 A C +ATOM 5706 HB1 TRP A 458 9.407 10.978 10.880 1.00 15.00 A H +ATOM 5707 HB2 TRP A 458 7.915 11.583 10.172 1.00 15.00 A H +ATOM 5708 CG TRP A 458 8.368 12.379 12.069 1.00 15.00 A C +ATOM 5709 CD1 TRP A 458 8.995 12.180 13.268 1.00 15.00 A C +ATOM 5710 HD1 TRP A 458 9.892 11.589 13.388 1.00 15.00 A H +ATOM 5711 CD2 TRP A 458 7.222 13.196 12.348 1.00 15.00 A C +ATOM 5712 NE1 TRP A 458 8.316 12.826 14.273 1.00 15.00 A N +ATOM 5713 HE1 TRP A 458 8.571 12.836 15.217 1.00 15.00 A H +ATOM 5714 CE2 TRP A 458 7.225 13.462 13.731 1.00 15.00 A C +ATOM 5715 CE3 TRP A 458 6.200 13.734 11.564 1.00 15.00 A C +ATOM 5716 HE3 TRP A 458 6.164 13.554 10.504 1.00 15.00 A H +ATOM 5717 CZ2 TRP A 458 6.240 14.249 14.341 1.00 15.00 A C +ATOM 5718 HZ2 TRP A 458 6.244 14.453 15.407 1.00 15.00 A H +ATOM 5719 CZ3 TRP A 458 5.226 14.509 12.166 1.00 15.00 A C +ATOM 5720 HZ3 TRP A 458 4.429 14.927 11.572 1.00 15.00 A H +ATOM 5721 CH2 TRP A 458 5.252 14.761 13.544 1.00 15.00 A C +ATOM 5722 HH2 TRP A 458 4.471 15.375 13.970 1.00 15.00 A H +ATOM 5723 C TRP A 458 10.062 12.220 8.571 1.00 15.00 A C +ATOM 5724 O TRP A 458 9.480 11.225 8.137 1.00 15.00 A O +ATOM 5725 N PRO A 459 11.110 12.766 7.913 1.00 15.00 A N +ATOM 5726 CA PRO A 459 11.636 12.202 6.658 1.00 15.00 A C +ATOM 5727 HA PRO A 459 10.842 11.897 5.990 1.00 15.00 A H +ATOM 5728 CB PRO A 459 12.398 13.378 6.060 1.00 15.00 A C +ATOM 5729 HB1 PRO A 459 11.738 13.979 5.457 1.00 15.00 A H +ATOM 5730 HB2 PRO A 459 13.229 13.012 5.470 1.00 15.00 A H +ATOM 5731 CG PRO A 459 12.878 14.159 7.234 1.00 15.00 A C +ATOM 5732 HG1 PRO A 459 12.963 15.202 6.969 1.00 15.00 A H +ATOM 5733 HG2 PRO A 459 13.833 13.773 7.561 1.00 15.00 A H +ATOM 5734 CD PRO A 459 11.842 13.986 8.316 1.00 15.00 A C +ATOM 5735 HD1 PRO A 459 11.181 14.840 8.343 1.00 15.00 A H +ATOM 5736 HD2 PRO A 459 12.319 13.849 9.274 1.00 15.00 A H +ATOM 5737 C PRO A 459 12.592 11.033 6.904 1.00 15.00 A C +ATOM 5738 O PRO A 459 12.734 10.575 8.040 1.00 15.00 A O +ATOM 5739 N ASP A 460 13.236 10.550 5.835 1.00 15.00 A N +ATOM 5740 HN ASP A 460 13.054 10.937 4.952 1.00 15.00 A H +ATOM 5741 CA ASP A 460 14.194 9.445 5.946 1.00 15.00 A C +ATOM 5742 HA ASP A 460 13.661 8.594 6.345 1.00 15.00 A H +ATOM 5743 CB ASP A 460 14.760 9.076 4.569 1.00 15.00 A C +ATOM 5744 HB1 ASP A 460 15.149 9.964 4.097 1.00 15.00 A H +ATOM 5745 HB2 ASP A 460 13.967 8.667 3.960 1.00 15.00 A H +ATOM 5746 CG ASP A 460 15.871 8.046 4.649 1.00 15.00 A C +ATOM 5747 OD1 ASP A 460 15.587 6.891 5.024 1.00 15.00 A O +ATOM 5748 OD2 ASP A 460 17.023 8.398 4.334 1.00 15.00 A O +ATOM 5749 C ASP A 460 15.311 9.823 6.928 1.00 15.00 A C +ATOM 5750 O ASP A 460 15.468 9.180 7.965 1.00 15.00 A O +ATOM 5751 N GLY A 461 16.090 10.856 6.598 1.00 15.00 A N +ATOM 5752 HN GLY A 461 15.964 11.303 5.733 1.00 15.00 A H +ATOM 5753 CA GLY A 461 17.126 11.319 7.517 1.00 15.00 A C +ATOM 5754 HA1 GLY A 461 16.942 10.870 8.481 1.00 15.00 A H +ATOM 5755 HA2 GLY A 461 17.032 12.388 7.619 1.00 15.00 A H +ATOM 5756 C GLY A 461 18.562 11.011 7.109 1.00 15.00 A C +ATOM 5757 O GLY A 461 19.492 11.597 7.662 1.00 15.00 A O +ATOM 5758 N ALA A 462 18.755 10.097 6.166 1.00 15.00 A N +ATOM 5759 HN ALA A 462 17.981 9.645 5.765 1.00 15.00 A H +ATOM 5760 CA ALA A 462 20.103 9.731 5.725 1.00 15.00 A C +ATOM 5761 HA ALA A 462 20.697 9.512 6.598 1.00 15.00 A H +ATOM 5762 CB ALA A 462 20.046 8.473 4.872 1.00 15.00 A C +ATOM 5763 HB1 ALA A 462 19.559 8.701 3.932 1.00 15.00 A H +ATOM 5764 HB2 ALA A 462 19.489 7.709 5.388 1.00 15.00 A H +ATOM 5765 HB3 ALA A 462 21.051 8.118 4.677 1.00 15.00 A H +ATOM 5766 C ALA A 462 20.785 10.840 4.924 1.00 15.00 A C +ATOM 5767 O ALA A 462 20.136 11.601 4.216 1.00 15.00 A O +ATOM 5768 N ASN A 463 22.101 10.946 5.067 1.00 15.00 A N +ATOM 5769 HN ASN A 463 22.567 10.376 5.713 1.00 15.00 A H +ATOM 5770 CA ASN A 463 22.855 11.905 4.281 1.00 15.00 A C +ATOM 5771 HA ASN A 463 22.162 12.646 3.907 1.00 15.00 A H +ATOM 5772 CB ASN A 463 23.952 12.600 5.103 1.00 15.00 A C +ATOM 5773 HB1 ASN A 463 24.713 11.880 5.367 1.00 15.00 A H +ATOM 5774 HB2 ASN A 463 23.514 13.002 6.007 1.00 15.00 A H +ATOM 5775 CG ASN A 463 24.611 13.746 4.343 1.00 15.00 A C +ATOM 5776 OD1 ASN A 463 24.771 13.693 3.126 1.00 15.00 A O +ATOM 5777 ND2 ASN A 463 24.990 14.797 5.058 1.00 15.00 A N +ATOM 5778 HD21 ASN A 463 24.830 14.785 6.024 1.00 15.00 A H +ATOM 5779 HD22 ASN A 463 25.415 15.545 4.586 1.00 15.00 A H +ATOM 5780 C ASN A 463 23.434 11.137 3.102 1.00 15.00 A C +ATOM 5781 O ASN A 463 24.320 10.300 3.272 1.00 15.00 A O +ATOM 5782 N ILE A 464 22.882 11.405 1.916 1.00 15.00 A N +ATOM 5783 HN ILE A 464 22.173 12.082 1.876 1.00 15.00 A H +ATOM 5784 CA ILE A 464 23.277 10.729 0.677 1.00 15.00 A C +ATOM 5785 HA ILE A 464 22.983 9.695 0.783 1.00 15.00 A H +ATOM 5786 CB ILE A 464 22.485 11.307 -0.535 1.00 15.00 A C +ATOM 5787 HB ILE A 464 21.818 12.070 -0.159 1.00 15.00 A H +ATOM 5788 CG1 ILE A 464 21.640 10.202 -1.180 1.00 15.00 A C +ATOM 5789 HG11 ILE A 464 20.970 10.641 -1.903 1.00 15.00 A H +ATOM 5790 HG12 ILE A 464 21.058 9.713 -0.414 1.00 15.00 A H +ATOM 5791 CG2 ILE A 464 23.397 11.962 -1.569 1.00 15.00 A C +ATOM 5792 HG21 ILE A 464 23.844 12.848 -1.146 1.00 15.00 A H +ATOM 5793 HG22 ILE A 464 22.816 12.231 -2.441 1.00 15.00 A H +ATOM 5794 HG23 ILE A 464 24.173 11.267 -1.854 1.00 15.00 A H +ATOM 5795 CD1 ILE A 464 22.455 9.138 -1.887 1.00 15.00 A C +ATOM 5796 HD11 ILE A 464 22.915 9.560 -2.769 1.00 15.00 A H +ATOM 5797 HD12 ILE A 464 21.812 8.319 -2.172 1.00 15.00 A H +ATOM 5798 HD13 ILE A 464 23.225 8.774 -1.221 1.00 15.00 A H +ATOM 5799 C ILE A 464 24.793 10.758 0.416 1.00 15.00 A C +ATOM 5800 O ILE A 464 25.304 9.919 -0.323 1.00 15.00 A O +ATOM 5801 N ASN A 465 25.506 11.688 1.051 1.00 15.00 A N +ATOM 5802 HN ASN A 465 25.052 12.301 1.668 1.00 15.00 A H +ATOM 5803 CA ASN A 465 26.952 11.811 0.861 1.00 15.00 A C +ATOM 5804 HA ASN A 465 27.169 11.521 -0.157 1.00 15.00 A H +ATOM 5805 CB ASN A 465 27.393 13.268 1.049 1.00 15.00 A C +ATOM 5806 HB1 ASN A 465 28.471 13.314 1.057 1.00 15.00 A H +ATOM 5807 HB2 ASN A 465 27.014 13.636 1.992 1.00 15.00 A H +ATOM 5808 CG ASN A 465 26.882 14.175 -0.057 1.00 15.00 A C +ATOM 5809 OD1 ASN A 465 26.041 15.044 0.172 1.00 15.00 A O +ATOM 5810 ND2 ASN A 465 27.386 13.968 -1.268 1.00 15.00 A N +ATOM 5811 HD21 ASN A 465 28.046 13.252 -1.378 1.00 15.00 A H +ATOM 5812 HD22 ASN A 465 27.078 14.540 -2.003 1.00 15.00 A H +ATOM 5813 C ASN A 465 27.741 10.889 1.802 1.00 15.00 A C +ATOM 5814 O ASN A 465 28.947 10.708 1.632 1.00 15.00 A O +ATOM 5815 N PHE A 466 27.056 10.300 2.782 1.00 15.00 A N +ATOM 5816 HN PHE A 466 26.096 10.486 2.868 1.00 15.00 A H +ATOM 5817 CA PHE A 466 27.693 9.392 3.745 1.00 15.00 A C +ATOM 5818 HA PHE A 466 28.753 9.589 3.751 1.00 15.00 A H +ATOM 5819 CB PHE A 466 27.122 9.610 5.160 1.00 15.00 A C +ATOM 5820 HB1 PHE A 466 27.563 8.879 5.826 1.00 15.00 A H +ATOM 5821 HB2 PHE A 466 26.056 9.442 5.129 1.00 15.00 A H +ATOM 5822 CG PHE A 466 27.341 10.972 5.778 1.00 15.00 A C +ATOM 5823 CD1 PHE A 466 28.224 11.894 5.230 1.00 15.00 A C +ATOM 5824 HD1 PHE A 466 28.784 11.636 4.344 1.00 15.00 A H +ATOM 5825 CD2 PHE A 466 26.645 11.322 6.928 1.00 15.00 A C +ATOM 5826 HD2 PHE A 466 25.944 10.619 7.352 1.00 15.00 A H +ATOM 5827 CE1 PHE A 466 28.406 13.135 5.823 1.00 15.00 A C +ATOM 5828 HE1 PHE A 466 29.087 13.850 5.385 1.00 15.00 A H +ATOM 5829 CE2 PHE A 466 26.826 12.553 7.523 1.00 15.00 A C +ATOM 5830 HE2 PHE A 466 26.289 12.801 8.426 1.00 15.00 A H +ATOM 5831 CZ PHE A 466 27.711 13.461 6.973 1.00 15.00 A C +ATOM 5832 HZ PHE A 466 27.852 14.425 7.440 1.00 15.00 A H +ATOM 5833 C PHE A 466 27.448 7.921 3.364 1.00 15.00 A C +ATOM 5834 O PHE A 466 28.157 7.027 3.824 1.00 15.00 A O +ATOM 5835 N MET A 467 26.446 7.695 2.516 1.00 15.00 A N +ATOM 5836 HN MET A 467 25.967 8.465 2.144 1.00 15.00 A H +ATOM 5837 CA MET A 467 26.027 6.345 2.108 1.00 15.00 A C +ATOM 5838 HA MET A 467 25.906 5.753 3.000 1.00 15.00 A H +ATOM 5839 CB MET A 467 24.678 6.430 1.395 1.00 15.00 A C +ATOM 5840 HB1 MET A 467 24.351 5.430 1.155 1.00 15.00 A H +ATOM 5841 HB2 MET A 467 24.809 6.985 0.476 1.00 15.00 A H +ATOM 5842 CG MET A 467 23.590 7.106 2.202 1.00 15.00 A C +ATOM 5843 HG1 MET A 467 22.705 7.183 1.588 1.00 15.00 A H +ATOM 5844 HG2 MET A 467 23.927 8.096 2.476 1.00 15.00 A H +ATOM 5845 SD MET A 467 23.177 6.198 3.703 1.00 15.00 A S +ATOM 5846 CE MET A 467 22.798 4.581 3.027 1.00 15.00 A C +ATOM 5847 HE1 MET A 467 23.715 4.069 2.787 1.00 15.00 A H +ATOM 5848 HE2 MET A 467 22.206 4.695 2.132 1.00 15.00 A H +ATOM 5849 HE3 MET A 467 22.244 4.007 3.755 1.00 15.00 A H +ATOM 5850 C MET A 467 26.991 5.626 1.161 1.00 15.00 A C +ATOM 5851 O MET A 467 27.522 6.227 0.230 1.00 15.00 A O +ATOM 5852 N PRO A 468 27.224 4.313 1.391 1.00 15.00 A N +ATOM 5853 CA PRO A 468 28.043 3.499 0.490 1.00 15.00 A C +ATOM 5854 HA PRO A 468 29.058 3.867 0.413 1.00 15.00 A H +ATOM 5855 CB PRO A 468 28.020 2.099 1.117 1.00 15.00 A C +ATOM 5856 HB1 PRO A 468 28.955 1.896 1.616 1.00 15.00 A H +ATOM 5857 HB2 PRO A 468 27.839 1.360 0.344 1.00 15.00 A H +ATOM 5858 CG PRO A 468 26.900 2.116 2.103 1.00 15.00 A C +ATOM 5859 HG1 PRO A 468 27.142 1.488 2.948 1.00 15.00 A H +ATOM 5860 HG2 PRO A 468 25.993 1.772 1.627 1.00 15.00 A H +ATOM 5861 CD PRO A 468 26.747 3.539 2.552 1.00 15.00 A C +ATOM 5862 HD1 PRO A 468 27.360 3.732 3.421 1.00 15.00 A H +ATOM 5863 HD2 PRO A 468 25.712 3.757 2.765 1.00 15.00 A H +ATOM 5864 C PRO A 468 27.384 3.464 -0.885 1.00 15.00 A C +ATOM 5865 O PRO A 468 26.192 3.189 -0.985 1.00 15.00 A O +ATOM 5866 N ILE A 469 28.138 3.747 -1.935 1.00 15.00 A N +ATOM 5867 HN ILE A 469 29.092 3.928 -1.813 1.00 15.00 A H +ATOM 5868 CA ILE A 469 27.562 3.772 -3.277 1.00 15.00 A C +ATOM 5869 HA ILE A 469 26.576 4.206 -3.197 1.00 15.00 A H +ATOM 5870 CB ILE A 469 28.393 4.652 -4.234 1.00 15.00 A C +ATOM 5871 HB ILE A 469 27.868 4.713 -5.175 1.00 15.00 A H +ATOM 5872 CG1 ILE A 469 29.772 4.031 -4.465 1.00 15.00 A C +ATOM 5873 HG11 ILE A 469 29.669 2.957 -4.512 1.00 15.00 A H +ATOM 5874 HG12 ILE A 469 30.416 4.292 -3.639 1.00 15.00 A H +ATOM 5875 CG2 ILE A 469 28.528 6.064 -3.673 1.00 15.00 A C +ATOM 5876 HG21 ILE A 469 29.528 6.426 -3.858 1.00 15.00 A H +ATOM 5877 HG22 ILE A 469 28.338 6.048 -2.611 1.00 15.00 A H +ATOM 5878 HG23 ILE A 469 27.815 6.711 -4.158 1.00 15.00 A H +ATOM 5879 CD1 ILE A 469 30.446 4.493 -5.737 1.00 15.00 A C +ATOM 5880 HD11 ILE A 469 29.946 4.051 -6.585 1.00 15.00 A H +ATOM 5881 HD12 ILE A 469 31.481 4.185 -5.727 1.00 15.00 A H +ATOM 5882 HD13 ILE A 469 30.387 5.568 -5.805 1.00 15.00 A H +ATOM 5883 C ILE A 469 27.426 2.369 -3.868 1.00 15.00 A C +ATOM 5884 O ILE A 469 27.830 1.378 -3.262 1.00 15.00 A O +ATOM 5885 C82 G39 B 500 2.819 -3.696 -13.410 1.00 15.00 B C +ATOM 5886 C81 G39 B 500 2.614 -2.210 -13.614 1.00 15.00 B C +ATOM 5887 C8 G39 B 500 2.781 -1.396 -12.332 1.00 15.00 B C +ATOM 5888 C9 G39 B 500 2.232 0.019 -12.571 1.00 15.00 B C +ATOM 5889 C91 G39 B 500 2.962 0.769 -13.674 1.00 15.00 B C +ATOM 5890 O7 G39 B 500 4.163 -1.386 -11.915 1.00 15.00 B O +ATOM 5891 C6 G39 B 500 4.385 -0.903 -10.572 1.00 15.00 B C +ATOM 5892 C7 G39 B 500 5.183 0.391 -10.617 1.00 15.00 B C +ATOM 5893 C2 G39 B 500 5.938 0.843 -9.591 1.00 15.00 B C +ATOM 5894 C1 G39 B 500 6.242 2.280 -9.477 1.00 15.00 B C +ATOM 5895 O1B G39 B 500 7.018 2.679 -8.575 1.00 15.00 B O +ATOM 5896 O1A G39 B 500 5.728 3.091 -10.288 1.00 15.00 B O +ATOM 5897 C3 G39 B 500 6.487 -0.125 -8.565 1.00 15.00 B C +ATOM 5898 C4 G39 B 500 5.591 -1.357 -8.396 1.00 15.00 B C +ATOM 5899 N4 G39 B 500 6.319 -2.354 -7.628 1.00 15.00 B N +ATOM 5900 HAB G39 B 500 7.286 -2.512 -7.822 1.00 15.00 B H +ATOM 5901 HAC G39 B 500 5.749 -3.064 -7.211 1.00 15.00 B H +ATOM 5902 HAA G39 B 500 6.464 -1.818 -6.796 1.00 15.00 B H +ATOM 5903 C5 G39 B 500 5.140 -1.940 -9.741 1.00 15.00 B C +ATOM 5904 N5 G39 B 500 4.304 -3.113 -9.549 1.00 15.00 B N +ATOM 5905 H07 G39 B 500 3.418 -2.924 -9.127 1.00 15.00 B H +ATOM 5906 C10 G39 B 500 4.676 -4.349 -9.904 1.00 15.00 B C +ATOM 5907 C11 G39 B 500 3.817 -5.457 -9.370 1.00 15.00 B C +ATOM 5908 O10 G39 B 500 5.647 -4.586 -10.611 1.00 15.00 B O +END From dcf757a796c83cb098f1e085ffe8bd79c65285f0 Mon Sep 17 00:00:00 2001 From: VGPReys Date: Mon, 6 Oct 2025 13:31:35 +0200 Subject: [PATCH 006/101] fix issue with EmptyPath from default value --- integration_tests/test_alascan.py | 17 ++++++++++++----- src/haddock/clis/cli_score.py | 5 ++--- 2 files changed, 14 insertions(+), 8 deletions(-) diff --git a/integration_tests/test_alascan.py b/integration_tests/test_alascan.py index 71e8b36479..a27d9e7da3 100644 --- a/integration_tests/test_alascan.py +++ b/integration_tests/test_alascan.py @@ -105,6 +105,7 @@ def retrieve_models(self, individualize: bool = False): def output(self): return None + def test_alascan_default(alascan_module, mocker): """Test the alascan module.""" alascan_module.previous_io = MockPreviousIO(path=alascan_module.path) @@ -198,7 +199,7 @@ def test_alascan_with_ligand_topar(alascan_module_protlig): # List mutated files mutated_filepaths = list(Path(alascan_module_protlig.path).glob("protlig_complex_1-*.pdb")) - assert len(mutated_filepaths) > 1 + assert len(mutated_filepaths) >= 1 # Loop over files for mutated_fpath in mutated_filepaths: @@ -208,16 +209,22 @@ def test_alascan_with_ligand_topar(alascan_module_protlig): def test_alascan_without_ligand_topar(alascan_module): - """Test the use of alascan in presence of a ligand.""" + """Test the use of alascan in presence of a ligand without topo/param.""" alascan_module.previous_io = MockPreviousIO_protlig(path=alascan_module.path) alascan_module.run() expected_csv = Path(alascan_module.path, "scan_protlig_complex_1.tsv") expected_clt_csv = Path(alascan_module.path, "scan_clt_unclustered.tsv") - assert not expected_csv.exists(), f"{expected_csv} does exist" - assert not expected_clt_csv.exists(), f"{expected_clt_csv} does exist" + assert expected_csv.exists(), f"{expected_csv} does not exist" + assert expected_clt_csv.exists(), f"{expected_clt_csv} does not exist" # List mutated files mutated_filepaths = list(Path(alascan_module.path).glob("protlig_complex_1-*.pdb")) - assert len(mutated_filepaths) == 0 + assert len(mutated_filepaths) >= 1 + + # Loop over files + for mutated_fpath in mutated_filepaths: + # Make sure the ligand is in it + file_content = mutated_fpath.read_text() + assert file_content.count("G39") == 0 diff --git a/src/haddock/clis/cli_score.py b/src/haddock/clis/cli_score.py index 139d744466..a981996bb7 100644 --- a/src/haddock/clis/cli_score.py +++ b/src/haddock/clis/cli_score.py @@ -26,7 +26,6 @@ Callable, FilePath, Namespace, - Optional, ) from haddock.libs.libcli import _ParamsToDict @@ -150,7 +149,7 @@ def main( from contextlib import suppress from pathlib import Path - from haddock import log + from haddock import log, EmptyPath from haddock.gear.haddockmodel import HaddockModel from haddock.gear.yaml2cfg import read_from_yaml_config from haddock.gear.zerofill import zero_fill @@ -191,7 +190,7 @@ def main( sys.exit(f"* ERROR * Boolean parameter {param} should be True or False") value = value.lower() == "true" elif param.endswith("_fname"): - value = Path(value).resolve() + value = EmptyPath() if str(value) == "" else Path(value).resolve() else: value = default_type(value) ems_dict[param] = value From 6f7182337859fada3a10f4c0815b710ac9115703 Mon Sep 17 00:00:00 2001 From: VGPReys Date: Mon, 6 Oct 2025 21:37:06 +0200 Subject: [PATCH 007/101] reducing size of input pdb file for test --- .../golden_data/protlig_complex_1.pdb | 5596 ----------------- 1 file changed, 5596 deletions(-) diff --git a/integration_tests/golden_data/protlig_complex_1.pdb b/integration_tests/golden_data/protlig_complex_1.pdb index fd1606c896..672b485324 100644 --- a/integration_tests/golden_data/protlig_complex_1.pdb +++ b/integration_tests/golden_data/protlig_complex_1.pdb @@ -39,567 +39,6 @@ REMARK water - water: 0 0 0 REMARK =============================================================== REMARK DATE:30-Dec-2021 12:38:00 created by user: unknown REMARK VERSION:1.3U -ATOM 1 N VAL A 82 -8.724 -19.785 20.147 1.00 15.00 A N -ATOM 2 HN VAL A 82 -8.397 -20.700 20.023 1.00 15.00 A H -ATOM 3 CA VAL A 82 -8.524 -18.804 19.084 1.00 15.00 A C -ATOM 4 HA VAL A 82 -8.323 -17.855 19.559 1.00 15.00 A H -ATOM 5 CB VAL A 82 -7.302 -19.179 18.207 1.00 15.00 A C -ATOM 6 HB VAL A 82 -7.523 -20.105 17.692 1.00 15.00 A H -ATOM 7 CG1 VAL A 82 -7.040 -18.108 17.165 1.00 15.00 A C -ATOM 8 HG11 VAL A 82 -7.971 -17.828 16.696 1.00 15.00 A H -ATOM 9 HG12 VAL A 82 -6.364 -18.494 16.419 1.00 15.00 A H -ATOM 10 HG13 VAL A 82 -6.600 -17.244 17.640 1.00 15.00 A H -ATOM 11 CG2 VAL A 82 -6.059 -19.401 19.068 1.00 15.00 A C -ATOM 12 HG21 VAL A 82 -5.207 -19.588 18.430 1.00 15.00 A H -ATOM 13 HG22 VAL A 82 -6.213 -20.250 19.717 1.00 15.00 A H -ATOM 14 HG23 VAL A 82 -5.870 -18.520 19.665 1.00 15.00 A H -ATOM 15 C VAL A 82 -9.795 -18.662 18.224 1.00 15.00 A C -ATOM 16 O VAL A 82 -10.472 -19.651 17.944 1.00 15.00 A O -ATOM 17 N GLU A 83 -10.111 -17.426 17.812 1.00 15.00 A N -ATOM 18 HN GLU A 83 -9.519 -16.680 18.047 1.00 15.00 A H -ATOM 19 CA GLU A 83 -11.327 -17.151 17.023 1.00 15.00 A C -ATOM 20 HA GLU A 83 -11.762 -18.097 16.730 1.00 15.00 A H -ATOM 21 CB GLU A 83 -12.322 -16.398 17.919 1.00 15.00 A C -ATOM 22 HB1 GLU A 83 -12.020 -15.361 17.976 1.00 15.00 A H -ATOM 23 HB2 GLU A 83 -12.283 -16.821 18.912 1.00 15.00 A H -ATOM 24 CG GLU A 83 -13.765 -16.442 17.443 1.00 15.00 A C -ATOM 25 HG1 GLU A 83 -13.976 -17.430 17.057 1.00 15.00 A H -ATOM 26 HG2 GLU A 83 -13.895 -15.711 16.656 1.00 15.00 A H -ATOM 27 CD GLU A 83 -14.742 -16.134 18.560 1.00 15.00 A C -ATOM 28 OE1 GLU A 83 -14.659 -15.026 19.136 1.00 15.00 A O -ATOM 29 OE2 GLU A 83 -15.593 -16.998 18.861 1.00 15.00 A O -ATOM 30 C GLU A 83 -11.027 -16.315 15.758 1.00 15.00 A C -ATOM 31 O GLU A 83 -9.998 -15.644 15.687 1.00 15.00 A O -ATOM 32 N TYR A 84 -11.932 -16.365 14.762 1.00 15.00 A N -ATOM 33 HN TYR A 84 -12.725 -16.934 14.867 1.00 15.00 A H -ATOM 34 CA TYR A 84 -11.764 -15.593 13.516 1.00 15.00 A C -ATOM 35 HA TYR A 84 -10.734 -15.681 13.204 1.00 15.00 A H -ATOM 36 CB TYR A 84 -12.674 -16.120 12.389 1.00 15.00 A C -ATOM 37 HB1 TYR A 84 -12.770 -15.349 11.637 1.00 15.00 A H -ATOM 38 HB2 TYR A 84 -13.652 -16.333 12.791 1.00 15.00 A H -ATOM 39 CG TYR A 84 -12.183 -17.377 11.695 1.00 15.00 A C -ATOM 40 CD1 TYR A 84 -10.900 -17.443 11.162 1.00 15.00 A C -ATOM 41 HD1 TYR A 84 -10.239 -16.597 11.275 1.00 15.00 A H -ATOM 42 CD2 TYR A 84 -13.011 -18.487 11.549 1.00 15.00 A C -ATOM 43 HD2 TYR A 84 -14.017 -18.443 11.939 1.00 15.00 A H -ATOM 44 CE1 TYR A 84 -10.453 -18.580 10.512 1.00 15.00 A C -ATOM 45 HE1 TYR A 84 -9.454 -18.607 10.095 1.00 15.00 A H -ATOM 46 CE2 TYR A 84 -12.569 -19.629 10.907 1.00 15.00 A C -ATOM 47 HE2 TYR A 84 -13.221 -20.486 10.822 1.00 15.00 A H -ATOM 48 CZ TYR A 84 -11.287 -19.671 10.391 1.00 15.00 A C -ATOM 49 OH TYR A 84 -10.842 -20.805 9.749 1.00 15.00 A O -ATOM 50 HH TYR A 84 -11.447 -21.034 9.040 1.00 15.00 A H -ATOM 51 C TYR A 84 -12.091 -14.113 13.740 1.00 15.00 A C -ATOM 52 O TYR A 84 -12.987 -13.778 14.518 1.00 15.00 A O -ATOM 53 N ARG A 85 -11.363 -13.226 13.052 1.00 15.00 A N -ATOM 54 HN ARG A 85 -10.651 -13.548 12.460 1.00 15.00 A H -ATOM 55 CA ARG A 85 -11.603 -11.784 13.163 1.00 15.00 A C -ATOM 56 HA ARG A 85 -11.838 -11.563 14.193 1.00 15.00 A H -ATOM 57 CB ARG A 85 -10.365 -10.982 12.739 1.00 15.00 A C -ATOM 58 HB1 ARG A 85 -10.623 -9.934 12.723 1.00 15.00 A H -ATOM 59 HB2 ARG A 85 -10.081 -11.283 11.742 1.00 15.00 A H -ATOM 60 CG ARG A 85 -9.160 -11.159 13.649 1.00 15.00 A C -ATOM 61 HG1 ARG A 85 -8.565 -11.981 13.284 1.00 15.00 A H -ATOM 62 HG2 ARG A 85 -9.502 -11.376 14.649 1.00 15.00 A H -ATOM 63 CD ARG A 85 -8.300 -9.902 13.678 1.00 15.00 A C -ATOM 64 HD1 ARG A 85 -7.714 -9.906 14.584 1.00 15.00 A H -ATOM 65 HD2 ARG A 85 -8.948 -9.041 13.673 1.00 15.00 A H -ATOM 66 NE ARG A 85 -7.400 -9.829 12.527 1.00 15.00 A N -ATOM 67 HE ARG A 85 -7.622 -10.374 11.744 1.00 15.00 A H -ATOM 68 CZ ARG A 85 -6.308 -9.065 12.482 1.00 15.00 A C -ATOM 69 NH1 ARG A 85 -5.958 -8.326 13.527 1.00 15.00 A N -ATOM 70 HH11 ARG A 85 -5.102 -7.733 13.482 1.00 15.00 A H -ATOM 71 HH12 ARG A 85 -6.540 -8.332 14.388 1.00 15.00 A H -ATOM 72 NH2 ARG A 85 -5.554 -9.057 11.393 1.00 15.00 A N -ATOM 73 HH21 ARG A 85 -4.697 -8.469 11.356 1.00 15.00 A H -ATOM 74 HH22 ARG A 85 -5.823 -9.636 10.569 1.00 15.00 A H -ATOM 75 C ARG A 85 -12.782 -11.386 12.282 1.00 15.00 A C -ATOM 76 O ARG A 85 -12.763 -11.619 11.072 1.00 15.00 A O -ATOM 77 N ASN A 86 -13.814 -10.786 12.873 1.00 15.00 A N -ATOM 78 HN ASN A 86 -13.793 -10.619 13.839 1.00 15.00 A H -ATOM 79 CA ASN A 86 -14.982 -10.386 12.090 1.00 15.00 A C -ATOM 80 HA ASN A 86 -14.878 -10.871 11.129 1.00 15.00 A H -ATOM 81 CB ASN A 86 -16.278 -10.901 12.738 1.00 15.00 A C -ATOM 82 HB1 ASN A 86 -16.222 -11.982 12.794 1.00 15.00 A H -ATOM 83 HB2 ASN A 86 -17.112 -10.632 12.112 1.00 15.00 A H -ATOM 84 CG ASN A 86 -16.543 -10.374 14.140 1.00 15.00 A C -ATOM 85 OD1 ASN A 86 -15.995 -9.357 14.561 1.00 15.00 A O -ATOM 86 ND2 ASN A 86 -17.408 -11.071 14.865 1.00 15.00 A N -ATOM 87 HD21 ASN A 86 -17.813 -11.868 14.462 1.00 15.00 A H -ATOM 88 HD22 ASN A 86 -17.615 -10.754 15.768 1.00 15.00 A H -ATOM 89 C ASN A 86 -15.028 -8.874 11.841 1.00 15.00 A C -ATOM 90 O ASN A 86 -15.778 -8.414 10.982 1.00 15.00 A O -ATOM 91 N TRP A 87 -14.207 -8.117 12.584 1.00 15.00 A N -ATOM 92 HN TRP A 87 -13.643 -8.559 13.251 1.00 15.00 A H -ATOM 93 CA TRP A 87 -14.118 -6.652 12.436 1.00 15.00 A C -ATOM 94 HA TRP A 87 -13.477 -6.287 13.221 1.00 15.00 A H -ATOM 95 CB TRP A 87 -13.494 -6.284 11.079 1.00 15.00 A C -ATOM 96 HB1 TRP A 87 -13.477 -5.211 10.986 1.00 15.00 A H -ATOM 97 HB2 TRP A 87 -14.112 -6.695 10.296 1.00 15.00 A H -ATOM 98 CG TRP A 87 -12.098 -6.789 10.858 1.00 15.00 A C -ATOM 99 CD1 TRP A 87 -11.738 -7.917 10.184 1.00 15.00 A C -ATOM 100 HD1 TRP A 87 -12.441 -8.594 9.724 1.00 15.00 A H -ATOM 101 CD2 TRP A 87 -10.878 -6.177 11.301 1.00 15.00 A C -ATOM 102 NE1 TRP A 87 -10.374 -8.043 10.162 1.00 15.00 A N -ATOM 103 HE1 TRP A 87 -9.873 -8.768 9.729 1.00 15.00 A H -ATOM 104 CE2 TRP A 87 -9.823 -6.989 10.852 1.00 15.00 A C -ATOM 105 CE3 TRP A 87 -10.576 -5.025 12.031 1.00 15.00 A C -ATOM 106 HE3 TRP A 87 -11.356 -4.376 12.390 1.00 15.00 A H -ATOM 107 CZ2 TRP A 87 -8.487 -6.686 11.107 1.00 15.00 A C -ATOM 108 HZ2 TRP A 87 -7.677 -7.318 10.755 1.00 15.00 A H -ATOM 109 CZ3 TRP A 87 -9.251 -4.726 12.288 1.00 15.00 A C -ATOM 110 HZ3 TRP A 87 -9.000 -3.847 12.857 1.00 15.00 A H -ATOM 111 CH2 TRP A 87 -8.219 -5.555 11.828 1.00 15.00 A C -ATOM 112 HH2 TRP A 87 -7.199 -5.281 12.046 1.00 15.00 A H -ATOM 113 C TRP A 87 -15.481 -5.946 12.552 1.00 15.00 A C -ATOM 114 O TRP A 87 -15.721 -4.959 11.854 1.00 15.00 A O -ATOM 115 N SER A 88 -16.374 -6.434 13.412 1.00 15.00 A N -ATOM 116 HN SER A 88 -16.162 -7.235 13.935 1.00 15.00 A H -ATOM 117 CA SER A 88 -17.682 -5.796 13.567 1.00 15.00 A C -ATOM 118 HA SER A 88 -17.877 -5.254 12.653 1.00 15.00 A H -ATOM 119 CB SER A 88 -18.795 -6.834 13.753 1.00 15.00 A C -ATOM 120 HB1 SER A 88 -18.918 -7.385 12.832 1.00 15.00 A H -ATOM 121 HB2 SER A 88 -19.717 -6.327 13.992 1.00 15.00 A H -ATOM 122 OG SER A 88 -18.493 -7.745 14.791 1.00 15.00 A O -ATOM 123 HG SER A 88 -19.161 -8.436 14.810 1.00 15.00 A H -ATOM 124 C SER A 88 -17.681 -4.783 14.714 1.00 15.00 A C -ATOM 125 O SER A 88 -18.252 -5.010 15.782 1.00 15.00 A O -ATOM 126 N LYS A 89 -17.016 -3.658 14.462 1.00 15.00 A N -ATOM 127 HN LYS A 89 -16.574 -3.565 13.593 1.00 15.00 A H -ATOM 128 CA LYS A 89 -16.917 -2.557 15.415 1.00 15.00 A C -ATOM 129 HA LYS A 89 -17.783 -2.586 16.060 1.00 15.00 A H -ATOM 130 CB LYS A 89 -15.638 -2.666 16.258 1.00 15.00 A C -ATOM 131 HB1 LYS A 89 -15.364 -1.676 16.590 1.00 15.00 A H -ATOM 132 HB2 LYS A 89 -14.845 -3.055 15.633 1.00 15.00 A H -ATOM 133 CG LYS A 89 -15.756 -3.564 17.485 1.00 15.00 A C -ATOM 134 HG1 LYS A 89 -16.029 -4.558 17.164 1.00 15.00 A H -ATOM 135 HG2 LYS A 89 -16.522 -3.167 18.135 1.00 15.00 A H -ATOM 136 CD LYS A 89 -14.436 -3.628 18.252 1.00 15.00 A C -ATOM 137 HD1 LYS A 89 -14.186 -2.634 18.593 1.00 15.00 A H -ATOM 138 HD2 LYS A 89 -13.666 -3.988 17.588 1.00 15.00 A H -ATOM 139 CE LYS A 89 -14.510 -4.557 19.460 1.00 15.00 A C -ATOM 140 HE1 LYS A 89 -14.909 -5.512 19.145 1.00 15.00 A H -ATOM 141 HE2 LYS A 89 -15.167 -4.120 20.196 1.00 15.00 A H -ATOM 142 NZ LYS A 89 -13.167 -4.774 20.078 1.00 15.00 A N -ATOM 143 HZ1 LYS A 89 -12.518 -5.197 19.383 1.00 15.00 A H -ATOM 144 HZ2 LYS A 89 -13.243 -5.415 20.895 1.00 15.00 A H -ATOM 145 HZ3 LYS A 89 -12.769 -3.868 20.400 1.00 15.00 A H -ATOM 146 C LYS A 89 -16.906 -1.237 14.644 1.00 15.00 A C -ATOM 147 O LYS A 89 -16.370 -1.176 13.537 1.00 15.00 A O -ATOM 148 N PRO A 90 -17.496 -0.163 15.204 1.00 15.00 A N -ATOM 149 CA PRO A 90 -17.538 1.147 14.540 1.00 15.00 A C -ATOM 150 HA PRO A 90 -18.070 1.102 13.599 1.00 15.00 A H -ATOM 151 CB PRO A 90 -18.302 2.041 15.525 1.00 15.00 A C -ATOM 152 HB1 PRO A 90 -19.041 2.620 14.998 1.00 15.00 A H -ATOM 153 HB2 PRO A 90 -17.607 2.697 16.033 1.00 15.00 A H -ATOM 154 CG PRO A 90 -18.966 1.124 16.492 1.00 15.00 A C -ATOM 155 HG1 PRO A 90 -19.969 0.905 16.161 1.00 15.00 A H -ATOM 156 HG2 PRO A 90 -18.986 1.586 17.472 1.00 15.00 A H -ATOM 157 CD PRO A 90 -18.151 -0.136 16.525 1.00 15.00 A C -ATOM 158 HD1 PRO A 90 -18.792 -0.993 16.656 1.00 15.00 A H -ATOM 159 HD2 PRO A 90 -17.417 -0.089 17.319 1.00 15.00 A H -ATOM 160 C PRO A 90 -16.144 1.717 14.313 1.00 15.00 A C -ATOM 161 O PRO A 90 -15.234 1.462 15.094 1.00 15.00 A O -ATOM 162 N GLN A 91 -15.973 2.474 13.232 1.00 15.00 A N -ATOM 163 HN GLN A 91 -16.721 2.606 12.615 1.00 15.00 A H -ATOM 164 CA GLN A 91 -14.688 3.100 12.944 1.00 15.00 A C -ATOM 165 HA GLN A 91 -13.916 2.351 13.047 1.00 15.00 A H -ATOM 166 CB GLN A 91 -14.659 3.664 11.518 1.00 15.00 A C -ATOM 167 HB1 GLN A 91 -15.412 4.432 11.437 1.00 15.00 A H -ATOM 168 HB2 GLN A 91 -14.890 2.867 10.824 1.00 15.00 A H -ATOM 169 CG GLN A 91 -13.317 4.268 11.125 1.00 15.00 A C -ATOM 170 HG1 GLN A 91 -12.574 3.483 11.104 1.00 15.00 A H -ATOM 171 HG2 GLN A 91 -13.040 5.005 11.866 1.00 15.00 A H -ATOM 172 CD GLN A 91 -13.348 4.945 9.769 1.00 15.00 A C -ATOM 173 OE1 GLN A 91 -13.142 4.310 8.737 1.00 15.00 A O -ATOM 174 NE2 GLN A 91 -13.595 6.247 9.771 1.00 15.00 A N -ATOM 175 HE21 GLN A 91 -13.741 6.687 10.632 1.00 15.00 A H -ATOM 176 HE22 GLN A 91 -13.623 6.715 8.910 1.00 15.00 A H -ATOM 177 C GLN A 91 -14.433 4.213 13.954 1.00 15.00 A C -ATOM 178 O GLN A 91 -15.282 5.088 14.142 1.00 15.00 A O -ATOM 179 N CYS A 92 -13.271 4.167 14.611 1.00 15.00 A N -ATOM 180 HN CYS A 92 -12.644 3.437 14.419 1.00 15.00 A H -ATOM 181 CA CYS A 92 -12.912 5.170 15.611 1.00 15.00 A C -ATOM 182 HA CYS A 92 -13.618 5.097 16.423 1.00 15.00 A H -ATOM 183 HB1 CYS A 92 -11.257 5.688 16.878 1.00 15.00 A H -ATOM 184 HB2 CYS A 92 -10.791 4.959 15.347 1.00 15.00 A H -ATOM 185 C CYS A 92 -12.971 6.580 15.038 1.00 15.00 A C -ATOM 186 O CYS A 92 -12.404 6.851 13.977 1.00 15.00 A O -ATOM 187 CB CYS A 92 -11.500 4.914 16.159 1.00 15.00 A C -ATOM 188 SG CYS A 92 -11.285 3.307 16.991 1.00 15.00 A S -ATOM 189 N GLN A 93 -13.692 7.468 15.731 1.00 15.00 A N -ATOM 190 HN GLN A 93 -14.169 7.172 16.534 1.00 15.00 A H -ATOM 191 CA GLN A 93 -13.783 8.867 15.322 1.00 15.00 A C -ATOM 192 HA GLN A 93 -14.061 8.904 14.278 1.00 15.00 A H -ATOM 193 CB GLN A 93 -14.808 9.630 16.168 1.00 15.00 A C -ATOM 194 HB1 GLN A 93 -14.491 10.660 16.246 1.00 15.00 A H -ATOM 195 HB2 GLN A 93 -14.829 9.198 17.156 1.00 15.00 A H -ATOM 196 CG GLN A 93 -16.228 9.612 15.620 1.00 15.00 A C -ATOM 197 HG1 GLN A 93 -16.861 10.189 16.281 1.00 15.00 A H -ATOM 198 HG2 GLN A 93 -16.575 8.591 15.594 1.00 15.00 A H -ATOM 199 CD GLN A 93 -16.339 10.195 14.221 1.00 15.00 A C -ATOM 200 OE1 GLN A 93 -15.486 10.968 13.781 1.00 15.00 A O -ATOM 201 NE2 GLN A 93 -17.414 9.844 13.525 1.00 15.00 A N -ATOM 202 HE21 GLN A 93 -18.061 9.241 13.948 1.00 15.00 A H -ATOM 203 HE22 GLN A 93 -17.517 10.205 12.620 1.00 15.00 A H -ATOM 204 C GLN A 93 -12.413 9.499 15.506 1.00 15.00 A C -ATOM 205 O GLN A 93 -11.927 9.593 16.633 1.00 15.00 A O -ATOM 206 N ILE A 94 -11.779 9.923 14.421 1.00 15.00 A N -ATOM 207 HN ILE A 94 -12.212 9.865 13.545 1.00 15.00 A H -ATOM 208 CA ILE A 94 -10.440 10.476 14.539 1.00 15.00 A C -ATOM 209 HA ILE A 94 -10.114 10.271 15.549 1.00 15.00 A H -ATOM 210 CB ILE A 94 -9.447 9.762 13.591 1.00 15.00 A C -ATOM 211 HB ILE A 94 -8.445 10.005 13.913 1.00 15.00 A H -ATOM 212 CG1 ILE A 94 -9.626 10.202 12.138 1.00 15.00 A C -ATOM 213 HG11 ILE A 94 -9.990 11.219 12.112 1.00 15.00 A H -ATOM 214 HG12 ILE A 94 -10.341 9.551 11.653 1.00 15.00 A H -ATOM 215 CG2 ILE A 94 -9.618 8.252 13.703 1.00 15.00 A C -ATOM 216 HG21 ILE A 94 -9.013 7.762 12.953 1.00 15.00 A H -ATOM 217 HG22 ILE A 94 -10.658 7.994 13.552 1.00 15.00 A H -ATOM 218 HG23 ILE A 94 -9.308 7.927 14.683 1.00 15.00 A H -ATOM 219 CD1 ILE A 94 -8.341 10.148 11.343 1.00 15.00 A C -ATOM 220 HD11 ILE A 94 -7.921 9.152 11.408 1.00 15.00 A H -ATOM 221 HD12 ILE A 94 -7.640 10.860 11.748 1.00 15.00 A H -ATOM 222 HD13 ILE A 94 -8.542 10.384 10.311 1.00 15.00 A H -ATOM 223 C ILE A 94 -10.377 11.990 14.339 1.00 15.00 A C -ATOM 224 O ILE A 94 -11.161 12.583 13.599 1.00 15.00 A O -ATOM 225 N THR A 95 -9.428 12.584 15.055 1.00 15.00 A N -ATOM 226 HN THR A 95 -8.871 12.022 15.633 1.00 15.00 A H -ATOM 227 CA THR A 95 -9.159 14.012 15.026 1.00 15.00 A C -ATOM 228 HA THR A 95 -10.041 14.527 14.675 1.00 15.00 A H -ATOM 229 CB THR A 95 -8.816 14.511 16.453 1.00 15.00 A C -ATOM 230 HB THR A 95 -8.030 13.884 16.857 1.00 15.00 A H -ATOM 231 OG1 THR A 95 -9.966 14.397 17.299 1.00 15.00 A O -ATOM 232 HG1 THR A 95 -10.432 13.583 17.097 1.00 15.00 A H -ATOM 233 CG2 THR A 95 -8.331 15.953 16.449 1.00 15.00 A C -ATOM 234 HG21 THR A 95 -7.397 16.019 16.988 1.00 15.00 A H -ATOM 235 HG22 THR A 95 -9.068 16.582 16.926 1.00 15.00 A H -ATOM 236 HG23 THR A 95 -8.185 16.277 15.430 1.00 15.00 A H -ATOM 237 C THR A 95 -7.993 14.279 14.077 1.00 15.00 A C -ATOM 238 O THR A 95 -7.818 15.381 13.555 1.00 15.00 A O -ATOM 239 N GLY A 96 -7.222 13.224 13.834 1.00 15.00 A N -ATOM 240 HN GLY A 96 -7.450 12.365 14.250 1.00 15.00 A H -ATOM 241 CA GLY A 96 -6.069 13.305 12.964 1.00 15.00 A C -ATOM 242 HA1 GLY A 96 -5.498 14.183 13.215 1.00 15.00 A H -ATOM 243 HA2 GLY A 96 -6.406 13.380 11.939 1.00 15.00 A H -ATOM 244 C GLY A 96 -5.186 12.087 13.105 1.00 15.00 A C -ATOM 245 O GLY A 96 -5.682 10.983 13.332 1.00 15.00 A O -ATOM 246 N PHE A 97 -3.878 12.274 12.971 1.00 15.00 A N -ATOM 247 HN PHE A 97 -3.532 13.174 12.784 1.00 15.00 A H -ATOM 248 CA PHE A 97 -2.952 11.157 13.098 1.00 15.00 A C -ATOM 249 HA PHE A 97 -3.486 10.351 13.574 1.00 15.00 A H -ATOM 250 CB PHE A 97 -2.470 10.676 11.730 1.00 15.00 A C -ATOM 251 HB1 PHE A 97 -1.770 9.868 11.872 1.00 15.00 A H -ATOM 252 HB2 PHE A 97 -1.977 11.487 11.218 1.00 15.00 A H -ATOM 253 CG PHE A 97 -3.578 10.175 10.851 1.00 15.00 A C -ATOM 254 CD1 PHE A 97 -3.981 8.850 10.903 1.00 15.00 A C -ATOM 255 HD1 PHE A 97 -3.498 8.174 11.595 1.00 15.00 A H -ATOM 256 CD2 PHE A 97 -4.216 11.032 9.967 1.00 15.00 A C -ATOM 257 HD2 PHE A 97 -3.904 12.066 9.916 1.00 15.00 A H -ATOM 258 CE1 PHE A 97 -5.002 8.390 10.090 1.00 15.00 A C -ATOM 259 HE1 PHE A 97 -5.303 7.354 10.133 1.00 15.00 A H -ATOM 260 CE2 PHE A 97 -5.236 10.578 9.155 1.00 15.00 A C -ATOM 261 HE2 PHE A 97 -5.726 11.257 8.477 1.00 15.00 A H -ATOM 262 CZ PHE A 97 -5.631 9.256 9.218 1.00 15.00 A C -ATOM 263 HZ PHE A 97 -6.430 8.902 8.586 1.00 15.00 A H -ATOM 264 C PHE A 97 -1.761 11.513 13.970 1.00 15.00 A C -ATOM 265 O PHE A 97 -1.220 12.618 13.902 1.00 15.00 A O -ATOM 266 N ALA A 98 -1.370 10.557 14.794 1.00 15.00 A N -ATOM 267 HN ALA A 98 -1.859 9.706 14.794 1.00 15.00 A H -ATOM 268 CA ALA A 98 -0.247 10.717 15.695 1.00 15.00 A C -ATOM 269 HA ALA A 98 0.073 11.747 15.658 1.00 15.00 A H -ATOM 270 CB ALA A 98 -0.671 10.394 17.118 1.00 15.00 A C -ATOM 271 HB1 ALA A 98 -1.087 9.399 17.151 1.00 15.00 A H -ATOM 272 HB2 ALA A 98 -1.414 11.107 17.440 1.00 15.00 A H -ATOM 273 HB3 ALA A 98 0.187 10.447 17.770 1.00 15.00 A H -ATOM 274 C ALA A 98 0.901 9.814 15.266 1.00 15.00 A C -ATOM 275 O ALA A 98 0.680 8.789 14.621 1.00 15.00 A O -ATOM 276 N PRO A 99 2.146 10.182 15.612 1.00 15.00 A N -ATOM 277 CA PRO A 99 3.325 9.385 15.259 1.00 15.00 A C -ATOM 278 HA PRO A 99 3.414 9.272 14.187 1.00 15.00 A H -ATOM 279 CB PRO A 99 4.502 10.207 15.798 1.00 15.00 A C -ATOM 280 HB1 PRO A 99 5.280 10.258 15.055 1.00 15.00 A H -ATOM 281 HB2 PRO A 99 4.880 9.756 16.706 1.00 15.00 A H -ATOM 282 CG PRO A 99 3.958 11.570 16.062 1.00 15.00 A C -ATOM 283 HG1 PRO A 99 4.073 12.187 15.183 1.00 15.00 A H -ATOM 284 HG2 PRO A 99 4.473 12.013 16.904 1.00 15.00 A H -ATOM 285 CD PRO A 99 2.505 11.391 16.374 1.00 15.00 A C -ATOM 286 HD1 PRO A 99 1.936 12.242 16.031 1.00 15.00 A H -ATOM 287 HD2 PRO A 99 2.362 11.238 17.434 1.00 15.00 A H -ATOM 288 C PRO A 99 3.265 8.008 15.905 1.00 15.00 A C -ATOM 289 O PRO A 99 2.922 7.882 17.083 1.00 15.00 A O -ATOM 290 N PHE A 100 3.603 6.979 15.136 1.00 15.00 A N -ATOM 291 HN PHE A 100 3.923 7.144 14.225 1.00 15.00 A H -ATOM 292 CA PHE A 100 3.538 5.613 15.640 1.00 15.00 A C -ATOM 293 HA PHE A 100 3.236 5.669 16.673 1.00 15.00 A H -ATOM 294 CB PHE A 100 2.475 4.826 14.867 1.00 15.00 A C -ATOM 295 HB1 PHE A 100 2.830 4.651 13.868 1.00 15.00 A H -ATOM 296 HB2 PHE A 100 1.574 5.413 14.824 1.00 15.00 A H -ATOM 297 CG PHE A 100 2.114 3.492 15.460 1.00 15.00 A C -ATOM 298 CD1 PHE A 100 2.004 3.322 16.835 1.00 15.00 A C -ATOM 299 HD1 PHE A 100 2.210 4.152 17.487 1.00 15.00 A H -ATOM 300 CD2 PHE A 100 1.864 2.408 14.631 1.00 15.00 A C -ATOM 301 HD2 PHE A 100 1.965 2.523 13.562 1.00 15.00 A H -ATOM 302 CE1 PHE A 100 1.651 2.097 17.368 1.00 15.00 A C -ATOM 303 HE1 PHE A 100 1.586 1.970 18.442 1.00 15.00 A H -ATOM 304 CE2 PHE A 100 1.519 1.183 15.160 1.00 15.00 A C -ATOM 305 HE2 PHE A 100 1.346 0.344 14.505 1.00 15.00 A H -ATOM 306 CZ PHE A 100 1.405 1.024 16.531 1.00 15.00 A C -ATOM 307 HZ PHE A 100 1.142 0.064 16.946 1.00 15.00 A H -ATOM 308 C PHE A 100 4.893 4.898 15.574 1.00 15.00 A C -ATOM 309 O PHE A 100 5.327 4.318 16.576 1.00 15.00 A O -ATOM 310 N SER A 101 5.571 4.937 14.419 1.00 15.00 A N -ATOM 311 HN SER A 101 5.200 5.423 13.647 1.00 15.00 A H -ATOM 312 CA SER A 101 6.864 4.249 14.301 1.00 15.00 A C -ATOM 313 HA SER A 101 7.385 4.393 15.232 1.00 15.00 A H -ATOM 314 CB SER A 101 6.638 2.741 14.107 1.00 15.00 A C -ATOM 315 HB1 SER A 101 6.327 2.551 13.089 1.00 15.00 A H -ATOM 316 HB2 SER A 101 5.868 2.405 14.784 1.00 15.00 A H -ATOM 317 OG SER A 101 7.823 2.005 14.369 1.00 15.00 A O -ATOM 318 HG SER A 101 7.798 1.178 13.881 1.00 15.00 A H -ATOM 319 C SER A 101 7.756 4.787 13.169 1.00 15.00 A C -ATOM 320 O SER A 101 7.318 5.548 12.308 1.00 15.00 A O -ATOM 321 N LYS A 102 9.025 4.355 13.207 1.00 15.00 A N -ATOM 322 HN LYS A 102 9.285 3.760 13.940 1.00 15.00 A H -ATOM 323 CA LYS A 102 10.055 4.722 12.230 1.00 15.00 A C -ATOM 324 HA LYS A 102 9.639 4.623 11.238 1.00 15.00 A H -ATOM 325 CB LYS A 102 10.499 6.171 12.463 1.00 15.00 A C -ATOM 326 HB1 LYS A 102 10.953 6.240 13.440 1.00 15.00 A H -ATOM 327 HB2 LYS A 102 9.630 6.810 12.436 1.00 15.00 A H -ATOM 328 CG LYS A 102 11.494 6.679 11.438 1.00 15.00 A C -ATOM 329 HG1 LYS A 102 11.406 6.081 10.545 1.00 15.00 A H -ATOM 330 HG2 LYS A 102 12.490 6.587 11.845 1.00 15.00 A H -ATOM 331 CD LYS A 102 11.239 8.137 11.088 1.00 15.00 A C -ATOM 332 HD1 LYS A 102 10.700 8.605 11.900 1.00 15.00 A H -ATOM 333 HD2 LYS A 102 10.647 8.181 10.187 1.00 15.00 A H -ATOM 334 CE LYS A 102 12.538 8.888 10.857 1.00 15.00 A C -ATOM 335 HE1 LYS A 102 13.121 8.862 11.766 1.00 15.00 A H -ATOM 336 HE2 LYS A 102 12.308 9.914 10.610 1.00 15.00 A H -ATOM 337 NZ LYS A 102 13.337 8.289 9.751 1.00 15.00 A N -ATOM 338 HZ1 LYS A 102 12.757 8.219 8.890 1.00 15.00 A H -ATOM 339 HZ2 LYS A 102 13.661 7.337 10.017 1.00 15.00 A H -ATOM 340 HZ3 LYS A 102 14.168 8.882 9.549 1.00 15.00 A H -ATOM 341 C LYS A 102 11.234 3.754 12.389 1.00 15.00 A C -ATOM 342 O LYS A 102 11.758 3.599 13.492 1.00 15.00 A O -ATOM 343 N ASP A 103 11.653 3.098 11.303 1.00 15.00 A N -ATOM 344 HN ASP A 103 11.234 3.278 10.434 1.00 15.00 A H -ATOM 345 CA ASP A 103 12.727 2.101 11.400 1.00 15.00 A C -ATOM 346 HA ASP A 103 12.746 1.787 12.434 1.00 15.00 A H -ATOM 347 CB ASP A 103 12.384 0.859 10.554 1.00 15.00 A C -ATOM 348 HB1 ASP A 103 11.417 0.489 10.871 1.00 15.00 A H -ATOM 349 HB2 ASP A 103 13.123 0.096 10.737 1.00 15.00 A H -ATOM 350 CG ASP A 103 12.321 1.111 9.052 1.00 15.00 A C -ATOM 351 OD1 ASP A 103 12.559 2.256 8.610 1.00 15.00 A O -ATOM 352 OD2 ASP A 103 12.028 0.147 8.313 1.00 15.00 A O -ATOM 353 C ASP A 103 14.132 2.637 11.070 1.00 15.00 A C -ATOM 354 O ASP A 103 15.121 2.021 11.468 1.00 15.00 A O -ATOM 355 N ASN A 104 14.221 3.769 10.354 1.00 15.00 A N -ATOM 356 HN ASN A 104 13.397 4.204 10.053 1.00 15.00 A H -ATOM 357 CA ASN A 104 15.521 4.376 10.000 1.00 15.00 A C -ATOM 358 HA ASN A 104 15.333 5.194 9.325 1.00 15.00 A H -ATOM 359 CB ASN A 104 16.211 4.923 11.255 1.00 15.00 A C -ATOM 360 HB1 ASN A 104 17.210 5.244 10.998 1.00 15.00 A H -ATOM 361 HB2 ASN A 104 16.274 4.139 11.995 1.00 15.00 A H -ATOM 362 CG ASN A 104 15.471 6.094 11.859 1.00 15.00 A C -ATOM 363 OD1 ASN A 104 14.648 5.929 12.760 1.00 15.00 A O -ATOM 364 ND2 ASN A 104 15.759 7.284 11.356 1.00 15.00 A N -ATOM 365 HD21 ASN A 104 16.420 7.332 10.635 1.00 15.00 A H -ATOM 366 HD22 ASN A 104 15.299 8.066 11.725 1.00 15.00 A H -ATOM 367 C ASN A 104 16.460 3.379 9.315 1.00 15.00 A C -ATOM 368 O ASN A 104 17.650 3.334 9.615 1.00 15.00 A O -ATOM 369 N SER A 105 15.927 2.611 8.377 1.00 15.00 A N -ATOM 370 HN SER A 105 14.978 2.728 8.146 1.00 15.00 A H -ATOM 371 CA SER A 105 16.705 1.590 7.678 1.00 15.00 A C -ATOM 372 HA SER A 105 17.096 0.919 8.430 1.00 15.00 A H -ATOM 373 CB SER A 105 15.793 0.786 6.758 1.00 15.00 A C -ATOM 374 HB1 SER A 105 16.377 0.353 5.964 1.00 15.00 A H -ATOM 375 HB2 SER A 105 15.038 1.436 6.343 1.00 15.00 A H -ATOM 376 OG SER A 105 15.156 -0.252 7.476 1.00 15.00 A O -ATOM 377 HG SER A 105 15.780 -0.638 8.097 1.00 15.00 A H -ATOM 378 C SER A 105 17.882 2.152 6.880 1.00 15.00 A C -ATOM 379 O SER A 105 18.968 1.574 6.902 1.00 15.00 A O -ATOM 380 N ILE A 106 17.681 3.276 6.194 1.00 15.00 A N -ATOM 381 HN ILE A 106 16.812 3.725 6.248 1.00 15.00 A H -ATOM 382 CA ILE A 106 18.742 3.857 5.366 1.00 15.00 A C -ATOM 383 HA ILE A 106 19.154 3.047 4.781 1.00 15.00 A H -ATOM 384 CB ILE A 106 18.185 4.900 4.370 1.00 15.00 A C -ATOM 385 HB ILE A 106 17.799 5.736 4.929 1.00 15.00 A H -ATOM 386 CG1 ILE A 106 17.049 4.280 3.539 1.00 15.00 A C -ATOM 387 HG11 ILE A 106 16.628 5.039 2.896 1.00 15.00 A H -ATOM 388 HG12 ILE A 106 16.284 3.914 4.207 1.00 15.00 A H -ATOM 389 CG2 ILE A 106 19.294 5.409 3.453 1.00 15.00 A C -ATOM 390 HG21 ILE A 106 18.899 6.163 2.787 1.00 15.00 A H -ATOM 391 HG22 ILE A 106 19.686 4.589 2.875 1.00 15.00 A H -ATOM 392 HG23 ILE A 106 20.085 5.839 4.051 1.00 15.00 A H -ATOM 393 CD1 ILE A 106 17.489 3.121 2.669 1.00 15.00 A C -ATOM 394 HD11 ILE A 106 18.075 2.432 3.258 1.00 15.00 A H -ATOM 395 HD12 ILE A 106 18.085 3.492 1.848 1.00 15.00 A H -ATOM 396 HD13 ILE A 106 16.621 2.610 2.280 1.00 15.00 A H -ATOM 397 C ILE A 106 19.892 4.454 6.194 1.00 15.00 A C -ATOM 398 O ILE A 106 21.057 4.269 5.835 1.00 15.00 A O -ATOM 399 N ARG A 107 19.590 5.156 7.294 1.00 15.00 A N -ATOM 400 HN ARG A 107 18.652 5.295 7.539 1.00 15.00 A H -ATOM 401 CA ARG A 107 20.657 5.723 8.136 1.00 15.00 A C -ATOM 402 HA ARG A 107 21.269 6.362 7.514 1.00 15.00 A H -ATOM 403 CB ARG A 107 20.107 6.543 9.315 1.00 15.00 A C -ATOM 404 HB1 ARG A 107 20.938 7.030 9.805 1.00 15.00 A H -ATOM 405 HB2 ARG A 107 19.642 5.869 10.020 1.00 15.00 A H -ATOM 406 CG ARG A 107 19.092 7.609 8.949 1.00 15.00 A C -ATOM 407 HG1 ARG A 107 18.188 7.125 8.607 1.00 15.00 A H -ATOM 408 HG2 ARG A 107 19.496 8.228 8.162 1.00 15.00 A H -ATOM 409 CD ARG A 107 18.760 8.484 10.154 1.00 15.00 A C -ATOM 410 HD1 ARG A 107 18.806 7.870 11.043 1.00 15.00 A H -ATOM 411 HD2 ARG A 107 17.758 8.870 10.036 1.00 15.00 A H -ATOM 412 NE ARG A 107 19.679 9.613 10.314 1.00 15.00 A N -ATOM 413 HE ARG A 107 19.984 10.071 9.499 1.00 15.00 A H -ATOM 414 CZ ARG A 107 20.111 10.063 11.495 1.00 15.00 A C -ATOM 415 NH1 ARG A 107 19.727 9.469 12.624 1.00 15.00 A N -ATOM 416 HH11 ARG A 107 19.087 8.652 12.592 1.00 15.00 A H -ATOM 417 HH12 ARG A 107 20.064 9.824 13.542 1.00 15.00 A H -ATOM 418 NH2 ARG A 107 20.919 11.115 11.549 1.00 15.00 A N -ATOM 419 HH21 ARG A 107 21.215 11.588 10.670 1.00 15.00 A H -ATOM 420 HH22 ARG A 107 21.255 11.468 12.470 1.00 15.00 A H -ATOM 421 C ARG A 107 21.529 4.601 8.701 1.00 15.00 A C -ATOM 422 O ARG A 107 22.755 4.713 8.759 1.00 15.00 A O -ATOM 423 N LEU A 108 20.870 3.516 9.106 1.00 15.00 A N -ATOM 424 HN LEU A 108 19.895 3.501 9.012 1.00 15.00 A H -ATOM 425 CA LEU A 108 21.534 2.348 9.689 1.00 15.00 A C -ATOM 426 HA LEU A 108 22.161 2.684 10.501 1.00 15.00 A H -ATOM 427 CB LEU A 108 20.484 1.387 10.242 1.00 15.00 A C -ATOM 428 HB1 LEU A 108 20.985 0.490 10.573 1.00 15.00 A H -ATOM 429 HB2 LEU A 108 19.810 1.128 9.438 1.00 15.00 A H -ATOM 430 CG LEU A 108 19.648 1.925 11.401 1.00 15.00 A C -ATOM 431 HG LEU A 108 19.269 2.902 11.139 1.00 15.00 A H -ATOM 432 CD1 LEU A 108 18.456 1.016 11.666 1.00 15.00 A C -ATOM 433 HD11 LEU A 108 17.729 1.140 10.875 1.00 15.00 A H -ATOM 434 HD12 LEU A 108 18.004 1.277 12.611 1.00 15.00 A H -ATOM 435 HD13 LEU A 108 18.783 -0.012 11.694 1.00 15.00 A H -ATOM 436 CD2 LEU A 108 20.510 2.078 12.648 1.00 15.00 A C -ATOM 437 HD21 LEU A 108 21.349 2.719 12.429 1.00 15.00 A H -ATOM 438 HD22 LEU A 108 20.869 1.107 12.959 1.00 15.00 A H -ATOM 439 HD23 LEU A 108 19.921 2.513 13.440 1.00 15.00 A H -ATOM 440 C LEU A 108 22.386 1.594 8.675 1.00 15.00 A C -ATOM 441 O LEU A 108 23.373 0.955 9.041 1.00 15.00 A O -ATOM 442 N SER A 109 21.986 1.659 7.408 1.00 15.00 A N -ATOM 443 HN SER A 109 21.195 2.196 7.190 1.00 15.00 A H -ATOM 444 CA SER A 109 22.686 0.958 6.330 1.00 15.00 A C -ATOM 445 HA SER A 109 22.724 -0.089 6.596 1.00 15.00 A H -ATOM 446 CB SER A 109 21.907 1.099 5.021 1.00 15.00 A C -ATOM 447 HB1 SER A 109 22.492 0.685 4.211 1.00 15.00 A H -ATOM 448 HB2 SER A 109 21.720 2.144 4.832 1.00 15.00 A H -ATOM 449 OG SER A 109 20.665 0.421 5.077 1.00 15.00 A O -ATOM 450 HG SER A 109 19.950 1.063 5.112 1.00 15.00 A H -ATOM 451 C SER A 109 24.120 1.461 6.130 1.00 15.00 A C -ATOM 452 O SER A 109 24.966 0.734 5.607 1.00 15.00 A O -ATOM 453 N ALA A 110 24.392 2.696 6.555 1.00 15.00 A N -ATOM 454 HN ALA A 110 23.683 3.223 6.979 1.00 15.00 A H -ATOM 455 CA ALA A 110 25.729 3.277 6.415 1.00 15.00 A C -ATOM 456 HA ALA A 110 26.137 2.939 5.475 1.00 15.00 A H -ATOM 457 CB ALA A 110 25.648 4.799 6.377 1.00 15.00 A C -ATOM 458 HB1 ALA A 110 25.292 5.165 7.328 1.00 15.00 A H -ATOM 459 HB2 ALA A 110 24.966 5.104 5.595 1.00 15.00 A H -ATOM 460 HB3 ALA A 110 26.628 5.209 6.179 1.00 15.00 A H -ATOM 461 C ALA A 110 26.653 2.816 7.544 1.00 15.00 A C -ATOM 462 O ALA A 110 27.806 3.240 7.635 1.00 15.00 A O -ATOM 463 N GLY A 111 26.134 1.937 8.395 1.00 15.00 A N -ATOM 464 HN GLY A 111 25.209 1.637 8.265 1.00 15.00 A H -ATOM 465 CA GLY A 111 26.902 1.409 9.509 1.00 15.00 A C -ATOM 466 HA1 GLY A 111 26.914 2.134 10.310 1.00 15.00 A H -ATOM 467 HA2 GLY A 111 27.912 1.222 9.182 1.00 15.00 A H -ATOM 468 C GLY A 111 26.302 0.120 10.021 1.00 15.00 A C -ATOM 469 O GLY A 111 26.119 -0.064 11.226 1.00 15.00 A O -ATOM 470 N GLY A 112 25.997 -0.770 9.087 1.00 15.00 A N -ATOM 471 HN GLY A 112 26.184 -0.558 8.151 1.00 15.00 A H -ATOM 472 CA GLY A 112 25.400 -2.042 9.423 1.00 15.00 A C -ATOM 473 HA1 GLY A 112 24.585 -1.877 10.112 1.00 15.00 A H -ATOM 474 HA2 GLY A 112 26.144 -2.665 9.901 1.00 15.00 A H -ATOM 475 C GLY A 112 24.870 -2.754 8.194 1.00 15.00 A C -ATOM 476 O GLY A 112 24.684 -2.136 7.144 1.00 15.00 A O -ATOM 477 N ASP A 113 24.622 -4.051 8.323 1.00 15.00 A N -ATOM 478 HN ASP A 113 24.780 -4.483 9.188 1.00 15.00 A H -ATOM 479 CA ASP A 113 24.118 -4.853 7.210 1.00 15.00 A C -ATOM 480 HA ASP A 113 24.516 -4.434 6.295 1.00 15.00 A H -ATOM 481 CB ASP A 113 24.613 -6.295 7.352 1.00 15.00 A C -ATOM 482 HB1 ASP A 113 24.377 -6.842 6.453 1.00 15.00 A H -ATOM 483 HB2 ASP A 113 24.116 -6.756 8.194 1.00 15.00 A H -ATOM 484 CG ASP A 113 26.114 -6.371 7.583 1.00 15.00 A C -ATOM 485 OD1 ASP A 113 26.872 -5.794 6.775 1.00 15.00 A O -ATOM 486 OD2 ASP A 113 26.528 -7.008 8.574 1.00 15.00 A O -ATOM 487 C ASP A 113 22.590 -4.811 7.144 1.00 15.00 A C -ATOM 488 O ASP A 113 21.911 -5.603 7.798 1.00 15.00 A O -ATOM 489 N ILE A 114 22.054 -3.887 6.343 1.00 15.00 A N -ATOM 490 HN ILE A 114 22.646 -3.292 5.837 1.00 15.00 A H -ATOM 491 CA ILE A 114 20.602 -3.735 6.213 1.00 15.00 A C -ATOM 492 HA ILE A 114 20.143 -4.400 6.930 1.00 15.00 A H -ATOM 493 CB ILE A 114 20.157 -2.290 6.545 1.00 15.00 A C -ATOM 494 HB ILE A 114 20.651 -1.614 5.862 1.00 15.00 A H -ATOM 495 CG1 ILE A 114 20.561 -1.938 7.977 1.00 15.00 A C -ATOM 496 HG11 ILE A 114 20.392 -0.884 8.142 1.00 15.00 A H -ATOM 497 HG12 ILE A 114 21.611 -2.154 8.111 1.00 15.00 A H -ATOM 498 CG2 ILE A 114 18.651 -2.120 6.374 1.00 15.00 A C -ATOM 499 HG21 ILE A 114 18.335 -1.212 6.866 1.00 15.00 A H -ATOM 500 HG22 ILE A 114 18.143 -2.964 6.818 1.00 15.00 A H -ATOM 501 HG23 ILE A 114 18.409 -2.065 5.324 1.00 15.00 A H -ATOM 502 CD1 ILE A 114 19.789 -2.708 9.029 1.00 15.00 A C -ATOM 503 HD11 ILE A 114 20.005 -2.305 10.005 1.00 15.00 A H -ATOM 504 HD12 ILE A 114 20.080 -3.750 8.998 1.00 15.00 A H -ATOM 505 HD13 ILE A 114 18.729 -2.628 8.830 1.00 15.00 A H -ATOM 506 C ILE A 114 20.112 -4.121 4.815 1.00 15.00 A C -ATOM 507 O ILE A 114 20.721 -3.763 3.808 1.00 15.00 A O -ATOM 508 N TRP A 115 18.999 -4.855 4.784 1.00 15.00 A N -ATOM 509 HN TRP A 115 18.570 -5.086 5.634 1.00 15.00 A H -ATOM 510 CA TRP A 115 18.382 -5.330 3.540 1.00 15.00 A C -ATOM 511 HA TRP A 115 19.086 -5.968 3.029 1.00 15.00 A H -ATOM 512 CB TRP A 115 17.111 -6.132 3.859 1.00 15.00 A C -ATOM 513 HB1 TRP A 115 16.425 -6.029 3.032 1.00 15.00 A H -ATOM 514 HB2 TRP A 115 16.659 -5.709 4.739 1.00 15.00 A H -ATOM 515 CG TRP A 115 17.305 -7.593 4.112 1.00 15.00 A C -ATOM 516 CD1 TRP A 115 17.540 -8.188 5.315 1.00 15.00 A C -ATOM 517 HD1 TRP A 115 17.632 -7.649 6.245 1.00 15.00 A H -ATOM 518 CD2 TRP A 115 17.239 -8.649 3.147 1.00 15.00 A C -ATOM 519 NE1 TRP A 115 17.643 -9.546 5.162 1.00 15.00 A N -ATOM 520 HE1 TRP A 115 17.815 -10.190 5.879 1.00 15.00 A H -ATOM 521 CE2 TRP A 115 17.467 -9.854 3.835 1.00 15.00 A C -ATOM 522 CE3 TRP A 115 17.029 -8.695 1.765 1.00 15.00 A C -ATOM 523 HE3 TRP A 115 16.863 -7.795 1.201 1.00 15.00 A H -ATOM 524 CZ2 TRP A 115 17.471 -11.093 3.192 1.00 15.00 A C -ATOM 525 HZ2 TRP A 115 17.636 -12.023 3.735 1.00 15.00 A H -ATOM 526 CZ3 TRP A 115 17.034 -9.922 1.126 1.00 15.00 A C -ATOM 527 HZ3 TRP A 115 16.865 -9.977 0.061 1.00 15.00 A H -ATOM 528 CH2 TRP A 115 17.259 -11.108 1.838 1.00 15.00 A C -ATOM 529 HH2 TRP A 115 17.264 -12.041 1.301 1.00 15.00 A H -ATOM 530 C TRP A 115 17.966 -4.185 2.612 1.00 15.00 A C -ATOM 531 O TRP A 115 17.515 -3.133 3.068 1.00 15.00 A O -ATOM 532 N VAL A 116 18.104 -4.413 1.306 1.00 15.00 A N -ATOM 533 HN VAL A 116 18.498 -5.260 1.006 1.00 15.00 A H -ATOM 534 CA VAL A 116 17.669 -3.442 0.306 1.00 15.00 A C -ATOM 535 HA VAL A 116 17.721 -2.457 0.742 1.00 15.00 A H -ATOM 536 CB VAL A 116 18.520 -3.481 -0.983 1.00 15.00 A C -ATOM 537 HB VAL A 116 18.607 -4.511 -1.303 1.00 15.00 A H -ATOM 538 CG1 VAL A 116 17.838 -2.694 -2.093 1.00 15.00 A C -ATOM 539 HG11 VAL A 116 18.470 -2.678 -2.966 1.00 15.00 A H -ATOM 540 HG12 VAL A 116 17.656 -1.684 -1.758 1.00 15.00 A H -ATOM 541 HG13 VAL A 116 16.896 -3.165 -2.338 1.00 15.00 A H -ATOM 542 CG2 VAL A 116 19.914 -2.941 -0.728 1.00 15.00 A C -ATOM 543 HG21 VAL A 116 20.345 -3.440 0.127 1.00 15.00 A H -ATOM 544 HG22 VAL A 116 19.860 -1.879 -0.535 1.00 15.00 A H -ATOM 545 HG23 VAL A 116 20.532 -3.118 -1.597 1.00 15.00 A H -ATOM 546 C VAL A 116 16.227 -3.762 -0.040 1.00 15.00 A C -ATOM 547 O VAL A 116 15.937 -4.854 -0.530 1.00 15.00 A O -ATOM 548 N THR A 117 15.317 -2.835 0.222 1.00 15.00 A N -ATOM 549 HN THR A 117 15.593 -1.969 0.590 1.00 15.00 A H -ATOM 550 CA THR A 117 13.907 -3.107 -0.024 1.00 15.00 A C -ATOM 551 HA THR A 117 13.846 -3.981 -0.649 1.00 15.00 A H -ATOM 552 CB THR A 117 13.180 -3.432 1.298 1.00 15.00 A C -ATOM 553 HB THR A 117 12.169 -3.731 1.070 1.00 15.00 A H -ATOM 554 OG1 THR A 117 13.147 -2.274 2.145 1.00 15.00 A O -ATOM 555 HG1 THR A 117 12.816 -1.523 1.651 1.00 15.00 A H -ATOM 556 CG2 THR A 117 13.866 -4.571 2.038 1.00 15.00 A C -ATOM 557 HG21 THR A 117 14.892 -4.647 1.706 1.00 15.00 A H -ATOM 558 HG22 THR A 117 13.352 -5.498 1.835 1.00 15.00 A H -ATOM 559 HG23 THR A 117 13.847 -4.374 3.099 1.00 15.00 A H -ATOM 560 C THR A 117 13.155 -1.968 -0.703 1.00 15.00 A C -ATOM 561 O THR A 117 13.706 -0.905 -0.992 1.00 15.00 A O ATOM 562 N ARG A 118 11.870 -2.253 -0.934 1.00 15.00 A N ATOM 563 HN ARG A 118 11.555 -3.145 -0.683 1.00 15.00 A H ATOM 564 CA ARG A 118 10.904 -1.339 -1.535 1.00 15.00 A C @@ -639,467 +78,6 @@ ATOM 597 OE1 GLU A 119 8.857 -3.260 -4.468 1.00 15.00 A O ATOM 598 OE2 GLU A 119 8.477 -1.354 -5.489 1.00 15.00 A O ATOM 599 C GLU A 119 6.813 -2.234 -0.209 1.00 15.00 A C ATOM 600 O GLU A 119 6.451 -3.404 -0.078 1.00 15.00 A O -ATOM 601 N PRO A 120 6.991 -1.428 0.845 1.00 15.00 A N -ATOM 602 CA PRO A 120 6.777 -1.873 2.206 1.00 15.00 A C -ATOM 603 HA PRO A 120 7.087 -2.897 2.354 1.00 15.00 A H -ATOM 604 CB PRO A 120 7.690 -0.933 2.983 1.00 15.00 A C -ATOM 605 HB1 PRO A 120 8.708 -1.288 2.949 1.00 15.00 A H -ATOM 606 HB2 PRO A 120 7.350 -0.840 4.006 1.00 15.00 A H -ATOM 607 CG PRO A 120 7.571 0.354 2.251 1.00 15.00 A C -ATOM 608 HG1 PRO A 120 8.465 0.942 2.385 1.00 15.00 A H -ATOM 609 HG2 PRO A 120 6.704 0.893 2.603 1.00 15.00 A H -ATOM 610 CD PRO A 120 7.410 -0.014 0.800 1.00 15.00 A C -ATOM 611 HD1 PRO A 120 8.352 0.090 0.275 1.00 15.00 A H -ATOM 612 HD2 PRO A 120 6.655 0.597 0.338 1.00 15.00 A H -ATOM 613 C PRO A 120 5.335 -1.696 2.632 1.00 15.00 A C -ATOM 614 O PRO A 120 4.561 -1.005 1.970 1.00 15.00 A O -ATOM 615 N TYR A 121 4.989 -2.337 3.730 1.00 15.00 A N -ATOM 616 HN TYR A 121 5.659 -2.891 4.182 1.00 15.00 A H -ATOM 617 CA TYR A 121 3.657 -2.252 4.292 1.00 15.00 A C -ATOM 618 HA TYR A 121 3.440 -1.209 4.447 1.00 15.00 A H -ATOM 619 CB TYR A 121 2.593 -2.849 3.365 1.00 15.00 A C -ATOM 620 HB1 TYR A 121 2.637 -2.353 2.412 1.00 15.00 A H -ATOM 621 HB2 TYR A 121 1.619 -2.671 3.801 1.00 15.00 A H -ATOM 622 CG TYR A 121 2.721 -4.333 3.122 1.00 15.00 A C -ATOM 623 CD1 TYR A 121 3.524 -4.823 2.103 1.00 15.00 A C -ATOM 624 HD1 TYR A 121 4.081 -4.132 1.498 1.00 15.00 A H -ATOM 625 CD2 TYR A 121 2.001 -5.250 3.888 1.00 15.00 A C -ATOM 626 HD2 TYR A 121 1.364 -4.882 4.683 1.00 15.00 A H -ATOM 627 CE1 TYR A 121 3.618 -6.170 1.857 1.00 15.00 A C -ATOM 628 HE1 TYR A 121 4.261 -6.533 1.060 1.00 15.00 A H -ATOM 629 CE2 TYR A 121 2.097 -6.607 3.651 1.00 15.00 A C -ATOM 630 HE2 TYR A 121 1.553 -7.306 4.260 1.00 15.00 A H -ATOM 631 CZ TYR A 121 2.901 -7.057 2.630 1.00 15.00 A C -ATOM 632 OH TYR A 121 2.990 -8.392 2.374 1.00 15.00 A O -ATOM 633 HH TYR A 121 2.107 -8.763 2.325 1.00 15.00 A H -ATOM 634 C TYR A 121 3.629 -2.944 5.627 1.00 15.00 A C -ATOM 635 O TYR A 121 4.440 -3.825 5.891 1.00 15.00 A O -ATOM 636 N VAL A 122 2.711 -2.537 6.475 1.00 15.00 A N -ATOM 637 HN VAL A 122 2.096 -1.819 6.215 1.00 15.00 A H -ATOM 638 CA VAL A 122 2.616 -3.130 7.790 1.00 15.00 A C -ATOM 639 HA VAL A 122 3.338 -3.935 7.825 1.00 15.00 A H -ATOM 640 CB VAL A 122 3.007 -2.102 8.900 1.00 15.00 A C -ATOM 641 HB VAL A 122 3.875 -2.493 9.414 1.00 15.00 A H -ATOM 642 CG1 VAL A 122 3.396 -0.760 8.291 1.00 15.00 A C -ATOM 643 HG11 VAL A 122 4.381 -0.833 7.856 1.00 15.00 A H -ATOM 644 HG12 VAL A 122 3.400 -0.003 9.063 1.00 15.00 A H -ATOM 645 HG13 VAL A 122 2.682 -0.490 7.527 1.00 15.00 A H -ATOM 646 CG2 VAL A 122 1.900 -1.912 9.931 1.00 15.00 A C -ATOM 647 HG21 VAL A 122 1.118 -1.298 9.507 1.00 15.00 A H -ATOM 648 HG22 VAL A 122 2.303 -1.427 10.807 1.00 15.00 A H -ATOM 649 HG23 VAL A 122 1.495 -2.873 10.207 1.00 15.00 A H -ATOM 650 C VAL A 122 1.230 -3.722 8.047 1.00 15.00 A C -ATOM 651 O VAL A 122 0.208 -3.049 7.908 1.00 15.00 A O -ATOM 652 N SER A 123 1.206 -5.013 8.350 1.00 15.00 A N -ATOM 653 HN SER A 123 2.049 -5.520 8.334 1.00 15.00 A H -ATOM 654 CA SER A 123 -0.028 -5.701 8.690 1.00 15.00 A C -ATOM 655 HA SER A 123 -0.851 -5.059 8.425 1.00 15.00 A H -ATOM 656 CB SER A 123 -0.132 -7.027 7.924 1.00 15.00 A C -ATOM 657 HB1 SER A 123 0.520 -7.756 8.375 1.00 15.00 A H -ATOM 658 HB2 SER A 123 0.162 -6.868 6.897 1.00 15.00 A H -ATOM 659 OG SER A 123 -1.459 -7.530 7.941 1.00 15.00 A O -ATOM 660 HG SER A 123 -2.076 -6.799 8.004 1.00 15.00 A H -ATOM 661 C SER A 123 -0.030 -5.913 10.206 1.00 15.00 A C -ATOM 662 O SER A 123 1.004 -5.737 10.845 1.00 15.00 A O -ATOM 663 N CYS A 124 -1.162 -6.271 10.806 1.00 15.00 A N -ATOM 664 HN CYS A 124 -1.967 -6.441 10.273 1.00 15.00 A H -ATOM 665 CA CYS A 124 -1.192 -6.448 12.263 1.00 15.00 A C -ATOM 666 HA CYS A 124 -0.180 -6.623 12.587 1.00 15.00 A H -ATOM 667 HB1 CYS A 124 -2.782 -5.356 13.221 1.00 15.00 A H -ATOM 668 HB2 CYS A 124 -1.639 -4.336 12.357 1.00 15.00 A H -ATOM 669 C CYS A 124 -2.044 -7.622 12.684 1.00 15.00 A C -ATOM 670 O CYS A 124 -3.216 -7.716 12.313 1.00 15.00 A O -ATOM 671 CB CYS A 124 -1.734 -5.203 12.990 1.00 15.00 A C -ATOM 672 SG CYS A 124 -0.895 -4.847 14.567 1.00 15.00 A S -ATOM 673 N ASP A 125 -1.446 -8.532 13.444 1.00 15.00 A N -ATOM 674 HN ASP A 125 -0.486 -8.457 13.628 1.00 15.00 A H -ATOM 675 CA ASP A 125 -2.198 -9.645 13.989 1.00 15.00 A C -ATOM 676 HA ASP A 125 -2.955 -9.899 13.257 1.00 15.00 A H -ATOM 677 CB ASP A 125 -1.299 -10.893 14.230 1.00 15.00 A C -ATOM 678 HB1 ASP A 125 -0.636 -10.999 13.385 1.00 15.00 A H -ATOM 679 HB2 ASP A 125 -1.926 -11.765 14.272 1.00 15.00 A H -ATOM 680 CG ASP A 125 -0.449 -10.875 15.491 1.00 15.00 A C -ATOM 681 OD1 ASP A 125 -0.973 -10.559 16.566 1.00 15.00 A O -ATOM 682 OD2 ASP A 125 0.737 -11.235 15.403 1.00 15.00 A O -ATOM 683 C ASP A 125 -2.921 -9.116 15.251 1.00 15.00 A C -ATOM 684 O ASP A 125 -2.651 -7.986 15.669 1.00 15.00 A O -ATOM 685 N PRO A 126 -3.843 -9.888 15.871 1.00 15.00 A N -ATOM 686 CA PRO A 126 -4.619 -9.421 17.041 1.00 15.00 A C -ATOM 687 HA PRO A 126 -5.251 -8.592 16.758 1.00 15.00 A H -ATOM 688 CB PRO A 126 -5.518 -10.617 17.387 1.00 15.00 A C -ATOM 689 HB1 PRO A 126 -6.517 -10.447 17.016 1.00 15.00 A H -ATOM 690 HB2 PRO A 126 -5.537 -10.766 18.459 1.00 15.00 A H -ATOM 691 CG PRO A 126 -4.918 -11.790 16.704 1.00 15.00 A C -ATOM 692 HG1 PRO A 126 -5.695 -12.479 16.405 1.00 15.00 A H -ATOM 693 HG2 PRO A 126 -4.216 -12.279 17.367 1.00 15.00 A H -ATOM 694 CD PRO A 126 -4.212 -11.263 15.495 1.00 15.00 A C -ATOM 695 HD1 PRO A 126 -4.871 -11.266 14.641 1.00 15.00 A H -ATOM 696 HD2 PRO A 126 -3.333 -11.850 15.296 1.00 15.00 A H -ATOM 697 C PRO A 126 -3.799 -8.987 18.275 1.00 15.00 A C -ATOM 698 O PRO A 126 -4.323 -8.271 19.126 1.00 15.00 A O -ATOM 699 N VAL A 127 -2.530 -9.394 18.384 1.00 15.00 A N -ATOM 700 HN VAL A 127 -2.129 -9.942 17.677 1.00 15.00 A H -ATOM 701 CA VAL A 127 -1.728 -9.014 19.558 1.00 15.00 A C -ATOM 702 HA VAL A 127 -2.414 -8.557 20.255 1.00 15.00 A H -ATOM 703 CB VAL A 127 -1.101 -10.240 20.275 1.00 15.00 A C -ATOM 704 HB VAL A 127 -0.709 -9.903 21.225 1.00 15.00 A H -ATOM 705 CG1 VAL A 127 -2.155 -11.299 20.568 1.00 15.00 A C -ATOM 706 HG11 VAL A 127 -3.011 -10.838 21.036 1.00 15.00 A H -ATOM 707 HG12 VAL A 127 -1.741 -12.046 21.231 1.00 15.00 A H -ATOM 708 HG13 VAL A 127 -2.459 -11.770 19.644 1.00 15.00 A H -ATOM 709 CG2 VAL A 127 0.051 -10.834 19.479 1.00 15.00 A C -ATOM 710 HG21 VAL A 127 0.191 -11.867 19.763 1.00 15.00 A H -ATOM 711 HG22 VAL A 127 0.955 -10.279 19.687 1.00 15.00 A H -ATOM 712 HG23 VAL A 127 -0.171 -10.777 18.423 1.00 15.00 A H -ATOM 713 C VAL A 127 -0.629 -7.978 19.253 1.00 15.00 A C -ATOM 714 O VAL A 127 -0.372 -7.104 20.083 1.00 15.00 A O -ATOM 715 N LYS A 128 0.022 -8.053 18.084 1.00 15.00 A N -ATOM 716 HN LYS A 128 -0.219 -8.750 17.437 1.00 15.00 A H -ATOM 717 CA LYS A 128 1.086 -7.093 17.758 1.00 15.00 A C -ATOM 718 HA LYS A 128 0.854 -6.175 18.281 1.00 15.00 A H -ATOM 719 CB LYS A 128 2.456 -7.592 18.249 1.00 15.00 A C -ATOM 720 HB1 LYS A 128 2.410 -7.724 19.320 1.00 15.00 A H -ATOM 721 HB2 LYS A 128 3.196 -6.838 18.024 1.00 15.00 A H -ATOM 722 CG LYS A 128 2.918 -8.903 17.626 1.00 15.00 A C -ATOM 723 HG1 LYS A 128 2.884 -8.811 16.549 1.00 15.00 A H -ATOM 724 HG2 LYS A 128 2.255 -9.694 17.943 1.00 15.00 A H -ATOM 725 CD LYS A 128 4.338 -9.256 18.046 1.00 15.00 A C -ATOM 726 HD1 LYS A 128 4.970 -8.391 17.907 1.00 15.00 A H -ATOM 727 HD2 LYS A 128 4.696 -10.067 17.429 1.00 15.00 A H -ATOM 728 CE LYS A 128 4.410 -9.686 19.504 1.00 15.00 A C -ATOM 729 HE1 LYS A 128 3.876 -10.617 19.619 1.00 15.00 A H -ATOM 730 HE2 LYS A 128 3.945 -8.925 20.113 1.00 15.00 A H -ATOM 731 NZ LYS A 128 5.818 -9.874 19.957 1.00 15.00 A N -ATOM 732 HZ1 LYS A 128 6.291 -10.588 19.366 1.00 15.00 A H -ATOM 733 HZ2 LYS A 128 5.841 -10.192 20.946 1.00 15.00 A H -ATOM 734 HZ3 LYS A 128 6.341 -8.977 19.879 1.00 15.00 A H -ATOM 735 C LYS A 128 1.153 -6.775 16.267 1.00 15.00 A C -ATOM 736 O LYS A 128 0.538 -7.455 15.449 1.00 15.00 A O -ATOM 737 N CYS A 129 1.916 -5.731 15.930 1.00 15.00 A N -ATOM 738 HN CYS A 129 2.401 -5.250 16.632 1.00 15.00 A H -ATOM 739 CA CYS A 129 2.063 -5.298 14.544 1.00 15.00 A C -ATOM 740 HA CYS A 129 1.273 -5.766 13.973 1.00 15.00 A H -ATOM 741 HB1 CYS A 129 2.532 -3.414 13.618 1.00 15.00 A H -ATOM 742 HB2 CYS A 129 2.259 -3.314 15.349 1.00 15.00 A H -ATOM 743 C CYS A 129 3.401 -5.741 13.959 1.00 15.00 A C -ATOM 744 O CYS A 129 4.387 -5.913 14.677 1.00 15.00 A O -ATOM 745 CB CYS A 129 1.919 -3.770 14.430 1.00 15.00 A C -ATOM 746 SG CYS A 129 0.211 -3.208 14.127 1.00 15.00 A S -ATOM 747 N TYR A 130 3.409 -5.943 12.643 1.00 15.00 A N -ATOM 748 HN TYR A 130 2.579 -5.800 12.140 1.00 15.00 A H -ATOM 749 CA TYR A 130 4.606 -6.370 11.921 1.00 15.00 A C -ATOM 750 HA TYR A 130 5.456 -6.232 12.571 1.00 15.00 A H -ATOM 751 CB TYR A 130 4.510 -7.848 11.502 1.00 15.00 A C -ATOM 752 HB1 TYR A 130 5.402 -8.108 10.951 1.00 15.00 A H -ATOM 753 HB2 TYR A 130 3.659 -7.962 10.848 1.00 15.00 A H -ATOM 754 CG TYR A 130 4.352 -8.855 12.628 1.00 15.00 A C -ATOM 755 CD1 TYR A 130 3.108 -9.103 13.185 1.00 15.00 A C -ATOM 756 HD1 TYR A 130 2.243 -8.548 12.822 1.00 15.00 A H -ATOM 757 CD2 TYR A 130 5.441 -9.579 13.106 1.00 15.00 A C -ATOM 758 HD2 TYR A 130 6.418 -9.394 12.684 1.00 15.00 A H -ATOM 759 CE1 TYR A 130 2.951 -10.044 14.182 1.00 15.00 A C -ATOM 760 HE1 TYR A 130 1.976 -10.221 14.599 1.00 15.00 A H -ATOM 761 CE2 TYR A 130 5.288 -10.517 14.110 1.00 15.00 A C -ATOM 762 HE2 TYR A 130 6.145 -11.056 14.470 1.00 15.00 A H -ATOM 763 CZ TYR A 130 4.038 -10.750 14.645 1.00 15.00 A C -ATOM 764 OH TYR A 130 3.875 -11.703 15.627 1.00 15.00 A O -ATOM 765 HH TYR A 130 4.522 -11.551 16.321 1.00 15.00 A H -ATOM 766 C TYR A 130 4.794 -5.532 10.657 1.00 15.00 A C -ATOM 767 O TYR A 130 3.819 -5.071 10.060 1.00 15.00 A O -ATOM 768 N GLN A 131 6.045 -5.340 10.257 1.00 15.00 A N -ATOM 769 HN GLN A 131 6.777 -5.709 10.793 1.00 15.00 A H -ATOM 770 CA GLN A 131 6.354 -4.590 9.046 1.00 15.00 A C -ATOM 771 HA GLN A 131 5.428 -4.174 8.678 1.00 15.00 A H -ATOM 772 CB GLN A 131 7.332 -3.442 9.335 1.00 15.00 A C -ATOM 773 HB1 GLN A 131 6.916 -2.821 10.116 1.00 15.00 A H -ATOM 774 HB2 GLN A 131 7.442 -2.846 8.440 1.00 15.00 A H -ATOM 775 CG GLN A 131 8.711 -3.897 9.776 1.00 15.00 A C -ATOM 776 HG1 GLN A 131 9.078 -4.628 9.072 1.00 15.00 A H -ATOM 777 HG2 GLN A 131 8.622 -4.356 10.752 1.00 15.00 A H -ATOM 778 CD GLN A 131 9.715 -2.767 9.879 1.00 15.00 A C -ATOM 779 OE1 GLN A 131 10.779 -2.806 9.259 1.00 15.00 A O -ATOM 780 NE2 GLN A 131 9.370 -1.741 10.642 1.00 15.00 A N -ATOM 781 HE21 GLN A 131 8.495 -1.766 11.072 1.00 15.00 A H -ATOM 782 HE22 GLN A 131 10.022 -1.033 10.786 1.00 15.00 A H -ATOM 783 C GLN A 131 6.917 -5.529 7.975 1.00 15.00 A C -ATOM 784 O GLN A 131 7.758 -6.388 8.251 1.00 15.00 A O -ATOM 785 N PHE A 132 6.424 -5.369 6.759 1.00 15.00 A N -ATOM 786 HN PHE A 132 5.751 -4.674 6.612 1.00 15.00 A H -ATOM 787 CA PHE A 132 6.842 -6.191 5.628 1.00 15.00 A C -ATOM 788 HA PHE A 132 7.539 -6.933 5.986 1.00 15.00 A H -ATOM 789 CB PHE A 132 5.636 -6.884 4.997 1.00 15.00 A C -ATOM 790 HB1 PHE A 132 5.983 -7.545 4.221 1.00 15.00 A H -ATOM 791 HB2 PHE A 132 4.993 -6.136 4.554 1.00 15.00 A H -ATOM 792 CG PHE A 132 4.801 -7.694 5.953 1.00 15.00 A C -ATOM 793 CD1 PHE A 132 3.941 -7.068 6.847 1.00 15.00 A C -ATOM 794 HD1 PHE A 132 3.895 -5.990 6.874 1.00 15.00 A H -ATOM 795 CD2 PHE A 132 4.854 -9.078 5.934 1.00 15.00 A C -ATOM 796 HD2 PHE A 132 5.510 -9.573 5.236 1.00 15.00 A H -ATOM 797 CE1 PHE A 132 3.154 -7.811 7.704 1.00 15.00 A C -ATOM 798 HE1 PHE A 132 2.490 -7.309 8.394 1.00 15.00 A H -ATOM 799 CE2 PHE A 132 4.074 -9.825 6.800 1.00 15.00 A C -ATOM 800 HE2 PHE A 132 4.135 -10.902 6.786 1.00 15.00 A H -ATOM 801 CZ PHE A 132 3.222 -9.189 7.683 1.00 15.00 A C -ATOM 802 HZ PHE A 132 2.603 -9.772 8.347 1.00 15.00 A H -ATOM 803 C PHE A 132 7.522 -5.337 4.570 1.00 15.00 A C -ATOM 804 O PHE A 132 7.493 -4.106 4.647 1.00 15.00 A O -ATOM 805 N ALA A 133 8.118 -6.004 3.579 1.00 15.00 A N -ATOM 806 HN ALA A 133 8.094 -6.986 3.586 1.00 15.00 A H -ATOM 807 CA ALA A 133 8.798 -5.322 2.483 1.00 15.00 A C -ATOM 808 HA ALA A 133 8.067 -4.725 1.962 1.00 15.00 A H -ATOM 809 CB ALA A 133 9.887 -4.390 3.000 1.00 15.00 A C -ATOM 810 HB1 ALA A 133 9.602 -4.003 3.969 1.00 15.00 A H -ATOM 811 HB2 ALA A 133 10.014 -3.569 2.310 1.00 15.00 A H -ATOM 812 HB3 ALA A 133 10.818 -4.932 3.088 1.00 15.00 A H -ATOM 813 C ALA A 133 9.409 -6.309 1.502 1.00 15.00 A C -ATOM 814 O ALA A 133 9.854 -7.390 1.882 1.00 15.00 A O -ATOM 815 N LEU A 134 9.422 -5.924 0.233 1.00 15.00 A N -ATOM 816 HN LEU A 134 9.021 -5.064 -0.008 1.00 15.00 A H -ATOM 817 CA LEU A 134 10.008 -6.751 -0.810 1.00 15.00 A C -ATOM 818 HA LEU A 134 9.828 -7.785 -0.559 1.00 15.00 A H -ATOM 819 CB LEU A 134 9.367 -6.440 -2.166 1.00 15.00 A C -ATOM 820 HB1 LEU A 134 10.129 -6.532 -2.924 1.00 15.00 A H -ATOM 821 HB2 LEU A 134 9.028 -5.413 -2.151 1.00 15.00 A H -ATOM 822 CG LEU A 134 8.187 -7.333 -2.571 1.00 15.00 A C -ATOM 823 HG LEU A 134 8.569 -8.207 -3.080 1.00 15.00 A H -ATOM 824 CD1 LEU A 134 7.405 -7.807 -1.354 1.00 15.00 A C -ATOM 825 HD11 LEU A 134 7.439 -7.048 -0.583 1.00 15.00 A H -ATOM 826 HD12 LEU A 134 7.845 -8.719 -0.977 1.00 15.00 A H -ATOM 827 HD13 LEU A 134 6.379 -7.989 -1.633 1.00 15.00 A H -ATOM 828 CD2 LEU A 134 7.274 -6.592 -3.536 1.00 15.00 A C -ATOM 829 HD21 LEU A 134 7.871 -6.023 -4.232 1.00 15.00 A H -ATOM 830 HD22 LEU A 134 6.630 -5.924 -2.983 1.00 15.00 A H -ATOM 831 HD23 LEU A 134 6.671 -7.305 -4.078 1.00 15.00 A H -ATOM 832 C LEU A 134 11.510 -6.511 -0.871 1.00 15.00 A C -ATOM 833 O LEU A 134 11.961 -5.417 -1.213 1.00 15.00 A O -ATOM 834 N GLY A 135 12.280 -7.527 -0.518 1.00 15.00 A N -ATOM 835 HN GLY A 135 11.869 -8.375 -0.252 1.00 15.00 A H -ATOM 836 CA GLY A 135 13.720 -7.397 -0.538 1.00 15.00 A C -ATOM 837 HA1 GLY A 135 14.151 -8.106 0.154 1.00 15.00 A H -ATOM 838 HA2 GLY A 135 13.984 -6.395 -0.225 1.00 15.00 A H -ATOM 839 C GLY A 135 14.286 -7.648 -1.917 1.00 15.00 A C -ATOM 840 O GLY A 135 13.669 -8.330 -2.732 1.00 15.00 A O -ATOM 841 N GLN A 136 15.462 -7.093 -2.181 1.00 15.00 A N -ATOM 842 HN GLN A 136 15.907 -6.558 -1.492 1.00 15.00 A H -ATOM 843 CA GLN A 136 16.112 -7.255 -3.475 1.00 15.00 A C -ATOM 844 HA GLN A 136 15.353 -7.498 -4.200 1.00 15.00 A H -ATOM 845 CB GLN A 136 16.778 -5.939 -3.881 1.00 15.00 A C -ATOM 846 HB1 GLN A 136 17.417 -6.113 -4.735 1.00 15.00 A H -ATOM 847 HB2 GLN A 136 17.380 -5.590 -3.056 1.00 15.00 A H -ATOM 848 CG GLN A 136 15.784 -4.848 -4.242 1.00 15.00 A C -ATOM 849 HG1 GLN A 136 16.319 -3.918 -4.372 1.00 15.00 A H -ATOM 850 HG2 GLN A 136 15.077 -4.744 -3.431 1.00 15.00 A H -ATOM 851 CD GLN A 136 15.016 -5.152 -5.515 1.00 15.00 A C -ATOM 852 OE1 GLN A 136 15.228 -6.179 -6.157 1.00 15.00 A O -ATOM 853 NE2 GLN A 136 14.115 -4.254 -5.890 1.00 15.00 A N -ATOM 854 HE21 GLN A 136 13.995 -3.456 -5.335 1.00 15.00 A H -ATOM 855 HE22 GLN A 136 13.599 -4.429 -6.705 1.00 15.00 A H -ATOM 856 C GLN A 136 17.141 -8.381 -3.437 1.00 15.00 A C -ATOM 857 O GLN A 136 17.986 -8.489 -4.329 1.00 15.00 A O -ATOM 858 N GLY A 137 17.059 -9.217 -2.401 1.00 15.00 A N -ATOM 859 HN GLY A 137 16.360 -9.079 -1.727 1.00 15.00 A H -ATOM 860 CA GLY A 137 17.987 -10.330 -2.260 1.00 15.00 A C -ATOM 861 HA1 GLY A 137 17.959 -10.920 -3.165 1.00 15.00 A H -ATOM 862 HA2 GLY A 137 17.671 -10.947 -1.431 1.00 15.00 A H -ATOM 863 C GLY A 137 19.412 -9.874 -2.014 1.00 15.00 A C -ATOM 864 O GLY A 137 20.358 -10.512 -2.477 1.00 15.00 A O -ATOM 865 N THR A 138 19.566 -8.775 -1.279 1.00 15.00 A N -ATOM 866 HN THR A 138 18.774 -8.323 -0.924 1.00 15.00 A H -ATOM 867 CA THR A 138 20.888 -8.224 -0.992 1.00 15.00 A C -ATOM 868 HA THR A 138 21.520 -9.023 -0.637 1.00 15.00 A H -ATOM 869 CB THR A 138 21.520 -7.635 -2.274 1.00 15.00 A C -ATOM 870 HB THR A 138 21.458 -8.373 -3.062 1.00 15.00 A H -ATOM 871 OG1 THR A 138 22.894 -7.306 -2.047 1.00 15.00 A O -ATOM 872 HG1 THR A 138 23.058 -6.406 -2.333 1.00 15.00 A H -ATOM 873 CG2 THR A 138 20.767 -6.387 -2.717 1.00 15.00 A C -ATOM 874 HG21 THR A 138 21.196 -5.520 -2.234 1.00 15.00 A H -ATOM 875 HG22 THR A 138 19.728 -6.473 -2.437 1.00 15.00 A H -ATOM 876 HG23 THR A 138 20.845 -6.279 -3.788 1.00 15.00 A H -ATOM 877 C THR A 138 20.821 -7.119 0.062 1.00 15.00 A C -ATOM 878 O THR A 138 19.750 -6.586 0.347 1.00 15.00 A O -ATOM 879 N THR A 139 21.976 -6.791 0.639 1.00 15.00 A N -ATOM 880 HN THR A 139 22.785 -7.288 0.400 1.00 15.00 A H -ATOM 881 CA THR A 139 22.067 -5.720 1.626 1.00 15.00 A C -ATOM 882 HA THR A 139 21.079 -5.552 2.029 1.00 15.00 A H -ATOM 883 CB THR A 139 23.015 -6.091 2.786 1.00 15.00 A C -ATOM 884 HB THR A 139 23.163 -5.216 3.402 1.00 15.00 A H -ATOM 885 OG1 THR A 139 24.280 -6.521 2.272 1.00 15.00 A O -ATOM 886 HG1 THR A 139 24.937 -5.835 2.419 1.00 15.00 A H -ATOM 887 CG2 THR A 139 22.411 -7.193 3.647 1.00 15.00 A C -ATOM 888 HG21 THR A 139 21.590 -6.791 4.223 1.00 15.00 A H -ATOM 889 HG22 THR A 139 23.165 -7.582 4.317 1.00 15.00 A H -ATOM 890 HG23 THR A 139 22.050 -7.989 3.013 1.00 15.00 A H -ATOM 891 C THR A 139 22.552 -4.438 0.950 1.00 15.00 A C -ATOM 892 O THR A 139 23.047 -4.483 -0.179 1.00 15.00 A O -ATOM 893 N LEU A 140 22.411 -3.297 1.624 1.00 15.00 A N -ATOM 894 HN LEU A 140 22.021 -3.310 2.522 1.00 15.00 A H -ATOM 895 CA LEU A 140 22.830 -2.029 1.037 1.00 15.00 A C -ATOM 896 HA LEU A 140 22.340 -1.951 0.077 1.00 15.00 A H -ATOM 897 CB LEU A 140 22.408 -0.838 1.886 1.00 15.00 A C -ATOM 898 HB1 LEU A 140 23.178 -0.641 2.613 1.00 15.00 A H -ATOM 899 HB2 LEU A 140 21.494 -1.089 2.404 1.00 15.00 A H -ATOM 900 CG LEU A 140 22.179 0.438 1.074 1.00 15.00 A C -ATOM 901 HG LEU A 140 22.049 0.170 0.036 1.00 15.00 A H -ATOM 902 CD1 LEU A 140 20.920 1.146 1.532 1.00 15.00 A C -ATOM 903 HD11 LEU A 140 20.902 1.181 2.611 1.00 15.00 A H -ATOM 904 HD12 LEU A 140 20.056 0.610 1.171 1.00 15.00 A H -ATOM 905 HD13 LEU A 140 20.911 2.152 1.140 1.00 15.00 A H -ATOM 906 CD2 LEU A 140 23.382 1.361 1.172 1.00 15.00 A C -ATOM 907 HD21 LEU A 140 23.216 2.233 0.557 1.00 15.00 A H -ATOM 908 HD22 LEU A 140 24.265 0.839 0.825 1.00 15.00 A H -ATOM 909 HD23 LEU A 140 23.524 1.664 2.197 1.00 15.00 A H -ATOM 910 C LEU A 140 24.334 -1.999 0.799 1.00 15.00 A C -ATOM 911 O LEU A 140 24.774 -1.745 -0.324 1.00 15.00 A O -ATOM 912 N ASP A 141 25.123 -2.240 1.851 1.00 15.00 A N -ATOM 913 HN ASP A 141 24.723 -2.397 2.732 1.00 15.00 A H -ATOM 914 CA ASP A 141 26.579 -2.264 1.702 1.00 15.00 A C -ATOM 915 HA ASP A 141 26.839 -1.498 0.985 1.00 15.00 A H -ATOM 916 CB ASP A 141 27.299 -1.966 3.027 1.00 15.00 A C -ATOM 917 HB1 ASP A 141 27.418 -2.884 3.587 1.00 15.00 A H -ATOM 918 HB2 ASP A 141 26.710 -1.267 3.604 1.00 15.00 A H -ATOM 919 CG ASP A 141 28.674 -1.355 2.798 1.00 15.00 A C -ATOM 920 OD1 ASP A 141 29.138 -1.359 1.636 1.00 15.00 A O -ATOM 921 OD2 ASP A 141 29.281 -0.871 3.773 1.00 15.00 A O -ATOM 922 C ASP A 141 27.003 -3.612 1.128 1.00 15.00 A C -ATOM 923 O ASP A 141 27.596 -4.454 1.806 1.00 15.00 A O -ATOM 924 N ASN A 142 26.665 -3.789 -0.141 1.00 15.00 A N -ATOM 925 HN ASN A 142 26.211 -3.056 -0.605 1.00 15.00 A H -ATOM 926 CA ASN A 142 26.935 -5.008 -0.884 1.00 15.00 A C -ATOM 927 HA ASN A 142 27.908 -5.378 -0.595 1.00 15.00 A H -ATOM 928 CB ASN A 142 25.851 -6.048 -0.531 1.00 15.00 A C -ATOM 929 HB1 ASN A 142 24.920 -5.748 -0.987 1.00 15.00 A H -ATOM 930 HB2 ASN A 142 25.723 -6.055 0.543 1.00 15.00 A H -ATOM 931 CG ASN A 142 26.160 -7.475 -0.964 1.00 15.00 A C -ATOM 932 OD1 ASN A 142 25.643 -8.431 -0.388 1.00 15.00 A O -ATOM 933 ND2 ASN A 142 27.009 -7.636 -1.968 1.00 15.00 A N -ATOM 934 HD21 ASN A 142 27.404 -6.838 -2.370 1.00 15.00 A H -ATOM 935 HD22 ASN A 142 27.189 -8.548 -2.279 1.00 15.00 A H -ATOM 936 C ASN A 142 26.931 -4.666 -2.378 1.00 15.00 A C -ATOM 937 O ASN A 142 26.066 -3.926 -2.838 1.00 15.00 A O -ATOM 938 N LYS A 143 27.908 -5.185 -3.127 1.00 15.00 A N -ATOM 939 HN LYS A 143 28.575 -5.765 -2.703 1.00 15.00 A H -ATOM 940 CA LYS A 143 28.017 -4.902 -4.565 1.00 15.00 A C -ATOM 941 HA LYS A 143 28.113 -3.833 -4.674 1.00 15.00 A H -ATOM 942 CB LYS A 143 29.275 -5.559 -5.150 1.00 15.00 A C -ATOM 943 HB1 LYS A 143 29.203 -5.545 -6.228 1.00 15.00 A H -ATOM 944 HB2 LYS A 143 29.320 -6.582 -4.812 1.00 15.00 A H -ATOM 945 CG LYS A 143 30.575 -4.871 -4.751 1.00 15.00 A C -ATOM 946 HG1 LYS A 143 31.116 -5.510 -4.067 1.00 15.00 A H -ATOM 947 HG2 LYS A 143 30.343 -3.934 -4.266 1.00 15.00 A H -ATOM 948 CD LYS A 143 31.451 -4.593 -5.963 1.00 15.00 A C -ATOM 949 HD1 LYS A 143 30.980 -3.835 -6.570 1.00 15.00 A H -ATOM 950 HD2 LYS A 143 31.558 -5.503 -6.536 1.00 15.00 A H -ATOM 951 CE LYS A 143 32.833 -4.107 -5.553 1.00 15.00 A C -ATOM 952 HE1 LYS A 143 32.732 -3.471 -4.686 1.00 15.00 A H -ATOM 953 HE2 LYS A 143 33.258 -3.539 -6.367 1.00 15.00 A H -ATOM 954 NZ LYS A 143 33.751 -5.234 -5.221 1.00 15.00 A N -ATOM 955 HZ1 LYS A 143 33.851 -5.868 -6.040 1.00 15.00 A H -ATOM 956 HZ2 LYS A 143 33.374 -5.780 -4.419 1.00 15.00 A H -ATOM 957 HZ3 LYS A 143 34.690 -4.867 -4.964 1.00 15.00 A H -ATOM 958 C LYS A 143 26.780 -5.353 -5.358 1.00 15.00 A C -ATOM 959 O LYS A 143 26.563 -4.897 -6.480 1.00 15.00 A O -ATOM 960 N HIS A 144 25.969 -6.237 -4.775 1.00 15.00 A N -ATOM 961 HN HIS A 144 26.187 -6.565 -3.876 1.00 15.00 A H -ATOM 962 CA HIS A 144 24.766 -6.738 -5.444 1.00 15.00 A C -ATOM 963 HA HIS A 144 25.014 -6.902 -6.481 1.00 15.00 A H -ATOM 964 CB HIS A 144 24.328 -8.069 -4.825 1.00 15.00 A C -ATOM 965 HB1 HIS A 144 23.377 -8.359 -5.248 1.00 15.00 A H -ATOM 966 HB2 HIS A 144 24.215 -7.940 -3.761 1.00 15.00 A H -ATOM 967 CG HIS A 144 25.293 -9.198 -5.042 1.00 15.00 A C -ATOM 968 ND1 HIS A 144 25.976 -9.758 -3.990 1.00 15.00 A N -ATOM 969 CD2 HIS A 144 25.635 -9.843 -6.186 1.00 15.00 A C -ATOM 970 HD2 HIS A 144 25.276 -9.631 -7.183 1.00 15.00 A H -ATOM 971 CE1 HIS A 144 26.710 -10.724 -4.507 1.00 15.00 A C -ATOM 972 HE1 HIS A 144 27.367 -11.365 -3.934 1.00 15.00 A H -ATOM 973 NE2 HIS A 144 26.537 -10.813 -5.834 1.00 15.00 A N -ATOM 974 HE2 HIS A 144 26.968 -11.457 -6.438 1.00 15.00 A H -ATOM 975 C HIS A 144 23.609 -5.724 -5.377 1.00 15.00 A C -ATOM 976 O HIS A 144 22.534 -5.966 -5.929 1.00 15.00 A O -ATOM 977 N SER A 145 23.835 -4.593 -4.702 1.00 15.00 A N -ATOM 978 HN SER A 145 24.705 -4.461 -4.271 1.00 15.00 A H -ATOM 979 CA SER A 145 22.811 -3.546 -4.573 1.00 15.00 A C -ATOM 980 HA SER A 145 21.850 -4.031 -4.492 1.00 15.00 A H -ATOM 981 CB SER A 145 23.050 -2.710 -3.310 1.00 15.00 A C -ATOM 982 HB1 SER A 145 23.117 -3.365 -2.451 1.00 15.00 A H -ATOM 983 HB2 SER A 145 22.227 -2.021 -3.173 1.00 15.00 A H -ATOM 984 OG SER A 145 24.252 -1.966 -3.407 1.00 15.00 A O -ATOM 985 HG SER A 145 24.976 -2.557 -3.629 1.00 15.00 A H -ATOM 986 C SER A 145 22.793 -2.624 -5.795 1.00 15.00 A C -ATOM 987 O SER A 145 21.914 -1.773 -5.926 1.00 15.00 A O -ATOM 988 N ASN A 146 23.768 -2.796 -6.684 1.00 15.00 A N -ATOM 989 HN ASN A 146 24.442 -3.491 -6.526 1.00 15.00 A H -ATOM 990 CA ASN A 146 23.856 -1.979 -7.891 1.00 15.00 A C -ATOM 991 HA ASN A 146 23.777 -0.942 -7.596 1.00 15.00 A H -ATOM 992 CB ASN A 146 25.212 -2.201 -8.577 1.00 15.00 A C -ATOM 993 HB1 ASN A 146 25.233 -3.190 -9.010 1.00 15.00 A H -ATOM 994 HB2 ASN A 146 25.995 -2.126 -7.834 1.00 15.00 A H -ATOM 995 CG ASN A 146 25.508 -1.187 -9.675 1.00 15.00 A C -ATOM 996 OD1 ASN A 146 24.626 -0.463 -10.129 1.00 15.00 A O -ATOM 997 ND2 ASN A 146 26.757 -1.142 -10.115 1.00 15.00 A N -ATOM 998 HD21 ASN A 146 27.412 -1.754 -9.718 1.00 15.00 A H -ATOM 999 HD22 ASN A 146 26.974 -0.497 -10.820 1.00 15.00 A H -ATOM 1000 C ASN A 146 22.709 -2.309 -8.845 1.00 15.00 A C -ATOM 1001 O ASN A 146 22.440 -3.479 -9.124 1.00 15.00 A O -ATOM 1002 N ASP A 147 22.029 -1.258 -9.318 1.00 15.00 A N -ATOM 1003 HN ASP A 147 22.295 -0.359 -9.032 1.00 15.00 A H -ATOM 1004 CA ASP A 147 20.908 -1.389 -10.250 1.00 15.00 A C -ATOM 1005 HA ASP A 147 20.590 -0.391 -10.512 1.00 15.00 A H -ATOM 1006 CB ASP A 147 21.359 -2.107 -11.531 1.00 15.00 A C -ATOM 1007 HB1 ASP A 147 21.201 -3.171 -11.414 1.00 15.00 A H -ATOM 1008 HB2 ASP A 147 22.410 -1.921 -11.692 1.00 15.00 A H -ATOM 1009 CG ASP A 147 20.595 -1.640 -12.755 1.00 15.00 A C -ATOM 1010 OD1 ASP A 147 19.811 -0.673 -12.637 1.00 15.00 A O -ATOM 1011 OD2 ASP A 147 20.776 -2.242 -13.834 1.00 15.00 A O -ATOM 1012 C ASP A 147 19.721 -2.125 -9.614 1.00 15.00 A C -ATOM 1013 O ASP A 147 19.171 -3.058 -10.204 1.00 15.00 A O -ATOM 1014 N THR A 148 19.324 -1.707 -8.408 1.00 15.00 A N -ATOM 1015 HN THR A 148 19.805 -0.972 -7.972 1.00 15.00 A H -ATOM 1016 CA THR A 148 18.186 -2.331 -7.722 1.00 15.00 A C -ATOM 1017 HA THR A 148 18.079 -3.331 -8.115 1.00 15.00 A H -ATOM 1018 CB THR A 148 18.386 -2.433 -6.199 1.00 15.00 A C -ATOM 1019 HB THR A 148 17.410 -2.470 -5.731 1.00 15.00 A H -ATOM 1020 OG1 THR A 148 19.086 -1.286 -5.710 1.00 15.00 A O -ATOM 1021 HG1 THR A 148 19.982 -1.283 -6.059 1.00 15.00 A H -ATOM 1022 CG2 THR A 148 19.142 -3.699 -5.828 1.00 15.00 A C -ATOM 1023 HG21 THR A 148 20.089 -3.717 -6.342 1.00 15.00 A H -ATOM 1024 HG22 THR A 148 18.559 -4.560 -6.114 1.00 15.00 A H -ATOM 1025 HG23 THR A 148 19.309 -3.716 -4.760 1.00 15.00 A H -ATOM 1026 C THR A 148 16.896 -1.567 -7.987 1.00 15.00 A C -ATOM 1027 O THR A 148 15.917 -1.701 -7.251 1.00 15.00 A O -ATOM 1028 N VAL A 149 16.903 -0.770 -9.050 1.00 15.00 A N -ATOM 1029 HN VAL A 149 17.716 -0.711 -9.592 1.00 15.00 A H -ATOM 1030 CA VAL A 149 15.735 0.015 -9.433 1.00 15.00 A C -ATOM 1031 HA VAL A 149 15.385 0.555 -8.568 1.00 15.00 A H -ATOM 1032 CB VAL A 149 16.068 1.030 -10.550 1.00 15.00 A C -ATOM 1033 HB VAL A 149 15.657 0.654 -11.477 1.00 15.00 A H -ATOM 1034 CG1 VAL A 149 15.423 2.376 -10.267 1.00 15.00 A C -ATOM 1035 HG11 VAL A 149 14.409 2.230 -9.931 1.00 15.00 A H -ATOM 1036 HG12 VAL A 149 15.419 2.966 -11.171 1.00 15.00 A H -ATOM 1037 HG13 VAL A 149 15.987 2.892 -9.505 1.00 15.00 A H -ATOM 1038 CG2 VAL A 149 17.573 1.182 -10.729 1.00 15.00 A C -ATOM 1039 HG21 VAL A 149 17.773 1.910 -11.501 1.00 15.00 A H -ATOM 1040 HG22 VAL A 149 17.997 0.230 -11.015 1.00 15.00 A H -ATOM 1041 HG23 VAL A 149 18.015 1.511 -9.800 1.00 15.00 A H -ATOM 1042 C VAL A 149 14.631 -0.904 -9.937 1.00 15.00 A C -ATOM 1043 O VAL A 149 13.447 -0.672 -9.692 1.00 15.00 A O -ATOM 1044 N HIS A 150 15.054 -1.950 -10.645 1.00 15.00 A N -ATOM 1045 HN HIS A 150 16.020 -2.056 -10.790 1.00 15.00 A H -ATOM 1046 CA HIS A 150 14.150 -2.940 -11.229 1.00 15.00 A C -ATOM 1047 HA HIS A 150 13.548 -2.435 -11.970 1.00 15.00 A H -ATOM 1048 CB HIS A 150 14.964 -4.028 -11.927 1.00 15.00 A C -ATOM 1049 HB1 HIS A 150 14.300 -4.658 -12.505 1.00 15.00 A H -ATOM 1050 HB2 HIS A 150 15.476 -4.622 -11.185 1.00 15.00 A H -ATOM 1051 CG HIS A 150 15.985 -3.457 -12.859 1.00 15.00 A C -ATOM 1052 ND1 HIS A 150 15.644 -2.692 -13.950 1.00 15.00 A N -ATOM 1053 HD1 HIS A 150 14.731 -2.478 -14.235 1.00 15.00 A H -ATOM 1054 CD2 HIS A 150 17.341 -3.489 -12.829 1.00 15.00 A C -ATOM 1055 HD2 HIS A 150 17.956 -4.017 -12.113 1.00 15.00 A H -ATOM 1056 CE1 HIS A 150 16.741 -2.273 -14.550 1.00 15.00 A C -ATOM 1057 HE1 HIS A 150 16.779 -1.641 -15.429 1.00 15.00 A H -ATOM 1058 NE2 HIS A 150 17.783 -2.742 -13.889 1.00 15.00 A N -ATOM 1059 HE2 HIS A 150 18.720 -2.568 -14.118 1.00 15.00 A H -ATOM 1060 C HIS A 150 13.221 -3.544 -10.178 1.00 15.00 A C -ATOM 1061 O HIS A 150 13.660 -3.985 -9.115 1.00 15.00 A O ATOM 1062 N ASP A 151 11.937 -3.581 -10.515 1.00 15.00 A N ATOM 1063 HN ASP A 151 11.671 -3.265 -11.404 1.00 15.00 A H ATOM 1064 CA ASP A 151 10.905 -4.084 -9.619 1.00 15.00 A C @@ -1136,407 +114,6 @@ ATOM 1094 HH21 ARG A 152 8.513 -4.526 -15.740 1.00 15.00 A H ATOM 1095 HH22 ARG A 152 7.366 -4.122 -14.404 1.00 15.00 A H ATOM 1096 C ARG A 152 12.467 -8.479 -11.010 1.00 15.00 A C ATOM 1097 O ARG A 152 13.064 -8.318 -12.076 1.00 15.00 A O -ATOM 1098 N ILE A 153 12.848 -9.321 -10.056 1.00 15.00 A N -ATOM 1099 HN ILE A 153 12.339 -9.329 -9.221 1.00 15.00 A H -ATOM 1100 CA ILE A 153 13.972 -10.237 -10.180 1.00 15.00 A C -ATOM 1101 HA ILE A 153 14.044 -10.523 -11.223 1.00 15.00 A H -ATOM 1102 CB ILE A 153 15.349 -9.672 -9.721 1.00 15.00 A C -ATOM 1103 HB ILE A 153 16.060 -10.485 -9.778 1.00 15.00 A H -ATOM 1104 CG1 ILE A 153 15.310 -9.162 -8.280 1.00 15.00 A C -ATOM 1105 HG11 ILE A 153 14.816 -9.895 -7.659 1.00 15.00 A H -ATOM 1106 HG12 ILE A 153 14.760 -8.237 -8.248 1.00 15.00 A H -ATOM 1107 CG2 ILE A 153 15.838 -8.581 -10.663 1.00 15.00 A C -ATOM 1108 HG21 ILE A 153 15.077 -7.824 -10.765 1.00 15.00 A H -ATOM 1109 HG22 ILE A 153 16.051 -9.011 -11.630 1.00 15.00 A H -ATOM 1110 HG23 ILE A 153 16.737 -8.139 -10.260 1.00 15.00 A H -ATOM 1111 CD1 ILE A 153 16.685 -8.905 -7.693 1.00 15.00 A C -ATOM 1112 HD11 ILE A 153 16.611 -8.844 -6.618 1.00 15.00 A H -ATOM 1113 HD12 ILE A 153 17.075 -7.975 -8.080 1.00 15.00 A H -ATOM 1114 HD13 ILE A 153 17.351 -9.713 -7.962 1.00 15.00 A H -ATOM 1115 C ILE A 153 13.617 -11.478 -9.364 1.00 15.00 A C -ATOM 1116 O ILE A 153 12.792 -11.396 -8.453 1.00 15.00 A O -ATOM 1117 N PRO A 154 14.211 -12.642 -9.659 1.00 15.00 A N -ATOM 1118 CA PRO A 154 13.885 -13.889 -8.956 1.00 15.00 A C -ATOM 1119 HA PRO A 154 12.816 -14.043 -8.914 1.00 15.00 A H -ATOM 1120 CB PRO A 154 14.521 -14.980 -9.829 1.00 15.00 A C -ATOM 1121 HB1 PRO A 154 13.764 -15.680 -10.141 1.00 15.00 A H -ATOM 1122 HB2 PRO A 154 15.292 -15.490 -9.266 1.00 15.00 A H -ATOM 1123 CG PRO A 154 15.107 -14.295 -11.024 1.00 15.00 A C -ATOM 1124 HG1 PRO A 154 14.444 -14.402 -11.869 1.00 15.00 A H -ATOM 1125 HG2 PRO A 154 16.074 -14.724 -11.251 1.00 15.00 A H -ATOM 1126 CD PRO A 154 15.253 -12.844 -10.672 1.00 15.00 A C -ATOM 1127 HD1 PRO A 154 15.075 -12.224 -11.540 1.00 15.00 A H -ATOM 1128 HD2 PRO A 154 16.234 -12.651 -10.263 1.00 15.00 A H -ATOM 1129 C PRO A 154 14.450 -13.963 -7.542 1.00 15.00 A C -ATOM 1130 O PRO A 154 14.208 -14.934 -6.825 1.00 15.00 A O -ATOM 1131 N HIS A 155 15.187 -12.940 -7.137 1.00 15.00 A N -ATOM 1132 HN HIS A 155 15.320 -12.173 -7.734 1.00 15.00 A H -ATOM 1133 CA HIS A 155 15.803 -12.936 -5.817 1.00 15.00 A C -ATOM 1134 HA HIS A 155 15.786 -13.953 -5.455 1.00 15.00 A H -ATOM 1135 CB HIS A 155 17.265 -12.492 -5.932 1.00 15.00 A C -ATOM 1136 HB1 HIS A 155 17.770 -12.686 -4.996 1.00 15.00 A H -ATOM 1137 HB2 HIS A 155 17.296 -11.430 -6.147 1.00 15.00 A H -ATOM 1138 CG HIS A 155 18.011 -13.211 -7.026 1.00 15.00 A C -ATOM 1139 ND1 HIS A 155 17.851 -14.551 -7.306 1.00 15.00 A N -ATOM 1140 HD1 HIS A 155 17.275 -15.177 -6.819 1.00 15.00 A H -ATOM 1141 CD2 HIS A 155 18.897 -12.741 -7.938 1.00 15.00 A C -ATOM 1142 HD2 HIS A 155 19.249 -11.721 -8.017 1.00 15.00 A H -ATOM 1143 CE1 HIS A 155 18.625 -14.844 -8.356 1.00 15.00 A C -ATOM 1144 HE1 HIS A 155 18.702 -15.826 -8.804 1.00 15.00 A H -ATOM 1145 NE2 HIS A 155 19.283 -13.779 -8.778 1.00 15.00 A N -ATOM 1146 C HIS A 155 15.022 -12.066 -4.828 1.00 15.00 A C -ATOM 1147 O HIS A 155 15.451 -11.873 -3.690 1.00 15.00 A O -ATOM 1148 N ARG A 156 13.871 -11.545 -5.265 1.00 15.00 A N -ATOM 1149 HN ARG A 156 13.592 -11.706 -6.191 1.00 15.00 A H -ATOM 1150 CA ARG A 156 13.028 -10.730 -4.390 1.00 15.00 A C -ATOM 1151 HA ARG A 156 13.678 -10.115 -3.786 1.00 15.00 A H -ATOM 1152 CB ARG A 156 12.082 -9.827 -5.192 1.00 15.00 A C -ATOM 1153 HB1 ARG A 156 11.472 -9.264 -4.501 1.00 15.00 A H -ATOM 1154 HB2 ARG A 156 11.437 -10.448 -5.798 1.00 15.00 A H -ATOM 1155 CG ARG A 156 12.790 -8.844 -6.106 1.00 15.00 A C -ATOM 1156 HG1 ARG A 156 12.900 -9.298 -7.081 1.00 15.00 A H -ATOM 1157 HG2 ARG A 156 13.764 -8.626 -5.699 1.00 15.00 A H -ATOM 1158 CD ARG A 156 12.014 -7.542 -6.260 1.00 15.00 A C -ATOM 1159 HD1 ARG A 156 10.983 -7.777 -6.483 1.00 15.00 A H -ATOM 1160 HD2 ARG A 156 12.438 -6.987 -7.082 1.00 15.00 A H -ATOM 1161 NE ARG A 156 12.060 -6.700 -5.064 1.00 15.00 A N -ATOM 1162 HE ARG A 156 12.625 -6.994 -4.319 1.00 15.00 A H -ATOM 1163 CZ ARG A 156 11.372 -5.565 -4.943 1.00 15.00 A C -ATOM 1164 NH1 ARG A 156 10.593 -5.152 -5.931 1.00 15.00 A N -ATOM 1165 HH11 ARG A 156 10.516 -5.716 -6.801 1.00 15.00 A H -ATOM 1166 HH12 ARG A 156 10.054 -4.267 -5.835 1.00 15.00 A H -ATOM 1167 NH2 ARG A 156 11.484 -4.823 -3.852 1.00 15.00 A N -ATOM 1168 HH21 ARG A 156 10.942 -3.938 -3.765 1.00 15.00 A H -ATOM 1169 HH22 ARG A 156 12.109 -5.126 -3.078 1.00 15.00 A H -ATOM 1170 C ARG A 156 12.212 -11.628 -3.468 1.00 15.00 A C -ATOM 1171 O ARG A 156 11.553 -12.560 -3.927 1.00 15.00 A O -ATOM 1172 N THR A 157 12.269 -11.349 -2.171 1.00 15.00 A N -ATOM 1173 HN THR A 157 12.813 -10.593 -1.870 1.00 15.00 A H -ATOM 1174 CA THR A 157 11.541 -12.139 -1.183 1.00 15.00 A C -ATOM 1175 HA THR A 157 10.823 -12.752 -1.708 1.00 15.00 A H -ATOM 1176 CB THR A 157 12.484 -13.069 -0.391 1.00 15.00 A C -ATOM 1177 HB THR A 157 11.919 -13.532 0.405 1.00 15.00 A H -ATOM 1178 OG1 THR A 157 13.554 -12.310 0.186 1.00 15.00 A O -ATOM 1179 HG1 THR A 157 14.153 -12.023 -0.505 1.00 15.00 A H -ATOM 1180 CG2 THR A 157 13.054 -14.170 -1.282 1.00 15.00 A C -ATOM 1181 HG21 THR A 157 12.376 -15.009 -1.299 1.00 15.00 A H -ATOM 1182 HG22 THR A 157 14.012 -14.488 -0.896 1.00 15.00 A H -ATOM 1183 HG23 THR A 157 13.181 -13.792 -2.286 1.00 15.00 A H -ATOM 1184 C THR A 157 10.800 -11.238 -0.203 1.00 15.00 A C -ATOM 1185 O THR A 157 11.186 -10.091 0.010 1.00 15.00 A O -ATOM 1186 N LEU A 158 9.732 -11.760 0.387 1.00 15.00 A N -ATOM 1187 HN LEU A 158 9.464 -12.679 0.170 1.00 15.00 A H -ATOM 1188 CA LEU A 158 8.948 -10.996 1.347 1.00 15.00 A C -ATOM 1189 HA LEU A 158 8.943 -9.969 1.018 1.00 15.00 A H -ATOM 1190 CB LEU A 158 7.507 -11.503 1.408 1.00 15.00 A C -ATOM 1191 HB1 LEU A 158 7.524 -12.539 1.711 1.00 15.00 A H -ATOM 1192 HB2 LEU A 158 7.084 -11.440 0.418 1.00 15.00 A H -ATOM 1193 CG LEU A 158 6.594 -10.735 2.374 1.00 15.00 A C -ATOM 1194 HG LEU A 158 6.994 -10.815 3.375 1.00 15.00 A H -ATOM 1195 CD1 LEU A 158 6.545 -9.260 2.006 1.00 15.00 A C -ATOM 1196 HD11 LEU A 158 6.544 -9.161 0.932 1.00 15.00 A H -ATOM 1197 HD12 LEU A 158 7.408 -8.756 2.415 1.00 15.00 A H -ATOM 1198 HD13 LEU A 158 5.645 -8.817 2.408 1.00 15.00 A H -ATOM 1199 CD2 LEU A 158 5.197 -11.330 2.371 1.00 15.00 A C -ATOM 1200 HD21 LEU A 158 4.770 -11.235 1.386 1.00 15.00 A H -ATOM 1201 HD22 LEU A 158 4.580 -10.802 3.085 1.00 15.00 A H -ATOM 1202 HD23 LEU A 158 5.248 -12.373 2.643 1.00 15.00 A H -ATOM 1203 C LEU A 158 9.567 -11.059 2.733 1.00 15.00 A C -ATOM 1204 O LEU A 158 9.671 -12.127 3.335 1.00 15.00 A O -ATOM 1205 N LEU A 159 9.980 -9.904 3.231 1.00 15.00 A N -ATOM 1206 HN LEU A 159 9.887 -9.091 2.690 1.00 15.00 A H -ATOM 1207 CA LEU A 159 10.572 -9.817 4.553 1.00 15.00 A C -ATOM 1208 HA LEU A 159 11.030 -10.770 4.768 1.00 15.00 A H -ATOM 1209 CB LEU A 159 11.652 -8.731 4.578 1.00 15.00 A C -ATOM 1210 HB1 LEU A 159 12.103 -8.723 5.557 1.00 15.00 A H -ATOM 1211 HB2 LEU A 159 11.180 -7.772 4.405 1.00 15.00 A H -ATOM 1212 CG LEU A 159 12.764 -8.918 3.538 1.00 15.00 A C -ATOM 1213 HG LEU A 159 12.316 -9.004 2.558 1.00 15.00 A H -ATOM 1214 CD1 LEU A 159 13.697 -7.721 3.520 1.00 15.00 A C -ATOM 1215 HD11 LEU A 159 14.293 -7.744 2.618 1.00 15.00 A H -ATOM 1216 HD12 LEU A 159 14.347 -7.756 4.379 1.00 15.00 A H -ATOM 1217 HD13 LEU A 159 13.117 -6.811 3.542 1.00 15.00 A H -ATOM 1218 CD2 LEU A 159 13.538 -10.203 3.810 1.00 15.00 A C -ATOM 1219 HD21 LEU A 159 14.477 -10.178 3.280 1.00 15.00 A H -ATOM 1220 HD22 LEU A 159 12.957 -11.049 3.474 1.00 15.00 A H -ATOM 1221 HD23 LEU A 159 13.724 -10.293 4.870 1.00 15.00 A H -ATOM 1222 C LEU A 159 9.491 -9.551 5.595 1.00 15.00 A C -ATOM 1223 O LEU A 159 8.456 -8.951 5.291 1.00 15.00 A O -ATOM 1224 N MET A 160 9.723 -10.025 6.816 1.00 15.00 A N -ATOM 1225 HN MET A 160 10.557 -10.509 6.989 1.00 15.00 A H -ATOM 1226 CA MET A 160 8.757 -9.859 7.893 1.00 15.00 A C -ATOM 1227 HA MET A 160 8.208 -8.953 7.714 1.00 15.00 A H -ATOM 1228 CB MET A 160 7.780 -11.037 7.882 1.00 15.00 A C -ATOM 1229 HB1 MET A 160 8.321 -11.937 8.127 1.00 15.00 A H -ATOM 1230 HB2 MET A 160 7.375 -11.130 6.887 1.00 15.00 A H -ATOM 1231 CG MET A 160 6.618 -10.896 8.855 1.00 15.00 A C -ATOM 1232 HG1 MET A 160 5.945 -10.141 8.478 1.00 15.00 A H -ATOM 1233 HG2 MET A 160 7.006 -10.585 9.815 1.00 15.00 A H -ATOM 1234 SD MET A 160 5.692 -12.432 9.076 1.00 15.00 A S -ATOM 1235 CE MET A 160 4.369 -11.867 10.142 1.00 15.00 A C -ATOM 1236 HE1 MET A 160 3.576 -11.450 9.541 1.00 15.00 A H -ATOM 1237 HE2 MET A 160 4.749 -11.107 10.810 1.00 15.00 A H -ATOM 1238 HE3 MET A 160 3.989 -12.695 10.717 1.00 15.00 A H -ATOM 1239 C MET A 160 9.439 -9.757 9.253 1.00 15.00 A C -ATOM 1240 O MET A 160 10.183 -10.651 9.662 1.00 15.00 A O -ATOM 1241 N ASN A 161 9.164 -8.661 9.944 1.00 15.00 A N -ATOM 1242 HN ASN A 161 8.563 -7.992 9.551 1.00 15.00 A H -ATOM 1243 CA ASN A 161 9.722 -8.407 11.265 1.00 15.00 A C -ATOM 1244 HA ASN A 161 9.984 -9.351 11.717 1.00 15.00 A H -ATOM 1245 CB ASN A 161 10.965 -7.513 11.165 1.00 15.00 A C -ATOM 1246 HB1 ASN A 161 11.079 -6.984 12.099 1.00 15.00 A H -ATOM 1247 HB2 ASN A 161 10.813 -6.796 10.373 1.00 15.00 A H -ATOM 1248 CG ASN A 161 12.256 -8.257 10.883 1.00 15.00 A C -ATOM 1249 OD1 ASN A 161 13.156 -7.718 10.248 1.00 15.00 A O -ATOM 1250 ND2 ASN A 161 12.358 -9.497 11.339 1.00 15.00 A N -ATOM 1251 HD21 ASN A 161 11.593 -9.879 11.812 1.00 15.00 A H -ATOM 1252 HD22 ASN A 161 13.210 -9.960 11.230 1.00 15.00 A H -ATOM 1253 C ASN A 161 8.688 -7.694 12.125 1.00 15.00 A C -ATOM 1254 O ASN A 161 7.652 -7.275 11.619 1.00 15.00 A O -ATOM 1255 N GLU A 162 8.955 -7.569 13.425 1.00 15.00 A N -ATOM 1256 HN GLU A 162 9.766 -7.977 13.794 1.00 15.00 A H -ATOM 1257 CA GLU A 162 8.049 -6.838 14.307 1.00 15.00 A C -ATOM 1258 HA GLU A 162 7.042 -7.182 14.113 1.00 15.00 A H -ATOM 1259 CB GLU A 162 8.391 -7.060 15.788 1.00 15.00 A C -ATOM 1260 HB1 GLU A 162 7.910 -6.286 16.371 1.00 15.00 A H -ATOM 1261 HB2 GLU A 162 9.461 -6.979 15.917 1.00 15.00 A H -ATOM 1262 CG GLU A 162 7.953 -8.405 16.349 1.00 15.00 A C -ATOM 1263 HG1 GLU A 162 8.667 -9.160 16.047 1.00 15.00 A H -ATOM 1264 HG2 GLU A 162 6.978 -8.651 15.958 1.00 15.00 A H -ATOM 1265 CD GLU A 162 7.878 -8.394 17.866 1.00 15.00 A C -ATOM 1266 OE1 GLU A 162 7.162 -7.533 18.419 1.00 15.00 A O -ATOM 1267 OE2 GLU A 162 8.535 -9.246 18.504 1.00 15.00 A O -ATOM 1268 C GLU A 162 8.145 -5.353 13.964 1.00 15.00 A C -ATOM 1269 O GLU A 162 9.217 -4.881 13.589 1.00 15.00 A O -ATOM 1270 N LEU A 163 7.038 -4.621 14.067 1.00 15.00 A N -ATOM 1271 HN LEU A 163 6.202 -5.050 14.357 1.00 15.00 A H -ATOM 1272 CA LEU A 163 7.041 -3.191 13.745 1.00 15.00 A C -ATOM 1273 HA LEU A 163 7.368 -3.095 12.722 1.00 15.00 A H -ATOM 1274 CB LEU A 163 5.633 -2.593 13.864 1.00 15.00 A C -ATOM 1275 HB1 LEU A 163 5.284 -2.724 14.879 1.00 15.00 A H -ATOM 1276 HB2 LEU A 163 4.975 -3.139 13.202 1.00 15.00 A H -ATOM 1277 CG LEU A 163 5.537 -1.105 13.513 1.00 15.00 A C -ATOM 1278 HG LEU A 163 6.230 -0.551 14.129 1.00 15.00 A H -ATOM 1279 CD1 LEU A 163 5.906 -0.865 12.057 1.00 15.00 A C -ATOM 1280 HD11 LEU A 163 5.346 -1.543 11.429 1.00 15.00 A H -ATOM 1281 HD12 LEU A 163 6.962 -1.037 11.920 1.00 15.00 A H -ATOM 1282 HD13 LEU A 163 5.667 0.154 11.789 1.00 15.00 A H -ATOM 1283 CD2 LEU A 163 4.142 -0.579 13.788 1.00 15.00 A C -ATOM 1284 HD21 LEU A 163 4.133 0.495 13.671 1.00 15.00 A H -ATOM 1285 HD22 LEU A 163 3.851 -0.836 14.796 1.00 15.00 A H -ATOM 1286 HD23 LEU A 163 3.448 -1.021 13.090 1.00 15.00 A H -ATOM 1287 C LEU A 163 8.023 -2.424 14.637 1.00 15.00 A C -ATOM 1288 O LEU A 163 7.789 -2.245 15.833 1.00 15.00 A O -ATOM 1289 N GLY A 164 9.124 -1.981 14.036 1.00 15.00 A N -ATOM 1290 HN GLY A 164 9.251 -2.155 13.078 1.00 15.00 A H -ATOM 1291 CA GLY A 164 10.138 -1.248 14.774 1.00 15.00 A C -ATOM 1292 HA1 GLY A 164 9.941 -1.340 15.830 1.00 15.00 A H -ATOM 1293 HA2 GLY A 164 10.091 -0.205 14.498 1.00 15.00 A H -ATOM 1294 C GLY A 164 11.531 -1.768 14.487 1.00 15.00 A C -ATOM 1295 O GLY A 164 12.455 -0.990 14.256 1.00 15.00 A O -ATOM 1296 N VAL A 165 11.680 -3.089 14.519 1.00 15.00 A N -ATOM 1297 HN VAL A 165 10.909 -3.649 14.749 1.00 15.00 A H -ATOM 1298 CA VAL A 165 12.965 -3.719 14.244 1.00 15.00 A C -ATOM 1299 HA VAL A 165 13.723 -3.105 14.710 1.00 15.00 A H -ATOM 1300 CB VAL A 165 13.052 -5.148 14.874 1.00 15.00 A C -ATOM 1301 HB VAL A 165 13.733 -5.091 15.711 1.00 15.00 A H -ATOM 1302 CG1 VAL A 165 11.703 -5.596 15.411 1.00 15.00 A C -ATOM 1303 HG11 VAL A 165 11.822 -6.522 15.955 1.00 15.00 A H -ATOM 1304 HG12 VAL A 165 11.020 -5.747 14.589 1.00 15.00 A H -ATOM 1305 HG13 VAL A 165 11.309 -4.839 16.073 1.00 15.00 A H -ATOM 1306 CG2 VAL A 165 13.599 -6.188 13.903 1.00 15.00 A C -ATOM 1307 HG21 VAL A 165 14.605 -5.923 13.616 1.00 15.00 A H -ATOM 1308 HG22 VAL A 165 12.972 -6.228 13.026 1.00 15.00 A H -ATOM 1309 HG23 VAL A 165 13.607 -7.155 14.385 1.00 15.00 A H -ATOM 1310 C VAL A 165 13.233 -3.731 12.735 1.00 15.00 A C -ATOM 1311 O VAL A 165 12.429 -4.240 11.947 1.00 15.00 A O -ATOM 1312 N PRO A 166 14.353 -3.115 12.319 1.00 15.00 A N -ATOM 1313 CA PRO A 166 14.729 -3.028 10.908 1.00 15.00 A C -ATOM 1314 HA PRO A 166 13.942 -2.576 10.325 1.00 15.00 A H -ATOM 1315 CB PRO A 166 15.953 -2.112 10.909 1.00 15.00 A C -ATOM 1316 HB1 PRO A 166 15.657 -1.101 10.686 1.00 15.00 A H -ATOM 1317 HB2 PRO A 166 16.674 -2.468 10.182 1.00 15.00 A H -ATOM 1318 CG PRO A 166 16.506 -2.190 12.286 1.00 15.00 A C -ATOM 1319 HG1 PRO A 166 16.968 -1.252 12.550 1.00 15.00 A H -ATOM 1320 HG2 PRO A 166 17.226 -2.997 12.349 1.00 15.00 A H -ATOM 1321 CD PRO A 166 15.339 -2.456 13.196 1.00 15.00 A C -ATOM 1322 HD1 PRO A 166 14.947 -1.529 13.587 1.00 15.00 A H -ATOM 1323 HD2 PRO A 166 15.634 -3.111 14.003 1.00 15.00 A H -ATOM 1324 C PRO A 166 15.078 -4.379 10.306 1.00 15.00 A C -ATOM 1325 O PRO A 166 15.213 -5.378 11.013 1.00 15.00 A O -ATOM 1326 N PHE A 167 15.211 -4.394 8.991 1.00 15.00 A N -ATOM 1327 HN PHE A 167 15.083 -3.564 8.487 1.00 15.00 A H -ATOM 1328 CA PHE A 167 15.528 -5.615 8.277 1.00 15.00 A C -ATOM 1329 HA PHE A 167 15.005 -6.423 8.772 1.00 15.00 A H -ATOM 1330 CB PHE A 167 15.018 -5.524 6.834 1.00 15.00 A C -ATOM 1331 HB1 PHE A 167 15.268 -6.429 6.307 1.00 15.00 A H -ATOM 1332 HB2 PHE A 167 15.492 -4.687 6.343 1.00 15.00 A H -ATOM 1333 CG PHE A 167 13.524 -5.332 6.758 1.00 15.00 A C -ATOM 1334 CD1 PHE A 167 12.677 -6.215 7.411 1.00 15.00 A C -ATOM 1335 HD1 PHE A 167 13.097 -7.054 7.946 1.00 15.00 A H -ATOM 1336 CD2 PHE A 167 12.973 -4.262 6.070 1.00 15.00 A C -ATOM 1337 HD2 PHE A 167 13.620 -3.572 5.552 1.00 15.00 A H -ATOM 1338 CE1 PHE A 167 11.307 -6.038 7.378 1.00 15.00 A C -ATOM 1339 HE1 PHE A 167 10.662 -6.730 7.891 1.00 15.00 A H -ATOM 1340 CE2 PHE A 167 11.600 -4.086 6.029 1.00 15.00 A C -ATOM 1341 HE2 PHE A 167 11.178 -3.253 5.479 1.00 15.00 A H -ATOM 1342 CZ PHE A 167 10.766 -4.974 6.686 1.00 15.00 A C -ATOM 1343 HZ PHE A 167 9.694 -4.833 6.654 1.00 15.00 A H -ATOM 1344 C PHE A 167 17.027 -5.922 8.312 1.00 15.00 A C -ATOM 1345 O PHE A 167 17.777 -5.528 7.422 1.00 15.00 A O -ATOM 1346 N HIS A 168 17.451 -6.617 9.368 1.00 15.00 A N -ATOM 1347 HN HIS A 168 16.799 -6.870 10.061 1.00 15.00 A H -ATOM 1348 CA HIS A 168 18.845 -7.016 9.525 1.00 15.00 A C -ATOM 1349 HA HIS A 168 19.452 -6.288 9.006 1.00 15.00 A H -ATOM 1350 CB HIS A 168 19.249 -7.050 11.010 1.00 15.00 A C -ATOM 1351 HB1 HIS A 168 19.311 -6.039 11.379 1.00 15.00 A H -ATOM 1352 HB2 HIS A 168 20.217 -7.511 11.094 1.00 15.00 A H -ATOM 1353 CG HIS A 168 18.312 -7.806 11.912 1.00 15.00 A C -ATOM 1354 ND1 HIS A 168 18.671 -9.007 12.476 1.00 15.00 A N -ATOM 1355 CD2 HIS A 168 17.059 -7.483 12.326 1.00 15.00 A C -ATOM 1356 HD2 HIS A 168 16.495 -6.593 12.065 1.00 15.00 A H -ATOM 1357 CE1 HIS A 168 17.644 -9.382 13.217 1.00 15.00 A C -ATOM 1358 HE1 HIS A 168 17.615 -10.289 13.801 1.00 15.00 A H -ATOM 1359 NE2 HIS A 168 16.646 -8.491 13.156 1.00 15.00 A N -ATOM 1360 HE2 HIS A 168 15.780 -8.552 13.612 1.00 15.00 A H -ATOM 1361 C HIS A 168 19.061 -8.377 8.869 1.00 15.00 A C -ATOM 1362 O HIS A 168 18.156 -8.906 8.226 1.00 15.00 A O -ATOM 1363 N LEU A 169 20.248 -8.951 9.027 1.00 15.00 A N -ATOM 1364 HN LEU A 169 20.936 -8.504 9.564 1.00 15.00 A H -ATOM 1365 CA LEU A 169 20.534 -10.248 8.416 1.00 15.00 A C -ATOM 1366 HA LEU A 169 20.201 -10.192 7.390 1.00 15.00 A H -ATOM 1367 CB LEU A 169 22.039 -10.527 8.416 1.00 15.00 A C -ATOM 1368 HB1 LEU A 169 22.188 -11.593 8.338 1.00 15.00 A H -ATOM 1369 HB2 LEU A 169 22.453 -10.184 9.356 1.00 15.00 A H -ATOM 1370 CG LEU A 169 22.808 -9.850 7.273 1.00 15.00 A C -ATOM 1371 HG LEU A 169 22.653 -8.783 7.327 1.00 15.00 A H -ATOM 1372 CD1 LEU A 169 24.302 -10.113 7.393 1.00 15.00 A C -ATOM 1373 HD11 LEU A 169 24.638 -9.838 8.381 1.00 15.00 A H -ATOM 1374 HD12 LEU A 169 24.830 -9.522 6.657 1.00 15.00 A H -ATOM 1375 HD13 LEU A 169 24.501 -11.159 7.222 1.00 15.00 A H -ATOM 1376 CD2 LEU A 169 22.282 -10.333 5.926 1.00 15.00 A C -ATOM 1377 HD21 LEU A 169 21.426 -9.743 5.641 1.00 15.00 A H -ATOM 1378 HD22 LEU A 169 21.991 -11.371 6.006 1.00 15.00 A H -ATOM 1379 HD23 LEU A 169 23.056 -10.235 5.178 1.00 15.00 A H -ATOM 1380 C LEU A 169 19.760 -11.376 9.098 1.00 15.00 A C -ATOM 1381 O LEU A 169 19.693 -12.490 8.585 1.00 15.00 A O -ATOM 1382 N GLY A 170 19.175 -11.077 10.254 1.00 15.00 A N -ATOM 1383 HN GLY A 170 19.285 -10.176 10.630 1.00 15.00 A H -ATOM 1384 CA GLY A 170 18.399 -12.070 10.974 1.00 15.00 A C -ATOM 1385 HA1 GLY A 170 18.505 -11.892 12.034 1.00 15.00 A H -ATOM 1386 HA2 GLY A 170 18.792 -13.049 10.747 1.00 15.00 A H -ATOM 1387 C GLY A 170 16.916 -12.039 10.615 1.00 15.00 A C -ATOM 1388 O GLY A 170 16.112 -12.729 11.244 1.00 15.00 A O -ATOM 1389 N THR A 171 16.551 -11.235 9.610 1.00 15.00 A N -ATOM 1390 HN THR A 171 17.233 -10.696 9.155 1.00 15.00 A H -ATOM 1391 CA THR A 171 15.156 -11.135 9.176 1.00 15.00 A C -ATOM 1392 HA THR A 171 14.546 -11.032 10.058 1.00 15.00 A H -ATOM 1393 CB THR A 171 14.935 -9.888 8.286 1.00 15.00 A C -ATOM 1394 HB THR A 171 15.550 -9.983 7.403 1.00 15.00 A H -ATOM 1395 OG1 THR A 171 15.325 -8.713 9.001 1.00 15.00 A O -ATOM 1396 HG1 THR A 171 14.817 -8.647 9.813 1.00 15.00 A H -ATOM 1397 CG2 THR A 171 13.477 -9.760 7.854 1.00 15.00 A C -ATOM 1398 HG21 THR A 171 13.142 -10.698 7.438 1.00 15.00 A H -ATOM 1399 HG22 THR A 171 13.388 -8.986 7.108 1.00 15.00 A H -ATOM 1400 HG23 THR A 171 12.869 -9.509 8.711 1.00 15.00 A H -ATOM 1401 C THR A 171 14.721 -12.401 8.432 1.00 15.00 A C -ATOM 1402 O THR A 171 15.538 -13.065 7.788 1.00 15.00 A O -ATOM 1403 N ARG A 172 13.430 -12.733 8.535 1.00 15.00 A N -ATOM 1404 HN ARG A 172 12.826 -12.142 9.032 1.00 15.00 A H -ATOM 1405 CA ARG A 172 12.893 -13.931 7.893 1.00 15.00 A C -ATOM 1406 HA ARG A 172 13.710 -14.629 7.780 1.00 15.00 A H -ATOM 1407 CB ARG A 172 11.811 -14.596 8.767 1.00 15.00 A C -ATOM 1408 HB1 ARG A 172 10.995 -13.902 8.910 1.00 15.00 A H -ATOM 1409 HB2 ARG A 172 12.233 -14.835 9.738 1.00 15.00 A H -ATOM 1410 CG ARG A 172 11.251 -15.877 8.157 1.00 15.00 A C -ATOM 1411 HG1 ARG A 172 12.071 -16.549 7.951 1.00 15.00 A H -ATOM 1412 HG2 ARG A 172 10.748 -15.628 7.236 1.00 15.00 A H -ATOM 1413 CD ARG A 172 10.264 -16.572 9.081 1.00 15.00 A C -ATOM 1414 HD1 ARG A 172 9.426 -15.913 9.254 1.00 15.00 A H -ATOM 1415 HD2 ARG A 172 10.764 -16.777 10.017 1.00 15.00 A H -ATOM 1416 NE ARG A 172 9.780 -17.841 8.523 1.00 15.00 A N -ATOM 1417 HE ARG A 172 10.406 -18.595 8.524 1.00 15.00 A H -ATOM 1418 CZ ARG A 172 8.554 -18.034 8.023 1.00 15.00 A C -ATOM 1419 NH1 ARG A 172 7.682 -17.037 7.978 1.00 15.00 A N -ATOM 1420 HH11 ARG A 172 7.937 -16.104 8.330 1.00 15.00 A H -ATOM 1421 HH12 ARG A 172 6.741 -17.188 7.577 1.00 15.00 A H -ATOM 1422 NH2 ARG A 172 8.202 -19.231 7.567 1.00 15.00 A N -ATOM 1423 HH21 ARG A 172 8.881 -20.023 7.578 1.00 15.00 A H -ATOM 1424 HH22 ARG A 172 7.240 -19.381 7.194 1.00 15.00 A H -ATOM 1425 C ARG A 172 12.313 -13.638 6.515 1.00 15.00 A C -ATOM 1426 O ARG A 172 11.565 -12.675 6.329 1.00 15.00 A O -ATOM 1427 N GLN A 173 12.683 -14.485 5.552 1.00 15.00 A N -ATOM 1428 HN GLN A 173 13.321 -15.193 5.766 1.00 15.00 A H -ATOM 1429 CA GLN A 173 12.171 -14.384 4.189 1.00 15.00 A C -ATOM 1430 HA GLN A 173 11.795 -13.381 4.047 1.00 15.00 A H -ATOM 1431 CB GLN A 173 13.273 -14.670 3.157 1.00 15.00 A C -ATOM 1432 HB1 GLN A 173 12.876 -14.489 2.169 1.00 15.00 A H -ATOM 1433 HB2 GLN A 173 13.567 -15.706 3.236 1.00 15.00 A H -ATOM 1434 CG GLN A 173 14.515 -13.807 3.329 1.00 15.00 A C -ATOM 1435 HG1 GLN A 173 14.871 -13.908 4.345 1.00 15.00 A H -ATOM 1436 HG2 GLN A 173 14.257 -12.774 3.141 1.00 15.00 A H -ATOM 1437 CD GLN A 173 15.635 -14.206 2.388 1.00 15.00 A C -ATOM 1438 OE1 GLN A 173 15.565 -13.979 1.183 1.00 15.00 A O -ATOM 1439 NE2 GLN A 173 16.690 -14.786 2.942 1.00 15.00 A N -ATOM 1440 HE21 GLN A 173 16.688 -14.917 3.913 1.00 15.00 A H -ATOM 1441 HE22 GLN A 173 17.426 -15.061 2.359 1.00 15.00 A H -ATOM 1442 C GLN A 173 11.008 -15.369 4.041 1.00 15.00 A C -ATOM 1443 O GLN A 173 11.200 -16.543 3.707 1.00 15.00 A O -ATOM 1444 N VAL A 174 9.813 -14.863 4.332 1.00 15.00 A N -ATOM 1445 HN VAL A 174 9.762 -13.915 4.580 1.00 15.00 A H -ATOM 1446 CA VAL A 174 8.567 -15.632 4.307 1.00 15.00 A C -ATOM 1447 HA VAL A 174 8.629 -16.380 5.084 1.00 15.00 A H -ATOM 1448 CB VAL A 174 7.380 -14.699 4.652 1.00 15.00 A C -ATOM 1449 HB VAL A 174 7.325 -13.927 3.900 1.00 15.00 A H -ATOM 1450 CG1 VAL A 174 6.057 -15.451 4.652 1.00 15.00 A C -ATOM 1451 HG11 VAL A 174 5.936 -15.964 3.709 1.00 15.00 A H -ATOM 1452 HG12 VAL A 174 5.244 -14.752 4.787 1.00 15.00 A H -ATOM 1453 HG13 VAL A 174 6.050 -16.172 5.456 1.00 15.00 A H -ATOM 1454 CG2 VAL A 174 7.623 -14.027 6.001 1.00 15.00 A C -ATOM 1455 HG21 VAL A 174 7.806 -14.785 6.751 1.00 15.00 A H -ATOM 1456 HG22 VAL A 174 6.757 -13.446 6.280 1.00 15.00 A H -ATOM 1457 HG23 VAL A 174 8.483 -13.381 5.930 1.00 15.00 A H -ATOM 1458 C VAL A 174 8.307 -16.347 2.973 1.00 15.00 A C -ATOM 1459 O VAL A 174 7.793 -17.468 2.968 1.00 15.00 A O -ATOM 1460 N CYS A 175 8.678 -15.727 1.855 1.00 15.00 A N -ATOM 1461 HN CYS A 175 9.131 -14.859 1.908 1.00 15.00 A H -ATOM 1462 CA CYS A 175 8.437 -16.341 0.547 1.00 15.00 A C -ATOM 1463 HA CYS A 175 8.819 -17.349 0.571 1.00 15.00 A H -ATOM 1464 HB1 CYS A 175 6.447 -16.946 1.054 1.00 15.00 A H -ATOM 1465 HB2 CYS A 175 6.768 -16.880 -0.675 1.00 15.00 A H -ATOM 1466 C CYS A 175 9.102 -15.579 -0.590 1.00 15.00 A C -ATOM 1467 O CYS A 175 9.612 -14.479 -0.403 1.00 15.00 A O -ATOM 1468 CB CYS A 175 6.936 -16.388 0.270 1.00 15.00 A C -ATOM 1469 SG CYS A 175 6.156 -14.746 0.183 1.00 15.00 A S -ATOM 1470 N ILE A 176 9.071 -16.180 -1.776 1.00 15.00 A N -ATOM 1471 HN ILE A 176 8.657 -17.068 -1.848 1.00 15.00 A H -ATOM 1472 CA ILE A 176 9.620 -15.557 -2.973 1.00 15.00 A C -ATOM 1473 HA ILE A 176 10.464 -14.945 -2.695 1.00 15.00 A H -ATOM 1474 CB ILE A 176 10.067 -16.601 -4.018 1.00 15.00 A C -ATOM 1475 HB ILE A 176 9.179 -17.001 -4.486 1.00 15.00 A H -ATOM 1476 CG1 ILE A 176 10.842 -17.754 -3.369 1.00 15.00 A C -ATOM 1477 HG11 ILE A 176 10.200 -18.260 -2.664 1.00 15.00 A H -ATOM 1478 HG12 ILE A 176 11.703 -17.361 -2.849 1.00 15.00 A H -ATOM 1479 CG2 ILE A 176 10.898 -15.936 -5.104 1.00 15.00 A C -ATOM 1480 HG21 ILE A 176 10.916 -16.567 -5.982 1.00 15.00 A H -ATOM 1481 HG22 ILE A 176 11.906 -15.784 -4.751 1.00 15.00 A H -ATOM 1482 HG23 ILE A 176 10.458 -14.982 -5.357 1.00 15.00 A H -ATOM 1483 CD1 ILE A 176 11.329 -18.781 -4.373 1.00 15.00 A C -ATOM 1484 HD11 ILE A 176 11.755 -19.622 -3.848 1.00 15.00 A H -ATOM 1485 HD12 ILE A 176 12.078 -18.334 -5.007 1.00 15.00 A H -ATOM 1486 HD13 ILE A 176 10.498 -19.116 -4.978 1.00 15.00 A H -ATOM 1487 C ILE A 176 8.535 -14.692 -3.607 1.00 15.00 A C -ATOM 1488 O ILE A 176 7.454 -15.201 -3.904 1.00 15.00 A O -ATOM 1489 N ALA A 177 8.804 -13.395 -3.820 1.00 15.00 A N -ATOM 1490 HN ALA A 177 9.681 -13.032 -3.573 1.00 15.00 A H -ATOM 1491 CA ALA A 177 7.785 -12.512 -4.403 1.00 15.00 A C -ATOM 1492 HA ALA A 177 7.364 -13.003 -5.264 1.00 15.00 A H -ATOM 1493 CB ALA A 177 6.663 -12.320 -3.389 1.00 15.00 A C -ATOM 1494 HB1 ALA A 177 6.683 -11.306 -3.018 1.00 15.00 A H -ATOM 1495 HB2 ALA A 177 6.805 -13.003 -2.566 1.00 15.00 A H -ATOM 1496 HB3 ALA A 177 5.712 -12.517 -3.859 1.00 15.00 A H -ATOM 1497 C ALA A 177 8.297 -11.128 -4.806 1.00 15.00 A C -ATOM 1498 O ALA A 177 9.134 -10.539 -4.120 1.00 15.00 A O ATOM 1499 N TRP A 178 7.781 -10.621 -5.934 1.00 15.00 A N ATOM 1500 HN TRP A 178 7.193 -11.183 -6.477 1.00 15.00 A H ATOM 1501 CA TRP A 178 8.080 -9.259 -6.381 1.00 15.00 A C @@ -1572,613 +149,6 @@ ATOM 1530 OG SER A 179 2.499 -7.661 -6.596 1.00 15.00 A O ATOM 1531 HG SER A 179 2.757 -6.739 -6.685 1.00 15.00 A H ATOM 1532 C SER A 179 3.808 -9.330 -4.367 1.00 15.00 A C ATOM 1533 O SER A 179 3.724 -10.546 -4.534 1.00 15.00 A O -ATOM 1534 N SER A 180 3.346 -8.726 -3.273 1.00 15.00 A N -ATOM 1535 HN SER A 180 3.396 -7.748 -3.201 1.00 15.00 A H -ATOM 1536 CA SER A 180 2.754 -9.513 -2.191 1.00 15.00 A C -ATOM 1537 HA SER A 180 2.405 -10.442 -2.615 1.00 15.00 A H -ATOM 1538 CB SER A 180 3.831 -9.830 -1.158 1.00 15.00 A C -ATOM 1539 HB1 SER A 180 4.673 -10.295 -1.649 1.00 15.00 A H -ATOM 1540 HB2 SER A 180 3.429 -10.502 -0.417 1.00 15.00 A H -ATOM 1541 OG SER A 180 4.276 -8.648 -0.510 1.00 15.00 A O -ATOM 1542 HG SER A 180 3.975 -7.877 -1.001 1.00 15.00 A H -ATOM 1543 C SER A 180 1.580 -8.819 -1.493 1.00 15.00 A C -ATOM 1544 O SER A 180 1.242 -7.672 -1.781 1.00 15.00 A O -ATOM 1545 N SER A 181 0.983 -9.558 -0.550 1.00 15.00 A N -ATOM 1546 HN SER A 181 1.328 -10.461 -0.384 1.00 15.00 A H -ATOM 1547 CA SER A 181 -0.151 -9.099 0.246 1.00 15.00 A C -ATOM 1548 HA SER A 181 0.072 -8.111 0.617 1.00 15.00 A H -ATOM 1549 CB SER A 181 -1.418 -9.046 -0.620 1.00 15.00 A C -ATOM 1550 HB1 SER A 181 -1.591 -10.015 -1.063 1.00 15.00 A H -ATOM 1551 HB2 SER A 181 -1.282 -8.314 -1.402 1.00 15.00 A H -ATOM 1552 OG SER A 181 -2.552 -8.683 0.146 1.00 15.00 A O -ATOM 1553 HG SER A 181 -3.202 -8.264 -0.423 1.00 15.00 A H -ATOM 1554 C SER A 181 -0.349 -10.044 1.435 1.00 15.00 A C -ATOM 1555 O SER A 181 -0.626 -11.230 1.247 1.00 15.00 A O -ATOM 1556 N SER A 182 -0.201 -9.527 2.659 1.00 15.00 A N -ATOM 1557 HN SER A 182 -0.016 -8.571 2.759 1.00 15.00 A H -ATOM 1558 CA SER A 182 -0.336 -10.367 3.854 1.00 15.00 A C -ATOM 1559 HA SER A 182 -0.654 -11.345 3.525 1.00 15.00 A H -ATOM 1560 CB SER A 182 1.013 -10.514 4.563 1.00 15.00 A C -ATOM 1561 HB1 SER A 182 0.950 -11.313 5.290 1.00 15.00 A H -ATOM 1562 HB2 SER A 182 1.265 -9.592 5.064 1.00 15.00 A H -ATOM 1563 OG SER A 182 2.037 -10.825 3.638 1.00 15.00 A O -ATOM 1564 HG SER A 182 1.662 -10.861 2.754 1.00 15.00 A H -ATOM 1565 C SER A 182 -1.386 -9.837 4.820 1.00 15.00 A C -ATOM 1566 O SER A 182 -1.572 -8.628 4.970 1.00 15.00 A O -ATOM 1567 N CYS A 183 -2.072 -10.774 5.468 1.00 15.00 A N -ATOM 1568 HN CYS A 183 -1.863 -11.715 5.297 1.00 15.00 A H -ATOM 1569 CA CYS A 183 -3.126 -10.455 6.420 1.00 15.00 A C -ATOM 1570 HA CYS A 183 -2.825 -9.582 6.978 1.00 15.00 A H -ATOM 1571 HB1 CYS A 183 -4.384 -9.135 5.305 1.00 15.00 A H -ATOM 1572 HB2 CYS A 183 -5.254 -10.256 6.345 1.00 15.00 A H -ATOM 1573 C CYS A 183 -3.371 -11.607 7.388 1.00 15.00 A C -ATOM 1574 O CYS A 183 -3.133 -12.766 7.064 1.00 15.00 A O -ATOM 1575 CB CYS A 183 -4.418 -10.150 5.670 1.00 15.00 A C -ATOM 1576 SG CYS A 183 -4.726 -11.243 4.245 1.00 15.00 A S -ATOM 1577 N HIS A 184 -3.859 -11.273 8.569 1.00 15.00 A N -ATOM 1578 HN HIS A 184 -4.024 -10.328 8.763 1.00 15.00 A H -ATOM 1579 CA HIS A 184 -4.150 -12.268 9.593 1.00 15.00 A C -ATOM 1580 HA HIS A 184 -3.748 -13.213 9.267 1.00 15.00 A H -ATOM 1581 CB HIS A 184 -3.464 -11.848 10.898 1.00 15.00 A C -ATOM 1582 HB1 HIS A 184 -3.987 -10.992 11.303 1.00 15.00 A H -ATOM 1583 HB2 HIS A 184 -2.446 -11.561 10.680 1.00 15.00 A H -ATOM 1584 CG HIS A 184 -3.413 -12.904 11.956 1.00 15.00 A C -ATOM 1585 ND1 HIS A 184 -2.330 -13.736 12.144 1.00 15.00 A N -ATOM 1586 HD1 HIS A 184 -1.512 -13.746 11.602 1.00 15.00 A H -ATOM 1587 CD2 HIS A 184 -4.299 -13.221 12.922 1.00 15.00 A C -ATOM 1588 HD2 HIS A 184 -5.278 -12.784 13.057 1.00 15.00 A H -ATOM 1589 CE1 HIS A 184 -2.557 -14.517 13.187 1.00 15.00 A C -ATOM 1590 HE1 HIS A 184 -1.884 -15.272 13.574 1.00 15.00 A H -ATOM 1591 NE2 HIS A 184 -3.747 -14.225 13.672 1.00 15.00 A N -ATOM 1592 HE2 HIS A 184 -4.159 -14.648 14.455 1.00 15.00 A H -ATOM 1593 C HIS A 184 -5.668 -12.401 9.771 1.00 15.00 A C -ATOM 1594 O HIS A 184 -6.355 -11.416 10.036 1.00 15.00 A O -ATOM 1595 N ASP A 185 -6.184 -13.623 9.611 1.00 15.00 A N -ATOM 1596 HN ASP A 185 -5.583 -14.371 9.405 1.00 15.00 A H -ATOM 1597 CA ASP A 185 -7.626 -13.871 9.727 1.00 15.00 A C -ATOM 1598 HA ASP A 185 -8.129 -12.971 9.411 1.00 15.00 A H -ATOM 1599 CB ASP A 185 -8.054 -15.016 8.795 1.00 15.00 A C -ATOM 1600 HB1 ASP A 185 -7.689 -14.817 7.798 1.00 15.00 A H -ATOM 1601 HB2 ASP A 185 -9.134 -15.058 8.769 1.00 15.00 A H -ATOM 1602 CG ASP A 185 -7.544 -16.382 9.226 1.00 15.00 A C -ATOM 1603 OD1 ASP A 185 -6.505 -16.449 9.918 1.00 15.00 A O -ATOM 1604 OD2 ASP A 185 -8.187 -17.388 8.866 1.00 15.00 A O -ATOM 1605 C ASP A 185 -8.045 -14.179 11.163 1.00 15.00 A C -ATOM 1606 O ASP A 185 -9.180 -14.567 11.411 1.00 15.00 A O -ATOM 1607 N GLY A 186 -7.125 -14.003 12.102 1.00 15.00 A N -ATOM 1608 HN GLY A 186 -6.229 -13.692 11.846 1.00 15.00 A H -ATOM 1609 CA GLY A 186 -7.432 -14.255 13.500 1.00 15.00 A C -ATOM 1610 HA1 GLY A 186 -8.501 -14.329 13.616 1.00 15.00 A H -ATOM 1611 HA2 GLY A 186 -7.077 -13.415 14.086 1.00 15.00 A H -ATOM 1612 C GLY A 186 -6.791 -15.521 14.032 1.00 15.00 A C -ATOM 1613 O GLY A 186 -6.458 -15.591 15.212 1.00 15.00 A O -ATOM 1614 N LYS A 187 -6.604 -16.515 13.170 1.00 15.00 A N -ATOM 1615 HN LYS A 187 -6.875 -16.403 12.232 1.00 15.00 A H -ATOM 1616 CA LYS A 187 -5.997 -17.772 13.598 1.00 15.00 A C -ATOM 1617 HA LYS A 187 -5.923 -17.746 14.673 1.00 15.00 A H -ATOM 1618 CB LYS A 187 -6.866 -18.967 13.192 1.00 15.00 A C -ATOM 1619 HB1 LYS A 187 -6.358 -19.875 13.479 1.00 15.00 A H -ATOM 1620 HB2 LYS A 187 -6.996 -18.957 12.121 1.00 15.00 A H -ATOM 1621 CG LYS A 187 -8.243 -18.964 13.841 1.00 15.00 A C -ATOM 1622 HG1 LYS A 187 -8.791 -18.103 13.488 1.00 15.00 A H -ATOM 1623 HG2 LYS A 187 -8.120 -18.902 14.912 1.00 15.00 A H -ATOM 1624 CD LYS A 187 -9.036 -20.222 13.517 1.00 15.00 A C -ATOM 1625 HD1 LYS A 187 -8.497 -21.084 13.882 1.00 15.00 A H -ATOM 1626 HD2 LYS A 187 -9.157 -20.293 12.447 1.00 15.00 A H -ATOM 1627 CE LYS A 187 -10.412 -20.183 14.169 1.00 15.00 A C -ATOM 1628 HE1 LYS A 187 -10.990 -19.398 13.703 1.00 15.00 A H -ATOM 1629 HE2 LYS A 187 -10.289 -19.962 15.220 1.00 15.00 A H -ATOM 1630 NZ LYS A 187 -11.143 -21.473 14.028 1.00 15.00 A N -ATOM 1631 HZ1 LYS A 187 -11.259 -21.712 13.023 1.00 15.00 A H -ATOM 1632 HZ2 LYS A 187 -12.085 -21.400 14.466 1.00 15.00 A H -ATOM 1633 HZ3 LYS A 187 -10.616 -22.237 14.498 1.00 15.00 A H -ATOM 1634 C LYS A 187 -4.591 -17.925 13.028 1.00 15.00 A C -ATOM 1635 O LYS A 187 -3.705 -18.468 13.689 1.00 15.00 A O -ATOM 1636 N ALA A 188 -4.382 -17.429 11.810 1.00 15.00 A N -ATOM 1637 HN ALA A 188 -5.121 -16.990 11.333 1.00 15.00 A H -ATOM 1638 CA ALA A 188 -3.075 -17.539 11.173 1.00 15.00 A C -ATOM 1639 HA ALA A 188 -2.331 -17.447 11.943 1.00 15.00 A H -ATOM 1640 CB ALA A 188 -2.926 -18.920 10.546 1.00 15.00 A C -ATOM 1641 HB1 ALA A 188 -3.687 -19.060 9.793 1.00 15.00 A H -ATOM 1642 HB2 ALA A 188 -3.034 -19.674 11.312 1.00 15.00 A H -ATOM 1643 HB3 ALA A 188 -1.949 -19.004 10.093 1.00 15.00 A H -ATOM 1644 C ALA A 188 -2.833 -16.440 10.137 1.00 15.00 A C -ATOM 1645 O ALA A 188 -3.715 -15.631 9.847 1.00 15.00 A O -ATOM 1646 N TRP A 189 -1.623 -16.431 9.583 1.00 15.00 A N -ATOM 1647 HN TRP A 189 -0.975 -17.115 9.853 1.00 15.00 A H -ATOM 1648 CA TRP A 189 -1.222 -15.444 8.583 1.00 15.00 A C -ATOM 1649 HA TRP A 189 -1.819 -14.551 8.720 1.00 15.00 A H -ATOM 1650 CB TRP A 189 0.251 -15.084 8.760 1.00 15.00 A C -ATOM 1651 HB1 TRP A 189 0.632 -14.700 7.823 1.00 15.00 A H -ATOM 1652 HB2 TRP A 189 0.809 -15.974 9.027 1.00 15.00 A H -ATOM 1653 CG TRP A 189 0.505 -14.063 9.824 1.00 15.00 A C -ATOM 1654 CD1 TRP A 189 0.929 -14.305 11.102 1.00 15.00 A C -ATOM 1655 HD1 TRP A 189 1.111 -15.293 11.502 1.00 15.00 A H -ATOM 1656 CD2 TRP A 189 0.392 -12.641 9.705 1.00 15.00 A C -ATOM 1657 NE1 TRP A 189 1.093 -13.122 11.778 1.00 15.00 A N -ATOM 1658 HE1 TRP A 189 1.394 -13.031 12.701 1.00 15.00 A H -ATOM 1659 CE2 TRP A 189 0.761 -12.086 10.946 1.00 15.00 A C -ATOM 1660 CE3 TRP A 189 0.016 -11.782 8.669 1.00 15.00 A C -ATOM 1661 HE3 TRP A 189 -0.269 -12.167 7.703 1.00 15.00 A H -ATOM 1662 CZ2 TRP A 189 0.760 -10.711 11.177 1.00 15.00 A C -ATOM 1663 HZ2 TRP A 189 1.037 -10.287 12.133 1.00 15.00 A H -ATOM 1664 CZ3 TRP A 189 0.017 -10.421 8.896 1.00 15.00 A C -ATOM 1665 HZ3 TRP A 189 -0.266 -9.739 8.101 1.00 15.00 A H -ATOM 1666 CH2 TRP A 189 0.388 -9.893 10.144 1.00 15.00 A C -ATOM 1667 HH2 TRP A 189 0.376 -8.821 10.272 1.00 15.00 A H -ATOM 1668 C TRP A 189 -1.415 -15.959 7.162 1.00 15.00 A C -ATOM 1669 O TRP A 189 -1.215 -17.142 6.880 1.00 15.00 A O -ATOM 1670 N LEU A 190 -1.807 -15.056 6.273 1.00 15.00 A N -ATOM 1671 HN LEU A 190 -2.002 -14.141 6.575 1.00 15.00 A H -ATOM 1672 CA LEU A 190 -1.996 -15.389 4.872 1.00 15.00 A C -ATOM 1673 HA LEU A 190 -1.745 -16.427 4.742 1.00 15.00 A H -ATOM 1674 CB LEU A 190 -3.442 -15.175 4.446 1.00 15.00 A C -ATOM 1675 HB1 LEU A 190 -3.747 -14.177 4.720 1.00 15.00 A H -ATOM 1676 HB2 LEU A 190 -4.065 -15.888 4.975 1.00 15.00 A H -ATOM 1677 CG LEU A 190 -3.656 -15.356 2.952 1.00 15.00 A C -ATOM 1678 HG LEU A 190 -2.834 -14.892 2.431 1.00 15.00 A H -ATOM 1679 CD1 LEU A 190 -3.655 -16.832 2.603 1.00 15.00 A C -ATOM 1680 HD11 LEU A 190 -3.617 -16.947 1.531 1.00 15.00 A H -ATOM 1681 HD12 LEU A 190 -4.554 -17.294 2.982 1.00 15.00 A H -ATOM 1682 HD13 LEU A 190 -2.791 -17.306 3.046 1.00 15.00 A H -ATOM 1683 CD2 LEU A 190 -4.938 -14.680 2.501 1.00 15.00 A C -ATOM 1684 HD21 LEU A 190 -5.787 -15.203 2.912 1.00 15.00 A H -ATOM 1685 HD22 LEU A 190 -4.990 -14.697 1.424 1.00 15.00 A H -ATOM 1686 HD23 LEU A 190 -4.943 -13.655 2.845 1.00 15.00 A H -ATOM 1687 C LEU A 190 -1.063 -14.552 4.003 1.00 15.00 A C -ATOM 1688 O LEU A 190 -1.092 -13.325 4.054 1.00 15.00 A O -ATOM 1689 N HIS A 191 -0.260 -15.222 3.180 1.00 15.00 A N -ATOM 1690 HN HIS A 191 -0.318 -16.200 3.142 1.00 15.00 A H -ATOM 1691 CA HIS A 191 0.703 -14.530 2.331 1.00 15.00 A C -ATOM 1692 HA HIS A 191 0.528 -13.472 2.423 1.00 15.00 A H -ATOM 1693 CB HIS A 191 2.138 -14.832 2.780 1.00 15.00 A C -ATOM 1694 HB1 HIS A 191 2.811 -14.170 2.257 1.00 15.00 A H -ATOM 1695 HB2 HIS A 191 2.376 -15.851 2.515 1.00 15.00 A H -ATOM 1696 CG HIS A 191 2.392 -14.679 4.247 1.00 15.00 A C -ATOM 1697 ND1 HIS A 191 2.702 -13.482 4.848 1.00 15.00 A N -ATOM 1698 HD1 HIS A 191 2.744 -12.608 4.404 1.00 15.00 A H -ATOM 1699 CD2 HIS A 191 2.434 -15.616 5.225 1.00 15.00 A C -ATOM 1700 HD2 HIS A 191 2.241 -16.674 5.101 1.00 15.00 A H -ATOM 1701 CE1 HIS A 191 2.924 -13.723 6.145 1.00 15.00 A C -ATOM 1702 HE1 HIS A 191 3.195 -12.968 6.868 1.00 15.00 A H -ATOM 1703 NE2 HIS A 191 2.772 -15.005 6.425 1.00 15.00 A N -ATOM 1704 C HIS A 191 0.588 -14.915 0.859 1.00 15.00 A C -ATOM 1705 O HIS A 191 0.897 -16.044 0.474 1.00 15.00 A O -ATOM 1706 N VAL A 192 0.144 -13.970 0.038 1.00 15.00 A N -ATOM 1707 HN VAL A 192 -0.167 -13.118 0.411 1.00 15.00 A H -ATOM 1708 CA VAL A 192 0.068 -14.193 -1.399 1.00 15.00 A C -ATOM 1709 HA VAL A 192 0.063 -15.265 -1.553 1.00 15.00 A H -ATOM 1710 CB VAL A 192 -1.239 -13.608 -2.027 1.00 15.00 A C -ATOM 1711 HB VAL A 192 -1.694 -14.393 -2.615 1.00 15.00 A H -ATOM 1712 CG1 VAL A 192 -2.230 -13.219 -0.945 1.00 15.00 A C -ATOM 1713 HG11 VAL A 192 -3.126 -12.825 -1.402 1.00 15.00 A H -ATOM 1714 HG12 VAL A 192 -1.789 -12.468 -0.309 1.00 15.00 A H -ATOM 1715 HG13 VAL A 192 -2.480 -14.090 -0.357 1.00 15.00 A H -ATOM 1716 CG2 VAL A 192 -0.995 -12.421 -2.953 1.00 15.00 A C -ATOM 1717 HG21 VAL A 192 -0.552 -11.613 -2.390 1.00 15.00 A H -ATOM 1718 HG22 VAL A 192 -1.936 -12.095 -3.373 1.00 15.00 A H -ATOM 1719 HG23 VAL A 192 -0.329 -12.715 -3.750 1.00 15.00 A H -ATOM 1720 C VAL A 192 1.348 -13.633 -2.032 1.00 15.00 A C -ATOM 1721 O VAL A 192 1.611 -12.429 -2.016 1.00 15.00 A O -ATOM 1722 N CYS A 193 2.189 -14.537 -2.511 1.00 15.00 A N -ATOM 1723 HN CYS A 193 1.948 -15.487 -2.466 1.00 15.00 A H -ATOM 1724 CA CYS A 193 3.462 -14.157 -3.101 1.00 15.00 A C -ATOM 1725 HA CYS A 193 3.613 -13.104 -2.915 1.00 15.00 A H -ATOM 1726 HB1 CYS A 193 5.520 -14.441 -2.575 1.00 15.00 A H -ATOM 1727 HB2 CYS A 193 4.630 -15.938 -2.850 1.00 15.00 A H -ATOM 1728 C CYS A 193 3.444 -14.391 -4.606 1.00 15.00 A C -ATOM 1729 O CYS A 193 3.002 -15.437 -5.073 1.00 15.00 A O -ATOM 1730 CB CYS A 193 4.580 -14.949 -2.420 1.00 15.00 A C -ATOM 1731 SG CYS A 193 4.334 -15.130 -0.622 1.00 15.00 A S -ATOM 1732 N ILE A 194 3.940 -13.420 -5.369 1.00 15.00 A N -ATOM 1733 HN ILE A 194 4.334 -12.628 -4.950 1.00 15.00 A H -ATOM 1734 CA ILE A 194 3.924 -13.529 -6.823 1.00 15.00 A C -ATOM 1735 HA ILE A 194 3.536 -14.504 -7.073 1.00 15.00 A H -ATOM 1736 CB ILE A 194 2.991 -12.478 -7.448 1.00 15.00 A C -ATOM 1737 HB ILE A 194 3.352 -11.499 -7.173 1.00 15.00 A H -ATOM 1738 CG1 ILE A 194 1.571 -12.654 -6.910 1.00 15.00 A C -ATOM 1739 HG11 ILE A 194 1.611 -12.752 -5.837 1.00 15.00 A H -ATOM 1740 HG12 ILE A 194 1.141 -13.550 -7.335 1.00 15.00 A H -ATOM 1741 CG2 ILE A 194 3.015 -12.583 -8.968 1.00 15.00 A C -ATOM 1742 HG21 ILE A 194 2.425 -13.429 -9.282 1.00 15.00 A H -ATOM 1743 HG22 ILE A 194 4.034 -12.710 -9.302 1.00 15.00 A H -ATOM 1744 HG23 ILE A 194 2.608 -11.678 -9.398 1.00 15.00 A H -ATOM 1745 CD1 ILE A 194 0.660 -11.500 -7.239 1.00 15.00 A C -ATOM 1746 HD11 ILE A 194 0.599 -11.385 -8.312 1.00 15.00 A H -ATOM 1747 HD12 ILE A 194 1.054 -10.596 -6.801 1.00 15.00 A H -ATOM 1748 HD13 ILE A 194 -0.323 -11.695 -6.842 1.00 15.00 A H -ATOM 1749 C ILE A 194 5.304 -13.386 -7.438 1.00 15.00 A C -ATOM 1750 O ILE A 194 5.923 -12.323 -7.393 1.00 15.00 A O -ATOM 1751 N THR A 195 5.763 -14.470 -8.039 1.00 15.00 A N -ATOM 1752 HN THR A 195 5.215 -15.286 -8.039 1.00 15.00 A H -ATOM 1753 CA THR A 195 7.054 -14.497 -8.695 1.00 15.00 A C -ATOM 1754 HA THR A 195 7.395 -13.481 -8.804 1.00 15.00 A H -ATOM 1755 CB THR A 195 8.086 -15.267 -7.850 1.00 15.00 A C -ATOM 1756 HB THR A 195 8.399 -16.150 -8.387 1.00 15.00 A H -ATOM 1757 OG1 THR A 195 7.498 -15.657 -6.604 1.00 15.00 A O -ATOM 1758 HG1 THR A 195 7.336 -16.602 -6.604 1.00 15.00 A H -ATOM 1759 CG2 THR A 195 9.306 -14.397 -7.587 1.00 15.00 A C -ATOM 1760 HG21 THR A 195 9.532 -13.821 -8.472 1.00 15.00 A H -ATOM 1761 HG22 THR A 195 10.152 -15.019 -7.338 1.00 15.00 A H -ATOM 1762 HG23 THR A 195 9.102 -13.725 -6.764 1.00 15.00 A H -ATOM 1763 C THR A 195 6.929 -15.129 -10.081 1.00 15.00 A C -ATOM 1764 O THR A 195 5.821 -15.383 -10.544 1.00 15.00 A O -ATOM 1765 N GLY A 196 8.057 -15.358 -10.752 1.00 15.00 A N -ATOM 1766 HN GLY A 196 8.918 -15.123 -10.345 1.00 15.00 A H -ATOM 1767 CA GLY A 196 8.018 -15.961 -12.075 1.00 15.00 A C -ATOM 1768 HA1 GLY A 196 7.063 -16.455 -12.197 1.00 15.00 A H -ATOM 1769 HA2 GLY A 196 8.798 -16.702 -12.141 1.00 15.00 A H -ATOM 1770 C GLY A 196 8.197 -14.962 -13.203 1.00 15.00 A C -ATOM 1771 O GLY A 196 8.484 -13.789 -12.963 1.00 15.00 A O -ATOM 1772 N ASP A 197 8.019 -15.437 -14.440 1.00 15.00 A N -ATOM 1773 HN ASP A 197 7.789 -16.382 -14.557 1.00 15.00 A H -ATOM 1774 CA ASP A 197 8.160 -14.591 -15.626 1.00 15.00 A C -ATOM 1775 HA ASP A 197 9.096 -14.056 -15.542 1.00 15.00 A H -ATOM 1776 CB ASP A 197 8.189 -15.443 -16.899 1.00 15.00 A C -ATOM 1777 HB1 ASP A 197 8.073 -14.800 -17.758 1.00 15.00 A H -ATOM 1778 HB2 ASP A 197 7.370 -16.151 -16.871 1.00 15.00 A H -ATOM 1779 CG ASP A 197 9.483 -16.218 -17.050 1.00 15.00 A C -ATOM 1780 OD1 ASP A 197 10.561 -15.608 -16.893 1.00 15.00 A O -ATOM 1781 OD2 ASP A 197 9.418 -17.433 -17.331 1.00 15.00 A O -ATOM 1782 C ASP A 197 7.026 -13.585 -15.717 1.00 15.00 A C -ATOM 1783 O ASP A 197 5.923 -13.839 -15.243 1.00 15.00 A O -ATOM 1784 N ASP A 198 7.307 -12.438 -16.318 1.00 15.00 A N -ATOM 1785 HN ASP A 198 8.217 -12.284 -16.652 1.00 15.00 A H -ATOM 1786 CA ASP A 198 6.305 -11.391 -16.480 1.00 15.00 A C -ATOM 1787 HA ASP A 198 5.979 -11.082 -15.497 1.00 15.00 A H -ATOM 1788 CB ASP A 198 6.924 -10.188 -17.197 1.00 15.00 A C -ATOM 1789 HB1 ASP A 198 6.167 -9.431 -17.345 1.00 15.00 A H -ATOM 1790 HB2 ASP A 198 7.304 -10.504 -18.159 1.00 15.00 A H -ATOM 1791 CG ASP A 198 8.067 -9.578 -16.409 1.00 15.00 A C -ATOM 1792 OD1 ASP A 198 8.095 -9.752 -15.171 1.00 15.00 A O -ATOM 1793 OD2 ASP A 198 8.933 -8.924 -17.027 1.00 15.00 A O -ATOM 1794 C ASP A 198 5.101 -11.908 -17.267 1.00 15.00 A C -ATOM 1795 O ASP A 198 3.956 -11.632 -16.926 1.00 15.00 A O -ATOM 1796 N LYS A 199 5.382 -12.694 -18.300 1.00 15.00 A N -ATOM 1797 HN LYS A 199 6.320 -12.902 -18.490 1.00 15.00 A H -ATOM 1798 CA LYS A 199 4.346 -13.250 -19.174 1.00 15.00 A C -ATOM 1799 HA LYS A 199 3.577 -12.502 -19.297 1.00 15.00 A H -ATOM 1800 CB LYS A 199 4.958 -13.550 -20.545 1.00 15.00 A C -ATOM 1801 HB1 LYS A 199 4.164 -13.636 -21.273 1.00 15.00 A H -ATOM 1802 HB2 LYS A 199 5.492 -14.485 -20.492 1.00 15.00 A H -ATOM 1803 CG LYS A 199 5.924 -12.474 -21.020 1.00 15.00 A C -ATOM 1804 HG1 LYS A 199 6.389 -12.797 -21.938 1.00 15.00 A H -ATOM 1805 HG2 LYS A 199 6.680 -12.326 -20.264 1.00 15.00 A H -ATOM 1806 CD LYS A 199 5.206 -11.156 -21.260 1.00 15.00 A C -ATOM 1807 HD1 LYS A 199 5.941 -10.377 -21.401 1.00 15.00 A H -ATOM 1808 HD2 LYS A 199 4.596 -10.929 -20.399 1.00 15.00 A H -ATOM 1809 CE LYS A 199 4.314 -11.227 -22.488 1.00 15.00 A C -ATOM 1810 HE1 LYS A 199 3.675 -12.091 -22.402 1.00 15.00 A H -ATOM 1811 HE2 LYS A 199 4.939 -11.327 -23.362 1.00 15.00 A H -ATOM 1812 NZ LYS A 199 3.468 -10.011 -22.632 1.00 15.00 A N -ATOM 1813 HZ1 LYS A 199 4.068 -9.166 -22.715 1.00 15.00 A H -ATOM 1814 HZ2 LYS A 199 2.851 -9.905 -21.801 1.00 15.00 A H -ATOM 1815 HZ3 LYS A 199 2.875 -10.088 -23.483 1.00 15.00 A H -ATOM 1816 C LYS A 199 3.708 -14.526 -18.610 1.00 15.00 A C -ATOM 1817 O LYS A 199 2.694 -14.991 -19.128 1.00 15.00 A O -ATOM 1818 N ASN A 200 4.293 -15.086 -17.555 1.00 15.00 A N -ATOM 1819 HN ASN A 200 5.084 -14.660 -17.159 1.00 15.00 A H -ATOM 1820 CA ASN A 200 3.769 -16.319 -16.963 1.00 15.00 A C -ATOM 1821 HA ASN A 200 2.693 -16.310 -17.065 1.00 15.00 A H -ATOM 1822 CB ASN A 200 4.330 -17.528 -17.719 1.00 15.00 A C -ATOM 1823 HB1 ASN A 200 5.222 -17.874 -17.214 1.00 15.00 A H -ATOM 1824 HB2 ASN A 200 4.586 -17.227 -18.722 1.00 15.00 A H -ATOM 1825 CG ASN A 200 3.352 -18.684 -17.804 1.00 15.00 A C -ATOM 1826 OD1 ASN A 200 2.184 -18.560 -17.435 1.00 15.00 A O -ATOM 1827 ND2 ASN A 200 3.828 -19.816 -18.308 1.00 15.00 A N -ATOM 1828 HD21 ASN A 200 4.766 -19.836 -18.591 1.00 15.00 A H -ATOM 1829 HD22 ASN A 200 3.222 -20.583 -18.378 1.00 15.00 A H -ATOM 1830 C ASN A 200 4.121 -16.418 -15.477 1.00 15.00 A C -ATOM 1831 O ASN A 200 4.856 -17.316 -15.061 1.00 15.00 A O -ATOM 1832 N ALA A 201 3.593 -15.489 -14.682 1.00 15.00 A N -ATOM 1833 HN ALA A 201 3.021 -14.794 -15.070 1.00 15.00 A H -ATOM 1834 CA ALA A 201 3.855 -15.475 -13.245 1.00 15.00 A C -ATOM 1835 HA ALA A 201 4.868 -15.818 -13.091 1.00 15.00 A H -ATOM 1836 CB ALA A 201 3.750 -14.055 -12.699 1.00 15.00 A C -ATOM 1837 HB1 ALA A 201 2.870 -13.575 -13.100 1.00 15.00 A H -ATOM 1838 HB2 ALA A 201 4.628 -13.494 -12.983 1.00 15.00 A H -ATOM 1839 HB3 ALA A 201 3.682 -14.087 -11.619 1.00 15.00 A H -ATOM 1840 C ALA A 201 2.906 -16.411 -12.496 1.00 15.00 A C -ATOM 1841 O ALA A 201 1.820 -16.735 -12.985 1.00 15.00 A O -ATOM 1842 N THR A 202 3.330 -16.846 -11.312 1.00 15.00 A N -ATOM 1843 HN THR A 202 4.208 -16.555 -10.988 1.00 15.00 A H -ATOM 1844 CA THR A 202 2.531 -17.741 -10.480 1.00 15.00 A C -ATOM 1845 HA THR A 202 1.547 -17.809 -10.921 1.00 15.00 A H -ATOM 1846 CB THR A 202 3.135 -19.167 -10.429 1.00 15.00 A C -ATOM 1847 HB THR A 202 2.776 -19.713 -11.290 1.00 15.00 A H -ATOM 1848 OG1 THR A 202 2.696 -19.847 -9.244 1.00 15.00 A O -ATOM 1849 HG1 THR A 202 3.389 -20.428 -8.930 1.00 15.00 A H -ATOM 1850 CG2 THR A 202 4.662 -19.135 -10.480 1.00 15.00 A C -ATOM 1851 HG21 THR A 202 5.044 -18.563 -9.646 1.00 15.00 A H -ATOM 1852 HG22 THR A 202 4.982 -18.678 -11.405 1.00 15.00 A H -ATOM 1853 HG23 THR A 202 5.044 -20.145 -10.429 1.00 15.00 A H -ATOM 1854 C THR A 202 2.390 -17.196 -9.058 1.00 15.00 A C -ATOM 1855 O THR A 202 3.371 -16.781 -8.442 1.00 15.00 A O -ATOM 1856 N ALA A 203 1.160 -17.194 -8.543 1.00 15.00 A N -ATOM 1857 HN ALA A 203 0.415 -17.537 -9.081 1.00 15.00 A H -ATOM 1858 CA ALA A 203 0.900 -16.696 -7.200 1.00 15.00 A C -ATOM 1859 HA ALA A 203 1.760 -16.124 -6.891 1.00 15.00 A H -ATOM 1860 CB ALA A 203 -0.308 -15.770 -7.195 1.00 15.00 A C -ATOM 1861 HB1 ALA A 203 -1.215 -16.354 -7.179 1.00 15.00 A H -ATOM 1862 HB2 ALA A 203 -0.291 -15.157 -8.084 1.00 15.00 A H -ATOM 1863 HB3 ALA A 203 -0.269 -15.136 -6.322 1.00 15.00 A H -ATOM 1864 C ALA A 203 0.704 -17.838 -6.214 1.00 15.00 A C -ATOM 1865 O ALA A 203 -0.162 -18.690 -6.392 1.00 15.00 A O -ATOM 1866 N SER A 204 1.526 -17.841 -5.176 1.00 15.00 A N -ATOM 1867 HN SER A 204 2.194 -17.128 -5.099 1.00 15.00 A H -ATOM 1868 CA SER A 204 1.469 -18.865 -4.149 1.00 15.00 A C -ATOM 1869 HA SER A 204 0.967 -19.725 -4.556 1.00 15.00 A H -ATOM 1870 CB SER A 204 2.882 -19.267 -3.730 1.00 15.00 A C -ATOM 1871 HB1 SER A 204 2.829 -20.115 -3.059 1.00 15.00 A H -ATOM 1872 HB2 SER A 204 3.353 -18.437 -3.227 1.00 15.00 A H -ATOM 1873 OG SER A 204 3.666 -19.622 -4.853 1.00 15.00 A O -ATOM 1874 HG SER A 204 4.310 -18.932 -5.025 1.00 15.00 A H -ATOM 1875 C SER A 204 0.690 -18.366 -2.942 1.00 15.00 A C -ATOM 1876 O SER A 204 0.930 -17.264 -2.445 1.00 15.00 A O -ATOM 1877 N PHE A 205 -0.232 -19.191 -2.469 1.00 15.00 A N -ATOM 1878 HN PHE A 205 -0.363 -20.062 -2.905 1.00 15.00 A H -ATOM 1879 CA PHE A 205 -1.049 -18.843 -1.318 1.00 15.00 A C -ATOM 1880 HA PHE A 205 -0.904 -17.790 -1.121 1.00 15.00 A H -ATOM 1881 CB PHE A 205 -2.521 -19.091 -1.623 1.00 15.00 A C -ATOM 1882 HB1 PHE A 205 -3.109 -18.901 -0.745 1.00 15.00 A H -ATOM 1883 HB2 PHE A 205 -2.661 -20.114 -1.922 1.00 15.00 A H -ATOM 1884 CG PHE A 205 -3.019 -18.209 -2.727 1.00 15.00 A C -ATOM 1885 CD1 PHE A 205 -2.905 -18.605 -4.048 1.00 15.00 A C -ATOM 1886 HD1 PHE A 205 -2.466 -19.561 -4.280 1.00 15.00 A H -ATOM 1887 CD2 PHE A 205 -3.584 -16.975 -2.442 1.00 15.00 A C -ATOM 1888 HD2 PHE A 205 -3.691 -16.664 -1.415 1.00 15.00 A H -ATOM 1889 CE1 PHE A 205 -3.344 -17.782 -5.071 1.00 15.00 A C -ATOM 1890 HE1 PHE A 205 -3.257 -18.107 -6.097 1.00 15.00 A H -ATOM 1891 CE2 PHE A 205 -4.027 -16.154 -3.461 1.00 15.00 A C -ATOM 1892 HE2 PHE A 205 -4.461 -15.192 -3.228 1.00 15.00 A H -ATOM 1893 CZ PHE A 205 -3.903 -16.554 -4.779 1.00 15.00 A C -ATOM 1894 HZ PHE A 205 -4.241 -15.910 -5.576 1.00 15.00 A H -ATOM 1895 C PHE A 205 -0.599 -19.626 -0.095 1.00 15.00 A C -ATOM 1896 O PHE A 205 -1.037 -20.754 0.142 1.00 15.00 A O -ATOM 1897 N ILE A 206 0.281 -19.004 0.685 1.00 15.00 A N -ATOM 1898 HN ILE A 206 0.560 -18.094 0.447 1.00 15.00 A H -ATOM 1899 CA ILE A 206 0.841 -19.619 1.884 1.00 15.00 A C -ATOM 1900 HA ILE A 206 0.824 -20.690 1.745 1.00 15.00 A H -ATOM 1901 CB ILE A 206 2.313 -19.178 2.071 1.00 15.00 A C -ATOM 1902 HB ILE A 206 2.346 -18.097 2.082 1.00 15.00 A H -ATOM 1903 CG1 ILE A 206 3.153 -19.689 0.895 1.00 15.00 A C -ATOM 1904 HG11 ILE A 206 2.525 -19.765 0.023 1.00 15.00 A H -ATOM 1905 HG12 ILE A 206 3.542 -20.668 1.141 1.00 15.00 A H -ATOM 1906 CG2 ILE A 206 2.874 -19.684 3.393 1.00 15.00 A C -ATOM 1907 HG21 ILE A 206 2.159 -19.499 4.183 1.00 15.00 A H -ATOM 1908 HG22 ILE A 206 3.793 -19.165 3.615 1.00 15.00 A H -ATOM 1909 HG23 ILE A 206 3.066 -20.745 3.324 1.00 15.00 A H -ATOM 1910 CD1 ILE A 206 4.329 -18.806 0.545 1.00 15.00 A C -ATOM 1911 HD11 ILE A 206 5.006 -18.758 1.385 1.00 15.00 A H -ATOM 1912 HD12 ILE A 206 3.974 -17.816 0.307 1.00 15.00 A H -ATOM 1913 HD13 ILE A 206 4.845 -19.221 -0.308 1.00 15.00 A H -ATOM 1914 C ILE A 206 0.026 -19.271 3.129 1.00 15.00 A C -ATOM 1915 O ILE A 206 -0.058 -18.109 3.531 1.00 15.00 A O -ATOM 1916 N TYR A 207 -0.573 -20.295 3.738 1.00 15.00 A N -ATOM 1917 HN TYR A 207 -0.469 -21.195 3.366 1.00 15.00 A H -ATOM 1918 CA TYR A 207 -1.385 -20.111 4.938 1.00 15.00 A C -ATOM 1919 HA TYR A 207 -1.301 -19.080 5.232 1.00 15.00 A H -ATOM 1920 CB TYR A 207 -2.852 -20.422 4.640 1.00 15.00 A C -ATOM 1921 HB1 TYR A 207 -2.942 -21.461 4.361 1.00 15.00 A H -ATOM 1922 HB2 TYR A 207 -3.184 -19.807 3.822 1.00 15.00 A H -ATOM 1923 CG TYR A 207 -3.773 -20.170 5.814 1.00 15.00 A C -ATOM 1924 CD1 TYR A 207 -4.224 -18.885 6.100 1.00 15.00 A C -ATOM 1925 HD1 TYR A 207 -3.907 -18.067 5.476 1.00 15.00 A H -ATOM 1926 CD2 TYR A 207 -4.179 -21.211 6.640 1.00 15.00 A C -ATOM 1927 HD2 TYR A 207 -3.839 -22.212 6.430 1.00 15.00 A H -ATOM 1928 CE1 TYR A 207 -5.054 -18.647 7.181 1.00 15.00 A C -ATOM 1929 HE1 TYR A 207 -5.392 -17.642 7.394 1.00 15.00 A H -ATOM 1930 CE2 TYR A 207 -5.007 -20.980 7.719 1.00 15.00 A C -ATOM 1931 HE2 TYR A 207 -5.301 -21.803 8.364 1.00 15.00 A H -ATOM 1932 CZ TYR A 207 -5.439 -19.698 7.986 1.00 15.00 A C -ATOM 1933 OH TYR A 207 -6.253 -19.469 9.071 1.00 15.00 A O -ATOM 1934 HH TYR A 207 -6.919 -18.807 8.846 1.00 15.00 A H -ATOM 1935 C TYR A 207 -0.896 -20.988 6.091 1.00 15.00 A C -ATOM 1936 O TYR A 207 -0.779 -22.210 5.953 1.00 15.00 A O -ATOM 1937 N ASP A 208 -0.607 -20.340 7.223 1.00 15.00 A N -ATOM 1938 HN ASP A 208 -0.702 -19.363 7.236 1.00 15.00 A H -ATOM 1939 CA ASP A 208 -0.145 -21.014 8.443 1.00 15.00 A C -ATOM 1940 HA ASP A 208 0.065 -20.239 9.167 1.00 15.00 A H -ATOM 1941 CB ASP A 208 -1.255 -21.918 9.014 1.00 15.00 A C -ATOM 1942 HB1 ASP A 208 -1.386 -22.771 8.366 1.00 15.00 A H -ATOM 1943 HB2 ASP A 208 -2.178 -21.358 9.056 1.00 15.00 A H -ATOM 1944 CG ASP A 208 -0.949 -22.420 10.419 1.00 15.00 A C -ATOM 1945 OD1 ASP A 208 -0.670 -21.583 11.302 1.00 15.00 A O -ATOM 1946 OD2 ASP A 208 -0.982 -23.653 10.632 1.00 15.00 A O -ATOM 1947 C ASP A 208 1.150 -21.810 8.211 1.00 15.00 A C -ATOM 1948 O ASP A 208 1.383 -22.838 8.844 1.00 15.00 A O -ATOM 1949 N GLY A 209 1.994 -21.331 7.295 1.00 15.00 A N -ATOM 1950 HN GLY A 209 1.757 -20.522 6.796 1.00 15.00 A H -ATOM 1951 CA GLY A 209 3.260 -22.003 7.040 1.00 15.00 A C -ATOM 1952 HA1 GLY A 209 3.515 -22.586 7.915 1.00 15.00 A H -ATOM 1953 HA2 GLY A 209 4.025 -21.257 6.894 1.00 15.00 A H -ATOM 1954 C GLY A 209 3.250 -22.928 5.836 1.00 15.00 A C -ATOM 1955 O GLY A 209 4.302 -23.192 5.256 1.00 15.00 A O -ATOM 1956 N ARG A 210 2.083 -23.417 5.440 1.00 15.00 A N -ATOM 1957 HN ARG A 210 1.259 -23.149 5.902 1.00 15.00 A H -ATOM 1958 CA ARG A 210 2.013 -24.344 4.311 1.00 15.00 A C -ATOM 1959 HA ARG A 210 3.004 -24.727 4.138 1.00 15.00 A H -ATOM 1960 CB ARG A 210 1.083 -25.523 4.613 1.00 15.00 A C -ATOM 1961 HB1 ARG A 210 1.581 -26.437 4.322 1.00 15.00 A H -ATOM 1962 HB2 ARG A 210 0.188 -25.414 4.019 1.00 15.00 A H -ATOM 1963 CG ARG A 210 0.667 -25.653 6.064 1.00 15.00 A C -ATOM 1964 HG1 ARG A 210 -0.411 -25.599 6.126 1.00 15.00 A H -ATOM 1965 HG2 ARG A 210 1.108 -24.848 6.635 1.00 15.00 A H -ATOM 1966 CD ARG A 210 1.130 -26.979 6.637 1.00 15.00 A C -ATOM 1967 HD1 ARG A 210 2.196 -26.930 6.800 1.00 15.00 A H -ATOM 1968 HD2 ARG A 210 0.909 -27.761 5.925 1.00 15.00 A H -ATOM 1969 NE ARG A 210 0.471 -27.289 7.901 1.00 15.00 A N -ATOM 1970 HE ARG A 210 -0.283 -27.916 7.876 1.00 15.00 A H -ATOM 1971 CZ ARG A 210 0.834 -26.774 9.072 1.00 15.00 A C -ATOM 1972 NH1 ARG A 210 1.854 -25.928 9.144 1.00 15.00 A N -ATOM 1973 HH11 ARG A 210 2.373 -25.663 8.281 1.00 15.00 A H -ATOM 1974 HH12 ARG A 210 2.133 -25.524 10.060 1.00 15.00 A H -ATOM 1975 NH2 ARG A 210 0.175 -27.105 10.172 1.00 15.00 A N -ATOM 1976 HH21 ARG A 210 0.459 -26.703 11.089 1.00 15.00 A H -ATOM 1977 HH22 ARG A 210 -0.629 -27.763 10.121 1.00 15.00 A H -ATOM 1978 C ARG A 210 1.511 -23.692 3.039 1.00 15.00 A C -ATOM 1979 O ARG A 210 0.825 -22.673 3.067 1.00 15.00 A O -ATOM 1980 N LEU A 211 1.870 -24.310 1.919 1.00 15.00 A N -ATOM 1981 HN LEU A 211 2.466 -25.085 1.975 1.00 15.00 A H -ATOM 1982 CA LEU A 211 1.405 -23.877 0.618 1.00 15.00 A C -ATOM 1983 HA LEU A 211 1.253 -22.809 0.643 1.00 15.00 A H -ATOM 1984 CB LEU A 211 2.417 -24.242 -0.469 1.00 15.00 A C -ATOM 1985 HB1 LEU A 211 2.247 -25.267 -0.766 1.00 15.00 A H -ATOM 1986 HB2 LEU A 211 3.408 -24.166 -0.046 1.00 15.00 A H -ATOM 1987 CG LEU A 211 2.360 -23.366 -1.721 1.00 15.00 A C -ATOM 1988 HG LEU A 211 1.515 -22.701 -1.642 1.00 15.00 A H -ATOM 1989 CD1 LEU A 211 3.611 -22.507 -1.834 1.00 15.00 A C -ATOM 1990 HD11 LEU A 211 3.563 -21.705 -1.113 1.00 15.00 A H -ATOM 1991 HD12 LEU A 211 3.675 -22.090 -2.828 1.00 15.00 A H -ATOM 1992 HD13 LEU A 211 4.486 -23.111 -1.642 1.00 15.00 A H -ATOM 1993 CD2 LEU A 211 2.167 -24.222 -2.965 1.00 15.00 A C -ATOM 1994 HD21 LEU A 211 2.114 -23.585 -3.835 1.00 15.00 A H -ATOM 1995 HD22 LEU A 211 1.251 -24.785 -2.875 1.00 15.00 A H -ATOM 1996 HD23 LEU A 211 3.000 -24.904 -3.070 1.00 15.00 A H -ATOM 1997 C LEU A 211 0.074 -24.572 0.388 1.00 15.00 A C -ATOM 1998 O LEU A 211 0.011 -25.802 0.308 1.00 15.00 A O -ATOM 1999 N VAL A 212 -0.983 -23.791 0.296 1.00 15.00 A N -ATOM 2000 HN VAL A 212 -0.862 -22.816 0.293 1.00 15.00 A H -ATOM 2001 CA VAL A 212 -2.317 -24.344 0.172 1.00 15.00 A C -ATOM 2002 HA VAL A 212 -2.257 -25.397 0.399 1.00 15.00 A H -ATOM 2003 CB VAL A 212 -3.234 -23.691 1.231 1.00 15.00 A C -ATOM 2004 HB VAL A 212 -3.367 -22.652 0.973 1.00 15.00 A H -ATOM 2005 CG1 VAL A 212 -4.601 -24.355 1.266 1.00 15.00 A C -ATOM 2006 HG11 VAL A 212 -4.979 -24.448 0.260 1.00 15.00 A H -ATOM 2007 HG12 VAL A 212 -5.278 -23.750 1.851 1.00 15.00 A H -ATOM 2008 HG13 VAL A 212 -4.515 -25.335 1.712 1.00 15.00 A H -ATOM 2009 CG2 VAL A 212 -2.560 -23.755 2.599 1.00 15.00 A C -ATOM 2010 HG21 VAL A 212 -3.267 -23.487 3.368 1.00 15.00 A H -ATOM 2011 HG22 VAL A 212 -1.725 -23.069 2.621 1.00 15.00 A H -ATOM 2012 HG23 VAL A 212 -2.201 -24.761 2.774 1.00 15.00 A H -ATOM 2013 C VAL A 212 -2.904 -24.182 -1.226 1.00 15.00 A C -ATOM 2014 O VAL A 212 -3.784 -24.947 -1.621 1.00 15.00 A O -ATOM 2015 N ASP A 213 -2.402 -23.219 -1.988 1.00 15.00 A N -ATOM 2016 HN ASP A 213 -1.670 -22.660 -1.651 1.00 15.00 A H -ATOM 2017 CA ASP A 213 -2.923 -23.005 -3.330 1.00 15.00 A C -ATOM 2018 HA ASP A 213 -3.032 -23.974 -3.791 1.00 15.00 A H -ATOM 2019 CB ASP A 213 -4.303 -22.336 -3.267 1.00 15.00 A C -ATOM 2020 HB1 ASP A 213 -4.193 -21.279 -3.461 1.00 15.00 A H -ATOM 2021 HB2 ASP A 213 -4.716 -22.474 -2.277 1.00 15.00 A H -ATOM 2022 CG ASP A 213 -5.278 -22.913 -4.277 1.00 15.00 A C -ATOM 2023 OD1 ASP A 213 -4.825 -23.478 -5.297 1.00 15.00 A O -ATOM 2024 OD2 ASP A 213 -6.500 -22.801 -4.049 1.00 15.00 A O -ATOM 2025 C ASP A 213 -1.975 -22.174 -4.181 1.00 15.00 A C -ATOM 2026 O ASP A 213 -0.975 -21.644 -3.693 1.00 15.00 A O -ATOM 2027 N SER A 214 -2.307 -22.078 -5.463 1.00 15.00 A N -ATOM 2028 HN SER A 214 -3.119 -22.531 -5.774 1.00 15.00 A H -ATOM 2029 CA SER A 214 -1.515 -21.327 -6.424 1.00 15.00 A C -ATOM 2030 HA SER A 214 -1.225 -20.395 -5.961 1.00 15.00 A H -ATOM 2031 CB SER A 214 -0.259 -22.114 -6.799 1.00 15.00 A C -ATOM 2032 HB1 SER A 214 0.406 -22.148 -5.950 1.00 15.00 A H -ATOM 2033 HB2 SER A 214 0.233 -21.625 -7.624 1.00 15.00 A H -ATOM 2034 OG SER A 214 -0.581 -23.442 -7.182 1.00 15.00 A O -ATOM 2035 HG SER A 214 -1.535 -23.539 -7.233 1.00 15.00 A H -ATOM 2036 C SER A 214 -2.338 -21.025 -7.671 1.00 15.00 A C -ATOM 2037 O SER A 214 -3.243 -21.781 -8.020 1.00 15.00 A O -ATOM 2038 N ILE A 215 -2.023 -19.922 -8.343 1.00 15.00 A N -ATOM 2039 HN ILE A 215 -1.290 -19.355 -8.020 1.00 15.00 A H -ATOM 2040 CA ILE A 215 -2.747 -19.536 -9.549 1.00 15.00 A C -ATOM 2041 HA ILE A 215 -3.222 -20.424 -9.943 1.00 15.00 A H -ATOM 2042 CB ILE A 215 -3.853 -18.501 -9.226 1.00 15.00 A C -ATOM 2043 HB ILE A 215 -4.211 -18.704 -8.228 1.00 15.00 A H -ATOM 2044 CG1 ILE A 215 -5.023 -18.649 -10.205 1.00 15.00 A C -ATOM 2045 HG11 ILE A 215 -5.420 -19.650 -10.128 1.00 15.00 A H -ATOM 2046 HG12 ILE A 215 -4.669 -18.486 -11.213 1.00 15.00 A H -ATOM 2047 CG2 ILE A 215 -3.306 -17.075 -9.241 1.00 15.00 A C -ATOM 2048 HG21 ILE A 215 -3.605 -16.584 -10.156 1.00 15.00 A H -ATOM 2049 HG22 ILE A 215 -2.228 -17.101 -9.184 1.00 15.00 A H -ATOM 2050 HG23 ILE A 215 -3.698 -16.532 -8.396 1.00 15.00 A H -ATOM 2051 CD1 ILE A 215 -6.159 -17.681 -9.954 1.00 15.00 A C -ATOM 2052 HD11 ILE A 215 -7.041 -18.229 -9.656 1.00 15.00 A H -ATOM 2053 HD12 ILE A 215 -6.366 -17.128 -10.859 1.00 15.00 A H -ATOM 2054 HD13 ILE A 215 -5.879 -16.996 -9.170 1.00 15.00 A H -ATOM 2055 C ILE A 215 -1.795 -18.984 -10.609 1.00 15.00 A C -ATOM 2056 O ILE A 215 -0.754 -18.408 -10.286 1.00 15.00 A O -ATOM 2057 N GLY A 216 -2.147 -19.178 -11.873 1.00 15.00 A N -ATOM 2058 HN GLY A 216 -2.976 -19.666 -12.072 1.00 15.00 A H -ATOM 2059 CA GLY A 216 -1.314 -18.694 -12.956 1.00 15.00 A C -ATOM 2060 HA1 GLY A 216 -1.310 -19.433 -13.746 1.00 15.00 A H -ATOM 2061 HA2 GLY A 216 -0.308 -18.570 -12.591 1.00 15.00 A H -ATOM 2062 C GLY A 216 -1.791 -17.372 -13.531 1.00 15.00 A C -ATOM 2063 O GLY A 216 -2.942 -16.978 -13.327 1.00 15.00 A O -ATOM 2064 N SER A 217 -0.887 -16.688 -14.238 1.00 15.00 A N -ATOM 2065 HN SER A 217 0.013 -17.060 -14.328 1.00 15.00 A H -ATOM 2066 CA SER A 217 -1.189 -15.412 -14.889 1.00 15.00 A C -ATOM 2067 HA SER A 217 -1.504 -14.706 -14.132 1.00 15.00 A H -ATOM 2068 CB SER A 217 0.081 -14.891 -15.587 1.00 15.00 A C -ATOM 2069 HB1 SER A 217 0.424 -15.630 -16.296 1.00 15.00 A H -ATOM 2070 HB2 SER A 217 0.851 -14.726 -14.849 1.00 15.00 A H -ATOM 2071 OG SER A 217 -0.149 -13.678 -16.274 1.00 15.00 A O -ATOM 2072 HG SER A 217 -0.729 -13.118 -15.753 1.00 15.00 A H -ATOM 2073 C SER A 217 -2.321 -15.624 -15.897 1.00 15.00 A C -ATOM 2074 O SER A 217 -2.206 -16.477 -16.779 1.00 15.00 A O -ATOM 2075 N TRP A 218 -3.414 -14.866 -15.772 1.00 15.00 A N -ATOM 2076 HN TRP A 218 -3.448 -14.176 -15.074 1.00 15.00 A H -ATOM 2077 CA TRP A 218 -4.558 -15.049 -16.671 1.00 15.00 A C -ATOM 2078 HA TRP A 218 -4.537 -16.088 -16.972 1.00 15.00 A H -ATOM 2079 CB TRP A 218 -5.895 -14.801 -15.947 1.00 15.00 A C -ATOM 2080 HB1 TRP A 218 -6.140 -15.676 -15.360 1.00 15.00 A H -ATOM 2081 HB2 TRP A 218 -6.664 -14.660 -16.689 1.00 15.00 A H -ATOM 2082 CG TRP A 218 -5.929 -13.607 -15.034 1.00 15.00 A C -ATOM 2083 CD1 TRP A 218 -6.084 -12.300 -15.397 1.00 15.00 A C -ATOM 2084 HD1 TRP A 218 -6.182 -11.962 -16.417 1.00 15.00 A H -ATOM 2085 CD2 TRP A 218 -5.839 -13.616 -13.603 1.00 15.00 A C -ATOM 2086 NE1 TRP A 218 -6.089 -11.495 -14.283 1.00 15.00 A N -ATOM 2087 HE1 TRP A 218 -6.181 -10.518 -14.286 1.00 15.00 A H -ATOM 2088 CE2 TRP A 218 -5.937 -12.279 -13.170 1.00 15.00 A C -ATOM 2089 CE3 TRP A 218 -5.680 -14.620 -12.643 1.00 15.00 A C -ATOM 2090 HE3 TRP A 218 -5.604 -15.654 -12.930 1.00 15.00 A H -ATOM 2091 CZ2 TRP A 218 -5.880 -11.923 -11.818 1.00 15.00 A C -ATOM 2092 HZ2 TRP A 218 -5.956 -10.890 -11.493 1.00 15.00 A H -ATOM 2093 CZ3 TRP A 218 -5.627 -14.268 -11.303 1.00 15.00 A C -ATOM 2094 HZ3 TRP A 218 -5.498 -15.030 -10.552 1.00 15.00 A H -ATOM 2095 CH2 TRP A 218 -5.727 -12.928 -10.902 1.00 15.00 A C -ATOM 2096 HH2 TRP A 218 -5.685 -12.699 -9.847 1.00 15.00 A H -ATOM 2097 C TRP A 218 -4.474 -14.206 -17.946 1.00 15.00 A C -ATOM 2098 O TRP A 218 -4.992 -14.611 -18.987 1.00 15.00 A O -ATOM 2099 N SER A 219 -3.836 -13.045 -17.870 1.00 15.00 A N -ATOM 2100 HN SER A 219 -3.450 -12.762 -17.013 1.00 15.00 A H -ATOM 2101 CA SER A 219 -3.710 -12.173 -19.039 1.00 15.00 A C -ATOM 2102 HA SER A 219 -4.391 -12.541 -19.793 1.00 15.00 A H -ATOM 2103 CB SER A 219 -4.113 -10.746 -18.679 1.00 15.00 A C -ATOM 2104 HB1 SER A 219 -4.007 -10.108 -19.544 1.00 15.00 A H -ATOM 2105 HB2 SER A 219 -3.481 -10.383 -17.881 1.00 15.00 A H -ATOM 2106 OG SER A 219 -5.463 -10.708 -18.245 1.00 15.00 A O -ATOM 2107 HG SER A 219 -5.716 -9.803 -18.056 1.00 15.00 A H -ATOM 2108 C SER A 219 -2.292 -12.210 -19.610 1.00 15.00 A C -ATOM 2109 O SER A 219 -1.992 -11.538 -20.601 1.00 15.00 A O -ATOM 2110 N GLN A 220 -1.432 -13.007 -18.968 1.00 15.00 A N -ATOM 2111 HN GLN A 220 -1.748 -13.491 -18.175 1.00 15.00 A H -ATOM 2112 CA GLN A 220 -0.033 -13.191 -19.386 1.00 15.00 A C -ATOM 2113 HA GLN A 220 0.423 -13.863 -18.675 1.00 15.00 A H -ATOM 2114 CB GLN A 220 0.064 -13.836 -20.786 1.00 15.00 A C -ATOM 2115 HB1 GLN A 220 1.096 -13.785 -21.113 1.00 15.00 A H -ATOM 2116 HB2 GLN A 220 -0.546 -13.274 -21.476 1.00 15.00 A H -ATOM 2117 CG GLN A 220 -0.372 -15.292 -20.846 1.00 15.00 A C -ATOM 2118 HG1 GLN A 220 0.035 -15.812 -19.992 1.00 15.00 A H -ATOM 2119 HG2 GLN A 220 0.019 -15.736 -21.750 1.00 15.00 A H -ATOM 2120 CD GLN A 220 -1.875 -15.463 -20.840 1.00 15.00 A C -ATOM 2121 OE1 GLN A 220 -2.580 -14.930 -21.698 1.00 15.00 A O -ATOM 2122 NE2 GLN A 220 -2.365 -16.206 -19.863 1.00 15.00 A N -ATOM 2123 HE21 GLN A 220 -1.737 -16.592 -19.219 1.00 15.00 A H -ATOM 2124 HE22 GLN A 220 -3.335 -16.337 -19.823 1.00 15.00 A H -ATOM 2125 C GLN A 220 0.767 -11.884 -19.392 1.00 15.00 A C -ATOM 2126 O GLN A 220 1.708 -11.751 -20.168 1.00 15.00 A O -ATOM 2127 N ASN A 221 0.419 -10.919 -18.539 1.00 15.00 A N -ATOM 2128 HN ASN A 221 -0.338 -11.047 -17.927 1.00 15.00 A H -ATOM 2129 CA ASN A 221 1.170 -9.665 -18.517 1.00 15.00 A C -ATOM 2130 HA ASN A 221 2.163 -9.890 -18.875 1.00 15.00 A H -ATOM 2131 CB ASN A 221 0.551 -8.628 -19.456 1.00 15.00 A C -ATOM 2132 HB1 ASN A 221 -0.287 -8.162 -18.963 1.00 15.00 A H -ATOM 2133 HB2 ASN A 221 0.215 -9.119 -20.358 1.00 15.00 A H -ATOM 2134 CG ASN A 221 1.549 -7.546 -19.837 1.00 15.00 A C -ATOM 2135 OD1 ASN A 221 2.757 -7.777 -19.855 1.00 15.00 A O -ATOM 2136 ND2 ASN A 221 1.047 -6.358 -20.146 1.00 15.00 A N -ATOM 2137 HD21 ASN A 221 0.075 -6.243 -20.115 1.00 15.00 A H -ATOM 2138 HD22 ASN A 221 1.671 -5.640 -20.383 1.00 15.00 A H -ATOM 2139 C ASN A 221 1.302 -9.085 -17.110 1.00 15.00 A C -ATOM 2140 O ASN A 221 0.564 -8.176 -16.722 1.00 15.00 A O ATOM 2141 N ILE A 222 2.275 -9.621 -16.374 1.00 15.00 A N ATOM 2142 HN ILE A 222 2.807 -10.341 -16.770 1.00 15.00 A H ATOM 2143 CA ILE A 222 2.599 -9.200 -15.010 1.00 15.00 A C @@ -2198,25 +168,6 @@ ATOM 2156 HD12 ILE A 222 5.829 -6.411 -16.851 1.00 15.00 A H ATOM 2157 HD13 ILE A 222 5.774 -6.365 -15.087 1.00 15.00 A H ATOM 2158 C ILE A 222 1.397 -9.265 -14.063 1.00 15.00 A C ATOM 2159 O ILE A 222 0.560 -8.360 -14.012 1.00 15.00 A O -ATOM 2160 N LEU A 223 1.334 -10.372 -13.331 1.00 15.00 A N -ATOM 2161 HN LEU A 223 2.021 -11.057 -13.466 1.00 15.00 A H -ATOM 2162 CA LEU A 223 0.287 -10.625 -12.343 1.00 15.00 A C -ATOM 2163 HA LEU A 223 -0.647 -10.249 -12.730 1.00 15.00 A H -ATOM 2164 CB LEU A 223 0.189 -12.140 -12.129 1.00 15.00 A C -ATOM 2165 HB1 LEU A 223 1.156 -12.491 -11.796 1.00 15.00 A H -ATOM 2166 HB2 LEU A 223 -0.022 -12.594 -13.086 1.00 15.00 A H -ATOM 2167 CG LEU A 223 -0.861 -12.628 -11.133 1.00 15.00 A C -ATOM 2168 HG LEU A 223 -0.705 -12.142 -10.182 1.00 15.00 A H -ATOM 2169 CD1 LEU A 223 -2.261 -12.285 -11.617 1.00 15.00 A C -ATOM 2170 HD11 LEU A 223 -2.414 -12.693 -12.605 1.00 15.00 A H -ATOM 2171 HD12 LEU A 223 -2.378 -11.212 -11.649 1.00 15.00 A H -ATOM 2172 HD13 LEU A 223 -2.988 -12.705 -10.938 1.00 15.00 A H -ATOM 2173 CD2 LEU A 223 -0.714 -14.131 -10.926 1.00 15.00 A C -ATOM 2174 HD21 LEU A 223 -0.561 -14.613 -11.881 1.00 15.00 A H -ATOM 2175 HD22 LEU A 223 -1.609 -14.522 -10.465 1.00 15.00 A H -ATOM 2176 HD23 LEU A 223 0.133 -14.324 -10.286 1.00 15.00 A H -ATOM 2177 C LEU A 223 0.634 -9.893 -11.040 1.00 15.00 A C -ATOM 2178 O LEU A 223 1.516 -10.317 -10.300 1.00 15.00 A O ATOM 2179 N ARG A 224 -0.069 -8.803 -10.757 1.00 15.00 A N ATOM 2180 HN ARG A 224 -0.807 -8.536 -11.347 1.00 15.00 A H ATOM 2181 CA ARG A 224 0.238 -7.989 -9.577 1.00 15.00 A C @@ -2241,37 +192,6 @@ ATOM 2199 HH21 ARG A 224 -0.940 -4.118 -16.374 1.00 15.00 A H ATOM 2200 HH22 ARG A 224 0.686 -4.812 -16.033 1.00 15.00 A H ATOM 2201 C ARG A 224 -0.838 -8.057 -8.492 1.00 15.00 A C ATOM 2202 O ARG A 224 -1.862 -8.718 -8.658 1.00 15.00 A O -ATOM 2203 N THR A 225 -0.573 -7.357 -7.374 1.00 15.00 A N -ATOM 2204 HN THR A 225 0.272 -6.868 -7.314 1.00 15.00 A H -ATOM 2205 CA THR A 225 -1.501 -7.312 -6.243 1.00 15.00 A C -ATOM 2206 HA THR A 225 -2.496 -7.209 -6.649 1.00 15.00 A H -ATOM 2207 CB THR A 225 -1.457 -8.633 -5.433 1.00 15.00 A C -ATOM 2208 HB THR A 225 -1.515 -9.456 -6.129 1.00 15.00 A H -ATOM 2209 OG1 THR A 225 -2.572 -8.713 -4.535 1.00 15.00 A O -ATOM 2210 HG1 THR A 225 -3.331 -8.278 -4.928 1.00 15.00 A H -ATOM 2211 CG2 THR A 225 -0.162 -8.771 -4.643 1.00 15.00 A C -ATOM 2212 HG21 THR A 225 0.669 -8.462 -5.257 1.00 15.00 A H -ATOM 2213 HG22 THR A 225 -0.031 -9.804 -4.355 1.00 15.00 A H -ATOM 2214 HG23 THR A 225 -0.211 -8.154 -3.757 1.00 15.00 A H -ATOM 2215 C THR A 225 -1.242 -6.104 -5.317 1.00 15.00 A C -ATOM 2216 O THR A 225 -0.373 -5.271 -5.581 1.00 15.00 A O -ATOM 2217 N GLN A 226 -2.041 -6.057 -4.250 1.00 15.00 A N -ATOM 2218 HN GLN A 226 -2.685 -6.782 -4.152 1.00 15.00 A H -ATOM 2219 CA GLN A 226 -2.056 -5.016 -3.207 1.00 15.00 A C -ATOM 2220 HA GLN A 226 -2.801 -4.288 -3.492 1.00 15.00 A H -ATOM 2221 CB GLN A 226 -2.513 -5.648 -1.881 1.00 15.00 A C -ATOM 2222 HB1 GLN A 226 -1.803 -5.400 -1.106 1.00 15.00 A H -ATOM 2223 HB2 GLN A 226 -2.541 -6.721 -1.997 1.00 15.00 A H -ATOM 2224 CG GLN A 226 -3.884 -5.186 -1.428 1.00 15.00 A C -ATOM 2225 HG1 GLN A 226 -4.007 -4.147 -1.709 1.00 15.00 A H -ATOM 2226 HG2 GLN A 226 -3.946 -5.276 -0.356 1.00 15.00 A H -ATOM 2227 CD GLN A 226 -5.004 -5.987 -2.045 1.00 15.00 A C -ATOM 2228 OE1 GLN A 226 -5.656 -6.789 -1.375 1.00 15.00 A O -ATOM 2229 NE2 GLN A 226 -5.187 -5.816 -3.341 1.00 15.00 A N -ATOM 2230 HE21 GLN A 226 -4.581 -5.212 -3.815 1.00 15.00 A H -ATOM 2231 HE22 GLN A 226 -5.937 -6.263 -3.764 1.00 15.00 A H -ATOM 2232 C GLN A 226 -0.747 -4.271 -2.945 1.00 15.00 A C -ATOM 2233 O GLN A 226 -0.675 -3.062 -3.180 1.00 15.00 A O ATOM 2234 N GLU A 227 0.256 -4.999 -2.431 1.00 15.00 A N ATOM 2235 HN GLU A 227 0.126 -5.964 -2.328 1.00 15.00 A H ATOM 2236 CA GLU A 227 1.541 -4.423 -2.005 1.00 15.00 A C @@ -2287,692 +207,6 @@ ATOM 2245 OE1 GLU A 227 2.798 -6.049 -4.022 1.00 15.00 A O ATOM 2246 OE2 GLU A 227 4.201 -4.844 -5.205 1.00 15.00 A O ATOM 2247 C GLU A 227 1.329 -3.895 -0.588 1.00 15.00 A C ATOM 2248 O GLU A 227 2.115 -3.106 -0.061 1.00 15.00 A O -ATOM 2249 N SER A 228 0.218 -4.368 0.003 1.00 15.00 A N -ATOM 2250 HN SER A 228 -0.342 -4.992 -0.502 1.00 15.00 A H -ATOM 2251 CA SER A 228 -0.209 -4.002 1.354 1.00 15.00 A C -ATOM 2252 HA SER A 228 0.668 -3.771 1.936 1.00 15.00 A H -ATOM 2253 CB SER A 228 -1.123 -2.778 1.306 1.00 15.00 A C -ATOM 2254 HB1 SER A 228 -0.695 -2.043 0.647 1.00 15.00 A H -ATOM 2255 HB2 SER A 228 -1.217 -2.362 2.298 1.00 15.00 A H -ATOM 2256 OG SER A 228 -2.411 -3.126 0.829 1.00 15.00 A O -ATOM 2257 HG SER A 228 -2.633 -2.581 0.075 1.00 15.00 A H -ATOM 2258 C SER A 228 -0.971 -5.150 2.029 1.00 15.00 A C -ATOM 2259 O SER A 228 -0.964 -6.288 1.555 1.00 15.00 A O -ATOM 2260 N GLU A 229 -1.649 -4.812 3.126 1.00 15.00 A N -ATOM 2261 HN GLU A 229 -1.614 -3.882 3.428 1.00 15.00 A H -ATOM 2262 CA GLU A 229 -2.431 -5.764 3.911 1.00 15.00 A C -ATOM 2263 HA GLU A 229 -1.861 -6.674 4.006 1.00 15.00 A H -ATOM 2264 CB GLU A 229 -2.669 -5.182 5.314 1.00 15.00 A C -ATOM 2265 HB1 GLU A 229 -2.799 -4.112 5.229 1.00 15.00 A H -ATOM 2266 HB2 GLU A 229 -1.807 -5.380 5.928 1.00 15.00 A H -ATOM 2267 CG GLU A 229 -3.895 -5.752 6.016 1.00 15.00 A C -ATOM 2268 HG1 GLU A 229 -3.703 -6.784 6.269 1.00 15.00 A H -ATOM 2269 HG2 GLU A 229 -4.732 -5.707 5.336 1.00 15.00 A H -ATOM 2270 CD GLU A 229 -4.274 -5.007 7.281 1.00 15.00 A C -ATOM 2271 OE1 GLU A 229 -4.941 -3.955 7.175 1.00 15.00 A O -ATOM 2272 OE2 GLU A 229 -3.921 -5.484 8.380 1.00 15.00 A O -ATOM 2273 C GLU A 229 -3.793 -6.085 3.290 1.00 15.00 A C -ATOM 2274 O GLU A 229 -4.552 -5.184 2.925 1.00 15.00 A O -ATOM 2275 N CYS A 230 -4.086 -7.379 3.173 1.00 15.00 A N -ATOM 2276 HN CYS A 230 -3.403 -8.045 3.404 1.00 15.00 A H -ATOM 2277 CA CYS A 230 -5.386 -7.836 2.696 1.00 15.00 A C -ATOM 2278 HA CYS A 230 -5.759 -7.121 1.978 1.00 15.00 A H -ATOM 2279 HB1 CYS A 230 -5.130 -9.100 0.984 1.00 15.00 A H -ATOM 2280 HB2 CYS A 230 -6.191 -9.756 2.225 1.00 15.00 A H -ATOM 2281 C CYS A 230 -6.313 -7.883 3.911 1.00 15.00 A C -ATOM 2282 O CYS A 230 -5.855 -7.653 5.025 1.00 15.00 A O -ATOM 2283 CB CYS A 230 -5.275 -9.217 2.048 1.00 15.00 A C -ATOM 2284 SG CYS A 230 -3.907 -10.237 2.683 1.00 15.00 A S -ATOM 2285 N VAL A 231 -7.593 -8.189 3.750 1.00 15.00 A N -ATOM 2286 HN VAL A 231 -7.947 -8.407 2.860 1.00 15.00 A H -ATOM 2287 CA VAL A 231 -8.465 -8.212 4.929 1.00 15.00 A C -ATOM 2288 HA VAL A 231 -7.804 -8.305 5.783 1.00 15.00 A H -ATOM 2289 CB VAL A 231 -9.248 -6.877 5.100 1.00 15.00 A C -ATOM 2290 HB VAL A 231 -8.910 -6.420 6.019 1.00 15.00 A H -ATOM 2291 CG1 VAL A 231 -8.931 -5.908 3.969 1.00 15.00 A C -ATOM 2292 HG11 VAL A 231 -7.859 -5.810 3.872 1.00 15.00 A H -ATOM 2293 HG12 VAL A 231 -9.360 -4.943 4.191 1.00 15.00 A H -ATOM 2294 HG13 VAL A 231 -9.344 -6.282 3.044 1.00 15.00 A H -ATOM 2295 CG2 VAL A 231 -10.752 -7.093 5.219 1.00 15.00 A C -ATOM 2296 HG21 VAL A 231 -11.108 -7.644 4.360 1.00 15.00 A H -ATOM 2297 HG22 VAL A 231 -11.248 -6.135 5.261 1.00 15.00 A H -ATOM 2298 HG23 VAL A 231 -10.966 -7.649 6.120 1.00 15.00 A H -ATOM 2299 C VAL A 231 -9.389 -9.429 4.955 1.00 15.00 A C -ATOM 2300 O VAL A 231 -9.969 -9.820 3.941 1.00 15.00 A O -ATOM 2301 N CYS A 232 -9.511 -10.024 6.147 1.00 15.00 A N -ATOM 2302 HN CYS A 232 -9.030 -9.647 6.914 1.00 15.00 A H -ATOM 2303 CA CYS A 232 -10.333 -11.220 6.342 1.00 15.00 A C -ATOM 2304 HA CYS A 232 -10.717 -11.520 5.384 1.00 15.00 A H -ATOM 2305 HB1 CYS A 232 -10.006 -13.285 6.778 1.00 15.00 A H -ATOM 2306 HB2 CYS A 232 -9.353 -12.178 7.976 1.00 15.00 A H -ATOM 2307 C CYS A 232 -11.500 -10.983 7.299 1.00 15.00 A C -ATOM 2308 O CYS A 232 -11.342 -10.345 8.339 1.00 15.00 A O -ATOM 2309 CB CYS A 232 -9.485 -12.352 6.918 1.00 15.00 A C -ATOM 2310 SG CYS A 232 -7.827 -12.521 6.181 1.00 15.00 A S -ATOM 2311 N ILE A 233 -12.667 -11.530 6.952 1.00 15.00 A N -ATOM 2312 HN ILE A 233 -12.731 -12.014 6.103 1.00 15.00 A H -ATOM 2313 CA ILE A 233 -13.856 -11.418 7.798 1.00 15.00 A C -ATOM 2314 HA ILE A 233 -13.537 -11.083 8.774 1.00 15.00 A H -ATOM 2315 CB ILE A 233 -14.891 -10.405 7.250 1.00 15.00 A C -ATOM 2316 HB ILE A 233 -15.276 -10.790 6.317 1.00 15.00 A H -ATOM 2317 CG1 ILE A 233 -14.252 -9.031 6.997 1.00 15.00 A C -ATOM 2318 HG11 ILE A 233 -13.531 -9.119 6.198 1.00 15.00 A H -ATOM 2319 HG12 ILE A 233 -13.752 -8.700 7.894 1.00 15.00 A H -ATOM 2320 CG2 ILE A 233 -16.064 -10.277 8.218 1.00 15.00 A C -ATOM 2321 HG21 ILE A 233 -15.787 -9.633 9.040 1.00 15.00 A H -ATOM 2322 HG22 ILE A 233 -16.322 -11.254 8.601 1.00 15.00 A H -ATOM 2323 HG23 ILE A 233 -16.915 -9.858 7.703 1.00 15.00 A H -ATOM 2324 CD1 ILE A 233 -15.252 -7.961 6.602 1.00 15.00 A C -ATOM 2325 HD11 ILE A 233 -15.759 -7.601 7.485 1.00 15.00 A H -ATOM 2326 HD12 ILE A 233 -15.976 -8.381 5.920 1.00 15.00 A H -ATOM 2327 HD13 ILE A 233 -14.737 -7.143 6.124 1.00 15.00 A H -ATOM 2328 C ILE A 233 -14.543 -12.778 7.946 1.00 15.00 A C -ATOM 2329 O ILE A 233 -14.997 -13.359 6.955 1.00 15.00 A O -ATOM 2330 N ASN A 234 -14.596 -13.276 9.188 1.00 15.00 A N -ATOM 2331 HN ASN A 234 -14.184 -12.765 9.916 1.00 15.00 A H -ATOM 2332 CA ASN A 234 -15.243 -14.555 9.509 1.00 15.00 A C -ATOM 2333 HA ASN A 234 -15.248 -14.645 10.587 1.00 15.00 A H -ATOM 2334 CB ASN A 234 -16.700 -14.560 9.026 1.00 15.00 A C -ATOM 2335 HB1 ASN A 234 -17.077 -15.571 9.036 1.00 15.00 A H -ATOM 2336 HB2 ASN A 234 -16.739 -14.175 8.017 1.00 15.00 A H -ATOM 2337 CG ASN A 234 -17.598 -13.701 9.896 1.00 15.00 A C -ATOM 2338 OD1 ASN A 234 -17.299 -12.540 10.168 1.00 15.00 A O -ATOM 2339 ND2 ASN A 234 -18.702 -14.278 10.350 1.00 15.00 A N -ATOM 2340 HD21 ASN A 234 -18.871 -15.209 10.102 1.00 15.00 A H -ATOM 2341 HD22 ASN A 234 -19.299 -13.749 10.918 1.00 15.00 A H -ATOM 2342 C ASN A 234 -14.482 -15.757 8.943 1.00 15.00 A C -ATOM 2343 O ASN A 234 -15.011 -16.868 8.895 1.00 15.00 A O -ATOM 2344 N GLY A 235 -13.239 -15.536 8.526 1.00 15.00 A N -ATOM 2345 HN GLY A 235 -12.866 -14.631 8.576 1.00 15.00 A H -ATOM 2346 CA GLY A 235 -12.436 -16.625 7.996 1.00 15.00 A C -ATOM 2347 HA1 GLY A 235 -12.959 -17.554 8.169 1.00 15.00 A H -ATOM 2348 HA2 GLY A 235 -11.498 -16.652 8.532 1.00 15.00 A H -ATOM 2349 C GLY A 235 -12.141 -16.500 6.512 1.00 15.00 A C -ATOM 2350 O GLY A 235 -11.262 -17.192 5.995 1.00 15.00 A O -ATOM 2351 N THR A 236 -12.869 -15.628 5.821 1.00 15.00 A N -ATOM 2352 HN THR A 236 -13.560 -15.107 6.281 1.00 15.00 A H -ATOM 2353 CA THR A 236 -12.661 -15.432 4.389 1.00 15.00 A C -ATOM 2354 HA THR A 236 -12.157 -16.307 4.002 1.00 15.00 A H -ATOM 2355 CB THR A 236 -13.994 -15.270 3.630 1.00 15.00 A C -ATOM 2356 HB THR A 236 -14.401 -14.296 3.852 1.00 15.00 A H -ATOM 2357 OG1 THR A 236 -14.934 -16.275 4.035 1.00 15.00 A O -ATOM 2358 HG1 THR A 236 -14.536 -16.836 4.703 1.00 15.00 A H -ATOM 2359 CG2 THR A 236 -13.761 -15.365 2.129 1.00 15.00 A C -ATOM 2360 HG21 THR A 236 -14.671 -15.119 1.605 1.00 15.00 A H -ATOM 2361 HG22 THR A 236 -13.458 -16.371 1.876 1.00 15.00 A H -ATOM 2362 HG23 THR A 236 -12.981 -14.674 1.844 1.00 15.00 A H -ATOM 2363 C THR A 236 -11.800 -14.200 4.115 1.00 15.00 A C -ATOM 2364 O THR A 236 -12.189 -13.081 4.440 1.00 15.00 A O -ATOM 2365 N CYS A 237 -10.629 -14.419 3.521 1.00 15.00 A N -ATOM 2366 HN CYS A 237 -10.371 -15.339 3.306 1.00 15.00 A H -ATOM 2367 CA CYS A 237 -9.717 -13.329 3.182 1.00 15.00 A C -ATOM 2368 HA CYS A 237 -9.956 -12.480 3.800 1.00 15.00 A H -ATOM 2369 HB1 CYS A 237 -7.614 -12.917 3.213 1.00 15.00 A H -ATOM 2370 HB2 CYS A 237 -8.025 -14.577 2.795 1.00 15.00 A H -ATOM 2371 C CYS A 237 -9.885 -12.939 1.714 1.00 15.00 A C -ATOM 2372 O CYS A 237 -9.978 -13.810 0.849 1.00 15.00 A O -ATOM 2373 CB CYS A 237 -8.268 -13.747 3.438 1.00 15.00 A C -ATOM 2374 SG CYS A 237 -7.929 -14.269 5.150 1.00 15.00 A S -ATOM 2375 N THR A 238 -9.914 -11.639 1.432 1.00 15.00 A N -ATOM 2376 HN THR A 238 -9.801 -10.989 2.155 1.00 15.00 A H -ATOM 2377 CA THR A 238 -10.076 -11.165 0.058 1.00 15.00 A C -ATOM 2378 HA THR A 238 -10.095 -12.037 -0.582 1.00 15.00 A H -ATOM 2379 CB THR A 238 -11.399 -10.396 -0.151 1.00 15.00 A C -ATOM 2380 HB THR A 238 -12.221 -11.047 0.099 1.00 15.00 A H -ATOM 2381 OG1 THR A 238 -11.521 -9.994 -1.520 1.00 15.00 A O -ATOM 2382 HG1 THR A 238 -11.944 -10.691 -2.025 1.00 15.00 A H -ATOM 2383 CG2 THR A 238 -11.466 -9.163 0.733 1.00 15.00 A C -ATOM 2384 HG21 THR A 238 -12.417 -8.671 0.592 1.00 15.00 A H -ATOM 2385 HG22 THR A 238 -10.668 -8.489 0.458 1.00 15.00 A H -ATOM 2386 HG23 THR A 238 -11.355 -9.449 1.767 1.00 15.00 A H -ATOM 2387 C THR A 238 -8.917 -10.280 -0.385 1.00 15.00 A C -ATOM 2388 O THR A 238 -8.484 -9.372 0.332 1.00 15.00 A O -ATOM 2389 N VAL A 239 -8.419 -10.578 -1.577 1.00 15.00 A N -ATOM 2390 HN VAL A 239 -8.789 -11.343 -2.060 1.00 15.00 A H -ATOM 2391 CA VAL A 239 -7.325 -9.836 -2.182 1.00 15.00 A C -ATOM 2392 HA VAL A 239 -7.170 -8.928 -1.622 1.00 15.00 A H -ATOM 2393 CB VAL A 239 -6.028 -10.671 -2.151 1.00 15.00 A C -ATOM 2394 HB VAL A 239 -5.934 -11.092 -1.161 1.00 15.00 A H -ATOM 2395 CG1 VAL A 239 -6.110 -11.839 -3.137 1.00 15.00 A C -ATOM 2396 HG11 VAL A 239 -6.498 -11.487 -4.084 1.00 15.00 A H -ATOM 2397 HG12 VAL A 239 -6.770 -12.595 -2.740 1.00 15.00 A H -ATOM 2398 HG13 VAL A 239 -5.128 -12.259 -3.285 1.00 15.00 A H -ATOM 2399 CG2 VAL A 239 -4.801 -9.802 -2.411 1.00 15.00 A C -ATOM 2400 HG21 VAL A 239 -4.787 -8.980 -1.712 1.00 15.00 A H -ATOM 2401 HG22 VAL A 239 -4.831 -9.416 -3.422 1.00 15.00 A H -ATOM 2402 HG23 VAL A 239 -3.909 -10.396 -2.282 1.00 15.00 A H -ATOM 2403 C VAL A 239 -7.662 -9.484 -3.625 1.00 15.00 A C -ATOM 2404 O VAL A 239 -8.382 -10.218 -4.299 1.00 15.00 A O -ATOM 2405 N VAL A 240 -7.174 -8.347 -4.088 1.00 15.00 A N -ATOM 2406 HN VAL A 240 -6.651 -7.767 -3.494 1.00 15.00 A H -ATOM 2407 CA VAL A 240 -7.426 -7.942 -5.456 1.00 15.00 A C -ATOM 2408 HA VAL A 240 -8.091 -8.683 -5.875 1.00 15.00 A H -ATOM 2409 CB VAL A 240 -8.142 -6.563 -5.548 1.00 15.00 A C -ATOM 2410 HB VAL A 240 -8.857 -6.624 -6.354 1.00 15.00 A H -ATOM 2411 CG1 VAL A 240 -8.917 -6.260 -4.272 1.00 15.00 A C -ATOM 2412 HG11 VAL A 240 -9.450 -7.143 -3.956 1.00 15.00 A H -ATOM 2413 HG12 VAL A 240 -9.623 -5.463 -4.460 1.00 15.00 A H -ATOM 2414 HG13 VAL A 240 -8.230 -5.956 -3.496 1.00 15.00 A H -ATOM 2415 CG2 VAL A 240 -7.183 -5.428 -5.863 1.00 15.00 A C -ATOM 2416 HG21 VAL A 240 -6.856 -5.505 -6.888 1.00 15.00 A H -ATOM 2417 HG22 VAL A 240 -6.328 -5.484 -5.206 1.00 15.00 A H -ATOM 2418 HG23 VAL A 240 -7.687 -4.485 -5.715 1.00 15.00 A H -ATOM 2419 C VAL A 240 -6.137 -7.974 -6.279 1.00 15.00 A C -ATOM 2420 O VAL A 240 -5.101 -7.423 -5.891 1.00 15.00 A O -ATOM 2421 N MET A 241 -6.205 -8.694 -7.387 1.00 15.00 A N -ATOM 2422 HN MET A 241 -7.048 -9.143 -7.605 1.00 15.00 A H -ATOM 2423 CA MET A 241 -5.077 -8.839 -8.291 1.00 15.00 A C -ATOM 2424 HA MET A 241 -4.288 -8.189 -7.946 1.00 15.00 A H -ATOM 2425 CB MET A 241 -4.567 -10.286 -8.303 1.00 15.00 A C -ATOM 2426 HB1 MET A 241 -3.761 -10.364 -9.019 1.00 15.00 A H -ATOM 2427 HB2 MET A 241 -5.371 -10.941 -8.608 1.00 15.00 A H -ATOM 2428 CG MET A 241 -4.051 -10.759 -6.955 1.00 15.00 A C -ATOM 2429 HG1 MET A 241 -4.885 -10.833 -6.273 1.00 15.00 A H -ATOM 2430 HG2 MET A 241 -3.346 -10.034 -6.580 1.00 15.00 A H -ATOM 2431 SD MET A 241 -3.236 -12.361 -7.040 1.00 15.00 A S -ATOM 2432 CE MET A 241 -4.499 -13.416 -6.336 1.00 15.00 A C -ATOM 2433 HE1 MET A 241 -4.271 -13.608 -5.298 1.00 15.00 A H -ATOM 2434 HE2 MET A 241 -4.538 -14.350 -6.877 1.00 15.00 A H -ATOM 2435 HE3 MET A 241 -5.454 -12.925 -6.407 1.00 15.00 A H -ATOM 2436 C MET A 241 -5.482 -8.418 -9.690 1.00 15.00 A C -ATOM 2437 O MET A 241 -6.652 -8.503 -10.060 1.00 15.00 A O -ATOM 2438 N THR A 242 -4.519 -7.937 -10.455 1.00 15.00 A N -ATOM 2439 HN THR A 242 -3.606 -7.879 -10.103 1.00 15.00 A H -ATOM 2440 CA THR A 242 -4.796 -7.492 -11.804 1.00 15.00 A C -ATOM 2441 HA THR A 242 -5.749 -7.905 -12.098 1.00 15.00 A H -ATOM 2442 CB THR A 242 -4.898 -5.954 -11.886 1.00 15.00 A C -ATOM 2443 HB THR A 242 -5.759 -5.698 -12.487 1.00 15.00 A H -ATOM 2444 OG1 THR A 242 -3.728 -5.410 -12.497 1.00 15.00 A O -ATOM 2445 HG1 THR A 242 -3.934 -5.136 -13.392 1.00 15.00 A H -ATOM 2446 CG2 THR A 242 -5.069 -5.332 -10.506 1.00 15.00 A C -ATOM 2447 HG21 THR A 242 -5.288 -4.279 -10.611 1.00 15.00 A H -ATOM 2448 HG22 THR A 242 -4.156 -5.454 -9.941 1.00 15.00 A H -ATOM 2449 HG23 THR A 242 -5.882 -5.820 -9.989 1.00 15.00 A H -ATOM 2450 C THR A 242 -3.734 -7.989 -12.771 1.00 15.00 A C -ATOM 2451 O THR A 242 -2.552 -8.063 -12.438 1.00 15.00 A O -ATOM 2452 N ASP A 243 -4.169 -8.320 -13.974 1.00 15.00 A N -ATOM 2453 HN ASP A 243 -5.125 -8.227 -14.176 1.00 15.00 A H -ATOM 2454 CA ASP A 243 -3.283 -8.822 -14.998 1.00 15.00 A C -ATOM 2455 HA ASP A 243 -2.273 -8.574 -14.723 1.00 15.00 A H -ATOM 2456 CB ASP A 243 -3.424 -10.339 -15.081 1.00 15.00 A C -ATOM 2457 HB1 ASP A 243 -4.210 -10.584 -15.781 1.00 15.00 A H -ATOM 2458 HB2 ASP A 243 -3.693 -10.716 -14.106 1.00 15.00 A H -ATOM 2459 CG ASP A 243 -2.161 -11.038 -15.517 1.00 15.00 A C -ATOM 2460 OD1 ASP A 243 -1.363 -10.428 -16.252 1.00 15.00 A O -ATOM 2461 OD2 ASP A 243 -1.978 -12.205 -15.124 1.00 15.00 A O -ATOM 2462 C ASP A 243 -3.612 -8.181 -16.339 1.00 15.00 A C -ATOM 2463 O ASP A 243 -4.736 -8.281 -16.827 1.00 15.00 A O -ATOM 2464 N GLY A 244 -2.630 -7.512 -16.925 1.00 15.00 A N -ATOM 2465 HN GLY A 244 -1.753 -7.459 -16.486 1.00 15.00 A H -ATOM 2466 CA GLY A 244 -2.845 -6.869 -18.203 1.00 15.00 A C -ATOM 2467 HA1 GLY A 244 -3.853 -6.484 -18.232 1.00 15.00 A H -ATOM 2468 HA2 GLY A 244 -2.731 -7.606 -18.984 1.00 15.00 A H -ATOM 2469 C GLY A 244 -1.881 -5.732 -18.463 1.00 15.00 A C -ATOM 2470 O GLY A 244 -0.711 -5.808 -18.100 1.00 15.00 A O -ATOM 2471 N SER A 245 -2.380 -4.673 -19.089 1.00 15.00 A N -ATOM 2472 HN SER A 245 -3.328 -4.672 -19.338 1.00 15.00 A H -ATOM 2473 CA SER A 245 -1.558 -3.511 -19.423 1.00 15.00 A C -ATOM 2474 HA SER A 245 -0.585 -3.866 -19.725 1.00 15.00 A H -ATOM 2475 CB SER A 245 -2.190 -2.742 -20.586 1.00 15.00 A C -ATOM 2476 HB1 SER A 245 -3.043 -2.185 -20.225 1.00 15.00 A H -ATOM 2477 HB2 SER A 245 -2.514 -3.440 -21.345 1.00 15.00 A H -ATOM 2478 OG SER A 245 -1.263 -1.837 -21.162 1.00 15.00 A O -ATOM 2479 HG SER A 245 -1.732 -1.067 -21.495 1.00 15.00 A H -ATOM 2480 C SER A 245 -1.395 -2.571 -18.233 1.00 15.00 A C -ATOM 2481 O SER A 245 -2.283 -2.465 -17.391 1.00 15.00 A O -ATOM 2482 N ALA A 246 -0.241 -1.905 -18.165 1.00 15.00 A N -ATOM 2483 HN ALA A 246 0.448 -2.073 -18.841 1.00 15.00 A H -ATOM 2484 CA ALA A 246 0.024 -0.946 -17.101 1.00 15.00 A C -ATOM 2485 HA ALA A 246 -0.349 -1.364 -16.175 1.00 15.00 A H -ATOM 2486 CB ALA A 246 1.523 -0.707 -16.951 1.00 15.00 A C -ATOM 2487 HB1 ALA A 246 1.699 -0.007 -16.146 1.00 15.00 A H -ATOM 2488 HB2 ALA A 246 1.919 -0.303 -17.871 1.00 15.00 A H -ATOM 2489 HB3 ALA A 246 2.016 -1.642 -16.727 1.00 15.00 A H -ATOM 2490 C ALA A 246 -0.730 0.354 -17.394 1.00 15.00 A C -ATOM 2491 O ALA A 246 -1.348 0.938 -16.505 1.00 15.00 A O -ATOM 2492 N SER A 247 -0.676 0.797 -18.654 1.00 15.00 A N -ATOM 2493 HN SER A 247 -0.137 0.305 -19.309 1.00 15.00 A H -ATOM 2494 CA SER A 247 -1.396 1.996 -19.086 1.00 15.00 A C -ATOM 2495 HA SER A 247 -1.985 2.342 -18.247 1.00 15.00 A H -ATOM 2496 CB SER A 247 -0.436 3.110 -19.516 1.00 15.00 A C -ATOM 2497 HB1 SER A 247 -1.011 3.954 -19.874 1.00 15.00 A H -ATOM 2498 HB2 SER A 247 0.207 2.749 -20.306 1.00 15.00 A H -ATOM 2499 OG SER A 247 0.371 3.537 -18.434 1.00 15.00 A O -ATOM 2500 HG SER A 247 0.909 2.804 -18.129 1.00 15.00 A H -ATOM 2501 C SER A 247 -2.347 1.634 -20.227 1.00 15.00 A C -ATOM 2502 O SER A 247 -2.096 1.941 -21.394 1.00 15.00 A O -ATOM 2503 N GLY A 248 -3.432 0.962 -19.861 1.00 15.00 A N -ATOM 2504 HN GLY A 248 -3.566 0.767 -18.911 1.00 15.00 A H -ATOM 2505 CA GLY A 248 -4.429 0.520 -20.821 1.00 15.00 A C -ATOM 2506 HA1 GLY A 248 -3.943 -0.037 -21.610 1.00 15.00 A H -ATOM 2507 HA2 GLY A 248 -4.925 1.383 -21.248 1.00 15.00 A H -ATOM 2508 C GLY A 248 -5.458 -0.368 -20.151 1.00 15.00 A C -ATOM 2509 O GLY A 248 -5.522 -0.408 -18.922 1.00 15.00 A O -ATOM 2510 N ARG A 249 -6.268 -1.080 -20.931 1.00 15.00 A N -ATOM 2511 HN ARG A 249 -6.202 -1.001 -21.906 1.00 15.00 A H -ATOM 2512 CA ARG A 249 -7.271 -1.961 -20.338 1.00 15.00 A C -ATOM 2513 HA ARG A 249 -7.735 -1.415 -19.534 1.00 15.00 A H -ATOM 2514 CB ARG A 249 -8.350 -2.355 -21.340 1.00 15.00 A C -ATOM 2515 HB1 ARG A 249 -7.899 -2.939 -22.129 1.00 15.00 A H -ATOM 2516 HB2 ARG A 249 -8.784 -1.460 -21.763 1.00 15.00 A H -ATOM 2517 CG ARG A 249 -9.463 -3.183 -20.709 1.00 15.00 A C -ATOM 2518 HG1 ARG A 249 -9.441 -3.045 -19.639 1.00 15.00 A H -ATOM 2519 HG2 ARG A 249 -9.295 -4.223 -20.938 1.00 15.00 A H -ATOM 2520 CD ARG A 249 -10.831 -2.780 -21.228 1.00 15.00 A C -ATOM 2521 HD1 ARG A 249 -10.923 -1.704 -21.174 1.00 15.00 A H -ATOM 2522 HD2 ARG A 249 -11.588 -3.238 -20.604 1.00 15.00 A H -ATOM 2523 NE ARG A 249 -11.028 -3.205 -22.609 1.00 15.00 A N -ATOM 2524 HE ARG A 249 -11.182 -4.157 -22.766 1.00 15.00 A H -ATOM 2525 CZ ARG A 249 -10.998 -2.383 -23.656 1.00 15.00 A C -ATOM 2526 NH1 ARG A 249 -10.794 -1.083 -23.485 1.00 15.00 A N -ATOM 2527 HH11 ARG A 249 -10.767 -0.448 -24.309 1.00 15.00 A H -ATOM 2528 HH12 ARG A 249 -10.665 -0.696 -22.529 1.00 15.00 A H -ATOM 2529 NH2 ARG A 249 -11.178 -2.861 -24.878 1.00 15.00 A N -ATOM 2530 HH21 ARG A 249 -11.160 -2.219 -25.695 1.00 15.00 A H -ATOM 2531 HH22 ARG A 249 -11.336 -3.882 -25.021 1.00 15.00 A H -ATOM 2532 C ARG A 249 -6.630 -3.210 -19.749 1.00 15.00 A C -ATOM 2533 O ARG A 249 -5.865 -3.914 -20.415 1.00 15.00 A O -ATOM 2534 N ALA A 250 -6.963 -3.480 -18.491 1.00 15.00 A N -ATOM 2535 HN ALA A 250 -7.589 -2.885 -18.029 1.00 15.00 A H -ATOM 2536 CA ALA A 250 -6.424 -4.633 -17.781 1.00 15.00 A C -ATOM 2537 HA ALA A 250 -5.865 -5.226 -18.487 1.00 15.00 A H -ATOM 2538 CB ALA A 250 -5.464 -4.164 -16.697 1.00 15.00 A C -ATOM 2539 HB1 ALA A 250 -5.131 -5.010 -16.118 1.00 15.00 A H -ATOM 2540 HB2 ALA A 250 -5.966 -3.457 -16.052 1.00 15.00 A H -ATOM 2541 HB3 ALA A 250 -4.611 -3.685 -17.159 1.00 15.00 A H -ATOM 2542 C ALA A 250 -7.531 -5.502 -17.177 1.00 15.00 A C -ATOM 2543 O ALA A 250 -8.687 -5.082 -17.076 1.00 15.00 A O -ATOM 2544 N ASP A 251 -7.154 -6.720 -16.790 1.00 15.00 A N -ATOM 2545 HN ASP A 251 -6.221 -6.988 -16.925 1.00 15.00 A H -ATOM 2546 CA ASP A 251 -8.078 -7.677 -16.181 1.00 15.00 A C -ATOM 2547 HA ASP A 251 -9.084 -7.377 -16.421 1.00 15.00 A H -ATOM 2548 CB ASP A 251 -7.818 -9.080 -16.741 1.00 15.00 A C -ATOM 2549 HB1 ASP A 251 -6.942 -9.494 -16.258 1.00 15.00 A H -ATOM 2550 HB2 ASP A 251 -7.634 -9.009 -17.802 1.00 15.00 A H -ATOM 2551 CG ASP A 251 -8.979 -10.033 -16.520 1.00 15.00 A C -ATOM 2552 OD1 ASP A 251 -9.522 -10.060 -15.396 1.00 15.00 A O -ATOM 2553 OD2 ASP A 251 -9.336 -10.761 -17.469 1.00 15.00 A O -ATOM 2554 C ASP A 251 -7.904 -7.688 -14.663 1.00 15.00 A C -ATOM 2555 O ASP A 251 -6.839 -8.025 -14.162 1.00 15.00 A O -ATOM 2556 N THR A 252 -8.950 -7.322 -13.932 1.00 15.00 A N -ATOM 2557 HN THR A 252 -9.779 -7.061 -14.379 1.00 15.00 A H -ATOM 2558 CA THR A 252 -8.881 -7.295 -12.470 1.00 15.00 A C -ATOM 2559 HA THR A 252 -7.870 -7.546 -12.186 1.00 15.00 A H -ATOM 2560 CB THR A 252 -9.191 -5.881 -11.928 1.00 15.00 A C -ATOM 2561 HB THR A 252 -10.096 -5.520 -12.397 1.00 15.00 A H -ATOM 2562 OG1 THR A 252 -8.117 -4.990 -12.254 1.00 15.00 A O -ATOM 2563 HG1 THR A 252 -7.611 -4.797 -11.461 1.00 15.00 A H -ATOM 2564 CG2 THR A 252 -9.394 -5.896 -10.419 1.00 15.00 A C -ATOM 2565 HG21 THR A 252 -10.083 -6.685 -10.158 1.00 15.00 A H -ATOM 2566 HG22 THR A 252 -9.797 -4.947 -10.099 1.00 15.00 A H -ATOM 2567 HG23 THR A 252 -8.447 -6.070 -9.931 1.00 15.00 A H -ATOM 2568 C THR A 252 -9.835 -8.313 -11.831 1.00 15.00 A C -ATOM 2569 O THR A 252 -11.025 -8.347 -12.147 1.00 15.00 A O -ATOM 2570 N ARG A 253 -9.300 -9.152 -10.936 1.00 15.00 A N -ATOM 2571 HN ARG A 253 -8.340 -9.097 -10.744 1.00 15.00 A H -ATOM 2572 CA ARG A 253 -10.109 -10.159 -10.247 1.00 15.00 A C -ATOM 2573 HA ARG A 253 -11.141 -9.984 -10.502 1.00 15.00 A H -ATOM 2574 CB ARG A 253 -9.723 -11.576 -10.678 1.00 15.00 A C -ATOM 2575 HB1 ARG A 253 -10.576 -12.223 -10.533 1.00 15.00 A H -ATOM 2576 HB2 ARG A 253 -8.915 -11.920 -10.051 1.00 15.00 A H -ATOM 2577 CG ARG A 253 -9.283 -11.691 -12.123 1.00 15.00 A C -ATOM 2578 HG1 ARG A 253 -8.461 -12.390 -12.178 1.00 15.00 A H -ATOM 2579 HG2 ARG A 253 -8.962 -10.720 -12.472 1.00 15.00 A H -ATOM 2580 CD ARG A 253 -10.415 -12.179 -13.009 1.00 15.00 A C -ATOM 2581 HD1 ARG A 253 -10.452 -11.562 -13.897 1.00 15.00 A H -ATOM 2582 HD2 ARG A 253 -11.343 -12.083 -12.466 1.00 15.00 A H -ATOM 2583 NE ARG A 253 -10.242 -13.573 -13.407 1.00 15.00 A N -ATOM 2584 HE ARG A 253 -10.542 -14.264 -12.782 1.00 15.00 A H -ATOM 2585 CZ ARG A 253 -9.691 -13.947 -14.560 1.00 15.00 A C -ATOM 2586 NH1 ARG A 253 -9.262 -13.032 -15.415 1.00 15.00 A N -ATOM 2587 HH11 ARG A 253 -8.823 -13.321 -16.311 1.00 15.00 A H -ATOM 2588 HH12 ARG A 253 -9.368 -12.022 -15.191 1.00 15.00 A H -ATOM 2589 NH2 ARG A 253 -9.590 -15.232 -14.869 1.00 15.00 A N -ATOM 2590 HH21 ARG A 253 -9.943 -15.958 -14.212 1.00 15.00 A H -ATOM 2591 HH22 ARG A 253 -9.157 -15.516 -15.772 1.00 15.00 A H -ATOM 2592 C ARG A 253 -9.952 -10.055 -8.732 1.00 15.00 A C -ATOM 2593 O ARG A 253 -8.855 -9.825 -8.227 1.00 15.00 A O -ATOM 2594 N ILE A 254 -11.057 -10.240 -8.018 1.00 15.00 A N -ATOM 2595 HN ILE A 254 -11.901 -10.404 -8.488 1.00 15.00 A H -ATOM 2596 CA ILE A 254 -11.057 -10.199 -6.559 1.00 15.00 A C -ATOM 2597 HA ILE A 254 -10.109 -9.800 -6.231 1.00 15.00 A H -ATOM 2598 CB ILE A 254 -12.195 -9.298 -6.008 1.00 15.00 A C -ATOM 2599 HB ILE A 254 -13.103 -9.542 -6.539 1.00 15.00 A H -ATOM 2600 CG1 ILE A 254 -11.879 -7.808 -6.218 1.00 15.00 A C -ATOM 2601 HG11 ILE A 254 -10.834 -7.637 -6.001 1.00 15.00 A H -ATOM 2602 HG12 ILE A 254 -12.482 -7.225 -5.538 1.00 15.00 A H -ATOM 2603 CG2 ILE A 254 -12.428 -9.577 -4.531 1.00 15.00 A C -ATOM 2604 HG21 ILE A 254 -13.419 -9.249 -4.255 1.00 15.00 A H -ATOM 2605 HG22 ILE A 254 -11.695 -9.044 -3.945 1.00 15.00 A H -ATOM 2606 HG23 ILE A 254 -12.334 -10.636 -4.346 1.00 15.00 A H -ATOM 2607 CD1 ILE A 254 -12.153 -7.306 -7.618 1.00 15.00 A C -ATOM 2608 HD11 ILE A 254 -13.176 -7.521 -7.884 1.00 15.00 A H -ATOM 2609 HD12 ILE A 254 -11.487 -7.798 -8.313 1.00 15.00 A H -ATOM 2610 HD13 ILE A 254 -11.987 -6.241 -7.657 1.00 15.00 A H -ATOM 2611 C ILE A 254 -11.217 -11.617 -6.011 1.00 15.00 A C -ATOM 2612 O ILE A 254 -12.268 -12.243 -6.174 1.00 15.00 A O -ATOM 2613 N LEU A 255 -10.174 -12.129 -5.367 1.00 15.00 A N -ATOM 2614 HN LEU A 255 -9.359 -11.592 -5.257 1.00 15.00 A H -ATOM 2615 CA LEU A 255 -10.215 -13.484 -4.834 1.00 15.00 A C -ATOM 2616 HA LEU A 255 -10.878 -14.060 -5.453 1.00 15.00 A H -ATOM 2617 CB LEU A 255 -8.835 -14.165 -4.851 1.00 15.00 A C -ATOM 2618 HB1 LEU A 255 -8.976 -15.199 -4.571 1.00 15.00 A H -ATOM 2619 HB2 LEU A 255 -8.228 -13.696 -4.092 1.00 15.00 A H -ATOM 2620 CG LEU A 255 -8.042 -14.140 -6.165 1.00 15.00 A C -ATOM 2621 HG LEU A 255 -7.312 -13.348 -6.112 1.00 15.00 A H -ATOM 2622 CD1 LEU A 255 -7.287 -15.448 -6.341 1.00 15.00 A C -ATOM 2623 HD11 LEU A 255 -7.985 -16.271 -6.336 1.00 15.00 A H -ATOM 2624 HD12 LEU A 255 -6.581 -15.570 -5.532 1.00 15.00 A H -ATOM 2625 HD13 LEU A 255 -6.756 -15.433 -7.281 1.00 15.00 A H -ATOM 2626 CD2 LEU A 255 -8.935 -13.879 -7.369 1.00 15.00 A C -ATOM 2627 HD21 LEU A 255 -9.562 -13.022 -7.169 1.00 15.00 A H -ATOM 2628 HD22 LEU A 255 -9.553 -14.741 -7.552 1.00 15.00 A H -ATOM 2629 HD23 LEU A 255 -8.322 -13.682 -8.233 1.00 15.00 A H -ATOM 2630 C LEU A 255 -10.723 -13.539 -3.409 1.00 15.00 A C -ATOM 2631 O LEU A 255 -10.456 -12.663 -2.588 1.00 15.00 A O -ATOM 2632 N PHE A 256 -11.453 -14.604 -3.149 1.00 15.00 A N -ATOM 2633 HN PHE A 256 -11.662 -15.216 -3.885 1.00 15.00 A H -ATOM 2634 CA PHE A 256 -11.960 -14.919 -1.829 1.00 15.00 A C -ATOM 2635 HA PHE A 256 -11.623 -14.154 -1.144 1.00 15.00 A H -ATOM 2636 CB PHE A 256 -13.485 -15.032 -1.807 1.00 15.00 A C -ATOM 2637 HB1 PHE A 256 -13.795 -15.385 -0.841 1.00 15.00 A H -ATOM 2638 HB2 PHE A 256 -13.800 -15.741 -2.550 1.00 15.00 A H -ATOM 2639 CG PHE A 256 -14.188 -13.731 -2.077 1.00 15.00 A C -ATOM 2640 CD1 PHE A 256 -14.418 -13.315 -3.383 1.00 15.00 A C -ATOM 2641 HD1 PHE A 256 -14.094 -13.935 -4.202 1.00 15.00 A H -ATOM 2642 CD2 PHE A 256 -14.616 -12.924 -1.031 1.00 15.00 A C -ATOM 2643 HD2 PHE A 256 -14.442 -13.238 -0.017 1.00 15.00 A H -ATOM 2644 CE1 PHE A 256 -15.066 -12.123 -3.634 1.00 15.00 A C -ATOM 2645 HE1 PHE A 256 -15.237 -11.809 -4.654 1.00 15.00 A H -ATOM 2646 CE2 PHE A 256 -15.266 -11.732 -1.284 1.00 15.00 A C -ATOM 2647 HE2 PHE A 256 -15.612 -11.121 -0.464 1.00 15.00 A H -ATOM 2648 CZ PHE A 256 -15.494 -11.330 -2.589 1.00 15.00 A C -ATOM 2649 HZ PHE A 256 -16.007 -10.402 -2.787 1.00 15.00 A H -ATOM 2650 C PHE A 256 -11.308 -16.235 -1.468 1.00 15.00 A C -ATOM 2651 O PHE A 256 -11.487 -17.223 -2.171 1.00 15.00 A O -ATOM 2652 N ILE A 257 -10.512 -16.240 -0.419 1.00 15.00 A N -ATOM 2653 HN ILE A 257 -10.415 -15.425 0.120 1.00 15.00 A H -ATOM 2654 CA ILE A 257 -9.783 -17.442 -0.054 1.00 15.00 A C -ATOM 2655 HA ILE A 257 -10.212 -18.255 -0.623 1.00 15.00 A H -ATOM 2656 CB ILE A 257 -8.290 -17.305 -0.490 1.00 15.00 A C -ATOM 2657 HB ILE A 257 -8.121 -18.005 -1.297 1.00 15.00 A H -ATOM 2658 CG1 ILE A 257 -7.322 -17.620 0.644 1.00 15.00 A C -ATOM 2659 HG11 ILE A 257 -7.526 -18.609 1.025 1.00 15.00 A H -ATOM 2660 HG12 ILE A 257 -7.453 -16.894 1.433 1.00 15.00 A H -ATOM 2661 CG2 ILE A 257 -8.009 -15.906 -1.029 1.00 15.00 A C -ATOM 2662 HG21 ILE A 257 -7.810 -15.234 -0.208 1.00 15.00 A H -ATOM 2663 HG22 ILE A 257 -8.868 -15.553 -1.581 1.00 15.00 A H -ATOM 2664 HG23 ILE A 257 -7.150 -15.937 -1.684 1.00 15.00 A H -ATOM 2665 CD1 ILE A 257 -5.871 -17.573 0.222 1.00 15.00 A C -ATOM 2666 HD11 ILE A 257 -5.742 -18.138 -0.685 1.00 15.00 A H -ATOM 2667 HD12 ILE A 257 -5.259 -17.996 1.001 1.00 15.00 A H -ATOM 2668 HD13 ILE A 257 -5.578 -16.547 0.054 1.00 15.00 A H -ATOM 2669 C ILE A 257 -9.920 -17.777 1.435 1.00 15.00 A C -ATOM 2670 O ILE A 257 -9.759 -16.919 2.302 1.00 15.00 A O -ATOM 2671 N GLU A 258 -10.241 -19.044 1.706 1.00 15.00 A N -ATOM 2672 HN GLU A 258 -10.362 -19.669 0.960 1.00 15.00 A H -ATOM 2673 CA GLU A 258 -10.426 -19.532 3.071 1.00 15.00 A C -ATOM 2674 HA GLU A 258 -10.354 -18.687 3.738 1.00 15.00 A H -ATOM 2675 CB GLU A 258 -11.817 -20.163 3.215 1.00 15.00 A C -ATOM 2676 HB1 GLU A 258 -11.920 -20.546 4.221 1.00 15.00 A H -ATOM 2677 HB2 GLU A 258 -11.898 -20.983 2.519 1.00 15.00 A H -ATOM 2678 CG GLU A 258 -12.977 -19.211 2.952 1.00 15.00 A C -ATOM 2679 HG1 GLU A 258 -12.795 -18.689 2.024 1.00 15.00 A H -ATOM 2680 HG2 GLU A 258 -13.034 -18.497 3.762 1.00 15.00 A H -ATOM 2681 CD GLU A 258 -14.310 -19.934 2.849 1.00 15.00 A C -ATOM 2682 OE1 GLU A 258 -14.390 -21.096 3.301 1.00 15.00 A O -ATOM 2683 OE2 GLU A 258 -15.271 -19.341 2.313 1.00 15.00 A O -ATOM 2684 C GLU A 258 -9.354 -20.561 3.447 1.00 15.00 A C -ATOM 2685 O GLU A 258 -9.300 -21.648 2.866 1.00 15.00 A O -ATOM 2686 N GLU A 259 -8.514 -20.206 4.426 1.00 15.00 A N -ATOM 2687 HN GLU A 259 -8.622 -19.323 4.839 1.00 15.00 A H -ATOM 2688 CA GLU A 259 -7.438 -21.080 4.912 1.00 15.00 A C -ATOM 2689 HA GLU A 259 -6.937 -20.555 5.712 1.00 15.00 A H -ATOM 2690 CB GLU A 259 -8.006 -22.389 5.477 1.00 15.00 A C -ATOM 2691 HB1 GLU A 259 -7.217 -23.127 5.513 1.00 15.00 A H -ATOM 2692 HB2 GLU A 259 -8.786 -22.741 4.819 1.00 15.00 A H -ATOM 2693 CG GLU A 259 -8.591 -22.250 6.874 1.00 15.00 A C -ATOM 2694 HG1 GLU A 259 -9.364 -21.493 6.854 1.00 15.00 A H -ATOM 2695 HG2 GLU A 259 -7.807 -21.942 7.550 1.00 15.00 A H -ATOM 2696 CD GLU A 259 -9.195 -23.542 7.393 1.00 15.00 A C -ATOM 2697 OE1 GLU A 259 -10.114 -24.074 6.736 1.00 15.00 A O -ATOM 2698 OE2 GLU A 259 -8.752 -24.018 8.461 1.00 15.00 A O -ATOM 2699 C GLU A 259 -6.403 -21.378 3.825 1.00 15.00 A C -ATOM 2700 O GLU A 259 -5.865 -22.484 3.754 1.00 15.00 A O -ATOM 2701 N GLY A 260 -6.126 -20.386 2.980 1.00 15.00 A N -ATOM 2702 HN GLY A 260 -6.597 -19.532 3.067 1.00 15.00 A H -ATOM 2703 CA GLY A 260 -5.138 -20.564 1.929 1.00 15.00 A C -ATOM 2704 HA1 GLY A 260 -4.383 -21.253 2.281 1.00 15.00 A H -ATOM 2705 HA2 GLY A 260 -4.669 -19.614 1.728 1.00 15.00 A H -ATOM 2706 C GLY A 260 -5.720 -21.104 0.637 1.00 15.00 A C -ATOM 2707 O GLY A 260 -5.079 -21.034 -0.409 1.00 15.00 A O -ATOM 2708 N LYS A 261 -6.933 -21.632 0.704 1.00 15.00 A N -ATOM 2709 HN LYS A 261 -7.409 -21.634 1.563 1.00 15.00 A H -ATOM 2710 CA LYS A 261 -7.579 -22.209 -0.468 1.00 15.00 A C -ATOM 2711 HA LYS A 261 -6.806 -22.479 -1.170 1.00 15.00 A H -ATOM 2712 CB LYS A 261 -8.333 -23.477 -0.050 1.00 15.00 A C -ATOM 2713 HB1 LYS A 261 -8.965 -23.240 0.794 1.00 15.00 A H -ATOM 2714 HB2 LYS A 261 -7.614 -24.219 0.258 1.00 15.00 A H -ATOM 2715 CG LYS A 261 -9.207 -24.077 -1.142 1.00 15.00 A C -ATOM 2716 HG1 LYS A 261 -9.901 -23.323 -1.485 1.00 15.00 A H -ATOM 2717 HG2 LYS A 261 -9.754 -24.913 -0.733 1.00 15.00 A H -ATOM 2718 CD LYS A 261 -8.383 -24.564 -2.323 1.00 15.00 A C -ATOM 2719 HD1 LYS A 261 -7.891 -23.719 -2.781 1.00 15.00 A H -ATOM 2720 HD2 LYS A 261 -9.042 -25.028 -3.043 1.00 15.00 A H -ATOM 2721 CE LYS A 261 -7.335 -25.575 -1.897 1.00 15.00 A C -ATOM 2722 HE1 LYS A 261 -7.835 -26.465 -1.541 1.00 15.00 A H -ATOM 2723 HE2 LYS A 261 -6.745 -25.149 -1.100 1.00 15.00 A H -ATOM 2724 NZ LYS A 261 -6.430 -25.941 -3.019 1.00 15.00 A N -ATOM 2725 HZ1 LYS A 261 -6.972 -26.391 -3.783 1.00 15.00 A H -ATOM 2726 HZ2 LYS A 261 -5.701 -26.605 -2.688 1.00 15.00 A H -ATOM 2727 HZ3 LYS A 261 -5.965 -25.089 -3.391 1.00 15.00 A H -ATOM 2728 C LYS A 261 -8.541 -21.224 -1.137 1.00 15.00 A C -ATOM 2729 O LYS A 261 -9.461 -20.724 -0.499 1.00 15.00 A O -ATOM 2730 N ILE A 262 -8.318 -20.955 -2.433 1.00 15.00 A N -ATOM 2731 HN ILE A 262 -7.549 -21.371 -2.881 1.00 15.00 A H -ATOM 2732 CA ILE A 262 -9.187 -20.056 -3.197 1.00 15.00 A C -ATOM 2733 HA ILE A 262 -9.252 -19.117 -2.666 1.00 15.00 A H -ATOM 2734 CB ILE A 262 -8.629 -19.784 -4.620 1.00 15.00 A C -ATOM 2735 HB ILE A 262 -8.555 -20.725 -5.140 1.00 15.00 A H -ATOM 2736 CG1 ILE A 262 -7.235 -19.149 -4.542 1.00 15.00 A C -ATOM 2737 HG11 ILE A 262 -6.623 -19.719 -3.861 1.00 15.00 A H -ATOM 2738 HG12 ILE A 262 -7.331 -18.137 -4.175 1.00 15.00 A H -ATOM 2739 CG2 ILE A 262 -9.568 -18.882 -5.413 1.00 15.00 A C -ATOM 2740 HG21 ILE A 262 -9.562 -17.889 -4.986 1.00 15.00 A H -ATOM 2741 HG22 ILE A 262 -10.569 -19.282 -5.380 1.00 15.00 A H -ATOM 2742 HG23 ILE A 262 -9.235 -18.830 -6.441 1.00 15.00 A H -ATOM 2743 CD1 ILE A 262 -6.520 -19.085 -5.875 1.00 15.00 A C -ATOM 2744 HD11 ILE A 262 -6.455 -20.074 -6.299 1.00 15.00 A H -ATOM 2745 HD12 ILE A 262 -5.525 -18.690 -5.729 1.00 15.00 A H -ATOM 2746 HD13 ILE A 262 -7.067 -18.438 -6.549 1.00 15.00 A H -ATOM 2747 C ILE A 262 -10.583 -20.670 -3.302 1.00 15.00 A C -ATOM 2748 O ILE A 262 -10.757 -21.749 -3.869 1.00 15.00 A O -ATOM 2749 N VAL A 263 -11.573 -19.973 -2.752 1.00 15.00 A N -ATOM 2750 HN VAL A 263 -11.378 -19.102 -2.348 1.00 15.00 A H -ATOM 2751 CA VAL A 263 -12.944 -20.467 -2.752 1.00 15.00 A C -ATOM 2752 HA VAL A 263 -12.908 -21.514 -3.011 1.00 15.00 A H -ATOM 2753 CB VAL A 263 -13.583 -20.354 -1.345 1.00 15.00 A C -ATOM 2754 HB VAL A 263 -14.612 -20.678 -1.412 1.00 15.00 A H -ATOM 2755 CG1 VAL A 263 -12.863 -21.266 -0.362 1.00 15.00 A C -ATOM 2756 HG11 VAL A 263 -13.317 -21.179 0.614 1.00 15.00 A H -ATOM 2757 HG12 VAL A 263 -11.825 -20.975 -0.303 1.00 15.00 A H -ATOM 2758 HG13 VAL A 263 -12.930 -22.288 -0.704 1.00 15.00 A H -ATOM 2759 CG2 VAL A 263 -13.562 -18.918 -0.847 1.00 15.00 A C -ATOM 2760 HG21 VAL A 263 -13.941 -18.263 -1.619 1.00 15.00 A H -ATOM 2761 HG22 VAL A 263 -12.548 -18.637 -0.605 1.00 15.00 A H -ATOM 2762 HG23 VAL A 263 -14.179 -18.831 0.033 1.00 15.00 A H -ATOM 2763 C VAL A 263 -13.823 -19.751 -3.776 1.00 15.00 A C -ATOM 2764 O VAL A 263 -14.917 -20.227 -4.087 1.00 15.00 A O -ATOM 2765 N HIS A 264 -13.351 -18.621 -4.315 1.00 15.00 A N -ATOM 2766 HN HIS A 264 -12.467 -18.286 -4.048 1.00 15.00 A H -ATOM 2767 CA HIS A 264 -14.141 -17.877 -5.305 1.00 15.00 A C -ATOM 2768 HA HIS A 264 -14.436 -18.573 -6.073 1.00 15.00 A H -ATOM 2769 CB HIS A 264 -15.408 -17.301 -4.650 1.00 15.00 A C -ATOM 2770 HB1 HIS A 264 -15.147 -16.406 -4.103 1.00 15.00 A H -ATOM 2771 HB2 HIS A 264 -15.811 -18.031 -3.963 1.00 15.00 A H -ATOM 2772 CG HIS A 264 -16.483 -16.944 -5.636 1.00 15.00 A C -ATOM 2773 ND1 HIS A 264 -16.442 -15.803 -6.406 1.00 15.00 A N -ATOM 2774 HD1 HIS A 264 -15.735 -15.124 -6.388 1.00 15.00 A H -ATOM 2775 CD2 HIS A 264 -17.625 -17.591 -5.988 1.00 15.00 A C -ATOM 2776 HD2 HIS A 264 -17.996 -18.515 -5.564 1.00 15.00 A H -ATOM 2777 CE1 HIS A 264 -17.504 -15.762 -7.190 1.00 15.00 A C -ATOM 2778 HE1 HIS A 264 -17.729 -14.987 -7.910 1.00 15.00 A H -ATOM 2779 NE2 HIS A 264 -18.235 -16.835 -6.958 1.00 15.00 A N -ATOM 2780 HE2 HIS A 264 -19.078 -17.054 -7.410 1.00 15.00 A H -ATOM 2781 C HIS A 264 -13.347 -16.739 -5.957 1.00 15.00 A C -ATOM 2782 O HIS A 264 -12.505 -16.106 -5.323 1.00 15.00 A O -ATOM 2783 N ILE A 265 -13.642 -16.481 -7.238 1.00 15.00 A N -ATOM 2784 HN ILE A 265 -14.325 -17.023 -7.683 1.00 15.00 A H -ATOM 2785 CA ILE A 265 -12.994 -15.407 -7.997 1.00 15.00 A C -ATOM 2786 HA ILE A 265 -12.436 -14.797 -7.304 1.00 15.00 A H -ATOM 2787 CB ILE A 265 -12.019 -15.946 -9.070 1.00 15.00 A C -ATOM 2788 HB ILE A 265 -12.583 -16.549 -9.768 1.00 15.00 A H -ATOM 2789 CG1 ILE A 265 -10.946 -16.816 -8.410 1.00 15.00 A C -ATOM 2790 HG11 ILE A 265 -11.383 -17.767 -8.142 1.00 15.00 A H -ATOM 2791 HG12 ILE A 265 -10.596 -16.323 -7.520 1.00 15.00 A H -ATOM 2792 CG2 ILE A 265 -11.389 -14.791 -9.845 1.00 15.00 A C -ATOM 2793 HG21 ILE A 265 -10.841 -15.180 -10.691 1.00 15.00 A H -ATOM 2794 HG22 ILE A 265 -10.712 -14.251 -9.199 1.00 15.00 A H -ATOM 2795 HG23 ILE A 265 -12.162 -14.124 -10.193 1.00 15.00 A H -ATOM 2796 CD1 ILE A 265 -9.745 -17.090 -9.286 1.00 15.00 A C -ATOM 2797 HD11 ILE A 265 -9.094 -17.796 -8.795 1.00 15.00 A H -ATOM 2798 HD12 ILE A 265 -9.210 -16.167 -9.457 1.00 15.00 A H -ATOM 2799 HD13 ILE A 265 -10.073 -17.496 -10.230 1.00 15.00 A H -ATOM 2800 C ILE A 265 -14.050 -14.541 -8.675 1.00 15.00 A C -ATOM 2801 O ILE A 265 -14.844 -15.028 -9.481 1.00 15.00 A O -ATOM 2802 N SER A 266 -14.056 -13.255 -8.348 1.00 15.00 A N -ATOM 2803 HN SER A 266 -13.380 -12.918 -7.718 1.00 15.00 A H -ATOM 2804 CA SER A 266 -15.033 -12.328 -8.907 1.00 15.00 A C -ATOM 2805 HA SER A 266 -15.685 -12.894 -9.552 1.00 15.00 A H -ATOM 2806 CB SER A 266 -15.862 -11.710 -7.782 1.00 15.00 A C -ATOM 2807 HB1 SER A 266 -16.577 -11.020 -8.203 1.00 15.00 A H -ATOM 2808 HB2 SER A 266 -15.211 -11.185 -7.097 1.00 15.00 A H -ATOM 2809 OG SER A 266 -16.561 -12.712 -7.068 1.00 15.00 A O -ATOM 2810 HG SER A 266 -17.258 -13.071 -7.622 1.00 15.00 A H -ATOM 2811 C SER A 266 -14.364 -11.232 -9.734 1.00 15.00 A C -ATOM 2812 O SER A 266 -13.523 -10.494 -9.229 1.00 15.00 A O -ATOM 2813 N PRO A 267 -14.752 -11.098 -11.019 1.00 15.00 A N -ATOM 2814 CA PRO A 267 -14.185 -10.079 -11.907 1.00 15.00 A C -ATOM 2815 HA PRO A 267 -13.104 -10.132 -11.931 1.00 15.00 A H -ATOM 2816 CB PRO A 267 -14.756 -10.441 -13.281 1.00 15.00 A C -ATOM 2817 HB1 PRO A 267 -14.059 -11.065 -13.819 1.00 15.00 A H -ATOM 2818 HB2 PRO A 267 -14.967 -9.537 -13.841 1.00 15.00 A H -ATOM 2819 CG PRO A 267 -16.008 -11.196 -12.996 1.00 15.00 A C -ATOM 2820 HG1 PRO A 267 -16.192 -11.913 -13.783 1.00 15.00 A H -ATOM 2821 HG2 PRO A 267 -16.838 -10.505 -12.917 1.00 15.00 A H -ATOM 2822 CD PRO A 267 -15.788 -11.909 -11.691 1.00 15.00 A C -ATOM 2823 HD1 PRO A 267 -15.438 -12.917 -11.862 1.00 15.00 A H -ATOM 2824 HD2 PRO A 267 -16.700 -11.919 -11.112 1.00 15.00 A H -ATOM 2825 C PRO A 267 -14.620 -8.678 -11.482 1.00 15.00 A C -ATOM 2826 O PRO A 267 -15.664 -8.513 -10.850 1.00 15.00 A O -ATOM 2827 N LEU A 268 -13.819 -7.673 -11.821 1.00 15.00 A N -ATOM 2828 HN LEU A 268 -13.001 -7.863 -12.330 1.00 15.00 A H -ATOM 2829 CA LEU A 268 -14.126 -6.294 -11.449 1.00 15.00 A C -ATOM 2830 HA LEU A 268 -14.272 -6.273 -10.378 1.00 15.00 A H -ATOM 2831 CB LEU A 268 -12.956 -5.361 -11.797 1.00 15.00 A C -ATOM 2832 HB1 LEU A 268 -12.762 -5.440 -12.857 1.00 15.00 A H -ATOM 2833 HB2 LEU A 268 -12.082 -5.701 -11.263 1.00 15.00 A H -ATOM 2834 CG LEU A 268 -13.182 -3.878 -11.462 1.00 15.00 A C -ATOM 2835 HG LEU A 268 -14.068 -3.533 -11.974 1.00 15.00 A H -ATOM 2836 CD1 LEU A 268 -13.400 -3.685 -9.967 1.00 15.00 A C -ATOM 2837 HD11 LEU A 268 -12.769 -4.366 -9.419 1.00 15.00 A H -ATOM 2838 HD12 LEU A 268 -14.435 -3.881 -9.728 1.00 15.00 A H -ATOM 2839 HD13 LEU A 268 -13.156 -2.668 -9.695 1.00 15.00 A H -ATOM 2840 CD2 LEU A 268 -12.008 -3.037 -11.942 1.00 15.00 A C -ATOM 2841 HD21 LEU A 268 -11.161 -3.197 -11.291 1.00 15.00 A H -ATOM 2842 HD22 LEU A 268 -12.283 -1.993 -11.925 1.00 15.00 A H -ATOM 2843 HD23 LEU A 268 -11.746 -3.325 -12.948 1.00 15.00 A H -ATOM 2844 C LEU A 268 -15.402 -5.795 -12.123 1.00 15.00 A C -ATOM 2845 O LEU A 268 -15.621 -6.013 -13.314 1.00 15.00 A O -ATOM 2846 N ALA A 269 -16.240 -5.131 -11.336 1.00 15.00 A N -ATOM 2847 HN ALA A 269 -16.011 -5.014 -10.390 1.00 15.00 A H -ATOM 2848 CA ALA A 269 -17.483 -4.561 -11.831 1.00 15.00 A C -ATOM 2849 HA ALA A 269 -17.477 -4.619 -12.910 1.00 15.00 A H -ATOM 2850 CB ALA A 269 -18.684 -5.336 -11.309 1.00 15.00 A C -ATOM 2851 HB1 ALA A 269 -18.571 -6.383 -11.546 1.00 15.00 A H -ATOM 2852 HB2 ALA A 269 -19.585 -4.958 -11.770 1.00 15.00 A H -ATOM 2853 HB3 ALA A 269 -18.751 -5.214 -10.238 1.00 15.00 A H -ATOM 2854 C ALA A 269 -17.566 -3.103 -11.406 1.00 15.00 A C -ATOM 2855 O ALA A 269 -16.833 -2.680 -10.515 1.00 15.00 A O -ATOM 2856 N GLY A 270 -18.442 -2.334 -12.041 1.00 15.00 A N -ATOM 2857 HN GLY A 270 -19.000 -2.717 -12.750 1.00 15.00 A H -ATOM 2858 CA GLY A 270 -18.574 -0.933 -11.687 1.00 15.00 A C -ATOM 2859 HA1 GLY A 270 -17.981 -0.739 -10.804 1.00 15.00 A H -ATOM 2860 HA2 GLY A 270 -19.611 -0.730 -11.463 1.00 15.00 A H -ATOM 2861 C GLY A 270 -18.128 0.000 -12.796 1.00 15.00 A C -ATOM 2862 O GLY A 270 -18.292 -0.310 -13.980 1.00 15.00 A O -ATOM 2863 N SER A 271 -17.549 1.139 -12.410 1.00 15.00 A N -ATOM 2864 HN SER A 271 -17.423 1.312 -11.452 1.00 15.00 A H -ATOM 2865 CA SER A 271 -17.103 2.138 -13.380 1.00 15.00 A C -ATOM 2866 HA SER A 271 -17.379 1.779 -14.357 1.00 15.00 A H -ATOM 2867 CB SER A 271 -17.823 3.467 -13.136 1.00 15.00 A C -ATOM 2868 HB1 SER A 271 -18.820 3.416 -13.545 1.00 15.00 A H -ATOM 2869 HB2 SER A 271 -17.276 4.263 -13.621 1.00 15.00 A H -ATOM 2870 OG SER A 271 -17.907 3.750 -11.750 1.00 15.00 A O -ATOM 2871 HG SER A 271 -18.771 3.492 -11.420 1.00 15.00 A H -ATOM 2872 C SER A 271 -15.585 2.359 -13.360 1.00 15.00 A C -ATOM 2873 O SER A 271 -15.084 3.236 -14.066 1.00 15.00 A O -ATOM 2874 N ALA A 272 -14.852 1.589 -12.551 1.00 15.00 A N -ATOM 2875 HN ALA A 272 -15.294 0.920 -11.984 1.00 15.00 A H -ATOM 2876 CA ALA A 272 -13.396 1.736 -12.500 1.00 15.00 A C -ATOM 2877 HA ALA A 272 -13.176 2.791 -12.396 1.00 15.00 A H -ATOM 2878 CB ALA A 272 -12.791 1.011 -11.301 1.00 15.00 A C -ATOM 2879 HB1 ALA A 272 -13.091 -0.026 -11.313 1.00 15.00 A H -ATOM 2880 HB2 ALA A 272 -13.135 1.476 -10.388 1.00 15.00 A H -ATOM 2881 HB3 ALA A 272 -11.713 1.074 -11.351 1.00 15.00 A H -ATOM 2882 C ALA A 272 -12.777 1.240 -13.799 1.00 15.00 A C -ATOM 2883 O ALA A 272 -13.077 0.137 -14.262 1.00 15.00 A O -ATOM 2884 N GLN A 273 -11.917 2.068 -14.378 1.00 15.00 A N -ATOM 2885 HN GLN A 273 -11.704 2.917 -13.935 1.00 15.00 A H -ATOM 2886 CA GLN A 273 -11.271 1.751 -15.646 1.00 15.00 A C -ATOM 2887 HA GLN A 273 -11.944 1.126 -16.213 1.00 15.00 A H -ATOM 2888 CB GLN A 273 -11.030 3.043 -16.426 1.00 15.00 A C -ATOM 2889 HB1 GLN A 273 -10.554 2.802 -17.367 1.00 15.00 A H -ATOM 2890 HB2 GLN A 273 -10.375 3.680 -15.853 1.00 15.00 A H -ATOM 2891 CG GLN A 273 -12.309 3.814 -16.721 1.00 15.00 A C -ATOM 2892 HG1 GLN A 273 -12.065 4.855 -16.862 1.00 15.00 A H -ATOM 2893 HG2 GLN A 273 -12.972 3.715 -15.876 1.00 15.00 A H -ATOM 2894 CD GLN A 273 -13.026 3.312 -17.962 1.00 15.00 A C -ATOM 2895 OE1 GLN A 273 -12.725 3.740 -19.077 1.00 15.00 A O -ATOM 2896 NE2 GLN A 273 -13.992 2.418 -17.780 1.00 15.00 A N -ATOM 2897 HE21 GLN A 273 -14.196 2.129 -16.864 1.00 15.00 A H -ATOM 2898 HE22 GLN A 273 -14.463 2.081 -18.570 1.00 15.00 A H -ATOM 2899 C GLN A 273 -9.961 0.994 -15.438 1.00 15.00 A C -ATOM 2900 O GLN A 273 -9.663 0.047 -16.166 1.00 15.00 A O -ATOM 2901 N HIS A 274 -9.184 1.415 -14.442 1.00 15.00 A N -ATOM 2902 HN HIS A 274 -9.472 2.179 -13.902 1.00 15.00 A H -ATOM 2903 CA HIS A 274 -7.909 0.770 -14.145 1.00 15.00 A C -ATOM 2904 HA HIS A 274 -7.931 -0.219 -14.577 1.00 15.00 A H -ATOM 2905 CB HIS A 274 -6.761 1.562 -14.768 1.00 15.00 A C -ATOM 2906 HB1 HIS A 274 -6.508 2.387 -14.117 1.00 15.00 A H -ATOM 2907 HB2 HIS A 274 -7.074 1.950 -15.725 1.00 15.00 A H -ATOM 2908 CG HIS A 274 -5.529 0.739 -14.983 1.00 15.00 A C -ATOM 2909 ND1 HIS A 274 -5.448 -0.232 -15.954 1.00 15.00 A N -ATOM 2910 HD1 HIS A 274 -6.150 -0.457 -16.600 1.00 15.00 A H -ATOM 2911 CD2 HIS A 274 -4.346 0.710 -14.322 1.00 15.00 A C -ATOM 2912 HD2 HIS A 274 -4.048 1.360 -13.512 1.00 15.00 A H -ATOM 2913 CE1 HIS A 274 -4.272 -0.826 -15.878 1.00 15.00 A C -ATOM 2914 HE1 HIS A 274 -3.934 -1.645 -16.501 1.00 15.00 A H -ATOM 2915 NE2 HIS A 274 -3.583 -0.268 -14.903 1.00 15.00 A N -ATOM 2916 HE2 HIS A 274 -2.675 -0.522 -14.635 1.00 15.00 A H -ATOM 2917 C HIS A 274 -7.702 0.648 -12.636 1.00 15.00 A C -ATOM 2918 O HIS A 274 -7.830 1.627 -11.905 1.00 15.00 A O -ATOM 2919 N VAL A 275 -7.363 -0.556 -12.178 1.00 15.00 A N -ATOM 2920 HN VAL A 275 -7.252 -1.297 -12.813 1.00 15.00 A H -ATOM 2921 CA VAL A 275 -7.158 -0.802 -10.752 1.00 15.00 A C -ATOM 2922 HA VAL A 275 -7.196 0.146 -10.240 1.00 15.00 A H -ATOM 2923 CB VAL A 275 -8.296 -1.697 -10.196 1.00 15.00 A C -ATOM 2924 HB VAL A 275 -8.357 -2.585 -10.801 1.00 15.00 A H -ATOM 2925 CG1 VAL A 275 -8.019 -2.118 -8.768 1.00 15.00 A C -ATOM 2926 HG11 VAL A 275 -8.792 -2.796 -8.437 1.00 15.00 A H -ATOM 2927 HG12 VAL A 275 -8.010 -1.245 -8.130 1.00 15.00 A H -ATOM 2928 HG13 VAL A 275 -7.060 -2.611 -8.715 1.00 15.00 A H -ATOM 2929 CG2 VAL A 275 -9.633 -0.976 -10.278 1.00 15.00 A C -ATOM 2930 HG21 VAL A 275 -9.598 -0.079 -9.676 1.00 15.00 A H -ATOM 2931 HG22 VAL A 275 -10.416 -1.625 -9.911 1.00 15.00 A H -ATOM 2932 HG23 VAL A 275 -9.838 -0.713 -11.305 1.00 15.00 A H -ATOM 2933 C VAL A 275 -5.800 -1.461 -10.484 1.00 15.00 A C -ATOM 2934 O VAL A 275 -5.480 -2.486 -11.077 1.00 15.00 A O ATOM 2935 N GLU A 276 -5.002 -0.847 -9.597 1.00 15.00 A N ATOM 2936 HN GLU A 276 -5.312 -0.015 -9.185 1.00 15.00 A H ATOM 2937 CA GLU A 276 -3.675 -1.372 -9.225 1.00 15.00 A C @@ -3003,217 +237,6 @@ ATOM 2961 OE1 GLU A 277 1.110 0.790 -6.633 1.00 15.00 A O ATOM 2962 OE2 GLU A 277 2.378 -0.818 -7.427 1.00 15.00 A O ATOM 2963 C GLU A 277 -3.246 -1.050 -4.897 1.00 15.00 A C ATOM 2964 O GLU A 277 -3.204 0.139 -4.563 1.00 15.00 A O -ATOM 2965 N CYS A 278 -4.250 -1.857 -4.585 1.00 15.00 A N -ATOM 2966 HN CYS A 278 -4.212 -2.796 -4.865 1.00 15.00 A H -ATOM 2967 CA CYS A 278 -5.397 -1.397 -3.821 1.00 15.00 A C -ATOM 2968 HA CYS A 278 -5.653 -0.407 -4.160 1.00 15.00 A H -ATOM 2969 HB1 CYS A 278 -7.337 -2.149 -3.309 1.00 15.00 A H -ATOM 2970 HB2 CYS A 278 -6.247 -3.352 -3.981 1.00 15.00 A H -ATOM 2971 C CYS A 278 -5.097 -1.357 -2.328 1.00 15.00 A C -ATOM 2972 O CYS A 278 -4.433 -2.243 -1.798 1.00 15.00 A O -ATOM 2973 CB CYS A 278 -6.588 -2.331 -4.061 1.00 15.00 A C -ATOM 2974 SG CYS A 278 -7.378 -2.158 -5.688 1.00 15.00 A S -ATOM 2975 N SER A 279 -5.569 -0.316 -1.653 1.00 15.00 A N -ATOM 2976 HN SER A 279 -6.048 0.395 -2.134 1.00 15.00 A H -ATOM 2977 CA SER A 279 -5.387 -0.205 -0.208 1.00 15.00 A C -ATOM 2978 HA SER A 279 -4.686 -0.969 0.091 1.00 15.00 A H -ATOM 2979 CB SER A 279 -4.840 1.164 0.192 1.00 15.00 A C -ATOM 2980 HB1 SER A 279 -4.879 1.262 1.266 1.00 15.00 A H -ATOM 2981 HB2 SER A 279 -5.442 1.935 -0.266 1.00 15.00 A H -ATOM 2982 OG SER A 279 -3.500 1.321 -0.233 1.00 15.00 A O -ATOM 2983 HG SER A 279 -2.975 0.584 0.087 1.00 15.00 A H -ATOM 2984 C SER A 279 -6.718 -0.475 0.481 1.00 15.00 A C -ATOM 2985 O SER A 279 -7.525 0.432 0.684 1.00 15.00 A O -ATOM 2986 N CYS A 280 -6.934 -1.742 0.827 1.00 15.00 A N -ATOM 2987 HN CYS A 280 -6.229 -2.405 0.658 1.00 15.00 A H -ATOM 2988 CA CYS A 280 -8.181 -2.183 1.439 1.00 15.00 A C -ATOM 2989 HA CYS A 280 -8.973 -1.559 1.055 1.00 15.00 A H -ATOM 2990 HB1 CYS A 280 -9.443 -3.915 1.394 1.00 15.00 A H -ATOM 2991 HB2 CYS A 280 -7.722 -4.275 1.471 1.00 15.00 A H -ATOM 2992 C CYS A 280 -8.180 -2.084 2.958 1.00 15.00 A C -ATOM 2993 O CYS A 280 -7.133 -2.120 3.607 1.00 15.00 A O -ATOM 2994 CB CYS A 280 -8.467 -3.630 1.029 1.00 15.00 A C -ATOM 2995 SG CYS A 280 -8.445 -3.915 -0.769 1.00 15.00 A S -ATOM 2996 N TYR A 281 -9.386 -1.952 3.500 1.00 15.00 A N -ATOM 2997 HN TYR A 281 -10.159 -1.880 2.906 1.00 15.00 A H -ATOM 2998 CA TYR A 281 -9.610 -1.887 4.936 1.00 15.00 A C -ATOM 2999 HA TYR A 281 -8.866 -2.512 5.411 1.00 15.00 A H -ATOM 3000 CB TYR A 281 -9.486 -0.453 5.486 1.00 15.00 A C -ATOM 3001 HB1 TYR A 281 -8.472 -0.114 5.348 1.00 15.00 A H -ATOM 3002 HB2 TYR A 281 -9.706 -0.476 6.546 1.00 15.00 A H -ATOM 3003 CG TYR A 281 -10.418 0.559 4.837 1.00 15.00 A C -ATOM 3004 CD1 TYR A 281 -11.720 0.740 5.299 1.00 15.00 A C -ATOM 3005 HD1 TYR A 281 -12.074 0.143 6.139 1.00 15.00 A H -ATOM 3006 CD2 TYR A 281 -9.991 1.335 3.766 1.00 15.00 A C -ATOM 3007 HD2 TYR A 281 -8.983 1.208 3.405 1.00 15.00 A H -ATOM 3008 CE1 TYR A 281 -12.563 1.668 4.713 1.00 15.00 A C -ATOM 3009 HE1 TYR A 281 -13.563 1.800 5.087 1.00 15.00 A H -ATOM 3010 CE2 TYR A 281 -10.826 2.259 3.175 1.00 15.00 A C -ATOM 3011 HE2 TYR A 281 -10.473 2.837 2.345 1.00 15.00 A H -ATOM 3012 CZ TYR A 281 -12.116 2.421 3.649 1.00 15.00 A C -ATOM 3013 OH TYR A 281 -12.943 3.358 3.069 1.00 15.00 A O -ATOM 3014 HH TYR A 281 -12.637 3.531 2.168 1.00 15.00 A H -ATOM 3015 C TYR A 281 -10.993 -2.446 5.252 1.00 15.00 A C -ATOM 3016 O TYR A 281 -11.931 -2.286 4.465 1.00 15.00 A O -ATOM 3017 N PRO A 282 -11.129 -3.125 6.399 1.00 15.00 A N -ATOM 3018 CA PRO A 282 -12.399 -3.721 6.833 1.00 15.00 A C -ATOM 3019 HA PRO A 282 -12.767 -4.431 6.103 1.00 15.00 A H -ATOM 3020 CB PRO A 282 -12.015 -4.461 8.118 1.00 15.00 A C -ATOM 3021 HB1 PRO A 282 -11.824 -5.502 7.902 1.00 15.00 A H -ATOM 3022 HB2 PRO A 282 -12.807 -4.366 8.851 1.00 15.00 A H -ATOM 3023 CG PRO A 282 -10.767 -3.806 8.589 1.00 15.00 A C -ATOM 3024 HG1 PRO A 282 -10.167 -4.509 9.147 1.00 15.00 A H -ATOM 3025 HG2 PRO A 282 -11.014 -2.946 9.199 1.00 15.00 A H -ATOM 3026 CD PRO A 282 -10.039 -3.383 7.354 1.00 15.00 A C -ATOM 3027 HD1 PRO A 282 -9.394 -4.171 7.001 1.00 15.00 A H -ATOM 3028 HD2 PRO A 282 -9.470 -2.483 7.539 1.00 15.00 A H -ATOM 3029 C PRO A 282 -13.484 -2.681 7.116 1.00 15.00 A C -ATOM 3030 O PRO A 282 -13.295 -1.762 7.909 1.00 15.00 A O -ATOM 3031 N ARG A 283 -14.615 -2.836 6.441 1.00 15.00 A N -ATOM 3032 HN ARG A 283 -14.685 -3.576 5.802 1.00 15.00 A H -ATOM 3033 CA ARG A 283 -15.755 -1.942 6.608 1.00 15.00 A C -ATOM 3034 HA ARG A 283 -15.615 -1.386 7.525 1.00 15.00 A H -ATOM 3035 CB ARG A 283 -15.836 -0.969 5.423 1.00 15.00 A C -ATOM 3036 HB1 ARG A 283 -16.570 -1.333 4.721 1.00 15.00 A H -ATOM 3037 HB2 ARG A 283 -14.872 -0.937 4.942 1.00 15.00 A H -ATOM 3038 CG ARG A 283 -16.213 0.452 5.817 1.00 15.00 A C -ATOM 3039 HG1 ARG A 283 -15.355 0.933 6.261 1.00 15.00 A H -ATOM 3040 HG2 ARG A 283 -17.014 0.413 6.532 1.00 15.00 A H -ATOM 3041 CD ARG A 283 -16.663 1.269 4.614 1.00 15.00 A C -ATOM 3042 HD1 ARG A 283 -16.055 0.991 3.762 1.00 15.00 A H -ATOM 3043 HD2 ARG A 283 -16.516 2.322 4.835 1.00 15.00 A H -ATOM 3044 NE ARG A 283 -18.071 1.049 4.281 1.00 15.00 A N -ATOM 3045 HE ARG A 283 -18.295 0.238 3.780 1.00 15.00 A H -ATOM 3046 CZ ARG A 283 -19.061 1.882 4.620 1.00 15.00 A C -ATOM 3047 NH1 ARG A 283 -18.798 2.989 5.309 1.00 15.00 A N -ATOM 3048 HH11 ARG A 283 -17.828 3.214 5.580 1.00 15.00 A H -ATOM 3049 HH12 ARG A 283 -19.568 3.632 5.576 1.00 15.00 A H -ATOM 3050 NH2 ARG A 283 -20.305 1.622 4.244 1.00 15.00 A N -ATOM 3051 HH21 ARG A 283 -20.513 0.777 3.670 1.00 15.00 A H -ATOM 3052 HH22 ARG A 283 -21.078 2.264 4.517 1.00 15.00 A H -ATOM 3053 C ARG A 283 -17.034 -2.776 6.713 1.00 15.00 A C -ATOM 3054 O ARG A 283 -17.915 -2.678 5.855 1.00 15.00 A O -ATOM 3055 N TYR A 284 -17.088 -3.595 7.779 1.00 15.00 A N -ATOM 3056 HN TYR A 284 -16.339 -3.568 8.409 1.00 15.00 A H -ATOM 3057 CA TYR A 284 -18.194 -4.527 8.071 1.00 15.00 A C -ATOM 3058 HA TYR A 284 -17.945 -5.458 7.590 1.00 15.00 A H -ATOM 3059 CB TYR A 284 -18.280 -4.781 9.573 1.00 15.00 A C -ATOM 3060 HB1 TYR A 284 -18.760 -3.939 10.049 1.00 15.00 A H -ATOM 3061 HB2 TYR A 284 -17.282 -4.890 9.971 1.00 15.00 A H -ATOM 3062 CG TYR A 284 -19.061 -6.030 9.931 1.00 15.00 A C -ATOM 3063 CD1 TYR A 284 -18.502 -7.293 9.758 1.00 15.00 A C -ATOM 3064 HD1 TYR A 284 -17.502 -7.373 9.356 1.00 15.00 A H -ATOM 3065 CD2 TYR A 284 -20.355 -5.949 10.435 1.00 15.00 A C -ATOM 3066 HD2 TYR A 284 -20.800 -4.977 10.591 1.00 15.00 A H -ATOM 3067 CE1 TYR A 284 -19.211 -8.438 10.073 1.00 15.00 A C -ATOM 3068 HE1 TYR A 284 -18.757 -9.410 9.935 1.00 15.00 A H -ATOM 3069 CE2 TYR A 284 -21.069 -7.089 10.749 1.00 15.00 A C -ATOM 3070 HE2 TYR A 284 -22.082 -7.010 11.121 1.00 15.00 A H -ATOM 3071 CZ TYR A 284 -20.495 -8.331 10.561 1.00 15.00 A C -ATOM 3072 OH TYR A 284 -21.203 -9.468 10.871 1.00 15.00 A O -ATOM 3073 HH TYR A 284 -20.605 -10.130 11.232 1.00 15.00 A H -ATOM 3074 C TYR A 284 -19.559 -4.074 7.548 1.00 15.00 A C -ATOM 3075 O TYR A 284 -19.984 -2.937 7.764 1.00 15.00 A O -ATOM 3076 N PRO A 285 -20.280 -4.996 6.879 1.00 15.00 A N -ATOM 3077 CA PRO A 285 -19.808 -6.367 6.624 1.00 15.00 A C -ATOM 3078 HA PRO A 285 -19.260 -6.770 7.468 1.00 15.00 A H -ATOM 3079 CB PRO A 285 -21.126 -7.119 6.475 1.00 15.00 A C -ATOM 3080 HB1 PRO A 285 -21.522 -7.388 7.440 1.00 15.00 A H -ATOM 3081 HB2 PRO A 285 -20.979 -8.000 5.860 1.00 15.00 A H -ATOM 3082 CG PRO A 285 -22.027 -6.141 5.802 1.00 15.00 A C -ATOM 3083 HG1 PRO A 285 -23.054 -6.348 6.057 1.00 15.00 A H -ATOM 3084 HG2 PRO A 285 -21.887 -6.193 4.728 1.00 15.00 A H -ATOM 3085 CD PRO A 285 -21.628 -4.779 6.316 1.00 15.00 A C -ATOM 3086 HD1 PRO A 285 -22.315 -4.455 7.086 1.00 15.00 A H -ATOM 3087 HD2 PRO A 285 -21.601 -4.064 5.510 1.00 15.00 A H -ATOM 3088 C PRO A 285 -18.992 -6.506 5.341 1.00 15.00 A C -ATOM 3089 O PRO A 285 -18.816 -7.612 4.828 1.00 15.00 A O -ATOM 3090 N GLY A 286 -18.483 -5.386 4.824 1.00 15.00 A N -ATOM 3091 HN GLY A 286 -18.614 -4.535 5.295 1.00 15.00 A H -ATOM 3092 CA GLY A 286 -17.738 -5.421 3.574 1.00 15.00 A C -ATOM 3093 HA1 GLY A 286 -18.234 -4.769 2.872 1.00 15.00 A H -ATOM 3094 HA2 GLY A 286 -17.768 -6.426 3.187 1.00 15.00 A H -ATOM 3095 C GLY A 286 -16.284 -4.994 3.676 1.00 15.00 A C -ATOM 3096 O GLY A 286 -15.740 -4.826 4.767 1.00 15.00 A O -ATOM 3097 N VAL A 287 -15.664 -4.839 2.505 1.00 15.00 A N -ATOM 3098 HN VAL A 287 -16.169 -5.012 1.685 1.00 15.00 A H -ATOM 3099 CA VAL A 287 -14.268 -4.418 2.389 1.00 15.00 A C -ATOM 3100 HA VAL A 287 -13.960 -4.017 3.345 1.00 15.00 A H -ATOM 3101 CB VAL A 287 -13.338 -5.597 2.018 1.00 15.00 A C -ATOM 3102 HB VAL A 287 -13.638 -5.974 1.048 1.00 15.00 A H -ATOM 3103 CG1 VAL A 287 -11.893 -5.128 1.917 1.00 15.00 A C -ATOM 3104 HG11 VAL A 287 -11.276 -5.937 1.555 1.00 15.00 A H -ATOM 3105 HG12 VAL A 287 -11.548 -4.818 2.892 1.00 15.00 A H -ATOM 3106 HG13 VAL A 287 -11.834 -4.294 1.233 1.00 15.00 A H -ATOM 3107 CG2 VAL A 287 -13.465 -6.729 3.028 1.00 15.00 A C -ATOM 3108 HG21 VAL A 287 -14.493 -7.059 3.075 1.00 15.00 A H -ATOM 3109 HG22 VAL A 287 -13.155 -6.379 4.002 1.00 15.00 A H -ATOM 3110 HG23 VAL A 287 -12.836 -7.554 2.727 1.00 15.00 A H -ATOM 3111 C VAL A 287 -14.133 -3.326 1.326 1.00 15.00 A C -ATOM 3112 O VAL A 287 -14.504 -3.524 0.169 1.00 15.00 A O -ATOM 3113 N ARG A 288 -13.603 -2.177 1.730 1.00 15.00 A N -ATOM 3114 HN ARG A 288 -13.324 -2.082 2.666 1.00 15.00 A H -ATOM 3115 CA ARG A 288 -13.439 -1.051 0.818 1.00 15.00 A C -ATOM 3116 HA ARG A 288 -13.980 -1.278 -0.089 1.00 15.00 A H -ATOM 3117 CB ARG A 288 -14.033 0.205 1.439 1.00 15.00 A C -ATOM 3118 HB1 ARG A 288 -13.567 0.374 2.398 1.00 15.00 A H -ATOM 3119 HB2 ARG A 288 -15.093 0.053 1.581 1.00 15.00 A H -ATOM 3120 CG ARG A 288 -13.836 1.438 0.586 1.00 15.00 A C -ATOM 3121 HG1 ARG A 288 -13.214 1.177 -0.261 1.00 15.00 A H -ATOM 3122 HG2 ARG A 288 -13.351 2.199 1.178 1.00 15.00 A H -ATOM 3123 CD ARG A 288 -15.157 1.972 0.091 1.00 15.00 A C -ATOM 3124 HD1 ARG A 288 -15.772 1.137 -0.221 1.00 15.00 A H -ATOM 3125 HD2 ARG A 288 -14.979 2.625 -0.752 1.00 15.00 A H -ATOM 3126 NE ARG A 288 -15.862 2.720 1.123 1.00 15.00 A N -ATOM 3127 HE ARG A 288 -15.324 3.261 1.742 1.00 15.00 A H -ATOM 3128 CZ ARG A 288 -17.181 2.706 1.274 1.00 15.00 A C -ATOM 3129 NH1 ARG A 288 -17.939 1.975 0.465 1.00 15.00 A N -ATOM 3130 HH11 ARG A 288 -17.499 1.407 -0.288 1.00 15.00 A H -ATOM 3131 HH12 ARG A 288 -18.970 1.967 0.580 1.00 15.00 A H -ATOM 3132 NH2 ARG A 288 -17.741 3.443 2.219 1.00 15.00 A N -ATOM 3133 HH21 ARG A 288 -17.146 4.024 2.847 1.00 15.00 A H -ATOM 3134 HH22 ARG A 288 -18.774 3.438 2.343 1.00 15.00 A H -ATOM 3135 C ARG A 288 -11.978 -0.809 0.467 1.00 15.00 A C -ATOM 3136 O ARG A 288 -11.120 -0.771 1.346 1.00 15.00 A O -ATOM 3137 N CYS A 289 -11.711 -0.620 -0.822 1.00 15.00 A N -ATOM 3138 HN CYS A 289 -12.443 -0.646 -1.472 1.00 15.00 A H -ATOM 3139 CA CYS A 289 -10.349 -0.402 -1.288 1.00 15.00 A C -ATOM 3140 HA CYS A 289 -9.713 -0.308 -0.425 1.00 15.00 A H -ATOM 3141 HB1 CYS A 289 -8.811 -1.538 -2.238 1.00 15.00 A H -ATOM 3142 HB2 CYS A 289 -10.354 -1.566 -3.082 1.00 15.00 A H -ATOM 3143 C CYS A 289 -10.199 0.850 -2.152 1.00 15.00 A C -ATOM 3144 O CYS A 289 -10.981 1.092 -3.069 1.00 15.00 A O -ATOM 3145 CB CYS A 289 -9.880 -1.603 -2.110 1.00 15.00 A C -ATOM 3146 SG CYS A 289 -10.255 -3.226 -1.375 1.00 15.00 A S -ATOM 3147 N ILE A 290 -9.172 1.637 -1.842 1.00 15.00 A N -ATOM 3148 HN ILE A 290 -8.627 1.415 -1.058 1.00 15.00 A H -ATOM 3149 CA ILE A 290 -8.832 2.823 -2.623 1.00 15.00 A C -ATOM 3150 HA ILE A 290 -9.633 3.004 -3.326 1.00 15.00 A H -ATOM 3151 CB ILE A 290 -8.629 4.082 -1.738 1.00 15.00 A C -ATOM 3152 HB ILE A 290 -8.208 3.766 -0.796 1.00 15.00 A H -ATOM 3153 CG1 ILE A 290 -9.974 4.775 -1.477 1.00 15.00 A C -ATOM 3154 HG11 ILE A 290 -10.432 5.029 -2.423 1.00 15.00 A H -ATOM 3155 HG12 ILE A 290 -9.799 5.678 -0.915 1.00 15.00 A H -ATOM 3156 CG2 ILE A 290 -7.653 5.059 -2.386 1.00 15.00 A C -ATOM 3157 HG21 ILE A 290 -7.378 5.823 -1.673 1.00 15.00 A H -ATOM 3158 HG22 ILE A 290 -8.118 5.520 -3.245 1.00 15.00 A H -ATOM 3159 HG23 ILE A 290 -6.766 4.526 -2.701 1.00 15.00 A H -ATOM 3160 CD1 ILE A 290 -10.961 3.937 -0.696 1.00 15.00 A C -ATOM 3161 HD11 ILE A 290 -10.496 3.594 0.218 1.00 15.00 A H -ATOM 3162 HD12 ILE A 290 -11.256 3.085 -1.291 1.00 15.00 A H -ATOM 3163 HD13 ILE A 290 -11.829 4.529 -0.458 1.00 15.00 A H -ATOM 3164 C ILE A 290 -7.564 2.476 -3.393 1.00 15.00 A C -ATOM 3165 O ILE A 290 -6.494 2.314 -2.804 1.00 15.00 A O -ATOM 3166 N CYS A 291 -7.684 2.332 -4.708 1.00 15.00 A N -ATOM 3167 HN CYS A 291 -8.550 2.508 -5.141 1.00 15.00 A H -ATOM 3168 CA CYS A 291 -6.542 1.897 -5.511 1.00 15.00 A C -ATOM 3169 HA CYS A 291 -5.812 1.511 -4.820 1.00 15.00 A H -ATOM 3170 HB1 CYS A 291 -6.122 0.126 -6.627 1.00 15.00 A H -ATOM 3171 HB2 CYS A 291 -7.386 1.133 -7.331 1.00 15.00 A H -ATOM 3172 C CYS A 291 -5.860 2.984 -6.335 1.00 15.00 A C -ATOM 3173 O CYS A 291 -6.020 4.180 -6.096 1.00 15.00 A O -ATOM 3174 CB CYS A 291 -6.981 0.744 -6.408 1.00 15.00 A C -ATOM 3175 SG CYS A 291 -8.241 -0.325 -5.644 1.00 15.00 A S ATOM 3176 N ARG A 292 -5.070 2.509 -7.303 1.00 15.00 A N ATOM 3177 HN ARG A 292 -5.021 1.537 -7.426 1.00 15.00 A H ATOM 3178 CA ARG A 292 -4.266 3.352 -8.180 1.00 15.00 A C @@ -3238,18 +261,6 @@ ATOM 3196 HH21 ARG A 292 2.159 3.866 -11.726 1.00 15.00 A H ATOM 3197 HH22 ARG A 292 3.595 3.369 -10.755 1.00 15.00 A H ATOM 3198 C ARG A 292 -4.654 3.222 -9.656 1.00 15.00 A C ATOM 3199 O ARG A 292 -4.577 2.138 -10.236 1.00 15.00 A O -ATOM 3200 N ASP A 293 -5.066 4.337 -10.258 1.00 15.00 A N -ATOM 3201 HN ASP A 293 -5.157 5.161 -9.733 1.00 15.00 A H -ATOM 3202 CA ASP A 293 -5.401 4.353 -11.678 1.00 15.00 A C -ATOM 3203 HA ASP A 293 -5.664 3.343 -11.967 1.00 15.00 A H -ATOM 3204 CB ASP A 293 -6.587 5.281 -11.958 1.00 15.00 A C -ATOM 3205 HB1 ASP A 293 -6.277 6.309 -11.833 1.00 15.00 A H -ATOM 3206 HB2 ASP A 293 -7.379 5.063 -11.256 1.00 15.00 A H -ATOM 3207 CG ASP A 293 -7.137 5.110 -13.364 1.00 15.00 A C -ATOM 3208 OD1 ASP A 293 -6.341 5.126 -14.325 1.00 15.00 A O -ATOM 3209 OD2 ASP A 293 -8.365 4.953 -13.503 1.00 15.00 A O -ATOM 3210 C ASP A 293 -4.166 4.786 -12.473 1.00 15.00 A C -ATOM 3211 O ASP A 293 -3.835 5.969 -12.537 1.00 15.00 A O ATOM 3212 N ASN A 294 -3.495 3.808 -13.071 1.00 15.00 A N ATOM 3213 HN ASN A 294 -3.837 2.894 -12.997 1.00 15.00 A H ATOM 3214 CA ASN A 294 -2.269 4.037 -13.839 1.00 15.00 A C @@ -3264,789 +275,6 @@ ATOM 3222 HD21 ASN A 294 0.035 2.198 -15.656 1.00 15.00 A H ATOM 3223 HD22 ASN A 294 1.581 2.812 -15.190 1.00 15.00 A H ATOM 3224 C ASN A 294 -2.554 4.282 -15.330 1.00 15.00 A C ATOM 3225 O ASN A 294 -1.631 4.315 -16.142 1.00 15.00 A O -ATOM 3226 N TRP A 295 -3.829 4.463 -15.691 1.00 15.00 A N -ATOM 3227 HN TRP A 295 -4.531 4.453 -15.007 1.00 15.00 A H -ATOM 3228 CA TRP A 295 -4.194 4.653 -17.098 1.00 15.00 A C -ATOM 3229 HA TRP A 295 -3.295 4.529 -17.679 1.00 15.00 A H -ATOM 3230 CB TRP A 295 -5.181 3.554 -17.513 1.00 15.00 A C -ATOM 3231 HB1 TRP A 295 -6.081 3.655 -16.921 1.00 15.00 A H -ATOM 3232 HB2 TRP A 295 -4.732 2.594 -17.313 1.00 15.00 A H -ATOM 3233 CG TRP A 295 -5.563 3.577 -18.967 1.00 15.00 A C -ATOM 3234 CD1 TRP A 295 -4.863 4.143 -20.001 1.00 15.00 A C -ATOM 3235 HD1 TRP A 295 -3.922 4.655 -19.881 1.00 15.00 A H -ATOM 3236 CD2 TRP A 295 -6.739 3.008 -19.545 1.00 15.00 A C -ATOM 3237 NE1 TRP A 295 -5.539 3.966 -21.181 1.00 15.00 A N -ATOM 3238 HE1 TRP A 295 -5.244 4.280 -22.059 1.00 15.00 A H -ATOM 3239 CE2 TRP A 295 -6.697 3.275 -20.929 1.00 15.00 A C -ATOM 3240 CE3 TRP A 295 -7.835 2.310 -19.026 1.00 15.00 A C -ATOM 3241 HE3 TRP A 295 -7.906 2.095 -17.972 1.00 15.00 A H -ATOM 3242 CZ2 TRP A 295 -7.710 2.855 -21.799 1.00 15.00 A C -ATOM 3243 HZ2 TRP A 295 -7.674 3.055 -22.860 1.00 15.00 A H -ATOM 3244 CZ3 TRP A 295 -8.834 1.895 -19.885 1.00 15.00 A C -ATOM 3245 HZ3 TRP A 295 -9.684 1.350 -19.499 1.00 15.00 A H -ATOM 3246 CH2 TRP A 295 -8.769 2.171 -21.258 1.00 15.00 A C -ATOM 3247 HH2 TRP A 295 -9.577 1.831 -21.892 1.00 15.00 A H -ATOM 3248 C TRP A 295 -4.774 6.050 -17.422 1.00 15.00 A C -ATOM 3249 O TRP A 295 -4.161 6.808 -18.179 1.00 15.00 A O -ATOM 3250 N LYS A 296 -5.951 6.390 -16.878 1.00 15.00 A N -ATOM 3251 HN LYS A 296 -6.389 5.775 -16.255 1.00 15.00 A H -ATOM 3252 CA LYS A 296 -6.600 7.680 -17.193 1.00 15.00 A C -ATOM 3253 HA LYS A 296 -5.949 8.251 -17.835 1.00 15.00 A H -ATOM 3254 CB LYS A 296 -7.941 7.454 -17.909 1.00 15.00 A C -ATOM 3255 HB1 LYS A 296 -8.393 8.422 -18.083 1.00 15.00 A H -ATOM 3256 HB2 LYS A 296 -8.583 6.898 -17.249 1.00 15.00 A H -ATOM 3257 CG LYS A 296 -7.899 6.718 -19.236 1.00 15.00 A C -ATOM 3258 HG1 LYS A 296 -7.037 6.072 -19.256 1.00 15.00 A H -ATOM 3259 HG2 LYS A 296 -7.838 7.443 -20.038 1.00 15.00 A H -ATOM 3260 CD LYS A 296 -9.163 5.885 -19.423 1.00 15.00 A C -ATOM 3261 HD1 LYS A 296 -9.962 6.322 -18.842 1.00 15.00 A H -ATOM 3262 HD2 LYS A 296 -8.973 4.881 -19.072 1.00 15.00 A H -ATOM 3263 CE LYS A 296 -9.589 5.825 -20.881 1.00 15.00 A C -ATOM 3264 HE1 LYS A 296 -8.874 5.224 -21.424 1.00 15.00 A H -ATOM 3265 HE2 LYS A 296 -9.590 6.827 -21.280 1.00 15.00 A H -ATOM 3266 NZ LYS A 296 -10.949 5.234 -21.058 1.00 15.00 A N -ATOM 3267 HZ1 LYS A 296 -10.992 4.293 -20.621 1.00 15.00 A H -ATOM 3268 HZ2 LYS A 296 -11.172 5.145 -22.070 1.00 15.00 A H -ATOM 3269 HZ3 LYS A 296 -11.665 5.845 -20.612 1.00 15.00 A H -ATOM 3270 C LYS A 296 -6.981 8.508 -15.967 1.00 15.00 A C -ATOM 3271 O LYS A 296 -7.702 9.492 -16.123 1.00 15.00 A O -ATOM 3272 N GLY A 297 -6.530 8.182 -14.768 1.00 15.00 A N -ATOM 3273 HN GLY A 297 -5.884 7.450 -14.642 1.00 15.00 A H -ATOM 3274 CA GLY A 297 -7.033 8.966 -13.654 1.00 15.00 A C -ATOM 3275 HA1 GLY A 297 -7.728 8.339 -13.112 1.00 15.00 A H -ATOM 3276 HA2 GLY A 297 -7.589 9.793 -14.059 1.00 15.00 A H -ATOM 3277 C GLY A 297 -6.041 9.525 -12.655 1.00 15.00 A C -ATOM 3278 O GLY A 297 -5.032 8.907 -12.332 1.00 15.00 A O -ATOM 3279 N SER A 298 -6.361 10.730 -12.169 1.00 15.00 A N -ATOM 3280 HN SER A 298 -7.140 11.199 -12.540 1.00 15.00 A H -ATOM 3281 CA SER A 298 -5.593 11.383 -11.116 1.00 15.00 A C -ATOM 3282 HA SER A 298 -4.608 10.936 -11.087 1.00 15.00 A H -ATOM 3283 CB SER A 298 -5.477 12.898 -11.348 1.00 15.00 A C -ATOM 3284 HB1 SER A 298 -5.838 13.421 -10.473 1.00 15.00 A H -ATOM 3285 HB2 SER A 298 -6.076 13.182 -12.201 1.00 15.00 A H -ATOM 3286 OG SER A 298 -4.134 13.283 -11.586 1.00 15.00 A O -ATOM 3287 HG SER A 298 -4.046 13.596 -12.494 1.00 15.00 A H -ATOM 3288 C SER A 298 -6.326 11.090 -9.813 1.00 15.00 A C -ATOM 3289 O SER A 298 -5.761 11.118 -8.725 1.00 15.00 A O -ATOM 3290 N ASN A 299 -7.617 10.815 -9.964 1.00 15.00 A N -ATOM 3291 HN ASN A 299 -8.002 10.858 -10.862 1.00 15.00 A H -ATOM 3292 CA ASN A 299 -8.478 10.448 -8.857 1.00 15.00 A C -ATOM 3293 HA ASN A 299 -8.113 10.940 -7.969 1.00 15.00 A H -ATOM 3294 CB ASN A 299 -9.930 10.880 -9.119 1.00 15.00 A C -ATOM 3295 HB1 ASN A 299 -9.985 11.955 -9.075 1.00 15.00 A H -ATOM 3296 HB2 ASN A 299 -10.561 10.465 -8.345 1.00 15.00 A H -ATOM 3297 CG ASN A 299 -10.480 10.429 -10.469 1.00 15.00 A C -ATOM 3298 OD1 ASN A 299 -9.739 10.181 -11.421 1.00 15.00 A O -ATOM 3299 ND2 ASN A 299 -11.800 10.337 -10.557 1.00 15.00 A N -ATOM 3300 HD21 ASN A 299 -12.331 10.557 -9.763 1.00 15.00 A H -ATOM 3301 HD22 ASN A 299 -12.188 10.052 -11.410 1.00 15.00 A H -ATOM 3302 C ASN A 299 -8.372 8.943 -8.658 1.00 15.00 A C -ATOM 3303 O ASN A 299 -8.209 8.194 -9.622 1.00 15.00 A O -ATOM 3304 N ARG A 300 -8.457 8.498 -7.420 1.00 15.00 A N -ATOM 3305 HN ARG A 300 -8.613 9.131 -6.690 1.00 15.00 A H -ATOM 3306 CA ARG A 300 -8.299 7.082 -7.119 1.00 15.00 A C -ATOM 3307 HA ARG A 300 -7.601 6.681 -7.832 1.00 15.00 A H -ATOM 3308 CB ARG A 300 -7.705 6.927 -5.729 1.00 15.00 A C -ATOM 3309 HB1 ARG A 300 -7.114 6.026 -5.706 1.00 15.00 A H -ATOM 3310 HB2 ARG A 300 -8.507 6.844 -5.015 1.00 15.00 A H -ATOM 3311 CG ARG A 300 -6.819 8.088 -5.323 1.00 15.00 A C -ATOM 3312 HG1 ARG A 300 -7.433 8.910 -4.998 1.00 15.00 A H -ATOM 3313 HG2 ARG A 300 -6.236 8.392 -6.175 1.00 15.00 A H -ATOM 3314 CD ARG A 300 -5.888 7.690 -4.197 1.00 15.00 A C -ATOM 3315 HD1 ARG A 300 -6.484 7.359 -3.353 1.00 15.00 A H -ATOM 3316 HD2 ARG A 300 -5.292 8.551 -3.920 1.00 15.00 A H -ATOM 3317 NE ARG A 300 -5.005 6.610 -4.607 1.00 15.00 A N -ATOM 3318 HE ARG A 300 -5.401 5.721 -4.709 1.00 15.00 A H -ATOM 3319 CZ ARG A 300 -3.713 6.759 -4.854 1.00 15.00 A C -ATOM 3320 NH1 ARG A 300 -3.136 7.951 -4.726 1.00 15.00 A N -ATOM 3321 HH11 ARG A 300 -2.125 8.066 -4.935 1.00 15.00 A H -ATOM 3322 HH12 ARG A 300 -3.693 8.763 -4.404 1.00 15.00 A H -ATOM 3323 NH2 ARG A 300 -3.001 5.717 -5.247 1.00 15.00 A N -ATOM 3324 HH21 ARG A 300 -3.451 4.784 -5.356 1.00 15.00 A H -ATOM 3325 HH22 ARG A 300 -1.985 5.827 -5.438 1.00 15.00 A H -ATOM 3326 C ARG A 300 -9.592 6.272 -7.200 1.00 15.00 A C -ATOM 3327 O ARG A 300 -10.639 6.687 -6.693 1.00 15.00 A O -ATOM 3328 N PRO A 301 -9.516 5.090 -7.846 1.00 15.00 A N -ATOM 3329 CA PRO A 301 -10.651 4.168 -7.965 1.00 15.00 A C -ATOM 3330 HA PRO A 301 -11.490 4.635 -8.461 1.00 15.00 A H -ATOM 3331 CB PRO A 301 -10.103 3.023 -8.835 1.00 15.00 A C -ATOM 3332 HB1 PRO A 301 -10.832 2.740 -9.576 1.00 15.00 A H -ATOM 3333 HB2 PRO A 301 -9.852 2.173 -8.211 1.00 15.00 A H -ATOM 3334 CG PRO A 301 -8.890 3.571 -9.497 1.00 15.00 A C -ATOM 3335 HG1 PRO A 301 -9.162 4.050 -10.427 1.00 15.00 A H -ATOM 3336 HG2 PRO A 301 -8.178 2.775 -9.676 1.00 15.00 A H -ATOM 3337 CD PRO A 301 -8.323 4.582 -8.551 1.00 15.00 A C -ATOM 3338 HD1 PRO A 301 -7.834 5.371 -9.102 1.00 15.00 A H -ATOM 3339 HD2 PRO A 301 -7.630 4.114 -7.863 1.00 15.00 A H -ATOM 3340 C PRO A 301 -11.094 3.632 -6.597 1.00 15.00 A C -ATOM 3341 O PRO A 301 -10.320 3.627 -5.639 1.00 15.00 A O -ATOM 3342 N VAL A 302 -12.347 3.193 -6.515 1.00 15.00 A N -ATOM 3343 HN VAL A 302 -12.911 3.222 -7.318 1.00 15.00 A H -ATOM 3344 CA VAL A 302 -12.913 2.663 -5.273 1.00 15.00 A C -ATOM 3345 HA VAL A 302 -12.121 2.582 -4.546 1.00 15.00 A H -ATOM 3346 CB VAL A 302 -14.016 3.586 -4.705 1.00 15.00 A C -ATOM 3347 HB VAL A 302 -14.802 3.664 -5.442 1.00 15.00 A H -ATOM 3348 CG1 VAL A 302 -14.615 2.998 -3.435 1.00 15.00 A C -ATOM 3349 HG11 VAL A 302 -14.733 1.931 -3.554 1.00 15.00 A H -ATOM 3350 HG12 VAL A 302 -15.577 3.448 -3.249 1.00 15.00 A H -ATOM 3351 HG13 VAL A 302 -13.957 3.197 -2.602 1.00 15.00 A H -ATOM 3352 CG2 VAL A 302 -13.481 4.979 -4.439 1.00 15.00 A C -ATOM 3353 HG21 VAL A 302 -14.305 5.652 -4.250 1.00 15.00 A H -ATOM 3354 HG22 VAL A 302 -12.925 5.323 -5.298 1.00 15.00 A H -ATOM 3355 HG23 VAL A 302 -12.832 4.956 -3.575 1.00 15.00 A H -ATOM 3356 C VAL A 302 -13.521 1.292 -5.516 1.00 15.00 A C -ATOM 3357 O VAL A 302 -14.467 1.166 -6.279 1.00 15.00 A O -ATOM 3358 N VAL A 303 -12.994 0.269 -4.854 1.00 15.00 A N -ATOM 3359 HN VAL A 303 -12.257 0.429 -4.228 1.00 15.00 A H -ATOM 3360 CA VAL A 303 -13.501 -1.085 -5.032 1.00 15.00 A C -ATOM 3361 HA VAL A 303 -14.193 -1.068 -5.861 1.00 15.00 A H -ATOM 3362 CB VAL A 303 -12.375 -2.076 -5.376 1.00 15.00 A C -ATOM 3363 HB VAL A 303 -11.703 -2.141 -4.534 1.00 15.00 A H -ATOM 3364 CG1 VAL A 303 -12.942 -3.461 -5.646 1.00 15.00 A C -ATOM 3365 HG11 VAL A 303 -12.148 -4.192 -5.610 1.00 15.00 A H -ATOM 3366 HG12 VAL A 303 -13.401 -3.478 -6.624 1.00 15.00 A H -ATOM 3367 HG13 VAL A 303 -13.684 -3.699 -4.896 1.00 15.00 A H -ATOM 3368 CG2 VAL A 303 -11.596 -1.573 -6.577 1.00 15.00 A C -ATOM 3369 HG21 VAL A 303 -10.893 -2.326 -6.894 1.00 15.00 A H -ATOM 3370 HG22 VAL A 303 -11.063 -0.673 -6.305 1.00 15.00 A H -ATOM 3371 HG23 VAL A 303 -12.283 -1.354 -7.381 1.00 15.00 A H -ATOM 3372 C VAL A 303 -14.245 -1.573 -3.798 1.00 15.00 A C -ATOM 3373 O VAL A 303 -13.669 -1.720 -2.719 1.00 15.00 A O -ATOM 3374 N ASP A 304 -15.533 -1.818 -3.979 1.00 15.00 A N -ATOM 3375 HN ASP A 304 -15.923 -1.669 -4.865 1.00 15.00 A H -ATOM 3376 CA ASP A 304 -16.383 -2.309 -2.913 1.00 15.00 A C -ATOM 3377 HA ASP A 304 -15.878 -2.121 -1.980 1.00 15.00 A H -ATOM 3378 CB ASP A 304 -17.713 -1.562 -2.916 1.00 15.00 A C -ATOM 3379 HB1 ASP A 304 -18.484 -2.191 -2.494 1.00 15.00 A H -ATOM 3380 HB2 ASP A 304 -17.975 -1.304 -3.931 1.00 15.00 A H -ATOM 3381 CG ASP A 304 -17.629 -0.290 -2.102 1.00 15.00 A C -ATOM 3382 OD1 ASP A 304 -17.061 -0.340 -0.991 1.00 15.00 A O -ATOM 3383 OD2 ASP A 304 -18.119 0.757 -2.574 1.00 15.00 A O -ATOM 3384 C ASP A 304 -16.578 -3.807 -3.062 1.00 15.00 A C -ATOM 3385 O ASP A 304 -16.982 -4.292 -4.120 1.00 15.00 A O -ATOM 3386 N ILE A 305 -16.280 -4.536 -1.998 1.00 15.00 A N -ATOM 3387 HN ILE A 305 -15.995 -4.086 -1.177 1.00 15.00 A H -ATOM 3388 CA ILE A 305 -16.375 -5.986 -2.020 1.00 15.00 A C -ATOM 3389 HA ILE A 305 -16.682 -6.282 -3.009 1.00 15.00 A H -ATOM 3390 CB ILE A 305 -15.001 -6.636 -1.738 1.00 15.00 A C -ATOM 3391 HB ILE A 305 -14.599 -6.193 -0.840 1.00 15.00 A H -ATOM 3392 CG1 ILE A 305 -14.033 -6.375 -2.892 1.00 15.00 A C -ATOM 3393 HG11 ILE A 305 -14.358 -5.503 -3.440 1.00 15.00 A H -ATOM 3394 HG12 ILE A 305 -14.025 -7.231 -3.552 1.00 15.00 A H -ATOM 3395 CG2 ILE A 305 -15.156 -8.130 -1.491 1.00 15.00 A C -ATOM 3396 HG21 ILE A 305 -15.550 -8.288 -0.498 1.00 15.00 A H -ATOM 3397 HG22 ILE A 305 -14.197 -8.615 -1.581 1.00 15.00 A H -ATOM 3398 HG23 ILE A 305 -15.840 -8.542 -2.217 1.00 15.00 A H -ATOM 3399 CD1 ILE A 305 -12.616 -6.132 -2.431 1.00 15.00 A C -ATOM 3400 HD11 ILE A 305 -12.279 -6.978 -1.853 1.00 15.00 A H -ATOM 3401 HD12 ILE A 305 -12.588 -5.242 -1.821 1.00 15.00 A H -ATOM 3402 HD13 ILE A 305 -11.974 -6.002 -3.289 1.00 15.00 A H -ATOM 3403 C ILE A 305 -17.386 -6.525 -1.016 1.00 15.00 A C -ATOM 3404 O ILE A 305 -17.201 -6.422 0.202 1.00 15.00 A O -ATOM 3405 N ASN A 306 -18.452 -7.105 -1.541 1.00 15.00 A N -ATOM 3406 HN ASN A 306 -18.561 -7.114 -2.516 1.00 15.00 A H -ATOM 3407 CA ASN A 306 -19.469 -7.716 -0.711 1.00 15.00 A C -ATOM 3408 HA ASN A 306 -19.546 -7.138 0.196 1.00 15.00 A H -ATOM 3409 CB ASN A 306 -20.816 -7.709 -1.437 1.00 15.00 A C -ATOM 3410 HB1 ASN A 306 -20.765 -8.369 -2.289 1.00 15.00 A H -ATOM 3411 HB2 ASN A 306 -21.020 -6.704 -1.776 1.00 15.00 A H -ATOM 3412 CG ASN A 306 -21.968 -8.147 -0.556 1.00 15.00 A C -ATOM 3413 OD1 ASN A 306 -21.866 -9.108 0.199 1.00 15.00 A O -ATOM 3414 ND2 ASN A 306 -23.072 -7.426 -0.647 1.00 15.00 A N -ATOM 3415 HD21 ASN A 306 -23.075 -6.668 -1.264 1.00 15.00 A H -ATOM 3416 HD22 ASN A 306 -23.837 -7.681 -0.092 1.00 15.00 A H -ATOM 3417 C ASN A 306 -19.018 -9.129 -0.360 1.00 15.00 A C -ATOM 3418 O ASN A 306 -18.915 -9.996 -1.224 1.00 15.00 A O -ATOM 3419 N MET A 307 -18.719 -9.334 0.919 1.00 15.00 A N -ATOM 3420 HN MET A 307 -18.817 -8.587 1.548 1.00 15.00 A H -ATOM 3421 CA MET A 307 -18.234 -10.622 1.424 1.00 15.00 A C -ATOM 3422 HA MET A 307 -17.424 -10.943 0.787 1.00 15.00 A H -ATOM 3423 CB MET A 307 -17.687 -10.436 2.844 1.00 15.00 A C -ATOM 3424 HB1 MET A 307 -17.372 -11.396 3.226 1.00 15.00 A H -ATOM 3425 HB2 MET A 307 -18.477 -10.052 3.472 1.00 15.00 A H -ATOM 3426 CG MET A 307 -16.509 -9.480 2.933 1.00 15.00 A C -ATOM 3427 HG1 MET A 307 -16.203 -9.403 3.967 1.00 15.00 A H -ATOM 3428 HG2 MET A 307 -16.823 -8.509 2.581 1.00 15.00 A H -ATOM 3429 SD MET A 307 -15.096 -10.019 1.955 1.00 15.00 A S -ATOM 3430 CE MET A 307 -14.582 -11.468 2.875 1.00 15.00 A C -ATOM 3431 HE1 MET A 307 -15.282 -12.273 2.702 1.00 15.00 A H -ATOM 3432 HE2 MET A 307 -14.557 -11.233 3.928 1.00 15.00 A H -ATOM 3433 HE3 MET A 307 -13.598 -11.770 2.550 1.00 15.00 A H -ATOM 3434 C MET A 307 -19.307 -11.713 1.451 1.00 15.00 A C -ATOM 3435 O MET A 307 -18.986 -12.887 1.637 1.00 15.00 A O -ATOM 3436 N GLU A 308 -20.563 -11.341 1.255 1.00 15.00 A N -ATOM 3437 HN GLU A 308 -20.763 -10.398 1.062 1.00 15.00 A H -ATOM 3438 CA GLU A 308 -21.658 -12.308 1.317 1.00 15.00 A C -ATOM 3439 HA GLU A 308 -21.309 -13.144 1.906 1.00 15.00 A H -ATOM 3440 CB GLU A 308 -22.848 -11.680 2.037 1.00 15.00 A C -ATOM 3441 HB1 GLU A 308 -23.678 -12.371 2.020 1.00 15.00 A H -ATOM 3442 HB2 GLU A 308 -23.130 -10.772 1.525 1.00 15.00 A H -ATOM 3443 CG GLU A 308 -22.540 -11.334 3.487 1.00 15.00 A C -ATOM 3444 HG1 GLU A 308 -21.518 -10.990 3.549 1.00 15.00 A H -ATOM 3445 HG2 GLU A 308 -22.654 -12.225 4.087 1.00 15.00 A H -ATOM 3446 CD GLU A 308 -23.448 -10.258 4.044 1.00 15.00 A C -ATOM 3447 OE1 GLU A 308 -23.333 -9.097 3.599 1.00 15.00 A O -ATOM 3448 OE2 GLU A 308 -24.268 -10.572 4.936 1.00 15.00 A O -ATOM 3449 C GLU A 308 -22.072 -12.837 -0.056 1.00 15.00 A C -ATOM 3450 O GLU A 308 -22.345 -14.029 -0.203 1.00 15.00 A O -ATOM 3451 N ASP A 309 -22.114 -11.968 -1.058 1.00 15.00 A N -ATOM 3452 HN ASP A 309 -21.877 -11.029 -0.893 1.00 15.00 A H -ATOM 3453 CA ASP A 309 -22.510 -12.388 -2.402 1.00 15.00 A C -ATOM 3454 HA ASP A 309 -22.958 -13.368 -2.323 1.00 15.00 A H -ATOM 3455 CB ASP A 309 -23.544 -11.420 -2.992 1.00 15.00 A C -ATOM 3456 HB1 ASP A 309 -24.095 -11.927 -3.771 1.00 15.00 A H -ATOM 3457 HB2 ASP A 309 -23.028 -10.574 -3.419 1.00 15.00 A H -ATOM 3458 CG ASP A 309 -24.533 -10.905 -1.963 1.00 15.00 A C -ATOM 3459 OD1 ASP A 309 -25.219 -11.735 -1.331 1.00 15.00 A O -ATOM 3460 OD2 ASP A 309 -24.630 -9.670 -1.801 1.00 15.00 A O -ATOM 3461 C ASP A 309 -21.302 -12.473 -3.332 1.00 15.00 A C -ATOM 3462 O ASP A 309 -21.395 -13.047 -4.421 1.00 15.00 A O -ATOM 3463 N TYR A 310 -20.174 -11.907 -2.876 1.00 15.00 A N -ATOM 3464 HN TYR A 310 -20.191 -11.485 -1.987 1.00 15.00 A H -ATOM 3465 CA TYR A 310 -18.920 -11.861 -3.644 1.00 15.00 A C -ATOM 3466 HA TYR A 310 -18.135 -11.553 -2.972 1.00 15.00 A H -ATOM 3467 CB TYR A 310 -18.554 -13.228 -4.243 1.00 15.00 A C -ATOM 3468 HB1 TYR A 310 -17.616 -13.127 -4.771 1.00 15.00 A H -ATOM 3469 HB2 TYR A 310 -19.319 -13.518 -4.942 1.00 15.00 A H -ATOM 3470 CG TYR A 310 -18.411 -14.352 -3.232 1.00 15.00 A C -ATOM 3471 CD1 TYR A 310 -17.680 -14.178 -2.062 1.00 15.00 A C -ATOM 3472 HD1 TYR A 310 -17.233 -13.211 -1.863 1.00 15.00 A H -ATOM 3473 CD2 TYR A 310 -18.992 -15.596 -3.459 1.00 15.00 A C -ATOM 3474 HD2 TYR A 310 -19.571 -15.748 -4.356 1.00 15.00 A H -ATOM 3475 CE1 TYR A 310 -17.539 -15.206 -1.142 1.00 15.00 A C -ATOM 3476 HE1 TYR A 310 -16.964 -15.050 -0.241 1.00 15.00 A H -ATOM 3477 CE2 TYR A 310 -18.858 -16.623 -2.548 1.00 15.00 A C -ATOM 3478 HE2 TYR A 310 -19.319 -17.578 -2.747 1.00 15.00 A H -ATOM 3479 CZ TYR A 310 -18.125 -16.429 -1.391 1.00 15.00 A C -ATOM 3480 OH TYR A 310 -17.998 -17.458 -0.486 1.00 15.00 A O -ATOM 3481 HH TYR A 310 -17.666 -18.240 -0.946 1.00 15.00 A H -ATOM 3482 C TYR A 310 -19.025 -10.824 -4.760 1.00 15.00 A C -ATOM 3483 O TYR A 310 -18.209 -10.791 -5.685 1.00 15.00 A O -ATOM 3484 N SER A 311 -20.038 -9.973 -4.656 1.00 15.00 A N -ATOM 3485 HN SER A 311 -20.643 -10.048 -3.892 1.00 15.00 A H -ATOM 3486 CA SER A 311 -20.287 -8.933 -5.645 1.00 15.00 A C -ATOM 3487 HA SER A 311 -20.264 -9.389 -6.622 1.00 15.00 A H -ATOM 3488 CB SER A 311 -21.665 -8.314 -5.419 1.00 15.00 A C -ATOM 3489 HB1 SER A 311 -22.162 -8.193 -6.368 1.00 15.00 A H -ATOM 3490 HB2 SER A 311 -21.552 -7.351 -4.947 1.00 15.00 A H -ATOM 3491 OG SER A 311 -22.462 -9.135 -4.588 1.00 15.00 A O -ATOM 3492 HG SER A 311 -22.631 -8.681 -3.758 1.00 15.00 A H -ATOM 3493 C SER A 311 -19.232 -7.842 -5.588 1.00 15.00 A C -ATOM 3494 O SER A 311 -18.730 -7.498 -4.516 1.00 15.00 A O -ATOM 3495 N ILE A 312 -18.904 -7.294 -6.753 1.00 15.00 A N -ATOM 3496 HN ILE A 312 -19.335 -7.614 -7.572 1.00 15.00 A H -ATOM 3497 CA ILE A 312 -17.915 -6.232 -6.839 1.00 15.00 A C -ATOM 3498 HA ILE A 312 -17.570 -6.021 -5.837 1.00 15.00 A H -ATOM 3499 CB ILE A 312 -16.689 -6.628 -7.696 1.00 15.00 A C -ATOM 3500 HB ILE A 312 -16.989 -6.638 -8.734 1.00 15.00 A H -ATOM 3501 CG1 ILE A 312 -16.184 -8.018 -7.302 1.00 15.00 A C -ATOM 3502 HG11 ILE A 312 -15.352 -8.280 -7.937 1.00 15.00 A H -ATOM 3503 HG12 ILE A 312 -16.980 -8.734 -7.441 1.00 15.00 A H -ATOM 3504 CG2 ILE A 312 -15.576 -5.599 -7.534 1.00 15.00 A C -ATOM 3505 HG21 ILE A 312 -14.724 -5.888 -8.132 1.00 15.00 A H -ATOM 3506 HG22 ILE A 312 -15.286 -5.549 -6.496 1.00 15.00 A H -ATOM 3507 HG23 ILE A 312 -15.930 -4.630 -7.854 1.00 15.00 A H -ATOM 3508 CD1 ILE A 312 -15.722 -8.113 -5.863 1.00 15.00 A C -ATOM 3509 HD11 ILE A 312 -14.913 -7.418 -5.695 1.00 15.00 A H -ATOM 3510 HD12 ILE A 312 -15.383 -9.116 -5.657 1.00 15.00 A H -ATOM 3511 HD13 ILE A 312 -16.544 -7.869 -5.203 1.00 15.00 A H -ATOM 3512 C ILE A 312 -18.527 -4.964 -7.412 1.00 15.00 A C -ATOM 3513 O ILE A 312 -19.276 -4.996 -8.386 1.00 15.00 A O -ATOM 3514 N ASP A 313 -18.218 -3.855 -6.771 1.00 15.00 A N -ATOM 3515 HN ASP A 313 -17.651 -3.915 -5.974 1.00 15.00 A H -ATOM 3516 CA ASP A 313 -18.690 -2.553 -7.199 1.00 15.00 A C -ATOM 3517 HA ASP A 313 -19.089 -2.653 -8.196 1.00 15.00 A H -ATOM 3518 CB ASP A 313 -19.780 -2.039 -6.253 1.00 15.00 A C -ATOM 3519 HB1 ASP A 313 -19.346 -1.857 -5.280 1.00 15.00 A H -ATOM 3520 HB2 ASP A 313 -20.548 -2.793 -6.160 1.00 15.00 A H -ATOM 3521 CG ASP A 313 -20.427 -0.758 -6.742 1.00 15.00 A C -ATOM 3522 OD1 ASP A 313 -20.572 -0.598 -7.974 1.00 15.00 A O -ATOM 3523 OD2 ASP A 313 -20.791 0.084 -5.895 1.00 15.00 A O -ATOM 3524 C ASP A 313 -17.507 -1.604 -7.229 1.00 15.00 A C -ATOM 3525 O ASP A 313 -16.556 -1.785 -6.477 1.00 15.00 A O -ATOM 3526 N SER A 314 -17.528 -0.623 -8.116 1.00 15.00 A N -ATOM 3527 HN SER A 314 -18.291 -0.525 -8.726 1.00 15.00 A H -ATOM 3528 CA SER A 314 -16.413 0.302 -8.183 1.00 15.00 A C -ATOM 3529 HA SER A 314 -16.052 0.429 -7.175 1.00 15.00 A H -ATOM 3530 CB SER A 314 -15.280 -0.282 -9.023 1.00 15.00 A C -ATOM 3531 HB1 SER A 314 -15.122 -1.312 -8.739 1.00 15.00 A H -ATOM 3532 HB2 SER A 314 -14.378 0.283 -8.846 1.00 15.00 A H -ATOM 3533 OG SER A 314 -15.586 -0.232 -10.401 1.00 15.00 A O -ATOM 3534 HG SER A 314 -15.106 -0.924 -10.861 1.00 15.00 A H -ATOM 3535 C SER A 314 -16.808 1.671 -8.709 1.00 15.00 A C -ATOM 3536 O SER A 314 -17.743 1.823 -9.493 1.00 15.00 A O -ATOM 3537 N SER A 315 -16.068 2.660 -8.234 1.00 15.00 A N -ATOM 3538 HN SER A 315 -15.363 2.444 -7.586 1.00 15.00 A H -ATOM 3539 CA SER A 315 -16.256 4.046 -8.612 1.00 15.00 A C -ATOM 3540 HA SER A 315 -16.513 4.078 -9.660 1.00 15.00 A H -ATOM 3541 CB SER A 315 -17.390 4.660 -7.786 1.00 15.00 A C -ATOM 3542 HB1 SER A 315 -18.340 4.335 -8.182 1.00 15.00 A H -ATOM 3543 HB2 SER A 315 -17.331 5.733 -7.840 1.00 15.00 A H -ATOM 3544 OG SER A 315 -17.298 4.267 -6.425 1.00 15.00 A O -ATOM 3545 HG SER A 315 -17.207 3.312 -6.369 1.00 15.00 A H -ATOM 3546 C SER A 315 -14.951 4.809 -8.385 1.00 15.00 A C -ATOM 3547 O SER A 315 -13.870 4.233 -8.461 1.00 15.00 A O -ATOM 3548 N TYR A 316 -15.051 6.110 -8.139 1.00 15.00 A N -ATOM 3549 HN TYR A 316 -15.939 6.525 -8.129 1.00 15.00 A H -ATOM 3550 CA TYR A 316 -13.879 6.942 -7.878 1.00 15.00 A C -ATOM 3551 HA TYR A 316 -13.060 6.288 -7.631 1.00 15.00 A H -ATOM 3552 CB TYR A 316 -13.503 7.782 -9.113 1.00 15.00 A C -ATOM 3553 HB1 TYR A 316 -12.822 8.568 -8.812 1.00 15.00 A H -ATOM 3554 HB2 TYR A 316 -14.403 8.232 -9.513 1.00 15.00 A H -ATOM 3555 CG TYR A 316 -12.839 6.989 -10.229 1.00 15.00 A C -ATOM 3556 CD1 TYR A 316 -13.581 6.142 -11.041 1.00 15.00 A C -ATOM 3557 HD1 TYR A 316 -14.654 6.059 -10.878 1.00 15.00 A H -ATOM 3558 CD2 TYR A 316 -11.469 7.090 -10.464 1.00 15.00 A C -ATOM 3559 HD2 TYR A 316 -10.886 7.753 -9.843 1.00 15.00 A H -ATOM 3560 CE1 TYR A 316 -12.983 5.430 -12.061 1.00 15.00 A C -ATOM 3561 HE1 TYR A 316 -13.577 4.779 -12.683 1.00 15.00 A H -ATOM 3562 CE2 TYR A 316 -10.862 6.382 -11.481 1.00 15.00 A C -ATOM 3563 HE2 TYR A 316 -9.807 6.480 -11.644 1.00 15.00 A H -ATOM 3564 CZ TYR A 316 -11.627 5.544 -12.275 1.00 15.00 A C -ATOM 3565 OH TYR A 316 -11.041 4.849 -13.310 1.00 15.00 A O -ATOM 3566 HH TYR A 316 -10.109 4.676 -13.097 1.00 15.00 A H -ATOM 3567 C TYR A 316 -14.172 7.844 -6.685 1.00 15.00 A C -ATOM 3568 O TYR A 316 -15.337 8.129 -6.398 1.00 15.00 A O -ATOM 3569 N VAL A 317 -13.132 8.275 -5.982 1.00 15.00 A N -ATOM 3570 HN VAL A 317 -12.229 8.005 -6.244 1.00 15.00 A H -ATOM 3571 CA VAL A 317 -13.320 9.138 -4.816 1.00 15.00 A C -ATOM 3572 HA VAL A 317 -14.101 8.692 -4.223 1.00 15.00 A H -ATOM 3573 CB VAL A 317 -12.051 9.217 -3.935 1.00 15.00 A C -ATOM 3574 HB VAL A 317 -12.183 10.020 -3.227 1.00 15.00 A H -ATOM 3575 CG1 VAL A 317 -11.865 7.927 -3.147 1.00 15.00 A C -ATOM 3576 HG11 VAL A 317 -12.809 7.628 -2.716 1.00 15.00 A H -ATOM 3577 HG12 VAL A 317 -11.145 8.085 -2.358 1.00 15.00 A H -ATOM 3578 HG13 VAL A 317 -11.508 7.147 -3.805 1.00 15.00 A H -ATOM 3579 CG2 VAL A 317 -10.812 9.519 -4.770 1.00 15.00 A C -ATOM 3580 HG21 VAL A 317 -10.860 10.534 -5.132 1.00 15.00 A H -ATOM 3581 HG22 VAL A 317 -10.764 8.839 -5.608 1.00 15.00 A H -ATOM 3582 HG23 VAL A 317 -9.929 9.397 -4.159 1.00 15.00 A H -ATOM 3583 C VAL A 317 -13.779 10.546 -5.217 1.00 15.00 A C -ATOM 3584 O VAL A 317 -13.069 11.280 -5.905 1.00 15.00 A O -ATOM 3585 N CYS A 318 -14.988 10.892 -4.758 1.00 15.00 A N -ATOM 3586 HN CYS A 318 -15.467 10.248 -4.198 1.00 15.00 A H -ATOM 3587 CA CYS A 318 -15.649 12.178 -5.042 1.00 15.00 A C -ATOM 3588 HA CYS A 318 -15.981 12.159 -6.070 1.00 15.00 A H -ATOM 3589 HB1 CYS A 318 -17.187 13.360 -4.120 1.00 15.00 A H -ATOM 3590 HB2 CYS A 318 -16.634 12.001 -3.145 1.00 15.00 A H -ATOM 3591 C CYS A 318 -14.752 13.399 -4.848 1.00 15.00 A C -ATOM 3592 O CYS A 318 -14.839 14.351 -5.623 1.00 15.00 A O -ATOM 3593 CB CYS A 318 -16.884 12.323 -4.144 1.00 15.00 A C -ATOM 3594 SG CYS A 318 -18.316 11.349 -4.693 1.00 15.00 A S -ATOM 3595 N SER A 319 -13.908 13.358 -3.816 1.00 15.00 A N -ATOM 3596 HN SER A 319 -13.885 12.550 -3.258 1.00 15.00 A H -ATOM 3597 CA SER A 319 -13.011 14.464 -3.481 1.00 15.00 A C -ATOM 3598 HA SER A 319 -13.606 15.226 -2.997 1.00 15.00 A H -ATOM 3599 CB SER A 319 -11.947 13.985 -2.488 1.00 15.00 A C -ATOM 3600 HB1 SER A 319 -11.617 12.995 -2.766 1.00 15.00 A H -ATOM 3601 HB2 SER A 319 -12.378 13.952 -1.496 1.00 15.00 A H -ATOM 3602 OG SER A 319 -10.831 14.854 -2.460 1.00 15.00 A O -ATOM 3603 HG SER A 319 -10.118 14.441 -1.965 1.00 15.00 A H -ATOM 3604 C SER A 319 -12.357 15.085 -4.717 1.00 15.00 A C -ATOM 3605 O SER A 319 -11.623 14.424 -5.454 1.00 15.00 A O -ATOM 3606 N GLY A 320 -12.644 16.374 -4.927 1.00 15.00 A N -ATOM 3607 HN GLY A 320 -13.232 16.840 -4.293 1.00 15.00 A H -ATOM 3608 CA GLY A 320 -12.101 17.106 -6.059 1.00 15.00 A C -ATOM 3609 HA1 GLY A 320 -12.672 18.013 -6.200 1.00 15.00 A H -ATOM 3610 HA2 GLY A 320 -12.186 16.496 -6.946 1.00 15.00 A H -ATOM 3611 C GLY A 320 -10.653 17.469 -5.853 1.00 15.00 A C -ATOM 3612 O GLY A 320 -9.995 17.982 -6.757 1.00 15.00 A O -ATOM 3613 N LEU A 321 -10.162 17.213 -4.646 1.00 15.00 A N -ATOM 3614 HN LEU A 321 -10.749 16.823 -3.964 1.00 15.00 A H -ATOM 3615 CA LEU A 321 -8.780 17.490 -4.321 1.00 15.00 A C -ATOM 3616 HA LEU A 321 -8.548 18.467 -4.709 1.00 15.00 A H -ATOM 3617 CB LEU A 321 -8.582 17.511 -2.803 1.00 15.00 A C -ATOM 3618 HB1 LEU A 321 -7.557 17.256 -2.585 1.00 15.00 A H -ATOM 3619 HB2 LEU A 321 -9.233 16.768 -2.361 1.00 15.00 A H -ATOM 3620 CG LEU A 321 -8.891 18.871 -2.165 1.00 15.00 A C -ATOM 3621 HG LEU A 321 -9.884 19.173 -2.454 1.00 15.00 A H -ATOM 3622 CD1 LEU A 321 -8.854 18.800 -0.649 1.00 15.00 A C -ATOM 3623 HD11 LEU A 321 -8.982 19.792 -0.243 1.00 15.00 A H -ATOM 3624 HD12 LEU A 321 -7.904 18.400 -0.326 1.00 15.00 A H -ATOM 3625 HD13 LEU A 321 -9.651 18.163 -0.299 1.00 15.00 A H -ATOM 3626 CD2 LEU A 321 -7.920 19.919 -2.677 1.00 15.00 A C -ATOM 3627 HD21 LEU A 321 -8.344 20.414 -3.537 1.00 15.00 A H -ATOM 3628 HD22 LEU A 321 -6.993 19.441 -2.964 1.00 15.00 A H -ATOM 3629 HD23 LEU A 321 -7.724 20.646 -1.901 1.00 15.00 A H -ATOM 3630 C LEU A 321 -7.874 16.476 -5.010 1.00 15.00 A C -ATOM 3631 O LEU A 321 -6.799 16.835 -5.497 1.00 15.00 A O -ATOM 3632 N VAL A 322 -8.323 15.211 -5.052 1.00 15.00 A N -ATOM 3633 HN VAL A 322 -9.174 14.995 -4.612 1.00 15.00 A H -ATOM 3634 CA VAL A 322 -7.587 14.136 -5.735 1.00 15.00 A C -ATOM 3635 HA VAL A 322 -8.209 13.254 -5.692 1.00 15.00 A H -ATOM 3636 CB VAL A 322 -7.404 14.513 -7.234 1.00 15.00 A C -ATOM 3637 HB VAL A 322 -7.279 15.588 -7.305 1.00 15.00 A H -ATOM 3638 CG1 VAL A 322 -6.180 13.853 -7.848 1.00 15.00 A C -ATOM 3639 HG11 VAL A 322 -5.844 14.434 -8.693 1.00 15.00 A H -ATOM 3640 HG12 VAL A 322 -6.437 12.857 -8.179 1.00 15.00 A H -ATOM 3641 HG13 VAL A 322 -5.391 13.795 -7.113 1.00 15.00 A H -ATOM 3642 CG2 VAL A 322 -8.671 14.139 -8.002 1.00 15.00 A C -ATOM 3643 HG21 VAL A 322 -9.517 14.659 -7.578 1.00 15.00 A H -ATOM 3644 HG22 VAL A 322 -8.834 13.075 -7.927 1.00 15.00 A H -ATOM 3645 HG23 VAL A 322 -8.565 14.413 -9.041 1.00 15.00 A H -ATOM 3646 C VAL A 322 -6.244 13.806 -5.044 1.00 15.00 A C -ATOM 3647 O VAL A 322 -5.527 14.698 -4.590 1.00 15.00 A O -ATOM 3648 N GLY A 323 -5.888 12.513 -4.968 1.00 15.00 A N -ATOM 3649 HN GLY A 323 -6.452 11.817 -5.374 1.00 15.00 A H -ATOM 3650 CA GLY A 323 -4.660 12.156 -4.265 1.00 15.00 A C -ATOM 3651 HA1 GLY A 323 -4.932 11.559 -3.402 1.00 15.00 A H -ATOM 3652 HA2 GLY A 323 -4.207 13.066 -3.904 1.00 15.00 A H -ATOM 3653 C GLY A 323 -3.602 11.391 -5.064 1.00 15.00 A C -ATOM 3654 O GLY A 323 -2.601 10.979 -4.475 1.00 15.00 A O -ATOM 3655 N ASP A 324 -3.768 11.202 -6.377 1.00 15.00 A N -ATOM 3656 HN ASP A 324 -4.557 11.571 -6.832 1.00 15.00 A H -ATOM 3657 CA ASP A 324 -2.753 10.453 -7.143 1.00 15.00 A C -ATOM 3658 HA ASP A 324 -2.330 9.722 -6.469 1.00 15.00 A H -ATOM 3659 CB ASP A 324 -3.358 9.709 -8.341 1.00 15.00 A C -ATOM 3660 HB1 ASP A 324 -3.347 10.362 -9.203 1.00 15.00 A H -ATOM 3661 HB2 ASP A 324 -4.375 9.435 -8.115 1.00 15.00 A H -ATOM 3662 CG ASP A 324 -2.587 8.445 -8.693 1.00 15.00 A C -ATOM 3663 OD1 ASP A 324 -1.673 8.073 -7.927 1.00 15.00 A O -ATOM 3664 OD2 ASP A 324 -2.899 7.828 -9.733 1.00 15.00 A O -ATOM 3665 C ASP A 324 -1.620 11.358 -7.621 1.00 15.00 A C -ATOM 3666 O ASP A 324 -1.700 12.582 -7.524 1.00 15.00 A O -ATOM 3667 N THR A 325 -0.559 10.732 -8.126 1.00 15.00 A N -ATOM 3668 HN THR A 325 -0.566 9.754 -8.171 1.00 15.00 A H -ATOM 3669 CA THR A 325 0.611 11.447 -8.618 1.00 15.00 A C -ATOM 3670 HA THR A 325 0.306 12.444 -8.898 1.00 15.00 A H -ATOM 3671 CB THR A 325 1.689 11.546 -7.521 1.00 15.00 A C -ATOM 3672 HB THR A 325 2.147 10.575 -7.396 1.00 15.00 A H -ATOM 3673 OG1 THR A 325 1.089 11.940 -6.279 1.00 15.00 A O -ATOM 3674 HG1 THR A 325 1.778 12.160 -5.647 1.00 15.00 A H -ATOM 3675 CG2 THR A 325 2.766 12.547 -7.896 1.00 15.00 A C -ATOM 3676 HG21 THR A 325 3.562 12.508 -7.168 1.00 15.00 A H -ATOM 3677 HG22 THR A 325 2.342 13.541 -7.914 1.00 15.00 A H -ATOM 3678 HG23 THR A 325 3.158 12.305 -8.873 1.00 15.00 A H -ATOM 3679 C THR A 325 1.187 10.734 -9.845 1.00 15.00 A C -ATOM 3680 O THR A 325 1.506 9.553 -9.767 1.00 15.00 A O -ATOM 3681 N PRO A 326 1.365 11.439 -10.986 1.00 15.00 A N -ATOM 3682 CA PRO A 326 1.058 12.878 -11.139 1.00 15.00 A C -ATOM 3683 HA PRO A 326 1.746 13.473 -10.556 1.00 15.00 A H -ATOM 3684 CB PRO A 326 1.321 13.138 -12.620 1.00 15.00 A C -ATOM 3685 HB1 PRO A 326 1.745 14.118 -12.752 1.00 15.00 A H -ATOM 3686 HB2 PRO A 326 0.397 13.045 -13.180 1.00 15.00 A H -ATOM 3687 CG PRO A 326 2.297 12.097 -13.026 1.00 15.00 A C -ATOM 3688 HG1 PRO A 326 3.298 12.416 -12.778 1.00 15.00 A H -ATOM 3689 HG2 PRO A 326 2.209 11.905 -14.089 1.00 15.00 A H -ATOM 3690 CD PRO A 326 1.935 10.876 -12.234 1.00 15.00 A C -ATOM 3691 HD1 PRO A 326 2.818 10.291 -12.026 1.00 15.00 A H -ATOM 3692 HD2 PRO A 326 1.204 10.282 -12.770 1.00 15.00 A H -ATOM 3693 C PRO A 326 -0.373 13.306 -10.792 1.00 15.00 A C -ATOM 3694 O PRO A 326 -1.291 12.496 -10.656 1.00 15.00 A O -ATOM 3695 N ARG A 327 -0.527 14.623 -10.690 1.00 15.00 A N -ATOM 3696 HN ARG A 327 0.254 15.189 -10.863 1.00 15.00 A H -ATOM 3697 CA ARG A 327 -1.779 15.277 -10.344 1.00 15.00 A C -ATOM 3698 HA ARG A 327 -2.605 14.685 -10.712 1.00 15.00 A H -ATOM 3699 CB ARG A 327 -1.847 15.389 -8.818 1.00 15.00 A C -ATOM 3700 HB1 ARG A 327 -1.002 15.967 -8.476 1.00 15.00 A H -ATOM 3701 HB2 ARG A 327 -1.769 14.397 -8.398 1.00 15.00 A H -ATOM 3702 CG ARG A 327 -3.104 16.025 -8.258 1.00 15.00 A C -ATOM 3703 HG1 ARG A 327 -3.908 15.304 -8.285 1.00 15.00 A H -ATOM 3704 HG2 ARG A 327 -3.366 16.891 -8.851 1.00 15.00 A H -ATOM 3705 CD ARG A 327 -2.864 16.448 -6.818 1.00 15.00 A C -ATOM 3706 HD1 ARG A 327 -3.812 16.583 -6.324 1.00 15.00 A H -ATOM 3707 HD2 ARG A 327 -2.320 17.381 -6.819 1.00 15.00 A H -ATOM 3708 NE ARG A 327 -2.080 15.435 -6.105 1.00 15.00 A N -ATOM 3709 HE ARG A 327 -2.349 14.499 -6.220 1.00 15.00 A H -ATOM 3710 CZ ARG A 327 -1.039 15.702 -5.317 1.00 15.00 A C -ATOM 3711 NH1 ARG A 327 -0.634 16.951 -5.123 1.00 15.00 A N -ATOM 3712 HH11 ARG A 327 -1.132 17.738 -5.585 1.00 15.00 A H -ATOM 3713 HH12 ARG A 327 0.178 17.143 -4.500 1.00 15.00 A H -ATOM 3714 NH2 ARG A 327 -0.372 14.705 -4.752 1.00 15.00 A N -ATOM 3715 HH21 ARG A 327 0.443 14.907 -4.138 1.00 15.00 A H -ATOM 3716 HH22 ARG A 327 -0.665 13.721 -4.920 1.00 15.00 A H -ATOM 3717 C ARG A 327 -1.792 16.664 -10.994 1.00 15.00 A C -ATOM 3718 O ARG A 327 -0.724 17.235 -11.216 1.00 15.00 A O -ATOM 3719 N ASN A 328 -2.961 17.212 -11.318 1.00 15.00 A N -ATOM 3720 HN ASN A 328 -3.797 16.731 -11.136 1.00 15.00 A H -ATOM 3721 CA ASN A 328 -3.006 18.538 -11.944 1.00 15.00 A C -ATOM 3722 HA ASN A 328 -2.301 18.534 -12.764 1.00 15.00 A H -ATOM 3723 CB ASN A 328 -4.400 18.846 -12.491 1.00 15.00 A C -ATOM 3724 HB1 ASN A 328 -4.722 19.808 -12.117 1.00 15.00 A H -ATOM 3725 HB2 ASN A 328 -5.092 18.086 -12.160 1.00 15.00 A H -ATOM 3726 CG ASN A 328 -4.419 18.890 -14.009 1.00 15.00 A C -ATOM 3727 OD1 ASN A 328 -3.413 18.614 -14.660 1.00 15.00 A O -ATOM 3728 ND2 ASN A 328 -5.566 19.233 -14.579 1.00 15.00 A N -ATOM 3729 HD21 ASN A 328 -6.331 19.429 -13.996 1.00 15.00 A H -ATOM 3730 HD22 ASN A 328 -5.600 19.284 -15.555 1.00 15.00 A H -ATOM 3731 C ASN A 328 -2.596 19.620 -10.955 1.00 15.00 A C -ATOM 3732 O ASN A 328 -1.563 20.261 -11.134 1.00 15.00 A O -ATOM 3733 N ASP A 329 -3.443 19.790 -9.936 1.00 15.00 A N -ATOM 3734 HN ASP A 329 -4.236 19.216 -9.915 1.00 15.00 A H -ATOM 3735 CA ASP A 329 -3.287 20.760 -8.839 1.00 15.00 A C -ATOM 3736 HA ASP A 329 -2.740 20.257 -8.049 1.00 15.00 A H -ATOM 3737 CB ASP A 329 -2.519 22.042 -9.239 1.00 15.00 A C -ATOM 3738 HB1 ASP A 329 -1.574 21.751 -9.674 1.00 15.00 A H -ATOM 3739 HB2 ASP A 329 -2.325 22.620 -8.354 1.00 15.00 A H -ATOM 3740 CG ASP A 329 -3.239 22.929 -10.241 1.00 15.00 A C -ATOM 3741 OD1 ASP A 329 -4.251 23.549 -9.866 1.00 15.00 A O -ATOM 3742 OD2 ASP A 329 -2.767 23.028 -11.395 1.00 15.00 A O -ATOM 3743 C ASP A 329 -4.683 21.087 -8.310 1.00 15.00 A C -ATOM 3744 O ASP A 329 -5.650 21.032 -9.064 1.00 15.00 A O -ATOM 3745 N ASP A 330 -4.784 21.430 -7.025 1.00 15.00 A N -ATOM 3746 HN ASP A 330 -3.970 21.498 -6.487 1.00 15.00 A H -ATOM 3747 CA ASP A 330 -6.083 21.704 -6.384 1.00 15.00 A C -ATOM 3748 HA ASP A 330 -6.633 20.772 -6.390 1.00 15.00 A H -ATOM 3749 CB ASP A 330 -5.878 22.110 -4.919 1.00 15.00 A C -ATOM 3750 HB1 ASP A 330 -6.842 22.186 -4.434 1.00 15.00 A H -ATOM 3751 HB2 ASP A 330 -5.379 23.065 -4.876 1.00 15.00 A H -ATOM 3752 CG ASP A 330 -5.045 21.091 -4.162 1.00 15.00 A C -ATOM 3753 OD1 ASP A 330 -5.009 19.919 -4.589 1.00 15.00 A O -ATOM 3754 OD2 ASP A 330 -4.430 21.463 -3.140 1.00 15.00 A O -ATOM 3755 C ASP A 330 -6.946 22.755 -7.106 1.00 15.00 A C -ATOM 3756 O ASP A 330 -8.162 22.784 -6.910 1.00 15.00 A O -ATOM 3757 N ARG A 331 -6.345 23.604 -7.945 1.00 15.00 A N -ATOM 3758 HN ARG A 331 -5.376 23.539 -8.087 1.00 15.00 A H -ATOM 3759 CA ARG A 331 -7.119 24.630 -8.664 1.00 15.00 A C -ATOM 3760 HA ARG A 331 -7.895 24.970 -7.998 1.00 15.00 A H -ATOM 3761 CB ARG A 331 -6.231 25.832 -9.038 1.00 15.00 A C -ATOM 3762 HB1 ARG A 331 -5.889 25.704 -10.056 1.00 15.00 A H -ATOM 3763 HB2 ARG A 331 -5.374 25.852 -8.381 1.00 15.00 A H -ATOM 3764 CG ARG A 331 -6.937 27.185 -8.945 1.00 15.00 A C -ATOM 3765 HG1 ARG A 331 -7.385 27.281 -7.969 1.00 15.00 A H -ATOM 3766 HG2 ARG A 331 -7.707 27.233 -9.703 1.00 15.00 A H -ATOM 3767 CD ARG A 331 -5.962 28.340 -9.161 1.00 15.00 A C -ATOM 3768 HD1 ARG A 331 -5.605 28.306 -10.178 1.00 15.00 A H -ATOM 3769 HD2 ARG A 331 -5.132 28.219 -8.484 1.00 15.00 A H -ATOM 3770 NE ARG A 331 -6.579 29.649 -8.924 1.00 15.00 A N -ATOM 3771 HE ARG A 331 -7.405 29.671 -8.400 1.00 15.00 A H -ATOM 3772 CZ ARG A 331 -6.076 30.800 -9.373 1.00 15.00 A C -ATOM 3773 NH1 ARG A 331 -4.968 30.806 -10.098 1.00 15.00 A N -ATOM 3774 HH11 ARG A 331 -4.479 29.914 -10.311 1.00 15.00 A H -ATOM 3775 HH12 ARG A 331 -4.579 31.706 -10.449 1.00 15.00 A H -ATOM 3776 NH2 ARG A 331 -6.685 31.946 -9.100 1.00 15.00 A N -ATOM 3777 HH21 ARG A 331 -7.551 31.951 -8.526 1.00 15.00 A H -ATOM 3778 HH22 ARG A 331 -6.292 32.842 -9.457 1.00 15.00 A H -ATOM 3779 C ARG A 331 -7.780 24.065 -9.931 1.00 15.00 A C -ATOM 3780 O ARG A 331 -8.933 24.384 -10.222 1.00 15.00 A O -ATOM 3781 N SER A 332 -7.055 23.222 -10.678 1.00 15.00 A N -ATOM 3782 HN SER A 332 -6.147 22.991 -10.396 1.00 15.00 A H -ATOM 3783 CA SER A 332 -7.588 22.645 -11.922 1.00 15.00 A C -ATOM 3784 HA SER A 332 -8.576 23.055 -12.070 1.00 15.00 A H -ATOM 3785 CB SER A 332 -6.710 23.062 -13.110 1.00 15.00 A C -ATOM 3786 HB1 SER A 332 -6.991 24.054 -13.429 1.00 15.00 A H -ATOM 3787 HB2 SER A 332 -6.856 22.369 -13.927 1.00 15.00 A H -ATOM 3788 OG SER A 332 -5.338 23.067 -12.762 1.00 15.00 A O -ATOM 3789 HG SER A 332 -4.924 22.255 -13.070 1.00 15.00 A H -ATOM 3790 C SER A 332 -7.710 21.111 -11.869 1.00 15.00 A C -ATOM 3791 O SER A 332 -7.437 20.427 -12.856 1.00 15.00 A O -ATOM 3792 N SER A 333 -8.135 20.583 -10.725 1.00 15.00 A N -ATOM 3793 HN SER A 333 -8.320 21.173 -9.968 1.00 15.00 A H -ATOM 3794 CA SER A 333 -8.318 19.135 -10.560 1.00 15.00 A C -ATOM 3795 HA SER A 333 -7.987 18.650 -11.465 1.00 15.00 A H -ATOM 3796 CB SER A 333 -7.485 18.624 -9.385 1.00 15.00 A C -ATOM 3797 HB1 SER A 333 -6.442 18.833 -9.573 1.00 15.00 A H -ATOM 3798 HB2 SER A 333 -7.626 17.558 -9.282 1.00 15.00 A H -ATOM 3799 OG SER A 333 -7.869 19.260 -8.175 1.00 15.00 A O -ATOM 3800 HG SER A 333 -8.628 19.825 -8.336 1.00 15.00 A H -ATOM 3801 C SER A 333 -9.793 18.807 -10.337 1.00 15.00 A C -ATOM 3802 O SER A 333 -10.481 19.520 -9.617 1.00 15.00 A O -ATOM 3803 N ASN A 334 -10.282 17.725 -10.943 1.00 15.00 A N -ATOM 3804 HN ASN A 334 -9.691 17.169 -11.499 1.00 15.00 A H -ATOM 3805 CA ASN A 334 -11.693 17.361 -10.795 1.00 15.00 A C -ATOM 3806 HA ASN A 334 -12.068 17.901 -9.943 1.00 15.00 A H -ATOM 3807 CB ASN A 334 -12.491 17.801 -12.032 1.00 15.00 A C -ATOM 3808 HB1 ASN A 334 -13.530 17.543 -11.889 1.00 15.00 A H -ATOM 3809 HB2 ASN A 334 -12.113 17.282 -12.899 1.00 15.00 A H -ATOM 3810 CG ASN A 334 -12.398 19.294 -12.288 1.00 15.00 A C -ATOM 3811 OD1 ASN A 334 -11.531 19.756 -13.033 1.00 15.00 A O -ATOM 3812 ND2 ASN A 334 -13.289 20.061 -11.672 1.00 15.00 A N -ATOM 3813 HD21 ASN A 334 -13.953 19.629 -11.095 1.00 15.00 A H -ATOM 3814 HD22 ASN A 334 -13.245 21.029 -11.818 1.00 15.00 A H -ATOM 3815 C ASN A 334 -11.916 15.865 -10.547 1.00 15.00 A C -ATOM 3816 O ASN A 334 -11.001 15.049 -10.659 1.00 15.00 A O -ATOM 3817 N SER A 335 -13.158 15.541 -10.176 1.00 15.00 A N -ATOM 3818 HN SER A 335 -13.812 16.262 -10.065 1.00 15.00 A H -ATOM 3819 CA SER A 335 -13.593 14.169 -9.914 1.00 15.00 A C -ATOM 3820 HA SER A 335 -13.283 13.556 -10.747 1.00 15.00 A H -ATOM 3821 CB SER A 335 -12.973 13.624 -8.624 1.00 15.00 A C -ATOM 3822 HB1 SER A 335 -13.344 14.188 -7.781 1.00 15.00 A H -ATOM 3823 HB2 SER A 335 -11.898 13.713 -8.677 1.00 15.00 A H -ATOM 3824 OG SER A 335 -13.307 12.260 -8.444 1.00 15.00 A O -ATOM 3825 HG SER A 335 -14.253 12.147 -8.552 1.00 15.00 A H -ATOM 3826 C SER A 335 -15.116 14.138 -9.818 1.00 15.00 A C -ATOM 3827 O SER A 335 -15.711 14.938 -9.096 1.00 15.00 A O -ATOM 3828 N ASN A 336 -15.754 13.217 -10.540 1.00 15.00 A N -ATOM 3829 HN ASN A 336 -15.240 12.581 -11.082 1.00 15.00 A H -ATOM 3830 CA ASN A 336 -17.213 13.146 -10.535 1.00 15.00 A C -ATOM 3831 HA ASN A 336 -17.565 13.989 -9.958 1.00 15.00 A H -ATOM 3832 CB ASN A 336 -17.758 13.288 -11.962 1.00 15.00 A C -ATOM 3833 HB1 ASN A 336 -17.302 14.153 -12.424 1.00 15.00 A H -ATOM 3834 HB2 ASN A 336 -18.826 13.439 -11.914 1.00 15.00 A H -ATOM 3835 CG ASN A 336 -17.488 12.081 -12.841 1.00 15.00 A C -ATOM 3836 OD1 ASN A 336 -16.511 11.355 -12.654 1.00 15.00 A O -ATOM 3837 ND2 ASN A 336 -18.356 11.868 -13.820 1.00 15.00 A N -ATOM 3838 HD21 ASN A 336 -19.105 12.494 -13.918 1.00 15.00 A H -ATOM 3839 HD22 ASN A 336 -18.216 11.094 -14.404 1.00 15.00 A H -ATOM 3840 C ASN A 336 -17.737 11.872 -9.868 1.00 15.00 A C -ATOM 3841 O ASN A 336 -18.913 11.534 -10.012 1.00 15.00 A O -ATOM 3842 N CYS A 337 -16.846 11.174 -9.147 1.00 15.00 A N -ATOM 3843 HN CYS A 337 -15.921 11.492 -9.118 1.00 15.00 A H -ATOM 3844 CA CYS A 337 -17.193 9.951 -8.396 1.00 15.00 A C -ATOM 3845 HA CYS A 337 -16.352 9.707 -7.772 1.00 15.00 A H -ATOM 3846 HB1 CYS A 337 -18.432 9.432 -6.725 1.00 15.00 A H -ATOM 3847 HB2 CYS A 337 -19.307 10.123 -8.087 1.00 15.00 A H -ATOM 3848 C CYS A 337 -17.504 8.743 -9.282 1.00 15.00 A C -ATOM 3849 O CYS A 337 -17.783 7.666 -8.762 1.00 15.00 A O -ATOM 3850 CB CYS A 337 -18.409 10.194 -7.491 1.00 15.00 A C -ATOM 3851 SG CYS A 337 -18.439 11.812 -6.661 1.00 15.00 A S -ATOM 3852 N ARG A 338 -17.459 8.900 -10.600 1.00 15.00 A N -ATOM 3853 HN ARG A 338 -17.196 9.763 -10.982 1.00 15.00 A H -ATOM 3854 CA ARG A 338 -17.808 7.787 -11.478 1.00 15.00 A C -ATOM 3855 HA ARG A 338 -17.983 6.927 -10.847 1.00 15.00 A H -ATOM 3856 CB ARG A 338 -19.111 8.098 -12.218 1.00 15.00 A C -ATOM 3857 HB1 ARG A 338 -19.282 7.340 -12.969 1.00 15.00 A H -ATOM 3858 HB2 ARG A 338 -19.024 9.061 -12.698 1.00 15.00 A H -ATOM 3859 CG ARG A 338 -20.318 8.130 -11.296 1.00 15.00 A C -ATOM 3860 HG1 ARG A 338 -20.013 8.540 -10.344 1.00 15.00 A H -ATOM 3861 HG2 ARG A 338 -20.680 7.123 -11.155 1.00 15.00 A H -ATOM 3862 CD ARG A 338 -21.445 8.984 -11.858 1.00 15.00 A C -ATOM 3863 HD1 ARG A 338 -21.292 10.003 -11.539 1.00 15.00 A H -ATOM 3864 HD2 ARG A 338 -22.382 8.621 -11.460 1.00 15.00 A H -ATOM 3865 NE ARG A 338 -21.516 8.946 -13.318 1.00 15.00 A N -ATOM 3866 HE ARG A 338 -21.612 8.066 -13.747 1.00 15.00 A H -ATOM 3867 CZ ARG A 338 -21.465 10.032 -14.091 1.00 15.00 A C -ATOM 3868 NH1 ARG A 338 -21.324 11.239 -13.550 1.00 15.00 A N -ATOM 3869 HH11 ARG A 338 -21.243 11.344 -12.523 1.00 15.00 A H -ATOM 3870 HH12 ARG A 338 -21.294 12.079 -14.154 1.00 15.00 A H -ATOM 3871 NH2 ARG A 338 -21.544 9.913 -15.407 1.00 15.00 A N -ATOM 3872 HH21 ARG A 338 -21.502 10.761 -16.011 1.00 15.00 A H -ATOM 3873 HH22 ARG A 338 -21.651 8.970 -15.842 1.00 15.00 A H -ATOM 3874 C ARG A 338 -16.714 7.426 -12.476 1.00 15.00 A C -ATOM 3875 O ARG A 338 -16.342 6.261 -12.586 1.00 15.00 A O -ATOM 3876 N ASN A 339 -16.187 8.409 -13.199 1.00 15.00 A N -ATOM 3877 HN ASN A 339 -16.474 9.334 -13.045 1.00 15.00 A H -ATOM 3878 CA ASN A 339 -15.171 8.119 -14.211 1.00 15.00 A C -ATOM 3879 HA ASN A 339 -15.024 7.051 -14.236 1.00 15.00 A H -ATOM 3880 CB ASN A 339 -15.656 8.578 -15.592 1.00 15.00 A C -ATOM 3881 HB1 ASN A 339 -15.310 7.881 -16.338 1.00 15.00 A H -ATOM 3882 HB2 ASN A 339 -15.242 9.553 -15.800 1.00 15.00 A H -ATOM 3883 CG ASN A 339 -17.166 8.668 -15.688 1.00 15.00 A C -ATOM 3884 OD1 ASN A 339 -17.735 9.757 -15.675 1.00 15.00 A O -ATOM 3885 ND2 ASN A 339 -17.822 7.518 -15.769 1.00 15.00 A N -ATOM 3886 HD21 ASN A 339 -17.304 6.687 -15.763 1.00 15.00 A H -ATOM 3887 HD22 ASN A 339 -18.799 7.547 -15.833 1.00 15.00 A H -ATOM 3888 C ASN A 339 -13.839 8.791 -13.904 1.00 15.00 A C -ATOM 3889 O ASN A 339 -13.769 9.714 -13.091 1.00 15.00 A O -ATOM 3890 N PRO A 340 -12.752 8.303 -14.548 1.00 15.00 A N -ATOM 3891 CA PRO A 340 -11.424 8.888 -14.397 1.00 15.00 A C -ATOM 3892 HA PRO A 340 -11.076 8.839 -13.370 1.00 15.00 A H -ATOM 3893 CB PRO A 340 -10.536 8.030 -15.307 1.00 15.00 A C -ATOM 3894 HB1 PRO A 340 -9.996 7.304 -14.721 1.00 15.00 A H -ATOM 3895 HB2 PRO A 340 -9.844 8.663 -15.855 1.00 15.00 A H -ATOM 3896 CG PRO A 340 -11.472 7.339 -16.233 1.00 15.00 A C -ATOM 3897 HG1 PRO A 340 -11.064 6.382 -16.519 1.00 15.00 A H -ATOM 3898 HG2 PRO A 340 -11.645 7.955 -17.106 1.00 15.00 A H -ATOM 3899 CD PRO A 340 -12.741 7.146 -15.465 1.00 15.00 A C -ATOM 3900 HD1 PRO A 340 -12.715 6.219 -14.914 1.00 15.00 A H -ATOM 3901 HD2 PRO A 340 -13.590 7.170 -16.127 1.00 15.00 A H -ATOM 3902 C PRO A 340 -11.462 10.335 -14.871 1.00 15.00 A C -ATOM 3903 O PRO A 340 -12.080 10.634 -15.894 1.00 15.00 A O -ATOM 3904 N ASN A 341 -10.825 11.232 -14.133 1.00 15.00 A N -ATOM 3905 HN ASN A 341 -10.321 10.937 -13.345 1.00 15.00 A H -ATOM 3906 CA ASN A 341 -10.860 12.652 -14.476 1.00 15.00 A C -ATOM 3907 HA ASN A 341 -11.896 12.889 -14.668 1.00 15.00 A H -ATOM 3908 CB ASN A 341 -10.392 13.501 -13.293 1.00 15.00 A C -ATOM 3909 HB1 ASN A 341 -11.057 13.308 -12.456 1.00 15.00 A H -ATOM 3910 HB2 ASN A 341 -10.461 14.543 -13.555 1.00 15.00 A H -ATOM 3911 CG ASN A 341 -8.970 13.208 -12.836 1.00 15.00 A C -ATOM 3912 OD1 ASN A 341 -8.236 12.447 -13.466 1.00 15.00 A O -ATOM 3913 ND2 ASN A 341 -8.565 13.854 -11.751 1.00 15.00 A N -ATOM 3914 HD21 ASN A 341 -9.179 14.485 -11.335 1.00 15.00 A H -ATOM 3915 HD22 ASN A 341 -7.692 13.634 -11.386 1.00 15.00 A H -ATOM 3916 C ASN A 341 -10.067 12.978 -15.750 1.00 15.00 A C -ATOM 3917 O ASN A 341 -10.186 14.077 -16.285 1.00 15.00 A O -ATOM 3918 N ASN A 342 -9.271 12.012 -16.224 1.00 15.00 A N -ATOM 3919 HN ASN A 342 -9.225 11.160 -15.738 1.00 15.00 A H -ATOM 3920 CA ASN A 342 -8.458 12.171 -17.440 1.00 15.00 A C -ATOM 3921 HA ASN A 342 -7.951 11.231 -17.603 1.00 15.00 A H -ATOM 3922 CB ASN A 342 -9.342 12.453 -18.662 1.00 15.00 A C -ATOM 3923 HB1 ASN A 342 -9.055 13.398 -19.096 1.00 15.00 A H -ATOM 3924 HB2 ASN A 342 -10.376 12.502 -18.351 1.00 15.00 A H -ATOM 3925 CG ASN A 342 -9.208 11.375 -19.723 1.00 15.00 A C -ATOM 3926 OD1 ASN A 342 -8.234 11.352 -20.474 1.00 15.00 A O -ATOM 3927 ND2 ASN A 342 -10.190 10.484 -19.796 1.00 15.00 A N -ATOM 3928 HD21 ASN A 342 -10.940 10.567 -19.171 1.00 15.00 A H -ATOM 3929 HD22 ASN A 342 -10.124 9.782 -20.476 1.00 15.00 A H -ATOM 3930 C ASN A 342 -7.392 13.264 -17.289 1.00 15.00 A C -ATOM 3931 O ASN A 342 -6.758 13.662 -18.265 1.00 15.00 A O -ATOM 3932 N GLU A 343 -7.196 13.734 -16.061 1.00 15.00 A N -ATOM 3933 HN GLU A 343 -7.741 13.383 -15.327 1.00 15.00 A H -ATOM 3934 CA GLU A 343 -6.203 14.766 -15.769 1.00 15.00 A C -ATOM 3935 HA GLU A 343 -6.061 15.368 -16.653 1.00 15.00 A H -ATOM 3936 CB GLU A 343 -6.702 15.648 -14.631 1.00 15.00 A C -ATOM 3937 HB1 GLU A 343 -5.855 16.119 -14.154 1.00 15.00 A H -ATOM 3938 HB2 GLU A 343 -7.206 15.021 -13.909 1.00 15.00 A H -ATOM 3939 CG GLU A 343 -7.671 16.730 -15.065 1.00 15.00 A C -ATOM 3940 HG1 GLU A 343 -8.111 16.452 -16.011 1.00 15.00 A H -ATOM 3941 HG2 GLU A 343 -7.127 17.656 -15.176 1.00 15.00 A H -ATOM 3942 CD GLU A 343 -8.776 16.937 -14.051 1.00 15.00 A C -ATOM 3943 OE1 GLU A 343 -8.504 16.774 -12.845 1.00 15.00 A O -ATOM 3944 OE2 GLU A 343 -9.911 17.255 -14.461 1.00 15.00 A O -ATOM 3945 C GLU A 343 -4.880 14.128 -15.371 1.00 15.00 A C -ATOM 3946 O GLU A 343 -4.725 13.701 -14.230 1.00 15.00 A O -ATOM 3947 N ARG A 344 -3.925 14.084 -16.309 1.00 15.00 A N -ATOM 3948 HN ARG A 344 -4.099 14.480 -17.187 1.00 15.00 A H -ATOM 3949 CA ARG A 344 -2.618 13.463 -16.056 1.00 15.00 A C -ATOM 3950 HA ARG A 344 -2.110 13.357 -17.004 1.00 15.00 A H -ATOM 3951 CB ARG A 344 -1.762 14.330 -15.114 1.00 15.00 A C -ATOM 3952 HB1 ARG A 344 -0.804 13.851 -14.977 1.00 15.00 A H -ATOM 3953 HB2 ARG A 344 -2.259 14.397 -14.158 1.00 15.00 A H -ATOM 3954 CG ARG A 344 -1.514 15.747 -15.618 1.00 15.00 A C -ATOM 3955 HG1 ARG A 344 -2.459 16.265 -15.687 1.00 15.00 A H -ATOM 3956 HG2 ARG A 344 -1.053 15.699 -16.593 1.00 15.00 A H -ATOM 3957 CD ARG A 344 -0.594 16.519 -14.680 1.00 15.00 A C -ATOM 3958 HD1 ARG A 344 -0.821 16.237 -13.663 1.00 15.00 A H -ATOM 3959 HD2 ARG A 344 -0.777 17.577 -14.806 1.00 15.00 A H -ATOM 3960 NE ARG A 344 0.820 16.247 -14.940 1.00 15.00 A N -ATOM 3961 HE ARG A 344 1.049 15.825 -15.791 1.00 15.00 A H -ATOM 3962 CZ ARG A 344 1.802 16.548 -14.090 1.00 15.00 A C -ATOM 3963 NH1 ARG A 344 1.525 17.110 -12.925 1.00 15.00 A N -ATOM 3964 HH11 ARG A 344 2.294 17.345 -12.264 1.00 15.00 A H -ATOM 3965 HH12 ARG A 344 0.539 17.316 -12.667 1.00 15.00 A H -ATOM 3966 NH2 ARG A 344 3.062 16.281 -14.404 1.00 15.00 A N -ATOM 3967 HH21 ARG A 344 3.825 16.514 -13.733 1.00 15.00 A H -ATOM 3968 HH22 ARG A 344 3.293 15.845 -15.319 1.00 15.00 A H -ATOM 3969 C ARG A 344 -2.833 12.072 -15.452 1.00 15.00 A C -ATOM 3970 O ARG A 344 -2.266 11.734 -14.412 1.00 15.00 A O -ATOM 3971 N GLY A 345 -3.671 11.281 -16.122 1.00 15.00 A N -ATOM 3972 HN GLY A 345 -4.064 11.603 -16.962 1.00 15.00 A H -ATOM 3973 CA GLY A 345 -4.012 9.957 -15.637 1.00 15.00 A C -ATOM 3974 HA1 GLY A 345 -4.852 9.591 -16.210 1.00 15.00 A H -ATOM 3975 HA2 GLY A 345 -4.319 10.046 -14.605 1.00 15.00 A H -ATOM 3976 C GLY A 345 -2.894 8.934 -15.710 1.00 15.00 A C -ATOM 3977 O GLY A 345 -2.744 8.134 -14.786 1.00 15.00 A O -ATOM 3978 N THR A 346 -2.124 8.936 -16.805 1.00 15.00 A N -ATOM 3979 HN THR A 346 -2.301 9.589 -17.513 1.00 15.00 A H -ATOM 3980 CA THR A 346 -1.029 7.974 -16.972 1.00 15.00 A C -ATOM 3981 HA THR A 346 -1.472 6.993 -17.060 1.00 15.00 A H -ATOM 3982 CB THR A 346 -0.194 8.232 -18.245 1.00 15.00 A C -ATOM 3983 HB THR A 346 0.312 9.182 -18.145 1.00 15.00 A H -ATOM 3984 OG1 THR A 346 -1.041 8.268 -19.400 1.00 15.00 A O -ATOM 3985 HG1 THR A 346 -0.756 7.597 -20.025 1.00 15.00 A H -ATOM 3986 CG2 THR A 346 0.852 7.137 -18.417 1.00 15.00 A C -ATOM 3987 HG21 THR A 346 1.732 7.388 -17.844 1.00 15.00 A H -ATOM 3988 HG22 THR A 346 1.113 7.042 -19.460 1.00 15.00 A H -ATOM 3989 HG23 THR A 346 0.449 6.200 -18.060 1.00 15.00 A H -ATOM 3990 C THR A 346 -0.090 7.972 -15.767 1.00 15.00 A C -ATOM 3991 O THR A 346 0.254 9.031 -15.238 1.00 15.00 A O -ATOM 3992 N GLN A 347 0.301 6.760 -15.351 1.00 15.00 A N -ATOM 3993 HN GLN A 347 -0.034 5.974 -15.833 1.00 15.00 A H -ATOM 3994 CA GLN A 347 1.198 6.551 -14.211 1.00 15.00 A C -ATOM 3995 HA GLN A 347 1.509 5.518 -14.234 1.00 15.00 A H -ATOM 3996 CB GLN A 347 2.444 7.440 -14.303 1.00 15.00 A C -ATOM 3997 HB1 GLN A 347 2.914 7.476 -13.331 1.00 15.00 A H -ATOM 3998 HB2 GLN A 347 2.139 8.437 -14.584 1.00 15.00 A H -ATOM 3999 CG GLN A 347 3.474 6.967 -15.314 1.00 15.00 A C -ATOM 4000 HG1 GLN A 347 2.966 6.612 -16.198 1.00 15.00 A H -ATOM 4001 HG2 GLN A 347 4.043 6.158 -14.875 1.00 15.00 A H -ATOM 4002 CD GLN A 347 4.438 8.068 -15.710 1.00 15.00 A C -ATOM 4003 OE1 GLN A 347 4.855 8.875 -14.876 1.00 15.00 A O -ATOM 4004 NE2 GLN A 347 4.779 8.125 -16.992 1.00 15.00 A N -ATOM 4005 HE21 GLN A 347 4.397 7.463 -17.603 1.00 15.00 A H -ATOM 4006 HE22 GLN A 347 5.393 8.835 -17.273 1.00 15.00 A H -ATOM 4007 C GLN A 347 0.481 6.806 -12.892 1.00 15.00 A C -ATOM 4008 O GLN A 347 -0.706 7.133 -12.865 1.00 15.00 A O ATOM 4009 N GLY A 348 1.213 6.646 -11.796 1.00 15.00 A N ATOM 4010 HN GLY A 348 2.152 6.378 -11.878 1.00 15.00 A H ATOM 4011 CA GLY A 348 0.633 6.863 -10.491 1.00 15.00 A C @@ -4054,352 +282,6 @@ ATOM 4012 HA1 GLY A 348 -0.254 6.255 -10.403 1.00 15.00 A H ATOM 4013 HA2 GLY A 348 0.352 7.903 -10.404 1.00 15.00 A H ATOM 4014 C GLY A 348 1.571 6.515 -9.354 1.00 15.00 A C ATOM 4015 O GLY A 348 2.796 6.560 -9.492 1.00 15.00 A O -ATOM 4016 N VAL A 349 0.966 6.185 -8.225 1.00 15.00 A N -ATOM 4017 HN VAL A 349 -0.014 6.202 -8.203 1.00 15.00 A H -ATOM 4018 CA VAL A 349 1.677 5.802 -7.013 1.00 15.00 A C -ATOM 4019 HA VAL A 349 2.429 5.071 -7.273 1.00 15.00 A H -ATOM 4020 CB VAL A 349 2.370 7.017 -6.333 1.00 15.00 A C -ATOM 4021 HB VAL A 349 2.997 7.499 -7.068 1.00 15.00 A H -ATOM 4022 CG1 VAL A 349 1.356 8.039 -5.839 1.00 15.00 A C -ATOM 4023 HG11 VAL A 349 0.690 8.306 -6.644 1.00 15.00 A H -ATOM 4024 HG12 VAL A 349 1.876 8.922 -5.492 1.00 15.00 A H -ATOM 4025 HG13 VAL A 349 0.788 7.615 -5.024 1.00 15.00 A H -ATOM 4026 CG2 VAL A 349 3.257 6.563 -5.184 1.00 15.00 A C -ATOM 4027 HG21 VAL A 349 2.728 5.837 -4.585 1.00 15.00 A H -ATOM 4028 HG22 VAL A 349 3.514 7.416 -4.571 1.00 15.00 A H -ATOM 4029 HG23 VAL A 349 4.159 6.119 -5.577 1.00 15.00 A H -ATOM 4030 C VAL A 349 0.677 5.174 -6.052 1.00 15.00 A C -ATOM 4031 O VAL A 349 -0.473 5.597 -6.020 1.00 15.00 A O -ATOM 4032 N LYS A 350 1.085 4.158 -5.300 1.00 15.00 A N -ATOM 4033 HN LYS A 350 2.007 3.835 -5.377 1.00 15.00 A H -ATOM 4034 CA LYS A 350 0.171 3.525 -4.359 1.00 15.00 A C -ATOM 4035 HA LYS A 350 -0.718 3.255 -4.904 1.00 15.00 A H -ATOM 4036 CB LYS A 350 0.778 2.265 -3.748 1.00 15.00 A C -ATOM 4037 HB1 LYS A 350 1.685 2.530 -3.223 1.00 15.00 A H -ATOM 4038 HB2 LYS A 350 1.015 1.572 -4.542 1.00 15.00 A H -ATOM 4039 CG LYS A 350 -0.152 1.567 -2.772 1.00 15.00 A C -ATOM 4040 HG1 LYS A 350 -1.035 1.243 -3.303 1.00 15.00 A H -ATOM 4041 HG2 LYS A 350 -0.432 2.267 -1.997 1.00 15.00 A H -ATOM 4042 CD LYS A 350 0.509 0.363 -2.132 1.00 15.00 A C -ATOM 4043 HD1 LYS A 350 1.494 0.643 -1.789 1.00 15.00 A H -ATOM 4044 HD2 LYS A 350 0.591 -0.424 -2.867 1.00 15.00 A H -ATOM 4045 CE LYS A 350 -0.294 -0.155 -0.955 1.00 15.00 A C -ATOM 4046 HE1 LYS A 350 -0.503 0.668 -0.287 1.00 15.00 A H -ATOM 4047 HE2 LYS A 350 0.297 -0.894 -0.434 1.00 15.00 A H -ATOM 4048 NZ LYS A 350 -1.580 -0.773 -1.380 1.00 15.00 A N -ATOM 4049 HZ1 LYS A 350 -2.132 -1.063 -0.548 1.00 15.00 A H -ATOM 4050 HZ2 LYS A 350 -1.398 -1.612 -1.969 1.00 15.00 A H -ATOM 4051 HZ3 LYS A 350 -2.138 -0.091 -1.933 1.00 15.00 A H -ATOM 4052 C LYS A 350 -0.222 4.506 -3.258 1.00 15.00 A C -ATOM 4053 O LYS A 350 0.634 5.171 -2.670 1.00 15.00 A O -ATOM 4054 N GLY A 351 -1.519 4.599 -3.004 1.00 15.00 A N -ATOM 4055 HN GLY A 351 -2.149 4.044 -3.511 1.00 15.00 A H -ATOM 4056 CA GLY A 351 -2.017 5.502 -1.988 1.00 15.00 A C -ATOM 4057 HA1 GLY A 351 -2.264 6.446 -2.452 1.00 15.00 A H -ATOM 4058 HA2 GLY A 351 -1.241 5.665 -1.256 1.00 15.00 A H -ATOM 4059 C GLY A 351 -3.242 4.967 -1.286 1.00 15.00 A C -ATOM 4060 O GLY A 351 -3.769 3.914 -1.654 1.00 15.00 A O -ATOM 4061 N TRP A 352 -3.701 5.701 -0.283 1.00 15.00 A N -ATOM 4062 HN TRP A 352 -3.244 6.537 -0.058 1.00 15.00 A H -ATOM 4063 CA TRP A 352 -4.861 5.294 0.495 1.00 15.00 A C -ATOM 4064 HA TRP A 352 -5.361 4.497 -0.041 1.00 15.00 A H -ATOM 4065 CB TRP A 352 -4.412 4.771 1.863 1.00 15.00 A C -ATOM 4066 HB1 TRP A 352 -3.744 3.934 1.719 1.00 15.00 A H -ATOM 4067 HB2 TRP A 352 -5.276 4.445 2.417 1.00 15.00 A H -ATOM 4068 CG TRP A 352 -3.689 5.806 2.682 1.00 15.00 A C -ATOM 4069 CD1 TRP A 352 -2.357 6.120 2.611 1.00 15.00 A C -ATOM 4070 HD1 TRP A 352 -1.656 5.645 1.939 1.00 15.00 A H -ATOM 4071 CD2 TRP A 352 -4.250 6.666 3.682 1.00 15.00 A C -ATOM 4072 NE1 TRP A 352 -2.060 7.114 3.508 1.00 15.00 A N -ATOM 4073 HE1 TRP A 352 -1.178 7.511 3.646 1.00 15.00 A H -ATOM 4074 CE2 TRP A 352 -3.203 7.468 4.173 1.00 15.00 A C -ATOM 4075 CE3 TRP A 352 -5.531 6.841 4.215 1.00 15.00 A C -ATOM 4076 HE3 TRP A 352 -6.360 6.249 3.866 1.00 15.00 A H -ATOM 4077 CZ2 TRP A 352 -3.405 8.440 5.158 1.00 15.00 A C -ATOM 4078 HZ2 TRP A 352 -2.595 9.059 5.528 1.00 15.00 A H -ATOM 4079 CZ3 TRP A 352 -5.728 7.801 5.193 1.00 15.00 A C -ATOM 4080 HZ3 TRP A 352 -6.713 7.946 5.615 1.00 15.00 A H -ATOM 4081 CH2 TRP A 352 -4.668 8.586 5.660 1.00 15.00 A C -ATOM 4082 HH2 TRP A 352 -4.866 9.313 6.433 1.00 15.00 A H -ATOM 4083 C TRP A 352 -5.843 6.437 0.704 1.00 15.00 A C -ATOM 4084 O TRP A 352 -5.588 7.578 0.316 1.00 15.00 A O -ATOM 4085 N ALA A 353 -6.964 6.091 1.339 1.00 15.00 A N -ATOM 4086 HN ALA A 353 -7.076 5.152 1.594 1.00 15.00 A H -ATOM 4087 CA ALA A 353 -8.033 7.030 1.675 1.00 15.00 A C -ATOM 4088 HA ALA A 353 -7.650 7.714 2.417 1.00 15.00 A H -ATOM 4089 CB ALA A 353 -8.486 7.842 0.460 1.00 15.00 A C -ATOM 4090 HB1 ALA A 353 -8.961 8.752 0.794 1.00 15.00 A H -ATOM 4091 HB2 ALA A 353 -9.187 7.268 -0.125 1.00 15.00 A H -ATOM 4092 HB3 ALA A 353 -7.629 8.088 -0.149 1.00 15.00 A H -ATOM 4093 C ALA A 353 -9.205 6.263 2.277 1.00 15.00 A C -ATOM 4094 O ALA A 353 -9.556 5.182 1.802 1.00 15.00 A O -ATOM 4095 N PHE A 354 -9.807 6.811 3.327 1.00 15.00 A N -ATOM 4096 HN PHE A 354 -9.497 7.676 3.669 1.00 15.00 A H -ATOM 4097 CA PHE A 354 -10.939 6.144 3.958 1.00 15.00 A C -ATOM 4098 HA PHE A 354 -11.331 5.452 3.223 1.00 15.00 A H -ATOM 4099 CB PHE A 354 -10.493 5.329 5.190 1.00 15.00 A C -ATOM 4100 HB1 PHE A 354 -9.644 4.715 4.900 1.00 15.00 A H -ATOM 4101 HB2 PHE A 354 -11.309 4.687 5.491 1.00 15.00 A H -ATOM 4102 CG PHE A 354 -10.081 6.130 6.394 1.00 15.00 A C -ATOM 4103 CD1 PHE A 354 -8.750 6.457 6.605 1.00 15.00 A C -ATOM 4104 HD1 PHE A 354 -8.012 6.174 5.866 1.00 15.00 A H -ATOM 4105 CD2 PHE A 354 -11.017 6.522 7.339 1.00 15.00 A C -ATOM 4106 HD2 PHE A 354 -12.056 6.270 7.185 1.00 15.00 A H -ATOM 4107 CE1 PHE A 354 -8.362 7.165 7.725 1.00 15.00 A C -ATOM 4108 HE1 PHE A 354 -7.325 7.411 7.876 1.00 15.00 A H -ATOM 4109 CE2 PHE A 354 -10.639 7.239 8.458 1.00 15.00 A C -ATOM 4110 HE2 PHE A 354 -11.379 7.540 9.183 1.00 15.00 A H -ATOM 4111 CZ PHE A 354 -9.308 7.557 8.653 1.00 15.00 A C -ATOM 4112 HZ PHE A 354 -9.010 8.110 9.531 1.00 15.00 A H -ATOM 4113 C PHE A 354 -12.057 7.132 4.283 1.00 15.00 A C -ATOM 4114 O PHE A 354 -11.812 8.312 4.526 1.00 15.00 A O -ATOM 4115 N ASP A 355 -13.288 6.630 4.283 1.00 15.00 A N -ATOM 4116 HN ASP A 355 -13.411 5.669 4.124 1.00 15.00 A H -ATOM 4117 CA ASP A 355 -14.462 7.467 4.516 1.00 15.00 A C -ATOM 4118 HA ASP A 355 -14.235 8.452 4.140 1.00 15.00 A H -ATOM 4119 CB ASP A 355 -15.654 6.915 3.727 1.00 15.00 A C -ATOM 4120 HB1 ASP A 355 -15.351 6.734 2.705 1.00 15.00 A H -ATOM 4121 HB2 ASP A 355 -16.451 7.644 3.735 1.00 15.00 A H -ATOM 4122 CG ASP A 355 -16.193 5.618 4.304 1.00 15.00 A C -ATOM 4123 OD1 ASP A 355 -15.562 4.562 4.085 1.00 15.00 A O -ATOM 4124 OD2 ASP A 355 -17.248 5.658 4.972 1.00 15.00 A O -ATOM 4125 C ASP A 355 -14.846 7.590 5.995 1.00 15.00 A C -ATOM 4126 O ASP A 355 -14.552 6.719 6.816 1.00 15.00 A O -ATOM 4127 N ASN A 356 -15.520 8.702 6.297 1.00 15.00 A N -ATOM 4128 HN ASN A 356 -15.689 9.347 5.577 1.00 15.00 A H -ATOM 4129 CA ASN A 356 -16.018 9.014 7.635 1.00 15.00 A C -ATOM 4130 HA ASN A 356 -16.217 8.086 8.150 1.00 15.00 A H -ATOM 4131 CB ASN A 356 -14.989 9.835 8.421 1.00 15.00 A C -ATOM 4132 HB1 ASN A 356 -14.795 10.758 7.890 1.00 15.00 A H -ATOM 4133 HB2 ASN A 356 -14.071 9.272 8.494 1.00 15.00 A H -ATOM 4134 CG ASN A 356 -15.453 10.181 9.827 1.00 15.00 A C -ATOM 4135 OD1 ASN A 356 -15.309 11.319 10.273 1.00 15.00 A O -ATOM 4136 ND2 ASN A 356 -16.000 9.199 10.537 1.00 15.00 A N -ATOM 4137 HD21 ASN A 356 -16.076 8.315 10.123 1.00 15.00 A H -ATOM 4138 HD22 ASN A 356 -16.301 9.399 11.449 1.00 15.00 A H -ATOM 4139 C ASN A 356 -17.319 9.797 7.478 1.00 15.00 A C -ATOM 4140 O ASN A 356 -17.339 11.026 7.581 1.00 15.00 A O -ATOM 4141 N GLY A 357 -18.408 9.077 7.213 1.00 15.00 A N -ATOM 4142 HN GLY A 357 -18.342 8.098 7.177 1.00 15.00 A H -ATOM 4143 CA GLY A 357 -19.685 9.727 6.976 1.00 15.00 A C -ATOM 4144 HA1 GLY A 357 -19.786 10.573 7.641 1.00 15.00 A H -ATOM 4145 HA2 GLY A 357 -20.486 9.024 7.156 1.00 15.00 A H -ATOM 4146 C GLY A 357 -19.742 10.211 5.543 1.00 15.00 A C -ATOM 4147 O GLY A 357 -19.802 9.402 4.617 1.00 15.00 A O -ATOM 4148 N ASN A 358 -19.721 11.525 5.354 1.00 15.00 A N -ATOM 4149 HN ASN A 358 -19.729 12.123 6.130 1.00 15.00 A H -ATOM 4150 CA ASN A 358 -19.700 12.096 4.013 1.00 15.00 A C -ATOM 4151 HA ASN A 358 -19.853 11.291 3.307 1.00 15.00 A H -ATOM 4152 CB ASN A 358 -20.791 13.160 3.815 1.00 15.00 A C -ATOM 4153 HB1 ASN A 358 -20.653 13.624 2.847 1.00 15.00 A H -ATOM 4154 HB2 ASN A 358 -20.696 13.914 4.582 1.00 15.00 A H -ATOM 4155 CG ASN A 358 -22.201 12.602 3.877 1.00 15.00 A C -ATOM 4156 OD1 ASN A 358 -22.774 12.211 2.862 1.00 15.00 A O -ATOM 4157 ND2 ASN A 358 -22.768 12.574 5.072 1.00 15.00 A N -ATOM 4158 HD21 ASN A 358 -22.250 12.905 5.834 1.00 15.00 A H -ATOM 4159 HD22 ASN A 358 -23.681 12.227 5.145 1.00 15.00 A H -ATOM 4160 C ASN A 358 -18.327 12.718 3.762 1.00 15.00 A C -ATOM 4161 O ASN A 358 -18.047 13.204 2.672 1.00 15.00 A O -ATOM 4162 N ASP A 359 -17.472 12.678 4.791 1.00 15.00 A N -ATOM 4163 HN ASP A 359 -17.756 12.249 5.626 1.00 15.00 A H -ATOM 4164 CA ASP A 359 -16.122 13.247 4.713 1.00 15.00 A C -ATOM 4165 HA ASP A 359 -16.144 14.049 3.991 1.00 15.00 A H -ATOM 4166 CB ASP A 359 -15.704 13.812 6.075 1.00 15.00 A C -ATOM 4167 HB1 ASP A 359 -14.754 14.315 5.972 1.00 15.00 A H -ATOM 4168 HB2 ASP A 359 -15.601 12.999 6.779 1.00 15.00 A H -ATOM 4169 CG ASP A 359 -16.712 14.798 6.633 1.00 15.00 A C -ATOM 4170 OD1 ASP A 359 -16.928 15.850 5.999 1.00 15.00 A O -ATOM 4171 OD2 ASP A 359 -17.278 14.518 7.712 1.00 15.00 A O -ATOM 4172 C ASP A 359 -15.109 12.201 4.257 1.00 15.00 A C -ATOM 4173 O ASP A 359 -15.410 11.008 4.220 1.00 15.00 A O -ATOM 4174 N LEU A 360 -13.895 12.647 3.927 1.00 15.00 A N -ATOM 4175 HN LEU A 360 -13.700 13.604 3.992 1.00 15.00 A H -ATOM 4176 CA LEU A 360 -12.857 11.732 3.458 1.00 15.00 A C -ATOM 4177 HA LEU A 360 -13.138 10.733 3.753 1.00 15.00 A H -ATOM 4178 CB LEU A 360 -12.758 11.786 1.933 1.00 15.00 A C -ATOM 4179 HB1 LEU A 360 -12.522 12.802 1.645 1.00 15.00 A H -ATOM 4180 HB2 LEU A 360 -13.720 11.527 1.520 1.00 15.00 A H -ATOM 4181 CG LEU A 360 -11.701 10.859 1.321 1.00 15.00 A C -ATOM 4182 HG LEU A 360 -10.938 10.658 2.060 1.00 15.00 A H -ATOM 4183 CD1 LEU A 360 -12.326 9.535 0.924 1.00 15.00 A C -ATOM 4184 HD11 LEU A 360 -12.970 9.188 1.717 1.00 15.00 A H -ATOM 4185 HD12 LEU A 360 -11.547 8.808 0.749 1.00 15.00 A H -ATOM 4186 HD13 LEU A 360 -12.904 9.668 0.023 1.00 15.00 A H -ATOM 4187 CD2 LEU A 360 -11.033 11.516 0.122 1.00 15.00 A C -ATOM 4188 HD21 LEU A 360 -10.421 12.340 0.458 1.00 15.00 A H -ATOM 4189 HD22 LEU A 360 -11.789 11.884 -0.554 1.00 15.00 A H -ATOM 4190 HD23 LEU A 360 -10.415 10.793 -0.388 1.00 15.00 A H -ATOM 4191 C LEU A 360 -11.473 12.047 4.031 1.00 15.00 A C -ATOM 4192 O LEU A 360 -10.959 13.152 3.869 1.00 15.00 A O -ATOM 4193 N TRP A 361 -10.885 11.062 4.708 1.00 15.00 A N -ATOM 4194 HN TRP A 361 -11.380 10.230 4.865 1.00 15.00 A H -ATOM 4195 CA TRP A 361 -9.529 11.191 5.237 1.00 15.00 A C -ATOM 4196 HA TRP A 361 -9.315 12.237 5.375 1.00 15.00 A H -ATOM 4197 CB TRP A 361 -9.351 10.440 6.557 1.00 15.00 A C -ATOM 4198 HB1 TRP A 361 -8.298 10.288 6.732 1.00 15.00 A H -ATOM 4199 HB2 TRP A 361 -9.837 9.481 6.473 1.00 15.00 A H -ATOM 4200 CG TRP A 361 -9.916 11.146 7.748 1.00 15.00 A C -ATOM 4201 CD1 TRP A 361 -11.097 10.873 8.376 1.00 15.00 A C -ATOM 4202 HD1 TRP A 361 -11.772 10.095 8.067 1.00 15.00 A H -ATOM 4203 CD2 TRP A 361 -9.317 12.237 8.468 1.00 15.00 A C -ATOM 4204 NE1 TRP A 361 -11.282 11.728 9.431 1.00 15.00 A N -ATOM 4205 HE1 TRP A 361 -12.054 11.730 10.036 1.00 15.00 A H -ATOM 4206 CE2 TRP A 361 -10.204 12.585 9.504 1.00 15.00 A C -ATOM 4207 CE3 TRP A 361 -8.135 12.964 8.323 1.00 15.00 A C -ATOM 4208 HE3 TRP A 361 -7.436 12.733 7.541 1.00 15.00 A H -ATOM 4209 CZ2 TRP A 361 -9.931 13.616 10.407 1.00 15.00 A C -ATOM 4210 HZ2 TRP A 361 -10.615 13.874 11.210 1.00 15.00 A H -ATOM 4211 CZ3 TRP A 361 -7.864 13.985 9.215 1.00 15.00 A C -ATOM 4212 HZ3 TRP A 361 -6.952 14.553 9.121 1.00 15.00 A H -ATOM 4213 CH2 TRP A 361 -8.764 14.308 10.241 1.00 15.00 A C -ATOM 4214 HH2 TRP A 361 -8.511 15.114 10.914 1.00 15.00 A H -ATOM 4215 C TRP A 361 -8.570 10.617 4.208 1.00 15.00 A C -ATOM 4216 O TRP A 361 -8.738 9.479 3.772 1.00 15.00 A O -ATOM 4217 N MET A 362 -7.558 11.378 3.823 1.00 15.00 A N -ATOM 4218 HN MET A 362 -7.418 12.256 4.235 1.00 15.00 A H -ATOM 4219 CA MET A 362 -6.644 10.899 2.799 1.00 15.00 A C -ATOM 4220 HA MET A 362 -6.602 9.826 2.867 1.00 15.00 A H -ATOM 4221 CB MET A 362 -7.199 11.278 1.428 1.00 15.00 A C -ATOM 4222 HB1 MET A 362 -8.067 10.670 1.221 1.00 15.00 A H -ATOM 4223 HB2 MET A 362 -6.446 11.080 0.677 1.00 15.00 A H -ATOM 4224 CG MET A 362 -7.606 12.741 1.332 1.00 15.00 A C -ATOM 4225 HG1 MET A 362 -6.791 13.349 1.696 1.00 15.00 A H -ATOM 4226 HG2 MET A 362 -8.475 12.898 1.955 1.00 15.00 A H -ATOM 4227 SD MET A 362 -8.000 13.251 -0.349 1.00 15.00 A S -ATOM 4228 CE MET A 362 -6.355 13.500 -1.006 1.00 15.00 A C -ATOM 4229 HE1 MET A 362 -5.822 12.561 -1.008 1.00 15.00 A H -ATOM 4230 HE2 MET A 362 -5.826 14.212 -0.389 1.00 15.00 A H -ATOM 4231 HE3 MET A 362 -6.424 13.879 -2.015 1.00 15.00 A H -ATOM 4232 C MET A 362 -5.234 11.446 2.941 1.00 15.00 A C -ATOM 4233 O MET A 362 -4.968 12.363 3.718 1.00 15.00 A O -ATOM 4234 N GLY A 363 -4.349 10.850 2.156 1.00 15.00 A N -ATOM 4235 HN GLY A 363 -4.650 10.109 1.589 1.00 15.00 A H -ATOM 4236 CA GLY A 363 -2.963 11.244 2.118 1.00 15.00 A C -ATOM 4237 HA1 GLY A 363 -2.384 10.568 2.728 1.00 15.00 A H -ATOM 4238 HA2 GLY A 363 -2.868 12.244 2.508 1.00 15.00 A H -ATOM 4239 C GLY A 363 -2.423 11.214 0.707 1.00 15.00 A C -ATOM 4240 O GLY A 363 -2.810 10.368 -0.101 1.00 15.00 A O -ATOM 4241 N ARG A 364 -1.528 12.138 0.415 1.00 15.00 A N -ATOM 4242 HN ARG A 364 -1.256 12.776 1.111 1.00 15.00 A H -ATOM 4243 CA ARG A 364 -0.928 12.233 -0.901 1.00 15.00 A C -ATOM 4244 HA ARG A 364 -0.808 11.235 -1.296 1.00 15.00 A H -ATOM 4245 CB ARG A 364 -1.831 13.046 -1.835 1.00 15.00 A C -ATOM 4246 HB1 ARG A 364 -2.655 12.424 -2.152 1.00 15.00 A H -ATOM 4247 HB2 ARG A 364 -1.258 13.341 -2.701 1.00 15.00 A H -ATOM 4248 CG ARG A 364 -2.403 14.302 -1.176 1.00 15.00 A C -ATOM 4249 HG1 ARG A 364 -1.819 14.535 -0.297 1.00 15.00 A H -ATOM 4250 HG2 ARG A 364 -3.429 14.108 -0.887 1.00 15.00 A H -ATOM 4251 CD ARG A 364 -2.373 15.494 -2.120 1.00 15.00 A C -ATOM 4252 HD1 ARG A 364 -2.038 15.166 -3.083 1.00 15.00 A H -ATOM 4253 HD2 ARG A 364 -1.681 16.216 -1.740 1.00 15.00 A H -ATOM 4254 NE ARG A 364 -3.682 16.126 -2.254 1.00 15.00 A N -ATOM 4255 HE ARG A 364 -4.474 15.548 -2.259 1.00 15.00 A H -ATOM 4256 CZ ARG A 364 -3.842 17.438 -2.400 1.00 15.00 A C -ATOM 4257 NH1 ARG A 364 -2.787 18.238 -2.391 1.00 15.00 A N -ATOM 4258 HH11 ARG A 364 -1.827 17.838 -2.284 1.00 15.00 A H -ATOM 4259 HH12 ARG A 364 -2.914 19.267 -2.498 1.00 15.00 A H -ATOM 4260 NH2 ARG A 364 -5.058 17.944 -2.532 1.00 15.00 A N -ATOM 4261 HH21 ARG A 364 -5.186 18.964 -2.655 1.00 15.00 A H -ATOM 4262 HH22 ARG A 364 -5.880 17.324 -2.518 1.00 15.00 A H -ATOM 4263 C ARG A 364 0.424 12.905 -0.816 1.00 15.00 A C -ATOM 4264 O ARG A 364 0.777 13.478 0.215 1.00 15.00 A O -ATOM 4265 N THR A 365 1.187 12.824 -1.895 1.00 15.00 A N -ATOM 4266 HN THR A 365 0.874 12.317 -2.673 1.00 15.00 A H -ATOM 4267 CA THR A 365 2.477 13.480 -1.939 1.00 15.00 A C -ATOM 4268 HA THR A 365 3.005 13.255 -1.023 1.00 15.00 A H -ATOM 4269 CB THR A 365 3.332 13.021 -3.141 1.00 15.00 A C -ATOM 4270 HB THR A 365 4.292 13.509 -3.087 1.00 15.00 A H -ATOM 4271 OG1 THR A 365 2.696 13.381 -4.369 1.00 15.00 A O -ATOM 4272 HG1 THR A 365 3.196 14.085 -4.795 1.00 15.00 A H -ATOM 4273 CG2 THR A 365 3.552 11.517 -3.121 1.00 15.00 A C -ATOM 4274 HG21 THR A 365 2.674 11.029 -2.717 1.00 15.00 A H -ATOM 4275 HG22 THR A 365 4.408 11.283 -2.508 1.00 15.00 A H -ATOM 4276 HG23 THR A 365 3.724 11.168 -4.129 1.00 15.00 A H -ATOM 4277 C THR A 365 2.243 14.980 -2.034 1.00 15.00 A C -ATOM 4278 O THR A 365 1.279 15.415 -2.661 1.00 15.00 A O -ATOM 4279 N ILE A 366 3.083 15.770 -1.390 1.00 15.00 A N -ATOM 4280 HN ILE A 366 3.821 15.382 -0.871 1.00 15.00 A H -ATOM 4281 CA ILE A 366 2.912 17.214 -1.441 1.00 15.00 A C -ATOM 4282 HA ILE A 366 1.886 17.424 -1.163 1.00 15.00 A H -ATOM 4283 CB ILE A 366 3.832 17.933 -0.435 1.00 15.00 A C -ATOM 4284 HB ILE A 366 4.839 17.576 -0.577 1.00 15.00 A H -ATOM 4285 CG1 ILE A 366 3.378 17.596 0.991 1.00 15.00 A C -ATOM 4286 HG11 ILE A 366 3.477 16.531 1.147 1.00 15.00 A H -ATOM 4287 HG12 ILE A 366 2.343 17.876 1.105 1.00 15.00 A H -ATOM 4288 CG2 ILE A 366 3.819 19.440 -0.665 1.00 15.00 A C -ATOM 4289 HG21 ILE A 366 4.160 19.942 0.227 1.00 15.00 A H -ATOM 4290 HG22 ILE A 366 2.816 19.762 -0.902 1.00 15.00 A H -ATOM 4291 HG23 ILE A 366 4.477 19.682 -1.488 1.00 15.00 A H -ATOM 4292 CD1 ILE A 366 4.162 18.299 2.076 1.00 15.00 A C -ATOM 4293 HD11 ILE A 366 3.999 17.796 3.018 1.00 15.00 A H -ATOM 4294 HD12 ILE A 366 3.826 19.323 2.153 1.00 15.00 A H -ATOM 4295 HD13 ILE A 366 5.212 18.280 1.833 1.00 15.00 A H -ATOM 4296 C ILE A 366 3.130 17.718 -2.869 1.00 15.00 A C -ATOM 4297 O ILE A 366 2.469 18.652 -3.316 1.00 15.00 A O -ATOM 4298 N SER A 367 4.038 17.060 -3.593 1.00 15.00 A N -ATOM 4299 HN SER A 367 4.539 16.322 -3.180 1.00 15.00 A H -ATOM 4300 CA SER A 367 4.309 17.414 -4.984 1.00 15.00 A C -ATOM 4301 HA SER A 367 4.238 18.487 -5.074 1.00 15.00 A H -ATOM 4302 CB SER A 367 5.713 16.960 -5.395 1.00 15.00 A C -ATOM 4303 HB1 SER A 367 5.736 15.882 -5.447 1.00 15.00 A H -ATOM 4304 HB2 SER A 367 6.426 17.297 -4.660 1.00 15.00 A H -ATOM 4305 OG SER A 367 6.079 17.488 -6.662 1.00 15.00 A O -ATOM 4306 HG SER A 367 5.634 16.999 -7.358 1.00 15.00 A H -ATOM 4307 C SER A 367 3.260 16.769 -5.888 1.00 15.00 A C -ATOM 4308 O SER A 367 2.760 15.689 -5.596 1.00 15.00 A O -ATOM 4309 N LYS A 368 2.930 17.431 -6.982 1.00 15.00 A N -ATOM 4310 HN LYS A 368 3.370 18.284 -7.178 1.00 15.00 A H -ATOM 4311 CA LYS A 368 1.926 16.915 -7.906 1.00 15.00 A C -ATOM 4312 HA LYS A 368 1.326 16.188 -7.379 1.00 15.00 A H -ATOM 4313 CB LYS A 368 1.026 18.054 -8.374 1.00 15.00 A C -ATOM 4314 HB1 LYS A 368 0.526 18.478 -7.515 1.00 15.00 A H -ATOM 4315 HB2 LYS A 368 0.287 17.660 -9.055 1.00 15.00 A H -ATOM 4316 CG LYS A 368 1.787 19.159 -9.077 1.00 15.00 A C -ATOM 4317 HG1 LYS A 368 2.322 18.737 -9.914 1.00 15.00 A H -ATOM 4318 HG2 LYS A 368 2.487 19.598 -8.382 1.00 15.00 A H -ATOM 4319 CD LYS A 368 0.854 20.236 -9.580 1.00 15.00 A C -ATOM 4320 HD1 LYS A 368 0.394 20.723 -8.734 1.00 15.00 A H -ATOM 4321 HD2 LYS A 368 0.091 19.775 -10.189 1.00 15.00 A H -ATOM 4322 CE LYS A 368 1.583 21.275 -10.413 1.00 15.00 A C -ATOM 4323 HE1 LYS A 368 2.329 21.751 -9.798 1.00 15.00 A H -ATOM 4324 HE2 LYS A 368 0.868 22.014 -10.746 1.00 15.00 A H -ATOM 4325 NZ LYS A 368 2.246 20.674 -11.607 1.00 15.00 A N -ATOM 4326 HZ1 LYS A 368 2.996 20.017 -11.307 1.00 15.00 A H -ATOM 4327 HZ2 LYS A 368 2.670 21.421 -12.194 1.00 15.00 A H -ATOM 4328 HZ3 LYS A 368 1.551 20.153 -12.179 1.00 15.00 A H -ATOM 4329 C LYS A 368 2.580 16.247 -9.109 1.00 15.00 A C -ATOM 4330 O LYS A 368 1.900 15.722 -9.984 1.00 15.00 A O -ATOM 4331 N ASP A 369 3.900 16.282 -9.149 1.00 15.00 A N -ATOM 4332 HN ASP A 369 4.390 16.722 -8.421 1.00 15.00 A H -ATOM 4333 CA ASP A 369 4.647 15.685 -10.243 1.00 15.00 A C -ATOM 4334 HA ASP A 369 3.942 15.255 -10.939 1.00 15.00 A H -ATOM 4335 CB ASP A 369 5.479 16.757 -10.963 1.00 15.00 A C -ATOM 4336 HB1 ASP A 369 5.848 16.354 -11.895 1.00 15.00 A H -ATOM 4337 HB2 ASP A 369 6.318 17.027 -10.340 1.00 15.00 A H -ATOM 4338 CG ASP A 369 4.689 18.018 -11.267 1.00 15.00 A C -ATOM 4339 OD1 ASP A 369 4.147 18.126 -12.385 1.00 15.00 A O -ATOM 4340 OD2 ASP A 369 4.620 18.904 -10.388 1.00 15.00 A O -ATOM 4341 C ASP A 369 5.563 14.590 -9.713 1.00 15.00 A C -ATOM 4342 O ASP A 369 5.602 13.479 -10.242 1.00 15.00 A O -ATOM 4343 N LEU A 370 6.282 14.916 -8.646 1.00 15.00 A N -ATOM 4344 HN LEU A 370 6.176 15.812 -8.261 1.00 15.00 A H -ATOM 4345 CA LEU A 370 7.231 13.991 -8.035 1.00 15.00 A C -ATOM 4346 HA LEU A 370 7.461 13.222 -8.753 1.00 15.00 A H -ATOM 4347 CB LEU A 370 8.518 14.743 -7.689 1.00 15.00 A C -ATOM 4348 HB1 LEU A 370 8.858 14.397 -6.724 1.00 15.00 A H -ATOM 4349 HB2 LEU A 370 8.281 15.793 -7.607 1.00 15.00 A H -ATOM 4350 CG LEU A 370 9.673 14.591 -8.680 1.00 15.00 A C -ATOM 4351 HG LEU A 370 10.244 13.711 -8.425 1.00 15.00 A H -ATOM 4352 CD1 LEU A 370 9.154 14.422 -10.101 1.00 15.00 A C -ATOM 4353 HD11 LEU A 370 8.247 14.996 -10.223 1.00 15.00 A H -ATOM 4354 HD12 LEU A 370 8.948 13.378 -10.286 1.00 15.00 A H -ATOM 4355 HD13 LEU A 370 9.898 14.773 -10.800 1.00 15.00 A H -ATOM 4356 CD2 LEU A 370 10.596 15.795 -8.588 1.00 15.00 A C -ATOM 4357 HD21 LEU A 370 10.130 16.644 -9.066 1.00 15.00 A H -ATOM 4358 HD22 LEU A 370 11.531 15.572 -9.082 1.00 15.00 A H -ATOM 4359 HD23 LEU A 370 10.783 16.025 -7.550 1.00 15.00 A H -ATOM 4360 C LEU A 370 6.687 13.349 -6.767 1.00 15.00 A C -ATOM 4361 O LEU A 370 5.679 13.786 -6.208 1.00 15.00 A O ATOM 4362 N ARG A 371 7.374 12.297 -6.326 1.00 15.00 A N ATOM 4363 HN ARG A 371 8.138 11.975 -6.852 1.00 15.00 A H ATOM 4364 CA ARG A 371 7.021 11.600 -5.097 1.00 15.00 A C @@ -4424,519 +306,6 @@ ATOM 4382 HH21 ARG A 371 4.211 5.576 -8.156 1.00 15.00 A H ATOM 4383 HH22 ARG A 371 5.314 4.160 -8.320 1.00 15.00 A H ATOM 4384 C ARG A 371 7.808 12.220 -3.942 1.00 15.00 A C ATOM 4385 O ARG A 371 8.675 11.577 -3.351 1.00 15.00 A O -ATOM 4386 N SER A 372 7.502 13.481 -3.641 1.00 15.00 A N -ATOM 4387 HN SER A 372 6.783 13.926 -4.137 1.00 15.00 A H -ATOM 4388 CA SER A 372 8.190 14.214 -2.586 1.00 15.00 A C -ATOM 4389 HA SER A 372 8.842 13.526 -2.068 1.00 15.00 A H -ATOM 4390 CB SER A 372 9.030 15.336 -3.199 1.00 15.00 A C -ATOM 4391 HB1 SER A 372 9.579 15.840 -2.419 1.00 15.00 A H -ATOM 4392 HB2 SER A 372 8.375 16.042 -3.692 1.00 15.00 A H -ATOM 4393 OG SER A 372 9.946 14.827 -4.149 1.00 15.00 A O -ATOM 4394 HG SER A 372 9.477 14.270 -4.776 1.00 15.00 A H -ATOM 4395 C SER A 372 7.201 14.802 -1.594 1.00 15.00 A C -ATOM 4396 O SER A 372 6.194 15.397 -1.988 1.00 15.00 A O -ATOM 4397 N GLY A 373 7.497 14.637 -0.308 1.00 15.00 A N -ATOM 4398 HN GLY A 373 8.326 14.174 -0.064 1.00 15.00 A H -ATOM 4399 CA GLY A 373 6.625 15.154 0.729 1.00 15.00 A C -ATOM 4400 HA1 GLY A 373 6.343 16.165 0.470 1.00 15.00 A H -ATOM 4401 HA2 GLY A 373 7.165 15.172 1.663 1.00 15.00 A H -ATOM 4402 C GLY A 373 5.371 14.328 0.909 1.00 15.00 A C -ATOM 4403 O GLY A 373 4.972 13.581 0.012 1.00 15.00 A O -ATOM 4404 N TYR A 374 4.744 14.457 2.068 1.00 15.00 A N -ATOM 4405 HN TYR A 374 5.107 15.062 2.747 1.00 15.00 A H -ATOM 4406 CA TYR A 374 3.524 13.726 2.346 1.00 15.00 A C -ATOM 4407 HA TYR A 374 3.009 13.591 1.408 1.00 15.00 A H -ATOM 4408 CB TYR A 374 3.813 12.349 2.938 1.00 15.00 A C -ATOM 4409 HB1 TYR A 374 3.951 12.435 4.003 1.00 15.00 A H -ATOM 4410 HB2 TYR A 374 4.710 11.940 2.489 1.00 15.00 A H -ATOM 4411 CG TYR A 374 2.680 11.389 2.694 1.00 15.00 A C -ATOM 4412 CD1 TYR A 374 2.619 10.654 1.518 1.00 15.00 A C -ATOM 4413 HD1 TYR A 374 3.414 10.756 0.791 1.00 15.00 A H -ATOM 4414 CD2 TYR A 374 1.661 11.235 3.621 1.00 15.00 A C -ATOM 4415 HD2 TYR A 374 1.702 11.796 4.540 1.00 15.00 A H -ATOM 4416 CE1 TYR A 374 1.567 9.790 1.274 1.00 15.00 A C -ATOM 4417 HE1 TYR A 374 1.526 9.235 0.346 1.00 15.00 A H -ATOM 4418 CE2 TYR A 374 0.612 10.374 3.388 1.00 15.00 A C -ATOM 4419 HE2 TYR A 374 -0.176 10.272 4.123 1.00 15.00 A H -ATOM 4420 CZ TYR A 374 0.571 9.652 2.215 1.00 15.00 A C -ATOM 4421 OH TYR A 374 -0.478 8.804 1.979 1.00 15.00 A O -ATOM 4422 HH TYR A 374 -0.159 7.903 1.911 1.00 15.00 A H -ATOM 4423 C TYR A 374 2.619 14.517 3.278 1.00 15.00 A C -ATOM 4424 O TYR A 374 3.061 15.031 4.306 1.00 15.00 A O -ATOM 4425 N GLU A 375 1.351 14.619 2.899 1.00 15.00 A N -ATOM 4426 HN GLU A 375 1.068 14.200 2.058 1.00 15.00 A H -ATOM 4427 CA GLU A 375 0.372 15.347 3.687 1.00 15.00 A C -ATOM 4428 HA GLU A 375 0.793 15.518 4.665 1.00 15.00 A H -ATOM 4429 CB GLU A 375 0.066 16.697 3.036 1.00 15.00 A C -ATOM 4430 HB1 GLU A 375 0.994 17.226 2.880 1.00 15.00 A H -ATOM 4431 HB2 GLU A 375 -0.561 17.274 3.705 1.00 15.00 A H -ATOM 4432 CG GLU A 375 -0.647 16.573 1.695 1.00 15.00 A C -ATOM 4433 HG1 GLU A 375 -1.627 16.151 1.863 1.00 15.00 A H -ATOM 4434 HG2 GLU A 375 -0.077 15.912 1.061 1.00 15.00 A H -ATOM 4435 CD GLU A 375 -0.808 17.901 0.985 1.00 15.00 A C -ATOM 4436 OE1 GLU A 375 -1.537 18.772 1.506 1.00 15.00 A O -ATOM 4437 OE2 GLU A 375 -0.209 18.069 -0.099 1.00 15.00 A O -ATOM 4438 C GLU A 375 -0.916 14.551 3.833 1.00 15.00 A C -ATOM 4439 O GLU A 375 -1.254 13.728 2.982 1.00 15.00 A O -ATOM 4440 N THR A 376 -1.619 14.797 4.930 1.00 15.00 A N -ATOM 4441 HN THR A 376 -1.274 15.449 5.574 1.00 15.00 A H -ATOM 4442 CA THR A 376 -2.885 14.133 5.216 1.00 15.00 A C -ATOM 4443 HA THR A 376 -3.216 13.627 4.321 1.00 15.00 A H -ATOM 4444 CB THR A 376 -2.763 13.101 6.356 1.00 15.00 A C -ATOM 4445 HB THR A 376 -3.725 12.628 6.487 1.00 15.00 A H -ATOM 4446 OG1 THR A 376 -2.397 13.756 7.578 1.00 15.00 A O -ATOM 4447 HG1 THR A 376 -3.092 14.368 7.834 1.00 15.00 A H -ATOM 4448 CG2 THR A 376 -1.738 12.027 6.032 1.00 15.00 A C -ATOM 4449 HG21 THR A 376 -1.657 11.349 6.869 1.00 15.00 A H -ATOM 4450 HG22 THR A 376 -0.781 12.488 5.846 1.00 15.00 A H -ATOM 4451 HG23 THR A 376 -2.055 11.479 5.156 1.00 15.00 A H -ATOM 4452 C THR A 376 -3.919 15.163 5.632 1.00 15.00 A C -ATOM 4453 O THR A 376 -3.593 16.099 6.355 1.00 15.00 A O -ATOM 4454 N PHE A 377 -5.157 15.010 5.182 1.00 15.00 A N -ATOM 4455 HN PHE A 377 -5.373 14.264 4.582 1.00 15.00 A H -ATOM 4456 CA PHE A 377 -6.199 15.961 5.558 1.00 15.00 A C -ATOM 4457 HA PHE A 377 -6.052 16.190 6.600 1.00 15.00 A H -ATOM 4458 CB PHE A 377 -6.065 17.260 4.755 1.00 15.00 A C -ATOM 4459 HB1 PHE A 377 -5.203 17.799 5.111 1.00 15.00 A H -ATOM 4460 HB2 PHE A 377 -6.943 17.863 4.912 1.00 15.00 A H -ATOM 4461 CG PHE A 377 -5.906 17.056 3.276 1.00 15.00 A C -ATOM 4462 CD1 PHE A 377 -6.979 16.652 2.498 1.00 15.00 A C -ATOM 4463 HD1 PHE A 377 -7.939 16.483 2.963 1.00 15.00 A H -ATOM 4464 CD2 PHE A 377 -4.681 17.268 2.663 1.00 15.00 A C -ATOM 4465 HD2 PHE A 377 -3.839 17.590 3.256 1.00 15.00 A H -ATOM 4466 CE1 PHE A 377 -6.834 16.465 1.139 1.00 15.00 A C -ATOM 4467 HE1 PHE A 377 -7.682 16.164 0.543 1.00 15.00 A H -ATOM 4468 CE2 PHE A 377 -4.531 17.082 1.302 1.00 15.00 A C -ATOM 4469 HE2 PHE A 377 -3.575 17.252 0.835 1.00 15.00 A H -ATOM 4470 CZ PHE A 377 -5.610 16.675 0.541 1.00 15.00 A C -ATOM 4471 HZ PHE A 377 -5.497 16.536 -0.527 1.00 15.00 A H -ATOM 4472 C PHE A 377 -7.598 15.387 5.400 1.00 15.00 A C -ATOM 4473 O PHE A 377 -7.795 14.319 4.818 1.00 15.00 A O -ATOM 4474 N LYS A 378 -8.564 16.125 5.931 1.00 15.00 A N -ATOM 4475 HN LYS A 378 -8.323 16.957 6.391 1.00 15.00 A H -ATOM 4476 CA LYS A 378 -9.965 15.743 5.867 1.00 15.00 A C -ATOM 4477 HA LYS A 378 -10.021 14.716 5.544 1.00 15.00 A H -ATOM 4478 CB LYS A 378 -10.608 15.867 7.250 1.00 15.00 A C -ATOM 4479 HB1 LYS A 378 -10.615 16.909 7.540 1.00 15.00 A H -ATOM 4480 HB2 LYS A 378 -10.019 15.307 7.963 1.00 15.00 A H -ATOM 4481 CG LYS A 378 -12.034 15.348 7.298 1.00 15.00 A C -ATOM 4482 HG1 LYS A 378 -12.016 14.307 7.590 1.00 15.00 A H -ATOM 4483 HG2 LYS A 378 -12.470 15.445 6.317 1.00 15.00 A H -ATOM 4484 CD LYS A 378 -12.879 16.127 8.292 1.00 15.00 A C -ATOM 4485 HD1 LYS A 378 -13.839 16.344 7.845 1.00 15.00 A H -ATOM 4486 HD2 LYS A 378 -12.375 17.049 8.531 1.00 15.00 A H -ATOM 4487 CE LYS A 378 -13.099 15.343 9.574 1.00 15.00 A C -ATOM 4488 HE1 LYS A 378 -13.186 16.039 10.396 1.00 15.00 A H -ATOM 4489 HE2 LYS A 378 -12.247 14.701 9.738 1.00 15.00 A H -ATOM 4490 NZ LYS A 378 -14.328 14.502 9.520 1.00 15.00 A N -ATOM 4491 HZ1 LYS A 378 -14.488 14.042 10.440 1.00 15.00 A H -ATOM 4492 HZ2 LYS A 378 -14.229 13.768 8.792 1.00 15.00 A H -ATOM 4493 HZ3 LYS A 378 -15.154 15.091 9.292 1.00 15.00 A H -ATOM 4494 C LYS A 378 -10.724 16.619 4.875 1.00 15.00 A C -ATOM 4495 O LYS A 378 -10.761 17.844 5.009 1.00 15.00 A O -ATOM 4496 N VAL A 379 -11.335 15.986 3.882 1.00 15.00 A N -ATOM 4497 HN VAL A 379 -11.267 15.011 3.821 1.00 15.00 A H -ATOM 4498 CA VAL A 379 -12.109 16.709 2.884 1.00 15.00 A C -ATOM 4499 HA VAL A 379 -11.794 17.742 2.902 1.00 15.00 A H -ATOM 4500 CB VAL A 379 -11.883 16.157 1.458 1.00 15.00 A C -ATOM 4501 HB VAL A 379 -12.280 15.152 1.411 1.00 15.00 A H -ATOM 4502 CG1 VAL A 379 -12.623 17.009 0.436 1.00 15.00 A C -ATOM 4503 HG11 VAL A 379 -12.153 17.980 0.369 1.00 15.00 A H -ATOM 4504 HG12 VAL A 379 -13.650 17.127 0.746 1.00 15.00 A H -ATOM 4505 HG13 VAL A 379 -12.590 16.528 -0.530 1.00 15.00 A H -ATOM 4506 CG2 VAL A 379 -10.398 16.097 1.132 1.00 15.00 A C -ATOM 4507 HG21 VAL A 379 -9.953 15.249 1.628 1.00 15.00 A H -ATOM 4508 HG22 VAL A 379 -9.919 17.004 1.474 1.00 15.00 A H -ATOM 4509 HG23 VAL A 379 -10.265 16.002 0.064 1.00 15.00 A H -ATOM 4510 C VAL A 379 -13.597 16.641 3.223 1.00 15.00 A C -ATOM 4511 O VAL A 379 -14.210 15.580 3.131 1.00 15.00 A O -ATOM 4512 N ILE A 380 -14.156 17.776 3.647 1.00 15.00 A N -ATOM 4513 HN ILE A 380 -13.591 18.571 3.741 1.00 15.00 A H -ATOM 4514 CA ILE A 380 -15.577 17.870 4.000 1.00 15.00 A C -ATOM 4515 HA ILE A 380 -15.788 17.122 4.752 1.00 15.00 A H -ATOM 4516 CB ILE A 380 -15.920 19.259 4.584 1.00 15.00 A C -ATOM 4517 HB ILE A 380 -16.009 19.958 3.764 1.00 15.00 A H -ATOM 4518 CG1 ILE A 380 -14.808 19.729 5.526 1.00 15.00 A C -ATOM 4519 HG11 ILE A 380 -13.860 19.650 5.018 1.00 15.00 A H -ATOM 4520 HG12 ILE A 380 -14.798 19.098 6.401 1.00 15.00 A H -ATOM 4521 CG2 ILE A 380 -17.258 19.212 5.312 1.00 15.00 A C -ATOM 4522 HG21 ILE A 380 -17.133 18.723 6.267 1.00 15.00 A H -ATOM 4523 HG22 ILE A 380 -17.973 18.665 4.717 1.00 15.00 A H -ATOM 4524 HG23 ILE A 380 -17.617 20.219 5.469 1.00 15.00 A H -ATOM 4525 CD1 ILE A 380 -14.963 21.158 5.994 1.00 15.00 A C -ATOM 4526 HD11 ILE A 380 -14.067 21.463 6.512 1.00 15.00 A H -ATOM 4527 HD12 ILE A 380 -15.807 21.226 6.664 1.00 15.00 A H -ATOM 4528 HD13 ILE A 380 -15.125 21.801 5.141 1.00 15.00 A H -ATOM 4529 C ILE A 380 -16.459 17.612 2.781 1.00 15.00 A C -ATOM 4530 O ILE A 380 -16.520 18.430 1.863 1.00 15.00 A O -ATOM 4531 N GLY A 381 -17.150 16.472 2.788 1.00 15.00 A N -ATOM 4532 HN GLY A 381 -17.080 15.873 3.560 1.00 15.00 A H -ATOM 4533 CA GLY A 381 -17.999 16.106 1.667 1.00 15.00 A C -ATOM 4534 HA1 GLY A 381 -18.402 17.006 1.219 1.00 15.00 A H -ATOM 4535 HA2 GLY A 381 -18.811 15.493 2.022 1.00 15.00 A H -ATOM 4536 C GLY A 381 -17.215 15.344 0.616 1.00 15.00 A C -ATOM 4537 O GLY A 381 -17.755 14.955 -0.418 1.00 15.00 A O -ATOM 4538 N GLY A 382 -15.935 15.119 0.920 1.00 15.00 A N -ATOM 4539 HN GLY A 382 -15.604 15.435 1.788 1.00 15.00 A H -ATOM 4540 CA GLY A 382 -15.015 14.431 0.026 1.00 15.00 A C -ATOM 4541 HA1 GLY A 382 -14.054 14.368 0.519 1.00 15.00 A H -ATOM 4542 HA2 GLY A 382 -14.896 15.018 -0.871 1.00 15.00 A H -ATOM 4543 C GLY A 382 -15.437 13.029 -0.366 1.00 15.00 A C -ATOM 4544 O GLY A 382 -14.975 12.506 -1.381 1.00 15.00 A O -ATOM 4545 N TRP A 383 -16.304 12.408 0.412 1.00 15.00 A N -ATOM 4546 HN TRP A 383 -16.662 12.862 1.204 1.00 15.00 A H -ATOM 4547 CA TRP A 383 -16.728 11.052 0.104 1.00 15.00 A C -ATOM 4548 HA TRP A 383 -15.961 10.608 -0.515 1.00 15.00 A H -ATOM 4549 CB TRP A 383 -16.848 10.209 1.378 1.00 15.00 A C -ATOM 4550 HB1 TRP A 383 -17.548 10.673 2.057 1.00 15.00 A H -ATOM 4551 HB2 TRP A 383 -15.878 10.139 1.857 1.00 15.00 A H -ATOM 4552 CG TRP A 383 -17.334 8.824 1.083 1.00 15.00 A C -ATOM 4553 CD1 TRP A 383 -18.544 8.276 1.408 1.00 15.00 A C -ATOM 4554 HD1 TRP A 383 -19.325 8.803 1.939 1.00 15.00 A H -ATOM 4555 CD2 TRP A 383 -16.611 7.813 0.386 1.00 15.00 A C -ATOM 4556 NE1 TRP A 383 -18.625 6.993 0.923 1.00 15.00 A N -ATOM 4557 HE1 TRP A 383 -19.393 6.398 1.015 1.00 15.00 A H -ATOM 4558 CE2 TRP A 383 -17.441 6.682 0.302 1.00 15.00 A C -ATOM 4559 CE3 TRP A 383 -15.335 7.756 -0.179 1.00 15.00 A C -ATOM 4560 HE3 TRP A 383 -14.665 8.607 -0.135 1.00 15.00 A H -ATOM 4561 CZ2 TRP A 383 -17.035 5.509 -0.332 1.00 15.00 A C -ATOM 4562 HZ2 TRP A 383 -17.678 4.648 -0.400 1.00 15.00 A H -ATOM 4563 CZ3 TRP A 383 -14.930 6.592 -0.802 1.00 15.00 A C -ATOM 4564 HZ3 TRP A 383 -13.942 6.528 -1.231 1.00 15.00 A H -ATOM 4565 CH2 TRP A 383 -15.776 5.479 -0.875 1.00 15.00 A C -ATOM 4566 HH2 TRP A 383 -15.422 4.594 -1.379 1.00 15.00 A H -ATOM 4567 C TRP A 383 -18.053 10.984 -0.662 1.00 15.00 A C -ATOM 4568 O TRP A 383 -18.253 10.064 -1.463 1.00 15.00 A O -ATOM 4569 N SER A 384 -18.946 11.942 -0.457 1.00 15.00 A N -ATOM 4570 HN SER A 384 -18.726 12.704 0.115 1.00 15.00 A H -ATOM 4571 CA SER A 384 -20.259 11.857 -1.097 1.00 15.00 A C -ATOM 4572 HA SER A 384 -20.289 10.912 -1.620 1.00 15.00 A H -ATOM 4573 CB SER A 384 -21.336 11.818 -0.012 1.00 15.00 A C -ATOM 4574 HB1 SER A 384 -22.308 11.721 -0.472 1.00 15.00 A H -ATOM 4575 HB2 SER A 384 -21.297 12.728 0.564 1.00 15.00 A H -ATOM 4576 OG SER A 384 -21.136 10.716 0.865 1.00 15.00 A O -ATOM 4577 HG SER A 384 -21.978 10.285 1.040 1.00 15.00 A H -ATOM 4578 C SER A 384 -20.575 12.968 -2.114 1.00 15.00 A C -ATOM 4579 O SER A 384 -21.370 12.738 -3.026 1.00 15.00 A O -ATOM 4580 N THR A 385 -19.978 14.160 -1.986 1.00 15.00 A N -ATOM 4581 HN THR A 385 -19.328 14.304 -1.267 1.00 15.00 A H -ATOM 4582 CA THR A 385 -20.295 15.253 -2.922 1.00 15.00 A C -ATOM 4583 HA THR A 385 -21.234 14.998 -3.384 1.00 15.00 A H -ATOM 4584 CB THR A 385 -20.503 16.609 -2.191 1.00 15.00 A C -ATOM 4585 HB THR A 385 -20.941 17.310 -2.889 1.00 15.00 A H -ATOM 4586 OG1 THR A 385 -19.259 17.138 -1.733 1.00 15.00 A O -ATOM 4587 HG1 THR A 385 -18.997 17.874 -2.292 1.00 15.00 A H -ATOM 4588 CG2 THR A 385 -21.453 16.450 -1.011 1.00 15.00 A C -ATOM 4589 HG21 THR A 385 -21.049 15.725 -0.319 1.00 15.00 A H -ATOM 4590 HG22 THR A 385 -22.414 16.113 -1.365 1.00 15.00 A H -ATOM 4591 HG23 THR A 385 -21.566 17.400 -0.509 1.00 15.00 A H -ATOM 4592 C THR A 385 -19.252 15.425 -4.042 1.00 15.00 A C -ATOM 4593 O THR A 385 -18.103 15.783 -3.787 1.00 15.00 A O -ATOM 4594 N PRO A 386 -19.645 15.127 -5.305 1.00 15.00 A N -ATOM 4595 CA PRO A 386 -18.784 15.269 -6.500 1.00 15.00 A C -ATOM 4596 HA PRO A 386 -18.102 14.436 -6.597 1.00 15.00 A H -ATOM 4597 CB PRO A 386 -19.778 15.236 -7.671 1.00 15.00 A C -ATOM 4598 HB1 PRO A 386 -19.467 14.503 -8.395 1.00 15.00 A H -ATOM 4599 HB2 PRO A 386 -19.816 16.215 -8.128 1.00 15.00 A H -ATOM 4600 CG PRO A 386 -21.119 14.879 -7.116 1.00 15.00 A C -ATOM 4601 HG1 PRO A 386 -21.518 14.034 -7.658 1.00 15.00 A H -ATOM 4602 HG2 PRO A 386 -21.784 15.725 -7.205 1.00 15.00 A H -ATOM 4603 CD PRO A 386 -20.940 14.518 -5.671 1.00 15.00 A C -ATOM 4604 HD1 PRO A 386 -20.905 13.441 -5.561 1.00 15.00 A H -ATOM 4605 HD2 PRO A 386 -21.743 14.933 -5.082 1.00 15.00 A H -ATOM 4606 C PRO A 386 -17.998 16.585 -6.594 1.00 15.00 A C -ATOM 4607 O PRO A 386 -18.593 17.650 -6.784 1.00 15.00 A O -ATOM 4608 N ASN A 387 -16.661 16.481 -6.469 1.00 15.00 A N -ATOM 4609 HN ASN A 387 -16.287 15.606 -6.265 1.00 15.00 A H -ATOM 4610 CA ASN A 387 -15.727 17.623 -6.605 1.00 15.00 A C -ATOM 4611 HA ASN A 387 -14.751 17.198 -6.786 1.00 15.00 A H -ATOM 4612 CB ASN A 387 -16.086 18.485 -7.816 1.00 15.00 A C -ATOM 4613 HB1 ASN A 387 -16.763 19.264 -7.508 1.00 15.00 A H -ATOM 4614 HB2 ASN A 387 -16.576 17.860 -8.549 1.00 15.00 A H -ATOM 4615 CG ASN A 387 -14.883 19.123 -8.478 1.00 15.00 A C -ATOM 4616 OD1 ASN A 387 -14.924 20.276 -8.906 1.00 15.00 A O -ATOM 4617 ND2 ASN A 387 -13.790 18.385 -8.543 1.00 15.00 A N -ATOM 4618 HD21 ASN A 387 -13.813 17.492 -8.143 1.00 15.00 A H -ATOM 4619 HD22 ASN A 387 -13.031 18.733 -9.035 1.00 15.00 A H -ATOM 4620 C ASN A 387 -15.617 18.491 -5.351 1.00 15.00 A C -ATOM 4621 O ASN A 387 -15.307 19.682 -5.436 1.00 15.00 A O -ATOM 4622 N SER A 388 -15.853 17.899 -4.185 1.00 15.00 A N -ATOM 4623 HN SER A 388 -16.120 16.955 -4.171 1.00 15.00 A H -ATOM 4624 CA SER A 388 -15.736 18.635 -2.929 1.00 15.00 A C -ATOM 4625 HA SER A 388 -16.297 19.554 -3.027 1.00 15.00 A H -ATOM 4626 CB SER A 388 -16.306 17.817 -1.783 1.00 15.00 A C -ATOM 4627 HB1 SER A 388 -17.376 17.955 -1.740 1.00 15.00 A H -ATOM 4628 HB2 SER A 388 -15.863 18.138 -0.852 1.00 15.00 A H -ATOM 4629 OG SER A 388 -16.031 16.445 -1.967 1.00 15.00 A O -ATOM 4630 HG SER A 388 -16.434 15.942 -1.253 1.00 15.00 A H -ATOM 4631 C SER A 388 -14.271 18.970 -2.660 1.00 15.00 A C -ATOM 4632 O SER A 388 -13.408 18.096 -2.742 1.00 15.00 A O -ATOM 4633 N LYS A 389 -13.986 20.223 -2.317 1.00 15.00 A N -ATOM 4634 HN LYS A 389 -14.710 20.875 -2.206 1.00 15.00 A H -ATOM 4635 CA LYS A 389 -12.601 20.634 -2.101 1.00 15.00 A C -ATOM 4636 HA LYS A 389 -11.995 19.743 -2.122 1.00 15.00 A H -ATOM 4637 CB LYS A 389 -12.157 21.541 -3.248 1.00 15.00 A C -ATOM 4638 HB1 LYS A 389 -11.145 21.867 -3.065 1.00 15.00 A H -ATOM 4639 HB2 LYS A 389 -12.805 22.405 -3.281 1.00 15.00 A H -ATOM 4640 CG LYS A 389 -12.202 20.868 -4.610 1.00 15.00 A C -ATOM 4641 HG1 LYS A 389 -13.232 20.771 -4.925 1.00 15.00 A H -ATOM 4642 HG2 LYS A 389 -11.752 19.889 -4.535 1.00 15.00 A H -ATOM 4643 CD LYS A 389 -11.444 21.682 -5.641 1.00 15.00 A C -ATOM 4644 HD1 LYS A 389 -10.408 21.740 -5.343 1.00 15.00 A H -ATOM 4645 HD2 LYS A 389 -11.866 22.674 -5.676 1.00 15.00 A H -ATOM 4646 CE LYS A 389 -11.527 21.065 -7.026 1.00 15.00 A C -ATOM 4647 HE1 LYS A 389 -12.541 21.162 -7.389 1.00 15.00 A H -ATOM 4648 HE2 LYS A 389 -11.270 20.017 -6.956 1.00 15.00 A H -ATOM 4649 NZ LYS A 389 -10.601 21.728 -7.989 1.00 15.00 A N -ATOM 4650 HZ1 LYS A 389 -10.668 21.271 -8.924 1.00 15.00 A H -ATOM 4651 HZ2 LYS A 389 -9.620 21.653 -7.651 1.00 15.00 A H -ATOM 4652 HZ3 LYS A 389 -10.844 22.733 -8.089 1.00 15.00 A H -ATOM 4653 C LYS A 389 -12.378 21.336 -0.758 1.00 15.00 A C -ATOM 4654 O LYS A 389 -11.301 21.889 -0.523 1.00 15.00 A O -ATOM 4655 N SER A 390 -13.376 21.303 0.122 1.00 15.00 A N -ATOM 4656 HN SER A 390 -14.209 20.842 -0.113 1.00 15.00 A H -ATOM 4657 CA SER A 390 -13.249 21.934 1.438 1.00 15.00 A C -ATOM 4658 HA SER A 390 -12.816 22.913 1.290 1.00 15.00 A H -ATOM 4659 CB SER A 390 -14.625 22.087 2.089 1.00 15.00 A C -ATOM 4660 HB1 SER A 390 -14.523 22.623 3.020 1.00 15.00 A H -ATOM 4661 HB2 SER A 390 -15.043 21.110 2.279 1.00 15.00 A H -ATOM 4662 OG SER A 390 -15.509 22.803 1.245 1.00 15.00 A O -ATOM 4663 HG SER A 390 -15.380 23.748 1.370 1.00 15.00 A H -ATOM 4664 C SER A 390 -12.314 21.111 2.326 1.00 15.00 A C -ATOM 4665 O SER A 390 -12.675 20.034 2.792 1.00 15.00 A O -ATOM 4666 N GLN A 391 -11.110 21.636 2.562 1.00 15.00 A N -ATOM 4667 HN GLN A 391 -10.900 22.521 2.200 1.00 15.00 A H -ATOM 4668 CA GLN A 391 -10.093 20.926 3.347 1.00 15.00 A C -ATOM 4669 HA GLN A 391 -10.381 19.888 3.392 1.00 15.00 A H -ATOM 4670 CB GLN A 391 -8.747 21.025 2.622 1.00 15.00 A C -ATOM 4671 HB1 GLN A 391 -8.491 22.068 2.505 1.00 15.00 A H -ATOM 4672 HB2 GLN A 391 -8.848 20.580 1.643 1.00 15.00 A H -ATOM 4673 CG GLN A 391 -7.596 20.334 3.334 1.00 15.00 A C -ATOM 4674 HG1 GLN A 391 -7.717 19.265 3.236 1.00 15.00 A H -ATOM 4675 HG2 GLN A 391 -7.622 20.605 4.380 1.00 15.00 A H -ATOM 4676 CD GLN A 391 -6.249 20.728 2.760 1.00 15.00 A C -ATOM 4677 OE1 GLN A 391 -5.246 20.767 3.468 1.00 15.00 A O -ATOM 4678 NE2 GLN A 391 -6.226 21.025 1.468 1.00 15.00 A N -ATOM 4679 HE21 GLN A 391 -7.066 20.974 0.968 1.00 15.00 A H -ATOM 4680 HE22 GLN A 391 -5.371 21.286 1.068 1.00 15.00 A H -ATOM 4681 C GLN A 391 -9.953 21.455 4.777 1.00 15.00 A C -ATOM 4682 O GLN A 391 -10.150 22.645 5.044 1.00 15.00 A O -ATOM 4683 N ILE A 392 -9.602 20.543 5.694 1.00 15.00 A N -ATOM 4684 HN ILE A 392 -9.481 19.614 5.407 1.00 15.00 A H -ATOM 4685 CA ILE A 392 -9.406 20.877 7.102 1.00 15.00 A C -ATOM 4686 HA ILE A 392 -8.833 21.792 7.151 1.00 15.00 A H -ATOM 4687 CB ILE A 392 -10.757 21.103 7.814 1.00 15.00 A C -ATOM 4688 HB ILE A 392 -11.395 21.655 7.144 1.00 15.00 A H -ATOM 4689 CG1 ILE A 392 -10.558 21.918 9.096 1.00 15.00 A C -ATOM 4690 HG11 ILE A 392 -9.935 22.772 8.878 1.00 15.00 A H -ATOM 4691 HG12 ILE A 392 -10.070 21.301 9.835 1.00 15.00 A H -ATOM 4692 CG2 ILE A 392 -11.444 19.774 8.120 1.00 15.00 A C -ATOM 4693 HG21 ILE A 392 -10.744 19.106 8.604 1.00 15.00 A H -ATOM 4694 HG22 ILE A 392 -11.793 19.325 7.201 1.00 15.00 A H -ATOM 4695 HG23 ILE A 392 -12.284 19.947 8.777 1.00 15.00 A H -ATOM 4696 CD1 ILE A 392 -11.850 22.425 9.693 1.00 15.00 A C -ATOM 4697 HD11 ILE A 392 -11.629 23.130 10.481 1.00 15.00 A H -ATOM 4698 HD12 ILE A 392 -12.408 21.594 10.101 1.00 15.00 A H -ATOM 4699 HD13 ILE A 392 -12.437 22.911 8.928 1.00 15.00 A H -ATOM 4700 C ILE A 392 -8.627 19.770 7.818 1.00 15.00 A C -ATOM 4701 O ILE A 392 -8.603 18.626 7.362 1.00 15.00 A O -ATOM 4702 N ASN A 393 -7.977 20.130 8.932 1.00 15.00 A N -ATOM 4703 HN ASN A 393 -8.026 21.064 9.225 1.00 15.00 A H -ATOM 4704 CA ASN A 393 -7.197 19.181 9.730 1.00 15.00 A C -ATOM 4705 HA ASN A 393 -6.786 19.725 10.568 1.00 15.00 A H -ATOM 4706 CB ASN A 393 -8.102 18.059 10.270 1.00 15.00 A C -ATOM 4707 HB1 ASN A 393 -7.475 17.283 10.691 1.00 15.00 A H -ATOM 4708 HB2 ASN A 393 -8.673 17.645 9.457 1.00 15.00 A H -ATOM 4709 CG ASN A 393 -9.071 18.522 11.347 1.00 15.00 A C -ATOM 4710 OD1 ASN A 393 -10.215 18.071 11.403 1.00 15.00 A O -ATOM 4711 ND2 ASN A 393 -8.628 19.437 12.201 1.00 15.00 A N -ATOM 4712 HD21 ASN A 393 -7.719 19.778 12.079 1.00 15.00 A H -ATOM 4713 HD22 ASN A 393 -9.206 19.695 12.942 1.00 15.00 A H -ATOM 4714 C ASN A 393 -6.033 18.583 8.924 1.00 15.00 A C -ATOM 4715 O ASN A 393 -5.785 17.376 8.986 1.00 15.00 A O -ATOM 4716 N ARG A 394 -5.329 19.431 8.162 1.00 15.00 A N -ATOM 4717 HN ARG A 394 -5.596 20.374 8.126 1.00 15.00 A H -ATOM 4718 CA ARG A 394 -4.182 18.976 7.361 1.00 15.00 A C -ATOM 4719 HA ARG A 394 -4.429 17.992 6.982 1.00 15.00 A H -ATOM 4720 CB ARG A 394 -3.896 19.912 6.164 1.00 15.00 A C -ATOM 4721 HB1 ARG A 394 -4.696 20.630 6.086 1.00 15.00 A H -ATOM 4722 HB2 ARG A 394 -3.877 19.315 5.261 1.00 15.00 A H -ATOM 4723 CG ARG A 394 -2.564 20.679 6.250 1.00 15.00 A C -ATOM 4724 HG1 ARG A 394 -1.981 20.275 7.066 1.00 15.00 A H -ATOM 4725 HG2 ARG A 394 -2.773 21.720 6.437 1.00 15.00 A H -ATOM 4726 CD ARG A 394 -1.754 20.564 4.961 1.00 15.00 A C -ATOM 4727 HD1 ARG A 394 -2.371 20.883 4.135 1.00 15.00 A H -ATOM 4728 HD2 ARG A 394 -1.472 19.531 4.821 1.00 15.00 A H -ATOM 4729 NE ARG A 394 -0.536 21.383 4.983 1.00 15.00 A N -ATOM 4730 HE ARG A 394 -0.434 22.028 5.713 1.00 15.00 A H -ATOM 4731 CZ ARG A 394 0.427 21.297 4.066 1.00 15.00 A C -ATOM 4732 NH1 ARG A 394 0.314 20.427 3.070 1.00 15.00 A N -ATOM 4733 HH11 ARG A 394 -0.529 19.818 3.008 1.00 15.00 A H -ATOM 4734 HH12 ARG A 394 1.060 20.353 2.349 1.00 15.00 A H -ATOM 4735 NH2 ARG A 394 1.494 22.087 4.139 1.00 15.00 A N -ATOM 4736 HH21 ARG A 394 1.579 22.777 4.912 1.00 15.00 A H -ATOM 4737 HH22 ARG A 394 2.245 22.017 3.421 1.00 15.00 A H -ATOM 4738 C ARG A 394 -2.937 18.860 8.225 1.00 15.00 A C -ATOM 4739 O ARG A 394 -2.711 19.675 9.122 1.00 15.00 A O -ATOM 4740 N GLN A 395 -2.130 17.844 7.946 1.00 15.00 A N -ATOM 4741 HN GLN A 395 -2.373 17.229 7.219 1.00 15.00 A H -ATOM 4742 CA GLN A 395 -0.901 17.615 8.690 1.00 15.00 A C -ATOM 4743 HA GLN A 395 -0.655 18.520 9.221 1.00 15.00 A H -ATOM 4744 CB GLN A 395 -1.075 16.478 9.691 1.00 15.00 A C -ATOM 4745 HB1 GLN A 395 -0.165 16.385 10.266 1.00 15.00 A H -ATOM 4746 HB2 GLN A 395 -1.232 15.560 9.144 1.00 15.00 A H -ATOM 4747 CG GLN A 395 -2.226 16.638 10.658 1.00 15.00 A C -ATOM 4748 HG1 GLN A 395 -3.143 16.782 10.105 1.00 15.00 A H -ATOM 4749 HG2 GLN A 395 -2.040 17.498 11.287 1.00 15.00 A H -ATOM 4750 CD GLN A 395 -2.365 15.415 11.533 1.00 15.00 A C -ATOM 4751 OE1 GLN A 395 -3.466 14.928 11.778 1.00 15.00 A O -ATOM 4752 NE2 GLN A 395 -1.231 14.923 12.020 1.00 15.00 A N -ATOM 4753 HE21 GLN A 395 -0.394 15.378 11.787 1.00 15.00 A H -ATOM 4754 HE22 GLN A 395 -1.276 14.125 12.585 1.00 15.00 A H -ATOM 4755 C GLN A 395 0.247 17.239 7.765 1.00 15.00 A C -ATOM 4756 O GLN A 395 0.065 16.473 6.820 1.00 15.00 A O -ATOM 4757 N VAL A 396 1.432 17.772 8.048 1.00 15.00 A N -ATOM 4758 HN VAL A 396 1.507 18.408 8.792 1.00 15.00 A H -ATOM 4759 CA VAL A 396 2.616 17.441 7.270 1.00 15.00 A C -ATOM 4760 HA VAL A 396 2.294 17.147 6.278 1.00 15.00 A H -ATOM 4761 CB VAL A 396 3.593 18.630 7.131 1.00 15.00 A C -ATOM 4762 HB VAL A 396 3.770 19.048 8.109 1.00 15.00 A H -ATOM 4763 CG1 VAL A 396 4.926 18.156 6.566 1.00 15.00 A C -ATOM 4764 HG11 VAL A 396 5.379 17.458 7.254 1.00 15.00 A H -ATOM 4765 HG12 VAL A 396 5.584 19.000 6.423 1.00 15.00 A H -ATOM 4766 HG13 VAL A 396 4.759 17.667 5.617 1.00 15.00 A H -ATOM 4767 CG2 VAL A 396 3.001 19.715 6.246 1.00 15.00 A C -ATOM 4768 HG21 VAL A 396 1.983 19.910 6.545 1.00 15.00 A H -ATOM 4769 HG22 VAL A 396 3.017 19.387 5.215 1.00 15.00 A H -ATOM 4770 HG23 VAL A 396 3.584 20.619 6.342 1.00 15.00 A H -ATOM 4771 C VAL A 396 3.342 16.267 7.924 1.00 15.00 A C -ATOM 4772 O VAL A 396 3.748 16.344 9.081 1.00 15.00 A O -ATOM 4773 N ILE A 397 3.477 15.178 7.179 1.00 15.00 A N -ATOM 4774 HN ILE A 397 3.101 15.175 6.272 1.00 15.00 A H -ATOM 4775 CA ILE A 397 4.159 13.986 7.668 1.00 15.00 A C -ATOM 4776 HA ILE A 397 4.109 13.987 8.747 1.00 15.00 A H -ATOM 4777 CB ILE A 397 3.458 12.716 7.142 1.00 15.00 A C -ATOM 4778 HB ILE A 397 3.605 12.656 6.074 1.00 15.00 A H -ATOM 4779 CG1 ILE A 397 1.961 12.821 7.437 1.00 15.00 A C -ATOM 4780 HG11 ILE A 397 1.436 12.019 6.942 1.00 15.00 A H -ATOM 4781 HG12 ILE A 397 1.598 13.767 7.064 1.00 15.00 A H -ATOM 4782 CG2 ILE A 397 4.044 11.462 7.778 1.00 15.00 A C -ATOM 4783 HG21 ILE A 397 5.068 11.342 7.462 1.00 15.00 A H -ATOM 4784 HG22 ILE A 397 3.468 10.599 7.472 1.00 15.00 A H -ATOM 4785 HG23 ILE A 397 4.005 11.554 8.854 1.00 15.00 A H -ATOM 4786 CD1 ILE A 397 1.636 12.754 8.917 1.00 15.00 A C -ATOM 4787 HD11 ILE A 397 2.086 13.600 9.421 1.00 15.00 A H -ATOM 4788 HD12 ILE A 397 2.034 11.840 9.332 1.00 15.00 A H -ATOM 4789 HD13 ILE A 397 0.568 12.781 9.055 1.00 15.00 A H -ATOM 4790 C ILE A 397 5.618 14.026 7.239 1.00 15.00 A C -ATOM 4791 O ILE A 397 6.522 13.752 8.023 1.00 15.00 A O -ATOM 4792 N VAL A 398 5.821 14.391 5.980 1.00 15.00 A N -ATOM 4793 HN VAL A 398 5.041 14.571 5.413 1.00 15.00 A H -ATOM 4794 CA VAL A 398 7.149 14.539 5.400 1.00 15.00 A C -ATOM 4795 HA VAL A 398 7.871 14.577 6.204 1.00 15.00 A H -ATOM 4796 CB VAL A 398 7.503 13.367 4.447 1.00 15.00 A C -ATOM 4797 HB VAL A 398 6.840 13.412 3.593 1.00 15.00 A H -ATOM 4798 CG1 VAL A 398 8.933 13.488 3.942 1.00 15.00 A C -ATOM 4799 HG11 VAL A 398 9.431 14.289 4.467 1.00 15.00 A H -ATOM 4800 HG12 VAL A 398 8.926 13.702 2.885 1.00 15.00 A H -ATOM 4801 HG13 VAL A 398 9.457 12.561 4.120 1.00 15.00 A H -ATOM 4802 CG2 VAL A 398 7.300 12.025 5.135 1.00 15.00 A C -ATOM 4803 HG21 VAL A 398 6.271 11.936 5.450 1.00 15.00 A H -ATOM 4804 HG22 VAL A 398 7.947 11.961 5.998 1.00 15.00 A H -ATOM 4805 HG23 VAL A 398 7.537 11.227 4.447 1.00 15.00 A H -ATOM 4806 C VAL A 398 7.167 15.859 4.630 1.00 15.00 A C -ATOM 4807 O VAL A 398 6.316 16.069 3.769 1.00 15.00 A O -ATOM 4808 N ASP A 399 8.097 16.760 4.952 1.00 15.00 A N -ATOM 4809 HN ASP A 399 8.755 16.550 5.650 1.00 15.00 A H -ATOM 4810 CA ASP A 399 8.150 18.066 4.280 1.00 15.00 A C -ATOM 4811 HA ASP A 399 7.181 18.528 4.426 1.00 15.00 A H -ATOM 4812 CB ASP A 399 9.211 18.980 4.914 1.00 15.00 A C -ATOM 4813 HB1 ASP A 399 8.991 19.083 5.968 1.00 15.00 A H -ATOM 4814 HB2 ASP A 399 9.164 19.953 4.449 1.00 15.00 A H -ATOM 4815 CG ASP A 399 10.625 18.458 4.778 1.00 15.00 A C -ATOM 4816 OD1 ASP A 399 11.033 17.629 5.616 1.00 15.00 A O -ATOM 4817 OD2 ASP A 399 11.329 18.891 3.844 1.00 15.00 A O -ATOM 4818 C ASP A 399 8.364 17.911 2.772 1.00 15.00 A C -ATOM 4819 O ASP A 399 8.897 16.903 2.309 1.00 15.00 A O -ATOM 4820 N SER A 400 7.934 18.926 2.022 1.00 15.00 A N -ATOM 4821 HN SER A 400 7.560 19.714 2.471 1.00 15.00 A H -ATOM 4822 CA SER A 400 8.002 18.918 0.556 1.00 15.00 A C -ATOM 4823 HA SER A 400 7.484 18.033 0.223 1.00 15.00 A H -ATOM 4824 CB SER A 400 7.263 20.139 -0.004 1.00 15.00 A C -ATOM 4825 HB1 SER A 400 6.199 19.957 0.021 1.00 15.00 A H -ATOM 4826 HB2 SER A 400 7.574 20.307 -1.025 1.00 15.00 A H -ATOM 4827 OG SER A 400 7.542 21.306 0.754 1.00 15.00 A O -ATOM 4828 HG SER A 400 6.726 21.642 1.135 1.00 15.00 A H -ATOM 4829 C SER A 400 9.430 18.876 -0.003 1.00 15.00 A C -ATOM 4830 O SER A 400 9.612 18.729 -1.213 1.00 15.00 A O -ATOM 4831 N ASP A 401 10.432 18.988 0.861 1.00 15.00 A N -ATOM 4832 HN ASP A 401 10.236 19.088 1.818 1.00 15.00 A H -ATOM 4833 CA ASP A 401 11.825 18.965 0.416 1.00 15.00 A C -ATOM 4834 HA ASP A 401 11.832 19.212 -0.634 1.00 15.00 A H -ATOM 4835 CB ASP A 401 12.640 20.019 1.168 1.00 15.00 A C -ATOM 4836 HB1 ASP A 401 13.654 19.664 1.286 1.00 15.00 A H -ATOM 4837 HB2 ASP A 401 12.202 20.174 2.143 1.00 15.00 A H -ATOM 4838 CG ASP A 401 12.675 21.349 0.442 1.00 15.00 A C -ATOM 4839 OD1 ASP A 401 11.592 21.875 0.107 1.00 15.00 A O -ATOM 4840 OD2 ASP A 401 13.787 21.870 0.213 1.00 15.00 A O -ATOM 4841 C ASP A 401 12.464 17.584 0.588 1.00 15.00 A C -ATOM 4842 O ASP A 401 13.640 17.395 0.263 1.00 15.00 A O -ATOM 4843 N ASN A 402 11.698 16.619 1.092 1.00 15.00 A N -ATOM 4844 HN ASN A 402 10.772 16.817 1.339 1.00 15.00 A H -ATOM 4845 CA ASN A 402 12.219 15.267 1.282 1.00 15.00 A C -ATOM 4846 HA ASN A 402 13.245 15.269 0.944 1.00 15.00 A H -ATOM 4847 CB ASN A 402 12.196 14.867 2.762 1.00 15.00 A C -ATOM 4848 HB1 ASN A 402 12.225 13.789 2.838 1.00 15.00 A H -ATOM 4849 HB2 ASN A 402 11.284 15.234 3.214 1.00 15.00 A H -ATOM 4850 CG ASN A 402 13.376 15.435 3.530 1.00 15.00 A C -ATOM 4851 OD1 ASN A 402 14.483 14.901 3.474 1.00 15.00 A O -ATOM 4852 ND2 ASN A 402 13.141 16.512 4.264 1.00 15.00 A N -ATOM 4853 HD21 ASN A 402 12.230 16.876 4.275 1.00 15.00 A H -ATOM 4854 HD22 ASN A 402 13.885 16.901 4.769 1.00 15.00 A H -ATOM 4855 C ASN A 402 11.447 14.267 0.431 1.00 15.00 A C -ATOM 4856 O ASN A 402 10.390 14.583 -0.109 1.00 15.00 A O -ATOM 4857 N ARG A 403 11.985 13.057 0.310 1.00 15.00 A N -ATOM 4858 HN ARG A 403 12.820 12.857 0.777 1.00 15.00 A H -ATOM 4859 CA ARG A 403 11.360 12.024 -0.510 1.00 15.00 A C -ATOM 4860 HA ARG A 403 10.875 12.518 -1.336 1.00 15.00 A H -ATOM 4861 CB ARG A 403 12.430 11.082 -1.075 1.00 15.00 A C -ATOM 4862 HB1 ARG A 403 11.965 10.413 -1.787 1.00 15.00 A H -ATOM 4863 HB2 ARG A 403 12.849 10.495 -0.267 1.00 15.00 A H -ATOM 4864 CG ARG A 403 13.568 11.812 -1.779 1.00 15.00 A C -ATOM 4865 HG1 ARG A 403 14.501 11.519 -1.322 1.00 15.00 A H -ATOM 4866 HG2 ARG A 403 13.423 12.875 -1.665 1.00 15.00 A H -ATOM 4867 CD ARG A 403 13.626 11.471 -3.263 1.00 15.00 A C -ATOM 4868 HD1 ARG A 403 13.929 12.350 -3.822 1.00 15.00 A H -ATOM 4869 HD2 ARG A 403 12.639 11.153 -3.586 1.00 15.00 A H -ATOM 4870 NE ARG A 403 14.577 10.396 -3.526 1.00 15.00 A N -ATOM 4871 HE ARG A 403 15.481 10.490 -3.153 1.00 15.00 A H -ATOM 4872 CZ ARG A 403 14.303 9.305 -4.239 1.00 15.00 A C -ATOM 4873 NH1 ARG A 403 13.127 9.162 -4.835 1.00 15.00 A N -ATOM 4874 HH11 ARG A 403 12.911 8.301 -5.365 1.00 15.00 A H -ATOM 4875 HH12 ARG A 403 12.430 9.912 -4.792 1.00 15.00 A H -ATOM 4876 NH2 ARG A 403 15.233 8.376 -4.397 1.00 15.00 A N -ATOM 4877 HH21 ARG A 403 15.028 7.522 -4.956 1.00 15.00 A H -ATOM 4878 HH22 ARG A 403 16.169 8.492 -3.951 1.00 15.00 A H -ATOM 4879 C ARG A 403 10.313 11.205 0.237 1.00 15.00 A C -ATOM 4880 O ARG A 403 10.393 11.002 1.451 1.00 15.00 A O -ATOM 4881 N SER A 404 9.327 10.754 -0.526 1.00 15.00 A N -ATOM 4882 HN SER A 404 9.323 10.994 -1.476 1.00 15.00 A H -ATOM 4883 CA SER A 404 8.253 9.914 -0.015 1.00 15.00 A C -ATOM 4884 HA SER A 404 8.552 9.554 0.958 1.00 15.00 A H -ATOM 4885 CB SER A 404 6.938 10.695 0.115 1.00 15.00 A C -ATOM 4886 HB1 SER A 404 7.053 11.468 0.860 1.00 15.00 A H -ATOM 4887 HB2 SER A 404 6.156 10.015 0.419 1.00 15.00 A H -ATOM 4888 OG SER A 404 6.557 11.297 -1.114 1.00 15.00 A O -ATOM 4889 HG SER A 404 7.333 11.657 -1.548 1.00 15.00 A H -ATOM 4890 C SER A 404 8.087 8.722 -0.954 1.00 15.00 A C -ATOM 4891 O SER A 404 9.079 8.217 -1.480 1.00 15.00 A O -ATOM 4892 N GLY A 405 6.855 8.260 -1.165 1.00 15.00 A N -ATOM 4893 HN GLY A 405 6.091 8.677 -0.709 1.00 15.00 A H -ATOM 4894 CA GLY A 405 6.651 7.130 -2.057 1.00 15.00 A C -ATOM 4895 HA1 GLY A 405 7.429 6.404 -1.873 1.00 15.00 A H -ATOM 4896 HA2 GLY A 405 6.727 7.476 -3.073 1.00 15.00 A H -ATOM 4897 C GLY A 405 5.313 6.459 -1.877 1.00 15.00 A C -ATOM 4898 O GLY A 405 4.276 7.125 -1.835 1.00 15.00 A O ATOM 4899 N TYR A 406 5.330 5.132 -1.775 1.00 15.00 A N ATOM 4900 HN TYR A 406 6.187 4.655 -1.821 1.00 15.00 A H ATOM 4901 CA TYR A 406 4.102 4.375 -1.596 1.00 15.00 A C @@ -4958,971 +327,6 @@ ATOM 4916 OH TYR A 406 4.351 1.135 -7.154 1.00 15.00 A O ATOM 4917 HH TYR A 406 3.661 0.477 -7.277 1.00 15.00 A H ATOM 4918 C TYR A 406 3.520 4.609 -0.223 1.00 15.00 A C ATOM 4919 O TYR A 406 4.222 4.961 0.720 1.00 15.00 A O -ATOM 4920 N SER A 407 2.226 4.419 -0.129 1.00 15.00 A N -ATOM 4921 HN SER A 407 1.720 4.169 -0.933 1.00 15.00 A H -ATOM 4922 CA SER A 407 1.521 4.585 1.118 1.00 15.00 A C -ATOM 4923 HA SER A 407 2.184 4.287 1.916 1.00 15.00 A H -ATOM 4924 CB SER A 407 1.120 6.049 1.316 1.00 15.00 A C -ATOM 4925 HB1 SER A 407 2.010 6.665 1.320 1.00 15.00 A H -ATOM 4926 HB2 SER A 407 0.606 6.158 2.260 1.00 15.00 A H -ATOM 4927 OG SER A 407 0.270 6.489 0.276 1.00 15.00 A O -ATOM 4928 HG SER A 407 -0.426 7.040 0.643 1.00 15.00 A H -ATOM 4929 C SER A 407 0.303 3.682 1.132 1.00 15.00 A C -ATOM 4930 O SER A 407 -0.380 3.525 0.119 1.00 15.00 A O -ATOM 4931 N GLY A 408 0.050 3.069 2.274 1.00 15.00 A N -ATOM 4932 HN GLY A 408 0.636 3.225 3.044 1.00 15.00 A H -ATOM 4933 CA GLY A 408 -1.082 2.180 2.398 1.00 15.00 A C -ATOM 4934 HA1 GLY A 408 -0.731 1.160 2.324 1.00 15.00 A H -ATOM 4935 HA2 GLY A 408 -1.773 2.371 1.589 1.00 15.00 A H -ATOM 4936 C GLY A 408 -1.807 2.348 3.710 1.00 15.00 A C -ATOM 4937 O GLY A 408 -1.382 3.121 4.567 1.00 15.00 A O -ATOM 4938 N ILE A 409 -2.916 1.644 3.858 1.00 15.00 A N -ATOM 4939 HN ILE A 409 -3.223 1.075 3.123 1.00 15.00 A H -ATOM 4940 CA ILE A 409 -3.699 1.700 5.081 1.00 15.00 A C -ATOM 4941 HA ILE A 409 -3.268 2.450 5.729 1.00 15.00 A H -ATOM 4942 CB ILE A 409 -5.173 2.089 4.780 1.00 15.00 A C -ATOM 4943 HB ILE A 409 -5.173 2.730 3.912 1.00 15.00 A H -ATOM 4944 CG1 ILE A 409 -5.800 2.849 5.962 1.00 15.00 A C -ATOM 4945 HG11 ILE A 409 -5.541 3.894 5.877 1.00 15.00 A H -ATOM 4946 HG12 ILE A 409 -5.403 2.457 6.887 1.00 15.00 A H -ATOM 4947 CG2 ILE A 409 -5.992 0.851 4.433 1.00 15.00 A C -ATOM 4948 HG21 ILE A 409 -6.203 0.298 5.337 1.00 15.00 A H -ATOM 4949 HG22 ILE A 409 -5.432 0.228 3.753 1.00 15.00 A H -ATOM 4950 HG23 ILE A 409 -6.920 1.151 3.973 1.00 15.00 A H -ATOM 4951 CD1 ILE A 409 -7.314 2.753 6.035 1.00 15.00 A C -ATOM 4952 HD11 ILE A 409 -7.700 3.567 6.628 1.00 15.00 A H -ATOM 4953 HD12 ILE A 409 -7.593 1.813 6.490 1.00 15.00 A H -ATOM 4954 HD13 ILE A 409 -7.727 2.805 5.039 1.00 15.00 A H -ATOM 4955 C ILE A 409 -3.673 0.345 5.796 1.00 15.00 A C -ATOM 4956 O ILE A 409 -3.554 -0.705 5.161 1.00 15.00 A O -ATOM 4957 N PHE A 410 -3.724 0.381 7.123 1.00 15.00 A N -ATOM 4958 HN PHE A 410 -3.720 1.248 7.578 1.00 15.00 A H -ATOM 4959 CA PHE A 410 -3.773 -0.844 7.918 1.00 15.00 A C -ATOM 4960 HA PHE A 410 -4.285 -1.576 7.314 1.00 15.00 A H -ATOM 4961 CB PHE A 410 -2.370 -1.388 8.252 1.00 15.00 A C -ATOM 4962 HB1 PHE A 410 -1.774 -1.384 7.356 1.00 15.00 A H -ATOM 4963 HB2 PHE A 410 -2.470 -2.408 8.587 1.00 15.00 A H -ATOM 4964 CG PHE A 410 -1.621 -0.634 9.315 1.00 15.00 A C -ATOM 4965 CD1 PHE A 410 -1.727 -1.003 10.651 1.00 15.00 A C -ATOM 4966 HD1 PHE A 410 -2.371 -1.824 10.924 1.00 15.00 A H -ATOM 4967 CD2 PHE A 410 -0.792 0.425 8.979 1.00 15.00 A C -ATOM 4968 HD2 PHE A 410 -0.698 0.716 7.943 1.00 15.00 A H -ATOM 4969 CE1 PHE A 410 -1.026 -0.323 11.631 1.00 15.00 A C -ATOM 4970 HE1 PHE A 410 -1.106 -0.629 12.661 1.00 15.00 A H -ATOM 4971 CE2 PHE A 410 -0.087 1.108 9.955 1.00 15.00 A C -ATOM 4972 HE2 PHE A 410 0.556 1.927 9.679 1.00 15.00 A H -ATOM 4973 CZ PHE A 410 -0.204 0.736 11.282 1.00 15.00 A C -ATOM 4974 HZ PHE A 410 0.343 1.267 12.047 1.00 15.00 A H -ATOM 4975 C PHE A 410 -4.619 -0.614 9.163 1.00 15.00 A C -ATOM 4976 O PHE A 410 -4.461 0.383 9.871 1.00 15.00 A O -ATOM 4977 N SER A 411 -5.527 -1.545 9.416 1.00 15.00 A N -ATOM 4978 HN SER A 411 -5.579 -2.331 8.832 1.00 15.00 A H -ATOM 4979 CA SER A 411 -6.449 -1.421 10.530 1.00 15.00 A C -ATOM 4980 HA SER A 411 -6.482 -0.381 10.805 1.00 15.00 A H -ATOM 4981 CB SER A 411 -7.848 -1.838 10.084 1.00 15.00 A C -ATOM 4982 HB1 SER A 411 -8.533 -1.725 10.911 1.00 15.00 A H -ATOM 4983 HB2 SER A 411 -7.834 -2.872 9.767 1.00 15.00 A H -ATOM 4984 OG SER A 411 -8.288 -1.034 9.007 1.00 15.00 A O -ATOM 4985 HG SER A 411 -7.700 -0.280 8.917 1.00 15.00 A H -ATOM 4986 C SER A 411 -6.049 -2.228 11.752 1.00 15.00 A C -ATOM 4987 O SER A 411 -5.643 -3.386 11.658 1.00 15.00 A O -ATOM 4988 N VAL A 412 -6.171 -1.575 12.900 1.00 15.00 A N -ATOM 4989 HN VAL A 412 -6.450 -0.635 12.876 1.00 15.00 A H -ATOM 4990 CA VAL A 412 -5.900 -2.188 14.189 1.00 15.00 A C -ATOM 4991 HA VAL A 412 -5.587 -3.207 14.014 1.00 15.00 A H -ATOM 4992 CB VAL A 412 -4.783 -1.449 14.978 1.00 15.00 A C -ATOM 4993 HB VAL A 412 -4.480 -2.084 15.800 1.00 15.00 A H -ATOM 4994 CG1 VAL A 412 -3.562 -1.220 14.099 1.00 15.00 A C -ATOM 4995 HG11 VAL A 412 -3.048 -2.157 13.950 1.00 15.00 A H -ATOM 4996 HG12 VAL A 412 -2.900 -0.516 14.580 1.00 15.00 A H -ATOM 4997 HG13 VAL A 412 -3.877 -0.825 13.145 1.00 15.00 A H -ATOM 4998 CG2 VAL A 412 -5.271 -0.124 15.562 1.00 15.00 A C -ATOM 4999 HG21 VAL A 412 -4.543 0.248 16.267 1.00 15.00 A H -ATOM 5000 HG22 VAL A 412 -6.213 -0.280 16.068 1.00 15.00 A H -ATOM 5001 HG23 VAL A 412 -5.402 0.596 14.769 1.00 15.00 A H -ATOM 5002 C VAL A 412 -7.204 -2.194 14.989 1.00 15.00 A C -ATOM 5003 O VAL A 412 -7.898 -1.177 15.058 1.00 15.00 A O -ATOM 5004 N GLU A 413 -7.573 -3.330 15.562 1.00 15.00 A N -ATOM 5005 HN GLU A 413 -7.011 -4.132 15.473 1.00 15.00 A H -ATOM 5006 CA GLU A 413 -8.816 -3.389 16.320 1.00 15.00 A C -ATOM 5007 HA GLU A 413 -9.530 -2.761 15.809 1.00 15.00 A H -ATOM 5008 CB GLU A 413 -9.380 -4.809 16.374 1.00 15.00 A C -ATOM 5009 HB1 GLU A 413 -8.865 -5.363 17.142 1.00 15.00 A H -ATOM 5010 HB2 GLU A 413 -9.217 -5.290 15.422 1.00 15.00 A H -ATOM 5011 CG GLU A 413 -10.870 -4.837 16.678 1.00 15.00 A C -ATOM 5012 HG1 GLU A 413 -11.416 -4.713 15.753 1.00 15.00 A H -ATOM 5013 HG2 GLU A 413 -11.104 -4.022 17.343 1.00 15.00 A H -ATOM 5014 CD GLU A 413 -11.314 -6.131 17.331 1.00 15.00 A C -ATOM 5015 OE1 GLU A 413 -10.866 -6.411 18.461 1.00 15.00 A O -ATOM 5016 OE2 GLU A 413 -12.124 -6.858 16.717 1.00 15.00 A O -ATOM 5017 C GLU A 413 -8.627 -2.848 17.729 1.00 15.00 A C -ATOM 5018 O GLU A 413 -7.800 -3.348 18.492 1.00 15.00 A O -ATOM 5019 N GLY A 414 -9.393 -1.815 18.055 1.00 15.00 A N -ATOM 5020 HN GLY A 414 -10.009 -1.447 17.386 1.00 15.00 A H -ATOM 5021 CA GLY A 414 -9.320 -1.218 19.372 1.00 15.00 A C -ATOM 5022 HA1 GLY A 414 -9.607 -0.180 19.300 1.00 15.00 A H -ATOM 5023 HA2 GLY A 414 -8.304 -1.278 19.726 1.00 15.00 A H -ATOM 5024 C GLY A 414 -10.227 -1.908 20.372 1.00 15.00 A C -ATOM 5025 O GLY A 414 -10.782 -2.971 20.091 1.00 15.00 A O -ATOM 5026 N LYS A 415 -10.387 -1.291 21.534 1.00 15.00 A N -ATOM 5027 HN LYS A 415 -9.936 -0.434 21.682 1.00 15.00 A H -ATOM 5028 CA LYS A 415 -11.214 -1.852 22.595 1.00 15.00 A C -ATOM 5029 HA LYS A 415 -11.001 -2.908 22.651 1.00 15.00 A H -ATOM 5030 CB LYS A 415 -10.843 -1.205 23.932 1.00 15.00 A C -ATOM 5031 HB1 LYS A 415 -11.261 -0.208 23.965 1.00 15.00 A H -ATOM 5032 HB2 LYS A 415 -9.767 -1.133 23.995 1.00 15.00 A H -ATOM 5033 CG LYS A 415 -11.335 -1.967 25.149 1.00 15.00 A C -ATOM 5034 HG1 LYS A 415 -10.705 -2.832 25.300 1.00 15.00 A H -ATOM 5035 HG2 LYS A 415 -12.354 -2.285 24.980 1.00 15.00 A H -ATOM 5036 CD LYS A 415 -11.282 -1.096 26.392 1.00 15.00 A C -ATOM 5037 HD1 LYS A 415 -11.589 -1.680 27.248 1.00 15.00 A H -ATOM 5038 HD2 LYS A 415 -11.958 -0.263 26.261 1.00 15.00 A H -ATOM 5039 CE LYS A 415 -9.879 -0.558 26.631 1.00 15.00 A C -ATOM 5040 HE1 LYS A 415 -9.877 0.021 27.542 1.00 15.00 A H -ATOM 5041 HE2 LYS A 415 -9.607 0.079 25.802 1.00 15.00 A H -ATOM 5042 NZ LYS A 415 -8.872 -1.651 26.748 1.00 15.00 A N -ATOM 5043 HZ1 LYS A 415 -7.933 -1.254 26.954 1.00 15.00 A H -ATOM 5044 HZ2 LYS A 415 -8.819 -2.186 25.856 1.00 15.00 A H -ATOM 5045 HZ3 LYS A 415 -9.139 -2.303 27.514 1.00 15.00 A H -ATOM 5046 C LYS A 415 -12.709 -1.667 22.318 1.00 15.00 A C -ATOM 5047 O LYS A 415 -13.510 -2.561 22.593 1.00 15.00 A O -ATOM 5048 N SER A 416 -13.078 -0.513 21.765 1.00 15.00 A N -ATOM 5049 HN SER A 416 -12.396 0.151 21.540 1.00 15.00 A H -ATOM 5050 CA SER A 416 -14.481 -0.220 21.472 1.00 15.00 A C -ATOM 5051 HA SER A 416 -15.067 -1.077 21.769 1.00 15.00 A H -ATOM 5052 CB SER A 416 -14.949 1.000 22.275 1.00 15.00 A C -ATOM 5053 HB1 SER A 416 -15.048 0.732 23.314 1.00 15.00 A H -ATOM 5054 HB2 SER A 416 -15.906 1.333 21.896 1.00 15.00 A H -ATOM 5055 OG SER A 416 -14.024 2.069 22.164 1.00 15.00 A O -ATOM 5056 HG SER A 416 -13.323 1.959 22.811 1.00 15.00 A H -ATOM 5057 C SER A 416 -14.709 0.030 19.984 1.00 15.00 A C -ATOM 5058 O SER A 416 -15.825 -0.117 19.486 1.00 15.00 A O -ATOM 5059 N CYS A 417 -13.646 0.384 19.273 1.00 15.00 A N -ATOM 5060 HN CYS A 417 -12.770 0.439 19.712 1.00 15.00 A H -ATOM 5061 CA CYS A 417 -13.747 0.678 17.853 1.00 15.00 A C -ATOM 5062 HA CYS A 417 -14.574 0.117 17.451 1.00 15.00 A H -ATOM 5063 HB1 CYS A 417 -14.971 2.424 18.095 1.00 15.00 A H -ATOM 5064 HB2 CYS A 417 -14.050 2.384 16.593 1.00 15.00 A H -ATOM 5065 C CYS A 417 -12.471 0.281 17.123 1.00 15.00 A C -ATOM 5066 O CYS A 417 -11.424 0.131 17.745 1.00 15.00 A O -ATOM 5067 CB CYS A 417 -14.016 2.175 17.653 1.00 15.00 A C -ATOM 5068 SG CYS A 417 -12.755 3.267 18.392 1.00 15.00 A S -ATOM 5069 N ILE A 418 -12.553 0.128 15.799 1.00 15.00 A N -ATOM 5070 HN ILE A 418 -13.413 0.267 15.349 1.00 15.00 A H -ATOM 5071 CA ILE A 418 -11.378 -0.233 15.016 1.00 15.00 A C -ATOM 5072 HA ILE A 418 -10.653 -0.630 15.714 1.00 15.00 A H -ATOM 5073 CB ILE A 418 -11.675 -1.341 13.957 1.00 15.00 A C -ATOM 5074 HB ILE A 418 -10.816 -1.998 13.922 1.00 15.00 A H -ATOM 5075 CG1 ILE A 418 -11.911 -0.774 12.558 1.00 15.00 A C -ATOM 5076 HG11 ILE A 418 -12.151 0.277 12.635 1.00 15.00 A H -ATOM 5077 HG12 ILE A 418 -12.734 -1.299 12.101 1.00 15.00 A H -ATOM 5078 CG2 ILE A 418 -12.867 -2.176 14.389 1.00 15.00 A C -ATOM 5079 HG21 ILE A 418 -12.900 -3.086 13.810 1.00 15.00 A H -ATOM 5080 HG22 ILE A 418 -13.778 -1.615 14.230 1.00 15.00 A H -ATOM 5081 HG23 ILE A 418 -12.774 -2.417 15.437 1.00 15.00 A H -ATOM 5082 CD1 ILE A 418 -10.716 -0.913 11.645 1.00 15.00 A C -ATOM 5083 HD11 ILE A 418 -10.497 -1.960 11.495 1.00 15.00 A H -ATOM 5084 HD12 ILE A 418 -9.863 -0.427 12.097 1.00 15.00 A H -ATOM 5085 HD13 ILE A 418 -10.934 -0.449 10.695 1.00 15.00 A H -ATOM 5086 C ILE A 418 -10.761 1.025 14.397 1.00 15.00 A C -ATOM 5087 O ILE A 418 -11.428 1.817 13.720 1.00 15.00 A O -ATOM 5088 N ASN A 419 -9.479 1.216 14.683 1.00 15.00 A N -ATOM 5089 HN ASN A 419 -9.012 0.541 15.216 1.00 15.00 A H -ATOM 5090 CA ASN A 419 -8.737 2.387 14.227 1.00 15.00 A C -ATOM 5091 HA ASN A 419 -9.437 3.204 14.127 1.00 15.00 A H -ATOM 5092 CB ASN A 419 -7.694 2.765 15.289 1.00 15.00 A C -ATOM 5093 HB1 ASN A 419 -6.929 2.001 15.316 1.00 15.00 A H -ATOM 5094 HB2 ASN A 419 -8.175 2.816 16.255 1.00 15.00 A H -ATOM 5095 CG ASN A 419 -7.024 4.099 15.015 1.00 15.00 A C -ATOM 5096 OD1 ASN A 419 -5.835 4.272 15.287 1.00 15.00 A O -ATOM 5097 ND2 ASN A 419 -7.782 5.055 14.484 1.00 15.00 A N -ATOM 5098 HD21 ASN A 419 -8.723 4.858 14.315 1.00 15.00 A H -ATOM 5099 HD22 ASN A 419 -7.360 5.910 14.260 1.00 15.00 A H -ATOM 5100 C ASN A 419 -8.046 2.158 12.878 1.00 15.00 A C -ATOM 5101 O ASN A 419 -7.753 1.021 12.498 1.00 15.00 A O -ATOM 5102 N ARG A 420 -7.806 3.260 12.161 1.00 15.00 A N -ATOM 5103 HN ARG A 420 -8.100 4.124 12.511 1.00 15.00 A H -ATOM 5104 CA ARG A 420 -7.126 3.225 10.868 1.00 15.00 A C -ATOM 5105 HA ARG A 420 -7.014 2.197 10.569 1.00 15.00 A H -ATOM 5106 CB ARG A 420 -7.917 3.984 9.795 1.00 15.00 A C -ATOM 5107 HB1 ARG A 420 -7.548 3.694 8.822 1.00 15.00 A H -ATOM 5108 HB2 ARG A 420 -7.751 5.043 9.927 1.00 15.00 A H -ATOM 5109 CG ARG A 420 -9.412 3.736 9.823 1.00 15.00 A C -ATOM 5110 HG1 ARG A 420 -9.914 4.558 9.336 1.00 15.00 A H -ATOM 5111 HG2 ARG A 420 -9.739 3.671 10.851 1.00 15.00 A H -ATOM 5112 CD ARG A 420 -9.770 2.447 9.112 1.00 15.00 A C -ATOM 5113 HD1 ARG A 420 -9.339 1.619 9.653 1.00 15.00 A H -ATOM 5114 HD2 ARG A 420 -9.360 2.478 8.110 1.00 15.00 A H -ATOM 5115 NE ARG A 420 -11.211 2.255 9.018 1.00 15.00 A N -ATOM 5116 HE ARG A 420 -11.781 3.045 9.115 1.00 15.00 A H -ATOM 5117 CZ ARG A 420 -11.782 1.077 8.825 1.00 15.00 A C -ATOM 5118 NH1 ARG A 420 -11.033 -0.005 8.681 1.00 15.00 A N -ATOM 5119 HH11 ARG A 420 -9.996 0.069 8.737 1.00 15.00 A H -ATOM 5120 HH12 ARG A 420 -11.478 -0.932 8.526 1.00 15.00 A H -ATOM 5121 NH2 ARG A 420 -13.101 0.982 8.757 1.00 15.00 A N -ATOM 5122 HH21 ARG A 420 -13.690 1.834 8.868 1.00 15.00 A H -ATOM 5123 HH22 ARG A 420 -13.549 0.057 8.601 1.00 15.00 A H -ATOM 5124 C ARG A 420 -5.749 3.862 10.982 1.00 15.00 A C -ATOM 5125 O ARG A 420 -5.588 4.912 11.606 1.00 15.00 A O -ATOM 5126 N CYS A 421 -4.759 3.223 10.384 1.00 15.00 A N -ATOM 5127 HN CYS A 421 -4.945 2.376 9.926 1.00 15.00 A H -ATOM 5128 CA CYS A 421 -3.398 3.737 10.399 1.00 15.00 A C -ATOM 5129 HA CYS A 421 -3.428 4.763 10.728 1.00 15.00 A H -ATOM 5130 HB1 CYS A 421 -1.544 3.376 11.400 1.00 15.00 A H -ATOM 5131 HB2 CYS A 421 -2.429 1.916 10.975 1.00 15.00 A H -ATOM 5132 C CYS A 421 -2.811 3.690 9.002 1.00 15.00 A C -ATOM 5133 O CYS A 421 -3.387 3.079 8.100 1.00 15.00 A O -ATOM 5134 CB CYS A 421 -2.525 2.925 11.353 1.00 15.00 A C -ATOM 5135 SG CYS A 421 -3.165 2.816 13.053 1.00 15.00 A S -ATOM 5136 N PHE A 422 -1.667 4.325 8.817 1.00 15.00 A N -ATOM 5137 HN PHE A 422 -1.244 4.790 9.566 1.00 15.00 A H -ATOM 5138 CA PHE A 422 -1.030 4.334 7.511 1.00 15.00 A C -ATOM 5139 HA PHE A 422 -1.285 3.406 7.026 1.00 15.00 A H -ATOM 5140 CB PHE A 422 -1.552 5.493 6.648 1.00 15.00 A C -ATOM 5141 HB1 PHE A 422 -2.629 5.501 6.687 1.00 15.00 A H -ATOM 5142 HB2 PHE A 422 -1.244 5.338 5.628 1.00 15.00 A H -ATOM 5143 CG PHE A 422 -1.061 6.845 7.084 1.00 15.00 A C -ATOM 5144 CD1 PHE A 422 -1.756 7.576 8.033 1.00 15.00 A C -ATOM 5145 HD1 PHE A 422 -2.657 7.163 8.460 1.00 15.00 A H -ATOM 5146 CD2 PHE A 422 0.102 7.384 6.545 1.00 15.00 A C -ATOM 5147 HD2 PHE A 422 0.652 6.825 5.803 1.00 15.00 A H -ATOM 5148 CE1 PHE A 422 -1.305 8.816 8.440 1.00 15.00 A C -ATOM 5149 HE1 PHE A 422 -1.865 9.381 9.165 1.00 15.00 A H -ATOM 5150 CE2 PHE A 422 0.556 8.626 6.948 1.00 15.00 A C -ATOM 5151 HE2 PHE A 422 1.457 9.039 6.518 1.00 15.00 A H -ATOM 5152 CZ PHE A 422 -0.146 9.340 7.900 1.00 15.00 A C -ATOM 5153 HZ PHE A 422 0.206 10.314 8.214 1.00 15.00 A H -ATOM 5154 C PHE A 422 0.478 4.410 7.613 1.00 15.00 A C -ATOM 5155 O PHE A 422 1.041 4.870 8.605 1.00 15.00 A O -ATOM 5156 N TYR A 423 1.109 3.933 6.563 1.00 15.00 A N -ATOM 5157 HN TYR A 423 0.581 3.540 5.836 1.00 15.00 A H -ATOM 5158 CA TYR A 423 2.549 3.938 6.445 1.00 15.00 A C -ATOM 5159 HA TYR A 423 2.963 4.450 7.297 1.00 15.00 A H -ATOM 5160 CB TYR A 423 3.067 2.491 6.414 1.00 15.00 A C -ATOM 5161 HB1 TYR A 423 2.711 1.969 7.289 1.00 15.00 A H -ATOM 5162 HB2 TYR A 423 4.148 2.497 6.420 1.00 15.00 A H -ATOM 5163 CG TYR A 423 2.609 1.716 5.192 1.00 15.00 A C -ATOM 5164 CD1 TYR A 423 1.495 0.882 5.235 1.00 15.00 A C -ATOM 5165 HD1 TYR A 423 0.958 0.764 6.160 1.00 15.00 A H -ATOM 5166 CD2 TYR A 423 3.286 1.838 3.985 1.00 15.00 A C -ATOM 5167 HD2 TYR A 423 4.157 2.474 3.938 1.00 15.00 A H -ATOM 5168 CE1 TYR A 423 1.072 0.200 4.109 1.00 15.00 A C -ATOM 5169 HE1 TYR A 423 0.198 -0.441 4.161 1.00 15.00 A H -ATOM 5170 CE2 TYR A 423 2.869 1.159 2.858 1.00 15.00 A C -ATOM 5171 HE2 TYR A 423 3.404 1.273 1.929 1.00 15.00 A H -ATOM 5172 CZ TYR A 423 1.765 0.343 2.925 1.00 15.00 A C -ATOM 5173 OH TYR A 423 1.343 -0.330 1.806 1.00 15.00 A O -ATOM 5174 HH TYR A 423 2.102 -0.648 1.314 1.00 15.00 A H -ATOM 5175 C TYR A 423 2.939 4.685 5.169 1.00 15.00 A C -ATOM 5176 O TYR A 423 2.204 4.651 4.180 1.00 15.00 A O -ATOM 5177 N VAL A 424 4.065 5.389 5.200 1.00 15.00 A N -ATOM 5178 HN VAL A 424 4.586 5.425 6.026 1.00 15.00 A H -ATOM 5179 CA VAL A 424 4.540 6.116 4.027 1.00 15.00 A C -ATOM 5180 HA VAL A 424 3.948 5.782 3.185 1.00 15.00 A H -ATOM 5181 CB VAL A 424 4.346 7.656 4.156 1.00 15.00 A C -ATOM 5182 HB VAL A 424 3.396 7.902 3.707 1.00 15.00 A H -ATOM 5183 CG1 VAL A 424 4.289 8.090 5.612 1.00 15.00 A C -ATOM 5184 HG11 VAL A 424 4.030 7.246 6.232 1.00 15.00 A H -ATOM 5185 HG12 VAL A 424 3.540 8.859 5.724 1.00 15.00 A H -ATOM 5186 HG13 VAL A 424 5.251 8.479 5.911 1.00 15.00 A H -ATOM 5187 CG2 VAL A 424 5.426 8.432 3.405 1.00 15.00 A C -ATOM 5188 HG21 VAL A 424 5.253 9.491 3.519 1.00 15.00 A H -ATOM 5189 HG22 VAL A 424 5.393 8.173 2.357 1.00 15.00 A H -ATOM 5190 HG23 VAL A 424 6.397 8.182 3.807 1.00 15.00 A H -ATOM 5191 C VAL A 424 5.994 5.757 3.732 1.00 15.00 A C -ATOM 5192 O VAL A 424 6.913 6.076 4.491 1.00 15.00 A O -ATOM 5193 N GLU A 425 6.174 5.045 2.628 1.00 15.00 A N -ATOM 5194 HN GLU A 425 5.389 4.803 2.091 1.00 15.00 A H -ATOM 5195 CA GLU A 425 7.485 4.608 2.187 1.00 15.00 A C -ATOM 5196 HA GLU A 425 7.961 4.110 3.010 1.00 15.00 A H -ATOM 5197 CB GLU A 425 7.347 3.621 1.025 1.00 15.00 A C -ATOM 5198 HB1 GLU A 425 6.574 3.969 0.352 1.00 15.00 A H -ATOM 5199 HB2 GLU A 425 7.059 2.658 1.417 1.00 15.00 A H -ATOM 5200 CG GLU A 425 8.624 3.445 0.226 1.00 15.00 A C -ATOM 5201 HG1 GLU A 425 9.329 2.887 0.822 1.00 15.00 A H -ATOM 5202 HG2 GLU A 425 9.031 4.419 0.008 1.00 15.00 A H -ATOM 5203 CD GLU A 425 8.402 2.709 -1.078 1.00 15.00 A C -ATOM 5204 OE1 GLU A 425 7.557 3.160 -1.875 1.00 15.00 A O -ATOM 5205 OE2 GLU A 425 9.078 1.685 -1.302 1.00 15.00 A O -ATOM 5206 C GLU A 425 8.353 5.784 1.758 1.00 15.00 A C -ATOM 5207 O GLU A 425 7.938 6.607 0.951 1.00 15.00 A O -ATOM 5208 N LEU A 426 9.551 5.862 2.321 1.00 15.00 A N -ATOM 5209 HN LEU A 426 9.803 5.199 2.996 1.00 15.00 A H -ATOM 5210 CA LEU A 426 10.500 6.915 1.967 1.00 15.00 A C -ATOM 5211 HA LEU A 426 9.979 7.650 1.379 1.00 15.00 A H -ATOM 5212 CB LEU A 426 11.088 7.581 3.215 1.00 15.00 A C -ATOM 5213 HB1 LEU A 426 11.385 8.587 2.950 1.00 15.00 A H -ATOM 5214 HB2 LEU A 426 11.973 7.030 3.504 1.00 15.00 A H -ATOM 5215 CG LEU A 426 10.155 7.663 4.423 1.00 15.00 A C -ATOM 5216 HG LEU A 426 9.625 6.727 4.517 1.00 15.00 A H -ATOM 5217 CD1 LEU A 426 10.950 7.882 5.696 1.00 15.00 A C -ATOM 5218 HD11 LEU A 426 11.609 7.043 5.858 1.00 15.00 A H -ATOM 5219 HD12 LEU A 426 10.273 7.974 6.531 1.00 15.00 A H -ATOM 5220 HD13 LEU A 426 11.535 8.787 5.605 1.00 15.00 A H -ATOM 5221 CD2 LEU A 426 9.133 8.771 4.244 1.00 15.00 A C -ATOM 5222 HD21 LEU A 426 8.447 8.761 5.078 1.00 15.00 A H -ATOM 5223 HD22 LEU A 426 8.585 8.612 3.327 1.00 15.00 A H -ATOM 5224 HD23 LEU A 426 9.635 9.725 4.202 1.00 15.00 A H -ATOM 5225 C LEU A 426 11.623 6.318 1.133 1.00 15.00 A C -ATOM 5226 O LEU A 426 12.629 5.854 1.676 1.00 15.00 A O -ATOM 5227 N ILE A 427 11.447 6.322 -0.185 1.00 15.00 A N -ATOM 5228 HN ILE A 427 10.630 6.713 -0.558 1.00 15.00 A H -ATOM 5229 CA ILE A 427 12.444 5.742 -1.077 1.00 15.00 A C -ATOM 5230 HA ILE A 427 12.814 4.858 -0.585 1.00 15.00 A H -ATOM 5231 CB ILE A 427 11.847 5.292 -2.447 1.00 15.00 A C -ATOM 5232 HB ILE A 427 12.061 4.239 -2.566 1.00 15.00 A H -ATOM 5233 CG1 ILE A 427 12.468 6.061 -3.629 1.00 15.00 A C -ATOM 5234 HG11 ILE A 427 12.949 6.954 -3.256 1.00 15.00 A H -ATOM 5235 HG12 ILE A 427 11.682 6.341 -4.314 1.00 15.00 A H -ATOM 5236 CG2 ILE A 427 10.337 5.460 -2.458 1.00 15.00 A C -ATOM 5237 HG21 ILE A 427 9.900 4.819 -1.707 1.00 15.00 A H -ATOM 5238 HG22 ILE A 427 9.954 5.189 -3.429 1.00 15.00 A H -ATOM 5239 HG23 ILE A 427 10.086 6.488 -2.246 1.00 15.00 A H -ATOM 5240 CD1 ILE A 427 13.500 5.279 -4.422 1.00 15.00 A C -ATOM 5241 HD11 ILE A 427 14.285 4.942 -3.760 1.00 15.00 A H -ATOM 5242 HD12 ILE A 427 13.924 5.919 -5.182 1.00 15.00 A H -ATOM 5243 HD13 ILE A 427 13.031 4.426 -4.891 1.00 15.00 A H -ATOM 5244 C ILE A 427 13.634 6.664 -1.305 1.00 15.00 A C -ATOM 5245 O ILE A 427 13.507 7.880 -1.456 1.00 15.00 A O -ATOM 5246 N ARG A 428 14.783 6.029 -1.292 1.00 15.00 A N -ATOM 5247 HN ARG A 428 14.779 5.065 -1.104 1.00 15.00 A H -ATOM 5248 CA ARG A 428 16.060 6.666 -1.521 1.00 15.00 A C -ATOM 5249 HA ARG A 428 15.903 7.686 -1.833 1.00 15.00 A H -ATOM 5250 CB ARG A 428 16.881 6.625 -0.224 1.00 15.00 A C -ATOM 5251 HB1 ARG A 428 17.885 6.959 -0.442 1.00 15.00 A H -ATOM 5252 HB2 ARG A 428 16.920 5.601 0.117 1.00 15.00 A H -ATOM 5253 CG ARG A 428 16.329 7.470 0.915 1.00 15.00 A C -ATOM 5254 HG1 ARG A 428 16.954 7.337 1.783 1.00 15.00 A H -ATOM 5255 HG2 ARG A 428 15.324 7.141 1.142 1.00 15.00 A H -ATOM 5256 CD ARG A 428 16.295 8.933 0.548 1.00 15.00 A C -ATOM 5257 HD1 ARG A 428 15.296 9.182 0.225 1.00 15.00 A H -ATOM 5258 HD2 ARG A 428 16.978 9.105 -0.261 1.00 15.00 A H -ATOM 5259 NE ARG A 428 16.644 9.805 1.668 1.00 15.00 A N -ATOM 5260 HE ARG A 428 16.067 9.781 2.462 1.00 15.00 A H -ATOM 5261 CZ ARG A 428 17.708 10.600 1.679 1.00 15.00 A C -ATOM 5262 NH1 ARG A 428 18.540 10.613 0.648 1.00 15.00 A N -ATOM 5263 HH11 ARG A 428 19.362 11.245 0.645 1.00 15.00 A H -ATOM 5264 HH12 ARG A 428 18.386 9.976 -0.153 1.00 15.00 A H -ATOM 5265 NH2 ARG A 428 17.922 11.404 2.712 1.00 15.00 A N -ATOM 5266 HH21 ARG A 428 17.263 11.400 3.522 1.00 15.00 A H -ATOM 5267 HH22 ARG A 428 18.751 12.033 2.719 1.00 15.00 A H -ATOM 5268 C ARG A 428 16.786 5.886 -2.606 1.00 15.00 A C -ATOM 5269 O ARG A 428 16.465 4.725 -2.835 1.00 15.00 A O -ATOM 5270 N GLY A 429 17.725 6.488 -3.309 1.00 15.00 A N -ATOM 5271 HN GLY A 429 17.952 7.434 -3.157 1.00 15.00 A H -ATOM 5272 CA GLY A 429 18.416 5.693 -4.276 1.00 15.00 A C -ATOM 5273 HA1 GLY A 429 17.881 4.770 -4.411 1.00 15.00 A H -ATOM 5274 HA2 GLY A 429 19.405 5.467 -3.885 1.00 15.00 A H -ATOM 5275 C GLY A 429 18.611 6.300 -5.618 1.00 15.00 A C -ATOM 5276 O GLY A 429 18.854 7.478 -5.741 1.00 15.00 A O -ATOM 5277 N ARG A 430 18.396 5.488 -6.629 1.00 15.00 A N -ATOM 5278 HN ARG A 430 17.997 4.607 -6.467 1.00 15.00 A H -ATOM 5279 CA ARG A 430 18.711 5.903 -7.977 1.00 15.00 A C -ATOM 5280 HA ARG A 430 19.268 6.823 -7.889 1.00 15.00 A H -ATOM 5281 CB ARG A 430 19.665 4.876 -8.523 1.00 15.00 A C -ATOM 5282 HB1 ARG A 430 19.331 4.518 -9.475 1.00 15.00 A H -ATOM 5283 HB2 ARG A 430 19.734 4.042 -7.816 1.00 15.00 A H -ATOM 5284 CG ARG A 430 21.028 5.467 -8.637 1.00 15.00 A C -ATOM 5285 HG1 ARG A 430 21.683 4.970 -7.930 1.00 15.00 A H -ATOM 5286 HG2 ARG A 430 20.964 6.510 -8.375 1.00 15.00 A H -ATOM 5287 CD ARG A 430 21.622 5.372 -10.011 1.00 15.00 A C -ATOM 5288 HD1 ARG A 430 20.948 5.824 -10.727 1.00 15.00 A H -ATOM 5289 HD2 ARG A 430 21.790 4.334 -10.264 1.00 15.00 A H -ATOM 5290 NE ARG A 430 22.876 6.093 -10.015 1.00 15.00 A N -ATOM 5291 HE ARG A 430 23.159 6.517 -9.178 1.00 15.00 A H -ATOM 5292 CZ ARG A 430 23.636 6.209 -11.068 1.00 15.00 A C -ATOM 5293 NH1 ARG A 430 23.245 5.656 -12.201 1.00 15.00 A N -ATOM 5294 HH11 ARG A 430 23.827 5.731 -13.050 1.00 15.00 A H -ATOM 5295 HH12 ARG A 430 22.341 5.138 -12.224 1.00 15.00 A H -ATOM 5296 NH2 ARG A 430 24.794 6.849 -10.976 1.00 15.00 A N -ATOM 5297 HH21 ARG A 430 25.087 7.265 -10.065 1.00 15.00 A H -ATOM 5298 HH22 ARG A 430 25.404 6.953 -11.812 1.00 15.00 A H -ATOM 5299 C ARG A 430 17.534 6.156 -8.918 1.00 15.00 A C -ATOM 5300 O ARG A 430 16.497 5.509 -8.833 1.00 15.00 A O -ATOM 5301 N LYS A 431 17.790 7.146 -9.793 1.00 15.00 A N -ATOM 5302 HN LYS A 431 18.655 7.586 -9.684 1.00 15.00 A H -ATOM 5303 CA LYS A 431 16.878 7.699 -10.830 1.00 15.00 A C -ATOM 5304 HA LYS A 431 17.484 7.778 -11.749 1.00 15.00 A H -ATOM 5305 CB LYS A 431 15.665 6.789 -11.158 1.00 15.00 A C -ATOM 5306 HB1 LYS A 431 14.928 7.358 -11.709 1.00 15.00 A H -ATOM 5307 HB2 LYS A 431 15.220 6.395 -10.239 1.00 15.00 A H -ATOM 5308 CG LYS A 431 16.074 5.619 -12.004 1.00 15.00 A C -ATOM 5309 HG1 LYS A 431 16.019 4.730 -11.411 1.00 15.00 A H -ATOM 5310 HG2 LYS A 431 17.092 5.787 -12.323 1.00 15.00 A H -ATOM 5311 CD LYS A 431 15.226 5.446 -13.232 1.00 15.00 A C -ATOM 5312 HD1 LYS A 431 15.107 6.396 -13.741 1.00 15.00 A H -ATOM 5313 HD2 LYS A 431 14.262 5.039 -12.954 1.00 15.00 A H -ATOM 5314 CE LYS A 431 15.959 4.479 -14.129 1.00 15.00 A C -ATOM 5315 HE1 LYS A 431 16.439 3.743 -13.498 1.00 15.00 A H -ATOM 5316 HE2 LYS A 431 16.715 5.027 -14.671 1.00 15.00 A H -ATOM 5317 NZ LYS A 431 15.078 3.780 -15.096 1.00 15.00 A N -ATOM 5318 HZ1 LYS A 431 14.308 3.306 -14.594 1.00 15.00 A H -ATOM 5319 HZ2 LYS A 431 15.633 3.076 -15.620 1.00 15.00 A H -ATOM 5320 HZ3 LYS A 431 14.681 4.467 -15.769 1.00 15.00 A H -ATOM 5321 C LYS A 431 16.504 9.139 -10.442 1.00 15.00 A C -ATOM 5322 O LYS A 431 16.286 9.990 -11.310 1.00 15.00 A O -ATOM 5323 N GLN A 432 16.458 9.414 -9.116 1.00 15.00 A N -ATOM 5324 HN GLN A 432 16.587 8.677 -8.476 1.00 15.00 A H -ATOM 5325 CA GLN A 432 16.256 10.786 -8.606 1.00 15.00 A C -ATOM 5326 HA GLN A 432 16.045 11.427 -9.459 1.00 15.00 A H -ATOM 5327 CB GLN A 432 15.146 10.963 -7.524 1.00 15.00 A C -ATOM 5328 HB1 GLN A 432 15.463 10.450 -6.628 1.00 15.00 A H -ATOM 5329 HB2 GLN A 432 14.224 10.508 -7.881 1.00 15.00 A H -ATOM 5330 CG GLN A 432 14.886 12.462 -7.173 1.00 15.00 A C -ATOM 5331 HG1 GLN A 432 14.858 13.032 -8.091 1.00 15.00 A H -ATOM 5332 HG2 GLN A 432 15.718 12.810 -6.578 1.00 15.00 A H -ATOM 5333 CD GLN A 432 13.594 12.768 -6.378 1.00 15.00 A C -ATOM 5334 OE1 GLN A 432 12.610 12.037 -6.462 1.00 15.00 A O -ATOM 5335 NE2 GLN A 432 13.582 13.885 -5.612 1.00 15.00 A N -ATOM 5336 HE21 GLN A 432 14.384 14.448 -5.587 1.00 15.00 A H -ATOM 5337 HE22 GLN A 432 12.760 14.095 -5.108 1.00 15.00 A H -ATOM 5338 C GLN A 432 17.594 11.208 -7.997 1.00 15.00 A C -ATOM 5339 O GLN A 432 18.123 12.277 -8.297 1.00 15.00 A O -ATOM 5340 N GLU A 433 18.120 10.348 -7.104 1.00 15.00 A N -ATOM 5341 HN GLU A 433 17.590 9.564 -6.830 1.00 15.00 A H -ATOM 5342 CA GLU A 433 19.434 10.568 -6.479 1.00 15.00 A C -ATOM 5343 HA GLU A 433 19.656 11.620 -6.562 1.00 15.00 A H -ATOM 5344 CB GLU A 433 19.363 10.187 -4.985 1.00 15.00 A C -ATOM 5345 HB1 GLU A 433 20.303 10.422 -4.511 1.00 15.00 A H -ATOM 5346 HB2 GLU A 433 19.174 9.125 -4.901 1.00 15.00 A H -ATOM 5347 CG GLU A 433 18.250 10.928 -4.247 1.00 15.00 A C -ATOM 5348 HG1 GLU A 433 17.297 10.537 -4.580 1.00 15.00 A H -ATOM 5349 HG2 GLU A 433 18.306 11.977 -4.495 1.00 15.00 A H -ATOM 5350 CD GLU A 433 18.322 10.788 -2.742 1.00 15.00 A C -ATOM 5351 OE1 GLU A 433 18.935 11.662 -2.091 1.00 15.00 A O -ATOM 5352 OE2 GLU A 433 17.754 9.811 -2.209 1.00 15.00 A O -ATOM 5353 C GLU A 433 20.500 9.764 -7.271 1.00 15.00 A C -ATOM 5354 O GLU A 433 20.450 8.545 -7.367 1.00 15.00 A O -ATOM 5355 N THR A 434 21.466 10.466 -7.855 1.00 15.00 A N -ATOM 5356 HN THR A 434 21.508 11.433 -7.713 1.00 15.00 A H -ATOM 5357 CA THR A 434 22.464 9.825 -8.731 1.00 15.00 A C -ATOM 5358 HA THR A 434 22.019 8.918 -9.120 1.00 15.00 A H -ATOM 5359 CB THR A 434 22.714 10.769 -9.936 1.00 15.00 A C -ATOM 5360 HB THR A 434 22.991 11.732 -9.541 1.00 15.00 A H -ATOM 5361 OG1 THR A 434 21.506 10.915 -10.690 1.00 15.00 A O -ATOM 5362 HG1 THR A 434 21.075 10.064 -10.779 1.00 15.00 A H -ATOM 5363 CG2 THR A 434 23.827 10.284 -10.859 1.00 15.00 A C -ATOM 5364 HG21 THR A 434 24.764 10.291 -10.325 1.00 15.00 A H -ATOM 5365 HG22 THR A 434 23.894 10.948 -11.709 1.00 15.00 A H -ATOM 5366 HG23 THR A 434 23.609 9.283 -11.199 1.00 15.00 A H -ATOM 5367 C THR A 434 23.812 9.455 -8.067 1.00 15.00 A C -ATOM 5368 O THR A 434 24.594 8.701 -8.654 1.00 15.00 A O -ATOM 5369 N ARG A 435 24.092 9.910 -6.846 1.00 15.00 A N -ATOM 5370 HN ARG A 435 23.420 10.424 -6.344 1.00 15.00 A H -ATOM 5371 CA ARG A 435 25.398 9.608 -6.239 1.00 15.00 A C -ATOM 5372 HA ARG A 435 26.139 9.889 -6.970 1.00 15.00 A H -ATOM 5373 CB ARG A 435 25.656 10.425 -4.969 1.00 15.00 A C -ATOM 5374 HB1 ARG A 435 25.222 9.910 -4.126 1.00 15.00 A H -ATOM 5375 HB2 ARG A 435 25.193 11.393 -5.077 1.00 15.00 A H -ATOM 5376 CG ARG A 435 27.150 10.628 -4.691 1.00 15.00 A C -ATOM 5377 HG1 ARG A 435 27.554 11.304 -5.430 1.00 15.00 A H -ATOM 5378 HG2 ARG A 435 27.648 9.676 -4.774 1.00 15.00 A H -ATOM 5379 CD ARG A 435 27.413 11.198 -3.307 1.00 15.00 A C -ATOM 5380 HD1 ARG A 435 26.713 12.006 -3.126 1.00 15.00 A H -ATOM 5381 HD2 ARG A 435 28.425 11.587 -3.279 1.00 15.00 A H -ATOM 5382 NE ARG A 435 27.263 10.201 -2.250 1.00 15.00 A N -ATOM 5383 HE ARG A 435 26.354 10.020 -1.933 1.00 15.00 A H -ATOM 5384 CZ ARG A 435 28.273 9.515 -1.706 1.00 15.00 A C -ATOM 5385 NH1 ARG A 435 29.522 9.709 -2.111 1.00 15.00 A N -ATOM 5386 HH11 ARG A 435 29.727 10.394 -2.854 1.00 15.00 A H -ATOM 5387 HH12 ARG A 435 30.294 9.157 -1.689 1.00 15.00 A H -ATOM 5388 NH2 ARG A 435 28.039 8.671 -0.716 1.00 15.00 A N -ATOM 5389 HH21 ARG A 435 28.825 8.137 -0.287 1.00 15.00 A H -ATOM 5390 HH22 ARG A 435 27.066 8.533 -0.364 1.00 15.00 A H -ATOM 5391 C ARG A 435 25.589 8.113 -5.951 1.00 15.00 A C -ATOM 5392 O ARG A 435 26.705 7.601 -6.047 1.00 15.00 A O -ATOM 5393 N VAL A 436 24.516 7.417 -5.592 1.00 15.00 A N -ATOM 5394 HN VAL A 436 23.652 7.870 -5.505 1.00 15.00 A H -ATOM 5395 CA VAL A 436 24.604 5.983 -5.313 1.00 15.00 A C -ATOM 5396 HA VAL A 436 25.647 5.728 -5.217 1.00 15.00 A H -ATOM 5397 CB VAL A 436 23.894 5.622 -3.996 1.00 15.00 A C -ATOM 5398 HB VAL A 436 24.010 4.561 -3.830 1.00 15.00 A H -ATOM 5399 CG1 VAL A 436 24.551 6.356 -2.835 1.00 15.00 A C -ATOM 5400 HG11 VAL A 436 24.113 6.030 -1.905 1.00 15.00 A H -ATOM 5401 HG12 VAL A 436 24.398 7.419 -2.950 1.00 15.00 A H -ATOM 5402 HG13 VAL A 436 25.609 6.145 -2.829 1.00 15.00 A H -ATOM 5403 CG2 VAL A 436 22.402 5.936 -4.061 1.00 15.00 A C -ATOM 5404 HG21 VAL A 436 21.963 5.794 -3.084 1.00 15.00 A H -ATOM 5405 HG22 VAL A 436 21.925 5.275 -4.769 1.00 15.00 A H -ATOM 5406 HG23 VAL A 436 22.261 6.962 -4.371 1.00 15.00 A H -ATOM 5407 C VAL A 436 24.016 5.183 -6.467 1.00 15.00 A C -ATOM 5408 O VAL A 436 23.433 5.765 -7.359 1.00 15.00 A O -ATOM 5409 N TRP A 437 24.187 3.856 -6.457 1.00 15.00 A N -ATOM 5410 HN TRP A 437 24.685 3.444 -5.720 1.00 15.00 A H -ATOM 5411 CA TRP A 437 23.669 3.007 -7.538 1.00 15.00 A C -ATOM 5412 HA TRP A 437 23.304 3.651 -8.320 1.00 15.00 A H -ATOM 5413 CB TRP A 437 24.795 2.140 -8.114 1.00 15.00 A C -ATOM 5414 HB1 TRP A 437 24.378 1.453 -8.837 1.00 15.00 A H -ATOM 5415 HB2 TRP A 437 25.249 1.571 -7.314 1.00 15.00 A H -ATOM 5416 CG TRP A 437 25.879 2.930 -8.794 1.00 15.00 A C -ATOM 5417 CD1 TRP A 437 26.994 3.469 -8.213 1.00 15.00 A C -ATOM 5418 HD1 TRP A 437 27.216 3.406 -7.159 1.00 15.00 A H -ATOM 5419 CD2 TRP A 437 25.964 3.245 -10.190 1.00 15.00 A C -ATOM 5420 NE1 TRP A 437 27.757 4.113 -9.156 1.00 15.00 A N -ATOM 5421 HE1 TRP A 437 28.597 4.582 -8.986 1.00 15.00 A H -ATOM 5422 CE2 TRP A 437 27.153 3.978 -10.381 1.00 15.00 A C -ATOM 5423 CE3 TRP A 437 25.157 2.969 -11.300 1.00 15.00 A C -ATOM 5424 HE3 TRP A 437 24.240 2.409 -11.196 1.00 15.00 A H -ATOM 5425 CZ2 TRP A 437 27.543 4.451 -11.639 1.00 15.00 A C -ATOM 5426 HZ2 TRP A 437 28.451 5.017 -11.781 1.00 15.00 A H -ATOM 5427 CZ3 TRP A 437 25.544 3.436 -12.542 1.00 15.00 A C -ATOM 5428 HZ3 TRP A 437 24.927 3.239 -13.408 1.00 15.00 A H -ATOM 5429 CH2 TRP A 437 26.731 4.164 -12.706 1.00 15.00 A C -ATOM 5430 HH2 TRP A 437 26.993 4.507 -13.695 1.00 15.00 A H -ATOM 5431 C TRP A 437 22.525 2.106 -7.070 1.00 15.00 A C -ATOM 5432 O TRP A 437 21.935 1.377 -7.869 1.00 15.00 A O -ATOM 5433 N TRP A 438 22.207 2.166 -5.786 1.00 15.00 A N -ATOM 5434 HN TRP A 438 22.697 2.778 -5.193 1.00 15.00 A H -ATOM 5435 CA TRP A 438 21.145 1.333 -5.238 1.00 15.00 A C -ATOM 5436 HA TRP A 438 21.009 0.489 -5.906 1.00 15.00 A H -ATOM 5437 CB TRP A 438 21.554 0.807 -3.858 1.00 15.00 A C -ATOM 5438 HB1 TRP A 438 22.290 0.030 -3.989 1.00 15.00 A H -ATOM 5439 HB2 TRP A 438 20.688 0.396 -3.378 1.00 15.00 A H -ATOM 5440 CG TRP A 438 22.140 1.848 -2.947 1.00 15.00 A C -ATOM 5441 CD1 TRP A 438 23.467 2.137 -2.782 1.00 15.00 A C -ATOM 5442 HD1 TRP A 438 24.269 1.619 -3.292 1.00 15.00 A H -ATOM 5443 CD2 TRP A 438 21.424 2.755 -2.097 1.00 15.00 A C -ATOM 5444 NE1 TRP A 438 23.617 3.162 -1.884 1.00 15.00 A N -ATOM 5445 HE1 TRP A 438 24.468 3.549 -1.600 1.00 15.00 A H -ATOM 5446 CE2 TRP A 438 22.377 3.560 -1.449 1.00 15.00 A C -ATOM 5447 CE3 TRP A 438 20.070 2.968 -1.827 1.00 15.00 A C -ATOM 5448 HE3 TRP A 438 19.311 2.375 -2.310 1.00 15.00 A H -ATOM 5449 CZ2 TRP A 438 22.017 4.559 -0.544 1.00 15.00 A C -ATOM 5450 HZ2 TRP A 438 22.755 5.178 -0.046 1.00 15.00 A H -ATOM 5451 CZ3 TRP A 438 19.714 3.958 -0.934 1.00 15.00 A C -ATOM 5452 HZ3 TRP A 438 18.670 4.138 -0.716 1.00 15.00 A H -ATOM 5453 CH2 TRP A 438 20.684 4.747 -0.302 1.00 15.00 A C -ATOM 5454 HH2 TRP A 438 20.358 5.512 0.387 1.00 15.00 A H -ATOM 5455 C TRP A 438 19.823 2.085 -5.127 1.00 15.00 A C -ATOM 5456 O TRP A 438 19.778 3.299 -5.279 1.00 15.00 A O -ATOM 5457 N THR A 439 18.751 1.337 -4.868 1.00 15.00 A N -ATOM 5458 HN THR A 439 18.867 0.367 -4.796 1.00 15.00 A H -ATOM 5459 CA THR A 439 17.413 1.894 -4.685 1.00 15.00 A C -ATOM 5460 HA THR A 439 17.513 2.944 -4.465 1.00 15.00 A H -ATOM 5461 CB THR A 439 16.522 1.728 -5.937 1.00 15.00 A C -ATOM 5462 HB THR A 439 16.360 0.673 -6.109 1.00 15.00 A H -ATOM 5463 OG1 THR A 439 17.166 2.294 -7.084 1.00 15.00 A O -ATOM 5464 HG1 THR A 439 16.731 1.979 -7.880 1.00 15.00 A H -ATOM 5465 CG2 THR A 439 15.171 2.400 -5.729 1.00 15.00 A C -ATOM 5466 HG21 THR A 439 14.754 2.080 -4.784 1.00 15.00 A H -ATOM 5467 HG22 THR A 439 14.504 2.123 -6.528 1.00 15.00 A H -ATOM 5468 HG23 THR A 439 15.299 3.473 -5.719 1.00 15.00 A H -ATOM 5469 C THR A 439 16.740 1.198 -3.510 1.00 15.00 A C -ATOM 5470 O THR A 439 16.409 0.015 -3.589 1.00 15.00 A O -ATOM 5471 N SER A 440 16.533 1.930 -2.424 1.00 15.00 A N -ATOM 5472 HN SER A 440 16.776 2.881 -2.429 1.00 15.00 A H -ATOM 5473 CA SER A 440 15.942 1.348 -1.229 1.00 15.00 A C -ATOM 5474 HA SER A 440 15.444 0.437 -1.519 1.00 15.00 A H -ATOM 5475 CB SER A 440 17.055 1.007 -0.240 1.00 15.00 A C -ATOM 5476 HB1 SER A 440 17.328 1.894 0.316 1.00 15.00 A H -ATOM 5477 HB2 SER A 440 17.915 0.643 -0.786 1.00 15.00 A H -ATOM 5478 OG SER A 440 16.637 0.007 0.668 1.00 15.00 A O -ATOM 5479 HG SER A 440 16.345 -0.764 0.177 1.00 15.00 A H -ATOM 5480 C SER A 440 14.924 2.277 -0.581 1.00 15.00 A C -ATOM 5481 O SER A 440 14.569 3.308 -1.143 1.00 15.00 A O -ATOM 5482 N ASN A 441 14.443 1.888 0.596 1.00 15.00 A N -ATOM 5483 HN ASN A 441 14.745 1.038 0.981 1.00 15.00 A H -ATOM 5484 CA ASN A 441 13.467 2.686 1.314 1.00 15.00 A C -ATOM 5485 HA ASN A 441 13.684 3.724 1.118 1.00 15.00 A H -ATOM 5486 CB ASN A 441 12.051 2.383 0.807 1.00 15.00 A C -ATOM 5487 HB1 ASN A 441 12.073 2.279 -0.268 1.00 15.00 A H -ATOM 5488 HB2 ASN A 441 11.400 3.200 1.072 1.00 15.00 A H -ATOM 5489 CG ASN A 441 11.468 1.112 1.399 1.00 15.00 A C -ATOM 5490 OD1 ASN A 441 11.785 0.012 0.973 1.00 15.00 A O -ATOM 5491 ND2 ASN A 441 10.602 1.265 2.388 1.00 15.00 A N -ATOM 5492 HD21 ASN A 441 10.389 2.176 2.675 1.00 15.00 A H -ATOM 5493 HD22 ASN A 441 10.210 0.462 2.790 1.00 15.00 A H -ATOM 5494 C ASN A 441 13.532 2.451 2.818 1.00 15.00 A C -ATOM 5495 O ASN A 441 14.166 1.513 3.304 1.00 15.00 A O -ATOM 5496 N SER A 442 12.858 3.337 3.524 1.00 15.00 A N -ATOM 5497 HN SER A 442 12.406 4.059 3.042 1.00 15.00 A H -ATOM 5498 CA SER A 442 12.729 3.293 4.968 1.00 15.00 A C -ATOM 5499 HA SER A 442 12.914 2.283 5.303 1.00 15.00 A H -ATOM 5500 CB SER A 442 13.701 4.266 5.638 1.00 15.00 A C -ATOM 5501 HB1 SER A 442 14.596 4.340 5.040 1.00 15.00 A H -ATOM 5502 HB2 SER A 442 13.957 3.899 6.621 1.00 15.00 A H -ATOM 5503 OG SER A 442 13.132 5.557 5.766 1.00 15.00 A O -ATOM 5504 HG SER A 442 13.710 6.111 6.292 1.00 15.00 A H -ATOM 5505 C SER A 442 11.292 3.671 5.263 1.00 15.00 A C -ATOM 5506 O SER A 442 10.635 4.251 4.399 1.00 15.00 A O -ATOM 5507 N ILE A 443 10.773 3.372 6.438 1.00 15.00 A N -ATOM 5508 HN ILE A 443 11.315 2.943 7.135 1.00 15.00 A H -ATOM 5509 CA ILE A 443 9.376 3.702 6.668 1.00 15.00 A C -ATOM 5510 HA ILE A 443 9.056 4.289 5.818 1.00 15.00 A H -ATOM 5511 CB ILE A 443 8.483 2.446 6.714 1.00 15.00 A C -ATOM 5512 HB ILE A 443 7.463 2.762 6.565 1.00 15.00 A H -ATOM 5513 CG1 ILE A 443 8.600 1.745 8.074 1.00 15.00 A C -ATOM 5514 HG11 ILE A 443 8.591 2.492 8.856 1.00 15.00 A H -ATOM 5515 HG12 ILE A 443 9.531 1.203 8.111 1.00 15.00 A H -ATOM 5516 CG2 ILE A 443 8.851 1.495 5.588 1.00 15.00 A C -ATOM 5517 HG21 ILE A 443 9.226 0.572 6.003 1.00 15.00 A H -ATOM 5518 HG22 ILE A 443 9.616 1.949 4.971 1.00 15.00 A H -ATOM 5519 HG23 ILE A 443 7.980 1.295 4.988 1.00 15.00 A H -ATOM 5520 CD1 ILE A 443 7.484 0.762 8.363 1.00 15.00 A C -ATOM 5521 HD11 ILE A 443 7.750 0.160 9.216 1.00 15.00 A H -ATOM 5522 HD12 ILE A 443 7.333 0.126 7.502 1.00 15.00 A H -ATOM 5523 HD13 ILE A 443 6.575 1.305 8.572 1.00 15.00 A H -ATOM 5524 C ILE A 443 9.106 4.516 7.915 1.00 15.00 A C -ATOM 5525 O ILE A 443 9.846 4.490 8.901 1.00 15.00 A O -ATOM 5526 N VAL A 444 8.001 5.235 7.823 1.00 15.00 A N -ATOM 5527 HN VAL A 444 7.509 5.215 6.975 1.00 15.00 A H -ATOM 5528 CA VAL A 444 7.471 6.050 8.892 1.00 15.00 A C -ATOM 5529 HA VAL A 444 7.891 5.699 9.825 1.00 15.00 A H -ATOM 5530 CB VAL A 444 7.813 7.549 8.707 1.00 15.00 A C -ATOM 5531 HB VAL A 444 8.869 7.621 8.490 1.00 15.00 A H -ATOM 5532 CG1 VAL A 444 7.058 8.150 7.533 1.00 15.00 A C -ATOM 5533 HG11 VAL A 444 7.122 7.481 6.686 1.00 15.00 A H -ATOM 5534 HG12 VAL A 444 7.493 9.101 7.273 1.00 15.00 A H -ATOM 5535 HG13 VAL A 444 6.019 8.287 7.804 1.00 15.00 A H -ATOM 5536 CG2 VAL A 444 7.545 8.328 9.986 1.00 15.00 A C -ATOM 5537 HG21 VAL A 444 6.597 8.028 10.405 1.00 15.00 A H -ATOM 5538 HG22 VAL A 444 7.520 9.386 9.765 1.00 15.00 A H -ATOM 5539 HG23 VAL A 444 8.333 8.130 10.699 1.00 15.00 A H -ATOM 5540 C VAL A 444 5.960 5.814 8.902 1.00 15.00 A C -ATOM 5541 O VAL A 444 5.302 5.893 7.864 1.00 15.00 A O -ATOM 5542 N VAL A 445 5.414 5.464 10.048 1.00 15.00 A N -ATOM 5543 HN VAL A 445 5.967 5.403 10.859 1.00 15.00 A H -ATOM 5544 CA VAL A 445 3.996 5.163 10.116 1.00 15.00 A C -ATOM 5545 HA VAL A 445 3.565 5.448 9.171 1.00 15.00 A H -ATOM 5546 CB VAL A 445 3.776 3.633 10.285 1.00 15.00 A C -ATOM 5547 HB VAL A 445 3.630 3.208 9.300 1.00 15.00 A H -ATOM 5548 CG1 VAL A 445 5.002 2.973 10.897 1.00 15.00 A C -ATOM 5549 HG11 VAL A 445 4.804 2.741 11.930 1.00 15.00 A H -ATOM 5550 HG12 VAL A 445 5.843 3.648 10.833 1.00 15.00 A H -ATOM 5551 HG13 VAL A 445 5.229 2.066 10.358 1.00 15.00 A H -ATOM 5552 CG2 VAL A 445 2.541 3.323 11.117 1.00 15.00 A C -ATOM 5553 HG21 VAL A 445 1.659 3.649 10.584 1.00 15.00 A H -ATOM 5554 HG22 VAL A 445 2.607 3.845 12.057 1.00 15.00 A H -ATOM 5555 HG23 VAL A 445 2.484 2.261 11.296 1.00 15.00 A H -ATOM 5556 C VAL A 445 3.285 5.951 11.210 1.00 15.00 A C -ATOM 5557 O VAL A 445 3.846 6.215 12.273 1.00 15.00 A O -ATOM 5558 N PHE A 446 2.046 6.346 10.907 1.00 15.00 A N -ATOM 5559 HN PHE A 446 1.688 6.125 10.022 1.00 15.00 A H -ATOM 5560 CA PHE A 446 1.207 7.092 11.838 1.00 15.00 A C -ATOM 5561 HA PHE A 446 1.725 7.152 12.778 1.00 15.00 A H -ATOM 5562 CB PHE A 446 0.928 8.509 11.326 1.00 15.00 A C -ATOM 5563 HB1 PHE A 446 0.075 8.901 11.862 1.00 15.00 A H -ATOM 5564 HB2 PHE A 446 0.696 8.463 10.274 1.00 15.00 A H -ATOM 5565 CG PHE A 446 2.068 9.473 11.503 1.00 15.00 A C -ATOM 5566 CD1 PHE A 446 3.329 9.191 10.996 1.00 15.00 A C -ATOM 5567 HD1 PHE A 446 3.492 8.261 10.469 1.00 15.00 A H -ATOM 5568 CD2 PHE A 446 1.875 10.671 12.175 1.00 15.00 A C -ATOM 5569 HD2 PHE A 446 0.899 10.902 12.572 1.00 15.00 A H -ATOM 5570 CE1 PHE A 446 4.370 10.078 11.160 1.00 15.00 A C -ATOM 5571 HE1 PHE A 446 5.340 9.850 10.750 1.00 15.00 A H -ATOM 5572 CE2 PHE A 446 2.916 11.564 12.338 1.00 15.00 A C -ATOM 5573 HE2 PHE A 446 2.752 12.498 12.853 1.00 15.00 A H -ATOM 5574 CZ PHE A 446 4.165 11.266 11.833 1.00 15.00 A C -ATOM 5575 HZ PHE A 446 4.980 11.965 11.957 1.00 15.00 A H -ATOM 5576 C PHE A 446 -0.121 6.373 12.043 1.00 15.00 A C -ATOM 5577 O PHE A 446 -0.587 5.649 11.166 1.00 15.00 A O -ATOM 5578 N CYS A 447 -0.728 6.580 13.203 1.00 15.00 A N -ATOM 5579 HN CYS A 447 -0.305 7.169 13.865 1.00 15.00 A H -ATOM 5580 CA CYS A 447 -2.008 5.959 13.519 1.00 15.00 A C -ATOM 5581 HA CYS A 447 -2.330 5.407 12.649 1.00 15.00 A H -ATOM 5582 HB1 CYS A 447 -2.770 5.007 15.279 1.00 15.00 A H -ATOM 5583 HB2 CYS A 447 -1.037 5.307 15.314 1.00 15.00 A H -ATOM 5584 C CYS A 447 -3.054 7.023 13.841 1.00 15.00 A C -ATOM 5585 O CYS A 447 -2.713 8.119 14.285 1.00 15.00 A O -ATOM 5586 CB CYS A 447 -1.863 4.991 14.696 1.00 15.00 A C -ATOM 5587 SG CYS A 447 -1.554 3.268 14.199 1.00 15.00 A S -ATOM 5588 N GLY A 448 -4.323 6.698 13.606 1.00 15.00 A N -ATOM 5589 HN GLY A 448 -4.533 5.813 13.245 1.00 15.00 A H -ATOM 5590 CA GLY A 448 -5.395 7.641 13.882 1.00 15.00 A C -ATOM 5591 HA1 GLY A 448 -6.320 7.257 13.481 1.00 15.00 A H -ATOM 5592 HA2 GLY A 448 -5.162 8.576 13.394 1.00 15.00 A H -ATOM 5593 C GLY A 448 -5.566 7.899 15.367 1.00 15.00 A C -ATOM 5594 O GLY A 448 -5.380 6.998 16.187 1.00 15.00 A O -ATOM 5595 N THR A 449 -5.932 9.127 15.716 1.00 15.00 A N -ATOM 5596 HN THR A 449 -6.095 9.797 15.021 1.00 15.00 A H -ATOM 5597 CA THR A 449 -6.098 9.495 17.115 1.00 15.00 A C -ATOM 5598 HA THR A 449 -6.274 8.594 17.681 1.00 15.00 A H -ATOM 5599 CB THR A 449 -4.815 10.159 17.657 1.00 15.00 A C -ATOM 5600 HB THR A 449 -4.013 9.440 17.604 1.00 15.00 A H -ATOM 5601 OG1 THR A 449 -4.991 10.557 19.023 1.00 15.00 A O -ATOM 5602 HG1 THR A 449 -5.412 11.419 19.058 1.00 15.00 A H -ATOM 5603 CG2 THR A 449 -4.434 11.369 16.805 1.00 15.00 A C -ATOM 5604 HG21 THR A 449 -3.853 11.042 15.956 1.00 15.00 A H -ATOM 5605 HG22 THR A 449 -3.854 12.061 17.396 1.00 15.00 A H -ATOM 5606 HG23 THR A 449 -5.332 11.859 16.455 1.00 15.00 A H -ATOM 5607 C THR A 449 -7.274 10.443 17.326 1.00 15.00 A C -ATOM 5608 O THR A 449 -7.505 11.350 16.531 1.00 15.00 A O -ATOM 5609 N SER A 450 -8.009 10.218 18.412 1.00 15.00 A N -ATOM 5610 HN SER A 450 -7.774 9.464 18.992 1.00 15.00 A H -ATOM 5611 CA SER A 450 -9.154 11.051 18.769 1.00 15.00 A C -ATOM 5612 HA SER A 450 -9.523 11.520 17.869 1.00 15.00 A H -ATOM 5613 CB SER A 450 -10.266 10.194 19.385 1.00 15.00 A C -ATOM 5614 HB1 SER A 450 -10.714 9.580 18.619 1.00 15.00 A H -ATOM 5615 HB2 SER A 450 -11.020 10.842 19.811 1.00 15.00 A H -ATOM 5616 OG SER A 450 -9.762 9.353 20.408 1.00 15.00 A O -ATOM 5617 HG SER A 450 -9.244 9.873 21.024 1.00 15.00 A H -ATOM 5618 C SER A 450 -8.733 12.137 19.760 1.00 15.00 A C -ATOM 5619 O SER A 450 -9.550 12.951 20.188 1.00 15.00 A O -ATOM 5620 N GLY A 451 -7.451 12.130 20.126 1.00 15.00 A N -ATOM 5621 HN GLY A 451 -6.851 11.446 19.757 1.00 15.00 A H -ATOM 5622 CA GLY A 451 -6.930 13.108 21.069 1.00 15.00 A C -ATOM 5623 HA1 GLY A 451 -6.128 12.652 21.631 1.00 15.00 A H -ATOM 5624 HA2 GLY A 451 -7.716 13.387 21.753 1.00 15.00 A H -ATOM 5625 C GLY A 451 -6.396 14.364 20.399 1.00 15.00 A C -ATOM 5626 O GLY A 451 -6.923 14.805 19.375 1.00 15.00 A O -ATOM 5627 N THR A 452 -5.355 14.950 20.991 1.00 15.00 A N -ATOM 5628 HN THR A 452 -5.010 14.565 21.824 1.00 15.00 A H -ATOM 5629 CA THR A 452 -4.722 16.157 20.451 1.00 15.00 A C -ATOM 5630 HA THR A 452 -5.320 16.505 19.622 1.00 15.00 A H -ATOM 5631 CB THR A 452 -4.652 17.285 21.512 1.00 15.00 A C -ATOM 5632 HB THR A 452 -3.967 16.982 22.292 1.00 15.00 A H -ATOM 5633 OG1 THR A 452 -5.946 17.501 22.089 1.00 15.00 A O -ATOM 5634 HG1 THR A 452 -6.054 16.933 22.855 1.00 15.00 A H -ATOM 5635 CG2 THR A 452 -4.149 18.590 20.902 1.00 15.00 A C -ATOM 5636 HG21 THR A 452 -3.125 18.464 20.577 1.00 15.00 A H -ATOM 5637 HG22 THR A 452 -4.197 19.378 21.637 1.00 15.00 A H -ATOM 5638 HG23 THR A 452 -4.763 18.850 20.052 1.00 15.00 A H -ATOM 5639 C THR A 452 -3.301 15.852 19.956 1.00 15.00 A C -ATOM 5640 O THR A 452 -2.667 14.901 20.417 1.00 15.00 A O -ATOM 5641 N TYR A 453 -2.809 16.652 19.002 1.00 15.00 A N -ATOM 5642 HN TYR A 453 -3.373 17.370 18.639 1.00 15.00 A H -ATOM 5643 CA TYR A 453 -1.457 16.476 18.466 1.00 15.00 A C -ATOM 5644 HA TYR A 453 -0.863 16.015 19.236 1.00 15.00 A H -ATOM 5645 CB TYR A 453 -1.481 15.552 17.243 1.00 15.00 A C -ATOM 5646 HB1 TYR A 453 -1.709 14.550 17.559 1.00 15.00 A H -ATOM 5647 HB2 TYR A 453 -0.507 15.559 16.779 1.00 15.00 A H -ATOM 5648 CG TYR A 453 -2.494 15.956 16.198 1.00 15.00 A C -ATOM 5649 CD1 TYR A 453 -2.158 16.848 15.189 1.00 15.00 A C -ATOM 5650 HD1 TYR A 453 -1.158 17.252 15.156 1.00 15.00 A H -ATOM 5651 CD2 TYR A 453 -3.788 15.451 16.221 1.00 15.00 A C -ATOM 5652 HD2 TYR A 453 -4.066 14.753 16.991 1.00 15.00 A H -ATOM 5653 CE1 TYR A 453 -3.082 17.230 14.232 1.00 15.00 A C -ATOM 5654 HE1 TYR A 453 -2.804 17.925 13.454 1.00 15.00 A H -ATOM 5655 CE2 TYR A 453 -4.719 15.825 15.272 1.00 15.00 A C -ATOM 5656 HE2 TYR A 453 -5.735 15.436 15.323 1.00 15.00 A H -ATOM 5657 CZ TYR A 453 -4.358 16.717 14.282 1.00 15.00 A C -ATOM 5658 OH TYR A 453 -5.281 17.091 13.337 1.00 15.00 A O -ATOM 5659 HH TYR A 453 -4.908 17.000 12.457 1.00 15.00 A H -ATOM 5660 C TYR A 453 -0.825 17.824 18.101 1.00 15.00 A C -ATOM 5661 O TYR A 453 -1.479 18.866 18.176 1.00 15.00 A O -ATOM 5662 N GLY A 454 0.453 17.794 17.697 1.00 15.00 A N -ATOM 5663 HN GLY A 454 0.920 16.934 17.665 1.00 15.00 A H -ATOM 5664 CA GLY A 454 1.163 19.016 17.327 1.00 15.00 A C -ATOM 5665 HA1 GLY A 454 2.093 19.048 17.878 1.00 15.00 A H -ATOM 5666 HA2 GLY A 454 0.565 19.868 17.612 1.00 15.00 A H -ATOM 5667 C GLY A 454 1.484 19.116 15.837 1.00 15.00 A C -ATOM 5668 O GLY A 454 0.633 18.848 14.988 1.00 15.00 A O -ATOM 5669 N THR A 455 2.723 19.529 15.538 1.00 15.00 A N -ATOM 5670 HN THR A 455 3.332 19.745 16.275 1.00 15.00 A H -ATOM 5671 CA THR A 455 3.209 19.675 14.157 1.00 15.00 A C -ATOM 5672 HA THR A 455 2.577 19.079 13.513 1.00 15.00 A H -ATOM 5673 CB THR A 455 3.153 21.152 13.675 1.00 15.00 A C -ATOM 5674 HB THR A 455 3.355 21.796 14.520 1.00 15.00 A H -ATOM 5675 OG1 THR A 455 1.851 21.454 13.169 1.00 15.00 A O -ATOM 5676 HG1 THR A 455 1.257 21.631 13.900 1.00 15.00 A H -ATOM 5677 CG2 THR A 455 4.195 21.443 12.591 1.00 15.00 A C -ATOM 5678 HG21 THR A 455 4.123 22.474 12.276 1.00 15.00 A H -ATOM 5679 HG22 THR A 455 4.021 20.795 11.744 1.00 15.00 A H -ATOM 5680 HG23 THR A 455 5.185 21.253 12.985 1.00 15.00 A H -ATOM 5681 C THR A 455 4.651 19.180 14.040 1.00 15.00 A C -ATOM 5682 O THR A 455 5.421 19.264 14.998 1.00 15.00 A O -ATOM 5683 N GLY A 456 5.015 18.656 12.869 1.00 15.00 A N -ATOM 5684 HN GLY A 456 4.358 18.569 12.145 1.00 15.00 A H -ATOM 5685 CA GLY A 456 6.381 18.210 12.671 1.00 15.00 A C -ATOM 5686 HA1 GLY A 456 6.627 17.493 13.439 1.00 15.00 A H -ATOM 5687 HA2 GLY A 456 7.032 19.066 12.774 1.00 15.00 A H -ATOM 5688 C GLY A 456 6.632 17.587 11.313 1.00 15.00 A C -ATOM 5689 O GLY A 456 5.765 17.597 10.441 1.00 15.00 A O -ATOM 5690 N SER A 457 7.835 17.050 11.138 1.00 15.00 A N -ATOM 5691 HN SER A 457 8.482 17.082 11.875 1.00 15.00 A H -ATOM 5692 CA SER A 457 8.225 16.416 9.885 1.00 15.00 A C -ATOM 5693 HA SER A 457 7.332 16.027 9.422 1.00 15.00 A H -ATOM 5694 CB SER A 457 8.854 17.455 8.959 1.00 15.00 A C -ATOM 5695 HB1 SER A 457 9.713 17.895 9.445 1.00 15.00 A H -ATOM 5696 HB2 SER A 457 8.130 18.228 8.748 1.00 15.00 A H -ATOM 5697 OG SER A 457 9.268 16.877 7.735 1.00 15.00 A O -ATOM 5698 HG SER A 457 8.935 15.981 7.675 1.00 15.00 A H -ATOM 5699 C SER A 457 9.184 15.262 10.146 1.00 15.00 A C -ATOM 5700 O SER A 457 10.238 15.438 10.759 1.00 15.00 A O -ATOM 5701 N TRP A 458 8.802 14.072 9.684 1.00 15.00 A N -ATOM 5702 HN TRP A 458 7.946 13.997 9.208 1.00 15.00 A H -ATOM 5703 CA TRP A 458 9.606 12.871 9.893 1.00 15.00 A C -ATOM 5704 HA TRP A 458 10.480 13.156 10.452 1.00 15.00 A H -ATOM 5705 CB TRP A 458 8.799 11.858 10.723 1.00 15.00 A C -ATOM 5706 HB1 TRP A 458 9.407 10.978 10.880 1.00 15.00 A H -ATOM 5707 HB2 TRP A 458 7.915 11.583 10.172 1.00 15.00 A H -ATOM 5708 CG TRP A 458 8.368 12.379 12.069 1.00 15.00 A C -ATOM 5709 CD1 TRP A 458 8.995 12.180 13.268 1.00 15.00 A C -ATOM 5710 HD1 TRP A 458 9.892 11.589 13.388 1.00 15.00 A H -ATOM 5711 CD2 TRP A 458 7.222 13.196 12.348 1.00 15.00 A C -ATOM 5712 NE1 TRP A 458 8.316 12.826 14.273 1.00 15.00 A N -ATOM 5713 HE1 TRP A 458 8.571 12.836 15.217 1.00 15.00 A H -ATOM 5714 CE2 TRP A 458 7.225 13.462 13.731 1.00 15.00 A C -ATOM 5715 CE3 TRP A 458 6.200 13.734 11.564 1.00 15.00 A C -ATOM 5716 HE3 TRP A 458 6.164 13.554 10.504 1.00 15.00 A H -ATOM 5717 CZ2 TRP A 458 6.240 14.249 14.341 1.00 15.00 A C -ATOM 5718 HZ2 TRP A 458 6.244 14.453 15.407 1.00 15.00 A H -ATOM 5719 CZ3 TRP A 458 5.226 14.509 12.166 1.00 15.00 A C -ATOM 5720 HZ3 TRP A 458 4.429 14.927 11.572 1.00 15.00 A H -ATOM 5721 CH2 TRP A 458 5.252 14.761 13.544 1.00 15.00 A C -ATOM 5722 HH2 TRP A 458 4.471 15.375 13.970 1.00 15.00 A H -ATOM 5723 C TRP A 458 10.062 12.220 8.571 1.00 15.00 A C -ATOM 5724 O TRP A 458 9.480 11.225 8.137 1.00 15.00 A O -ATOM 5725 N PRO A 459 11.110 12.766 7.913 1.00 15.00 A N -ATOM 5726 CA PRO A 459 11.636 12.202 6.658 1.00 15.00 A C -ATOM 5727 HA PRO A 459 10.842 11.897 5.990 1.00 15.00 A H -ATOM 5728 CB PRO A 459 12.398 13.378 6.060 1.00 15.00 A C -ATOM 5729 HB1 PRO A 459 11.738 13.979 5.457 1.00 15.00 A H -ATOM 5730 HB2 PRO A 459 13.229 13.012 5.470 1.00 15.00 A H -ATOM 5731 CG PRO A 459 12.878 14.159 7.234 1.00 15.00 A C -ATOM 5732 HG1 PRO A 459 12.963 15.202 6.969 1.00 15.00 A H -ATOM 5733 HG2 PRO A 459 13.833 13.773 7.561 1.00 15.00 A H -ATOM 5734 CD PRO A 459 11.842 13.986 8.316 1.00 15.00 A C -ATOM 5735 HD1 PRO A 459 11.181 14.840 8.343 1.00 15.00 A H -ATOM 5736 HD2 PRO A 459 12.319 13.849 9.274 1.00 15.00 A H -ATOM 5737 C PRO A 459 12.592 11.033 6.904 1.00 15.00 A C -ATOM 5738 O PRO A 459 12.734 10.575 8.040 1.00 15.00 A O -ATOM 5739 N ASP A 460 13.236 10.550 5.835 1.00 15.00 A N -ATOM 5740 HN ASP A 460 13.054 10.937 4.952 1.00 15.00 A H -ATOM 5741 CA ASP A 460 14.194 9.445 5.946 1.00 15.00 A C -ATOM 5742 HA ASP A 460 13.661 8.594 6.345 1.00 15.00 A H -ATOM 5743 CB ASP A 460 14.760 9.076 4.569 1.00 15.00 A C -ATOM 5744 HB1 ASP A 460 15.149 9.964 4.097 1.00 15.00 A H -ATOM 5745 HB2 ASP A 460 13.967 8.667 3.960 1.00 15.00 A H -ATOM 5746 CG ASP A 460 15.871 8.046 4.649 1.00 15.00 A C -ATOM 5747 OD1 ASP A 460 15.587 6.891 5.024 1.00 15.00 A O -ATOM 5748 OD2 ASP A 460 17.023 8.398 4.334 1.00 15.00 A O -ATOM 5749 C ASP A 460 15.311 9.823 6.928 1.00 15.00 A C -ATOM 5750 O ASP A 460 15.468 9.180 7.965 1.00 15.00 A O -ATOM 5751 N GLY A 461 16.090 10.856 6.598 1.00 15.00 A N -ATOM 5752 HN GLY A 461 15.964 11.303 5.733 1.00 15.00 A H -ATOM 5753 CA GLY A 461 17.126 11.319 7.517 1.00 15.00 A C -ATOM 5754 HA1 GLY A 461 16.942 10.870 8.481 1.00 15.00 A H -ATOM 5755 HA2 GLY A 461 17.032 12.388 7.619 1.00 15.00 A H -ATOM 5756 C GLY A 461 18.562 11.011 7.109 1.00 15.00 A C -ATOM 5757 O GLY A 461 19.492 11.597 7.662 1.00 15.00 A O -ATOM 5758 N ALA A 462 18.755 10.097 6.166 1.00 15.00 A N -ATOM 5759 HN ALA A 462 17.981 9.645 5.765 1.00 15.00 A H -ATOM 5760 CA ALA A 462 20.103 9.731 5.725 1.00 15.00 A C -ATOM 5761 HA ALA A 462 20.697 9.512 6.598 1.00 15.00 A H -ATOM 5762 CB ALA A 462 20.046 8.473 4.872 1.00 15.00 A C -ATOM 5763 HB1 ALA A 462 19.559 8.701 3.932 1.00 15.00 A H -ATOM 5764 HB2 ALA A 462 19.489 7.709 5.388 1.00 15.00 A H -ATOM 5765 HB3 ALA A 462 21.051 8.118 4.677 1.00 15.00 A H -ATOM 5766 C ALA A 462 20.785 10.840 4.924 1.00 15.00 A C -ATOM 5767 O ALA A 462 20.136 11.601 4.216 1.00 15.00 A O -ATOM 5768 N ASN A 463 22.101 10.946 5.067 1.00 15.00 A N -ATOM 5769 HN ASN A 463 22.567 10.376 5.713 1.00 15.00 A H -ATOM 5770 CA ASN A 463 22.855 11.905 4.281 1.00 15.00 A C -ATOM 5771 HA ASN A 463 22.162 12.646 3.907 1.00 15.00 A H -ATOM 5772 CB ASN A 463 23.952 12.600 5.103 1.00 15.00 A C -ATOM 5773 HB1 ASN A 463 24.713 11.880 5.367 1.00 15.00 A H -ATOM 5774 HB2 ASN A 463 23.514 13.002 6.007 1.00 15.00 A H -ATOM 5775 CG ASN A 463 24.611 13.746 4.343 1.00 15.00 A C -ATOM 5776 OD1 ASN A 463 24.771 13.693 3.126 1.00 15.00 A O -ATOM 5777 ND2 ASN A 463 24.990 14.797 5.058 1.00 15.00 A N -ATOM 5778 HD21 ASN A 463 24.830 14.785 6.024 1.00 15.00 A H -ATOM 5779 HD22 ASN A 463 25.415 15.545 4.586 1.00 15.00 A H -ATOM 5780 C ASN A 463 23.434 11.137 3.102 1.00 15.00 A C -ATOM 5781 O ASN A 463 24.320 10.300 3.272 1.00 15.00 A O -ATOM 5782 N ILE A 464 22.882 11.405 1.916 1.00 15.00 A N -ATOM 5783 HN ILE A 464 22.173 12.082 1.876 1.00 15.00 A H -ATOM 5784 CA ILE A 464 23.277 10.729 0.677 1.00 15.00 A C -ATOM 5785 HA ILE A 464 22.983 9.695 0.783 1.00 15.00 A H -ATOM 5786 CB ILE A 464 22.485 11.307 -0.535 1.00 15.00 A C -ATOM 5787 HB ILE A 464 21.818 12.070 -0.159 1.00 15.00 A H -ATOM 5788 CG1 ILE A 464 21.640 10.202 -1.180 1.00 15.00 A C -ATOM 5789 HG11 ILE A 464 20.970 10.641 -1.903 1.00 15.00 A H -ATOM 5790 HG12 ILE A 464 21.058 9.713 -0.414 1.00 15.00 A H -ATOM 5791 CG2 ILE A 464 23.397 11.962 -1.569 1.00 15.00 A C -ATOM 5792 HG21 ILE A 464 23.844 12.848 -1.146 1.00 15.00 A H -ATOM 5793 HG22 ILE A 464 22.816 12.231 -2.441 1.00 15.00 A H -ATOM 5794 HG23 ILE A 464 24.173 11.267 -1.854 1.00 15.00 A H -ATOM 5795 CD1 ILE A 464 22.455 9.138 -1.887 1.00 15.00 A C -ATOM 5796 HD11 ILE A 464 22.915 9.560 -2.769 1.00 15.00 A H -ATOM 5797 HD12 ILE A 464 21.812 8.319 -2.172 1.00 15.00 A H -ATOM 5798 HD13 ILE A 464 23.225 8.774 -1.221 1.00 15.00 A H -ATOM 5799 C ILE A 464 24.793 10.758 0.416 1.00 15.00 A C -ATOM 5800 O ILE A 464 25.304 9.919 -0.323 1.00 15.00 A O -ATOM 5801 N ASN A 465 25.506 11.688 1.051 1.00 15.00 A N -ATOM 5802 HN ASN A 465 25.052 12.301 1.668 1.00 15.00 A H -ATOM 5803 CA ASN A 465 26.952 11.811 0.861 1.00 15.00 A C -ATOM 5804 HA ASN A 465 27.169 11.521 -0.157 1.00 15.00 A H -ATOM 5805 CB ASN A 465 27.393 13.268 1.049 1.00 15.00 A C -ATOM 5806 HB1 ASN A 465 28.471 13.314 1.057 1.00 15.00 A H -ATOM 5807 HB2 ASN A 465 27.014 13.636 1.992 1.00 15.00 A H -ATOM 5808 CG ASN A 465 26.882 14.175 -0.057 1.00 15.00 A C -ATOM 5809 OD1 ASN A 465 26.041 15.044 0.172 1.00 15.00 A O -ATOM 5810 ND2 ASN A 465 27.386 13.968 -1.268 1.00 15.00 A N -ATOM 5811 HD21 ASN A 465 28.046 13.252 -1.378 1.00 15.00 A H -ATOM 5812 HD22 ASN A 465 27.078 14.540 -2.003 1.00 15.00 A H -ATOM 5813 C ASN A 465 27.741 10.889 1.802 1.00 15.00 A C -ATOM 5814 O ASN A 465 28.947 10.708 1.632 1.00 15.00 A O -ATOM 5815 N PHE A 466 27.056 10.300 2.782 1.00 15.00 A N -ATOM 5816 HN PHE A 466 26.096 10.486 2.868 1.00 15.00 A H -ATOM 5817 CA PHE A 466 27.693 9.392 3.745 1.00 15.00 A C -ATOM 5818 HA PHE A 466 28.753 9.589 3.751 1.00 15.00 A H -ATOM 5819 CB PHE A 466 27.122 9.610 5.160 1.00 15.00 A C -ATOM 5820 HB1 PHE A 466 27.563 8.879 5.826 1.00 15.00 A H -ATOM 5821 HB2 PHE A 466 26.056 9.442 5.129 1.00 15.00 A H -ATOM 5822 CG PHE A 466 27.341 10.972 5.778 1.00 15.00 A C -ATOM 5823 CD1 PHE A 466 28.224 11.894 5.230 1.00 15.00 A C -ATOM 5824 HD1 PHE A 466 28.784 11.636 4.344 1.00 15.00 A H -ATOM 5825 CD2 PHE A 466 26.645 11.322 6.928 1.00 15.00 A C -ATOM 5826 HD2 PHE A 466 25.944 10.619 7.352 1.00 15.00 A H -ATOM 5827 CE1 PHE A 466 28.406 13.135 5.823 1.00 15.00 A C -ATOM 5828 HE1 PHE A 466 29.087 13.850 5.385 1.00 15.00 A H -ATOM 5829 CE2 PHE A 466 26.826 12.553 7.523 1.00 15.00 A C -ATOM 5830 HE2 PHE A 466 26.289 12.801 8.426 1.00 15.00 A H -ATOM 5831 CZ PHE A 466 27.711 13.461 6.973 1.00 15.00 A C -ATOM 5832 HZ PHE A 466 27.852 14.425 7.440 1.00 15.00 A H -ATOM 5833 C PHE A 466 27.448 7.921 3.364 1.00 15.00 A C -ATOM 5834 O PHE A 466 28.157 7.027 3.824 1.00 15.00 A O -ATOM 5835 N MET A 467 26.446 7.695 2.516 1.00 15.00 A N -ATOM 5836 HN MET A 467 25.967 8.465 2.144 1.00 15.00 A H -ATOM 5837 CA MET A 467 26.027 6.345 2.108 1.00 15.00 A C -ATOM 5838 HA MET A 467 25.906 5.753 3.000 1.00 15.00 A H -ATOM 5839 CB MET A 467 24.678 6.430 1.395 1.00 15.00 A C -ATOM 5840 HB1 MET A 467 24.351 5.430 1.155 1.00 15.00 A H -ATOM 5841 HB2 MET A 467 24.809 6.985 0.476 1.00 15.00 A H -ATOM 5842 CG MET A 467 23.590 7.106 2.202 1.00 15.00 A C -ATOM 5843 HG1 MET A 467 22.705 7.183 1.588 1.00 15.00 A H -ATOM 5844 HG2 MET A 467 23.927 8.096 2.476 1.00 15.00 A H -ATOM 5845 SD MET A 467 23.177 6.198 3.703 1.00 15.00 A S -ATOM 5846 CE MET A 467 22.798 4.581 3.027 1.00 15.00 A C -ATOM 5847 HE1 MET A 467 23.715 4.069 2.787 1.00 15.00 A H -ATOM 5848 HE2 MET A 467 22.206 4.695 2.132 1.00 15.00 A H -ATOM 5849 HE3 MET A 467 22.244 4.007 3.755 1.00 15.00 A H -ATOM 5850 C MET A 467 26.991 5.626 1.161 1.00 15.00 A C -ATOM 5851 O MET A 467 27.522 6.227 0.230 1.00 15.00 A O -ATOM 5852 N PRO A 468 27.224 4.313 1.391 1.00 15.00 A N -ATOM 5853 CA PRO A 468 28.043 3.499 0.490 1.00 15.00 A C -ATOM 5854 HA PRO A 468 29.058 3.867 0.413 1.00 15.00 A H -ATOM 5855 CB PRO A 468 28.020 2.099 1.117 1.00 15.00 A C -ATOM 5856 HB1 PRO A 468 28.955 1.896 1.616 1.00 15.00 A H -ATOM 5857 HB2 PRO A 468 27.839 1.360 0.344 1.00 15.00 A H -ATOM 5858 CG PRO A 468 26.900 2.116 2.103 1.00 15.00 A C -ATOM 5859 HG1 PRO A 468 27.142 1.488 2.948 1.00 15.00 A H -ATOM 5860 HG2 PRO A 468 25.993 1.772 1.627 1.00 15.00 A H -ATOM 5861 CD PRO A 468 26.747 3.539 2.552 1.00 15.00 A C -ATOM 5862 HD1 PRO A 468 27.360 3.732 3.421 1.00 15.00 A H -ATOM 5863 HD2 PRO A 468 25.712 3.757 2.765 1.00 15.00 A H -ATOM 5864 C PRO A 468 27.384 3.464 -0.885 1.00 15.00 A C -ATOM 5865 O PRO A 468 26.192 3.189 -0.985 1.00 15.00 A O -ATOM 5866 N ILE A 469 28.138 3.747 -1.935 1.00 15.00 A N -ATOM 5867 HN ILE A 469 29.092 3.928 -1.813 1.00 15.00 A H -ATOM 5868 CA ILE A 469 27.562 3.772 -3.277 1.00 15.00 A C -ATOM 5869 HA ILE A 469 26.576 4.206 -3.197 1.00 15.00 A H -ATOM 5870 CB ILE A 469 28.393 4.652 -4.234 1.00 15.00 A C -ATOM 5871 HB ILE A 469 27.868 4.713 -5.175 1.00 15.00 A H -ATOM 5872 CG1 ILE A 469 29.772 4.031 -4.465 1.00 15.00 A C -ATOM 5873 HG11 ILE A 469 29.669 2.957 -4.512 1.00 15.00 A H -ATOM 5874 HG12 ILE A 469 30.416 4.292 -3.639 1.00 15.00 A H -ATOM 5875 CG2 ILE A 469 28.528 6.064 -3.673 1.00 15.00 A C -ATOM 5876 HG21 ILE A 469 29.528 6.426 -3.858 1.00 15.00 A H -ATOM 5877 HG22 ILE A 469 28.338 6.048 -2.611 1.00 15.00 A H -ATOM 5878 HG23 ILE A 469 27.815 6.711 -4.158 1.00 15.00 A H -ATOM 5879 CD1 ILE A 469 30.446 4.493 -5.737 1.00 15.00 A C -ATOM 5880 HD11 ILE A 469 29.946 4.051 -6.585 1.00 15.00 A H -ATOM 5881 HD12 ILE A 469 31.481 4.185 -5.727 1.00 15.00 A H -ATOM 5882 HD13 ILE A 469 30.387 5.568 -5.805 1.00 15.00 A H -ATOM 5883 C ILE A 469 27.426 2.369 -3.868 1.00 15.00 A C -ATOM 5884 O ILE A 469 27.830 1.378 -3.262 1.00 15.00 A O ATOM 5885 C82 G39 B 500 2.819 -3.696 -13.410 1.00 15.00 B C ATOM 5886 C81 G39 B 500 2.614 -2.210 -13.614 1.00 15.00 B C ATOM 5887 C8 G39 B 500 2.781 -1.396 -12.332 1.00 15.00 B C From 5250c1aef5c8063b9ae216238ea2d3c279ddf25b Mon Sep 17 00:00:00 2001 From: VGPReys Date: Mon, 6 Oct 2025 22:23:16 +0200 Subject: [PATCH 008/101] updating tests --- integration_tests/test_alascan.py | 13 +++++++------ 1 file changed, 7 insertions(+), 6 deletions(-) diff --git a/integration_tests/test_alascan.py b/integration_tests/test_alascan.py index a27d9e7da3..3bcfa5d0be 100644 --- a/integration_tests/test_alascan.py +++ b/integration_tests/test_alascan.py @@ -92,12 +92,13 @@ def __init__(self, path): self.path = path def retrieve_models(self, individualize: bool = False): + fname = "protlig_complex_1.pdb" shutil.copy( - Path(GOLDEN_DATA, "protlig_complex_1.pdb"), - Path(self.path, "protlig_complex_1.pdb"), + Path(GOLDEN_DATA, fname), + Path(self.path, fname), ) model_list = [ - PDBFile(file_name="protlig_complex_1.pdb", path=self.path), + PDBFile(file_name=fname, path=self.path), ] return model_list @@ -186,7 +187,7 @@ def test_alascan_mutation_resiudes(): assert config_allowed_resiudes == script_allowed_resiudes -def test_alascan_with_ligand_topar(alascan_module_protlig): +def test_alascan_with_ligand_topar(alascan_module_protlig, mocker): """Test the use of alascan in presence of a ligand.""" alascan_module_protlig.previous_io = MockPreviousIO_protlig(path=alascan_module_protlig.path) alascan_module_protlig.run() @@ -208,7 +209,7 @@ def test_alascan_with_ligand_topar(alascan_module_protlig): assert file_content.count("G39") > 20 -def test_alascan_without_ligand_topar(alascan_module): +def test_alascan_without_ligand_topar(alascan_module, mocker): """Test the use of alascan in presence of a ligand without topo/param.""" alascan_module.previous_io = MockPreviousIO_protlig(path=alascan_module.path) alascan_module.run() @@ -225,6 +226,6 @@ def test_alascan_without_ligand_topar(alascan_module): # Loop over files for mutated_fpath in mutated_filepaths: - # Make sure the ligand is in it + # Make sure the ligand is not in it file_content = mutated_fpath.read_text() assert file_content.count("G39") == 0 From 756cdb5a90f66c4aa8108c2bdd62f78d3780de99 Mon Sep 17 00:00:00 2001 From: VGPReys Date: Mon, 6 Oct 2025 22:52:54 +0200 Subject: [PATCH 009/101] fixes tests --- integration_tests/test_alascan.py | 33 +++++++++++++++++++------------ 1 file changed, 20 insertions(+), 13 deletions(-) diff --git a/integration_tests/test_alascan.py b/integration_tests/test_alascan.py index 3bcfa5d0be..e8046b7e65 100644 --- a/integration_tests/test_alascan.py +++ b/integration_tests/test_alascan.py @@ -28,21 +28,28 @@ def alascan_module(): @pytest.fixture -def alascan_module_protlig(alascan_module): +def alascan_module_protlig(): """Return a default alascan module.""" - # Copy parameters and toplogy of the ligand - shutil.copy( - Path(GOLDEN_DATA, "ligand.top"), - Path(alascan_module.path, "ligand.top"), - ) - shutil.copy( - Path(GOLDEN_DATA, "ligand.param"), - Path(alascan_module.path, "ligand.param"), + with tempfile.TemporaryDirectory() as tmpdir: + alascan = AlascanModule( + order=0, path=Path(tmpdir), initial_params=DEFAULT_ALASCAN_CONFIG ) - # Set the parameters to point the file - alascan_module.params["ligand_param_fname"] = Path(alascan_module.path, "ligand.param") - alascan_module.params["ligand_top_fname"] = Path(alascan_module.path, "ligand.top") - yield alascan_module + alascan.params["int_cutoff"] = 3.5 + alascan.params["output_mutants"] = True + # Copy parameters and toplogy of the ligand + shutil.copy( + Path(GOLDEN_DATA, "ligand.top"), + Path(alascan.path, "ligand.top"), + ) + shutil.copy( + Path(GOLDEN_DATA, "ligand.param"), + Path(alascan.path, "ligand.param"), + ) + # Set the parameters to point the file + alascan.params["ligand_param_fname"] = Path(alascan.path, "ligand.param") + alascan.params["ligand_top_fname"] = Path(alascan.path, "ligand.top") + yield alascan + class MockPreviousIO: def __init__(self, path): From cc4f7a07155e955e4f3a6e00ef5bd0b77e45da19 Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Wed, 8 Oct 2025 13:19:31 +0200 Subject: [PATCH 010/101] support to python3.14 --- .github/workflows/ci.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 104e79287e..51c8d3e3cf 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -25,7 +25,7 @@ jobs: checks: write strategy: matrix: - python-version: ["3.9", "3.10", "3.11", "3.12", "3.13"] + python-version: ["3.9", "3.10", "3.11", "3.12", "3.13", "3.14"] fail-fast: false steps: From e4f012c0e6bc63d6809c52f669f29d322f194254 Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Wed, 8 Oct 2025 13:20:49 +0200 Subject: [PATCH 011/101] update `pyproject.toml` --- pyproject.toml | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index c1ed143af8..1bf9c2158e 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -25,6 +25,7 @@ classifiers = [ "Programming Language :: Python :: 3.11", "Programming Language :: Python :: 3.12", "Programming Language :: Python :: 3.13", + "Programming Language :: Python :: 3.14", ] keywords = [ "Structural Biology", @@ -33,7 +34,7 @@ keywords = [ "Protein docking", "Proteins", ] -requires-python = ">=3.9, <3.14" +requires-python = ">=3.9, <3.15" dependencies = [ 'pdb-tools>=2.5.0', 'biopython==1.*', From 30e169c50a007bb8f7fc8cc4f215954288479318 Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Wed, 8 Oct 2025 13:22:49 +0200 Subject: [PATCH 012/101] update version in dev job --- .github/workflows/ci.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 51c8d3e3cf..12b5ce971a 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -86,7 +86,7 @@ jobs: - uses: actions/setup-python@v5 with: - python-version: "3.13" + python-version: "3.14" - name: install system dependencies run: | From c96617f77bf463bd01914cf82da621efdef05440 Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Wed, 8 Oct 2025 13:40:08 +0200 Subject: [PATCH 013/101] only measure coverage for haddock3 --- pyproject.toml | 3 +++ 1 file changed, 3 insertions(+) diff --git a/pyproject.toml b/pyproject.toml index 1bf9c2158e..2dcdeadc40 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -96,6 +96,9 @@ haddock3-re = "haddock.clis.cli_re:maincli" haddock3-restraints = "haddock.clis.cli_restraints:maincli" haddock-restraints = "haddock.clis.wrapper_haddock_restraints:main" +[tool.coverage.run] +source = ["haddock3"] + [tool.setuptools] packages = ["haddock"] package-dir = { "" = "src" } From cdd768e09e3d398cec9d3406ae24b29043ca13e7 Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Fri, 10 Oct 2025 12:47:40 +0200 Subject: [PATCH 014/101] add `get_cns_executable()` --- src/haddock/core/defaults.py | 23 +++--------- src/haddock/libs/libutil.py | 68 +++++++++++++++++++++++++++++++++--- 2 files changed, 69 insertions(+), 22 deletions(-) diff --git a/src/haddock/core/defaults.py b/src/haddock/core/defaults.py index efc3e2c090..8f73a5fe70 100644 --- a/src/haddock/core/defaults.py +++ b/src/haddock/core/defaults.py @@ -1,29 +1,16 @@ """All default parameters used by the framework.""" -import os import string -import sys from importlib.resources import files from pathlib import Path import yaml -import haddock -from haddock import core_path, log - - -cns_exec = Path(files(haddock).joinpath("bin/cns")) # type: ignore -if not cns_exec.exists(): - log.warning("CNS executable not found at %s", cns_exec) - _cns_exec = os.environ.get("CNS_EXEC") - if _cns_exec is None: - log.error( - "Please define the location the CNS binary by setting a CNS_EXEC system variable" - ) - sys.exit(1) - else: - cns_exec = Path(_cns_exec) - cns_exec_linux = cns_exec.with_name(cns_exec.name + "_linux") +from haddock import core_path +from haddock.libs.libutil import get_cns_executable + + +cns_exec, cns_exec_linux = get_cns_executable() CONTACT_FCC_EXEC = Path(files("haddock").joinpath("bin/contact_fcc")) # type: ignore FAST_RMSDMATRIX_EXEC = Path(files("haddock").joinpath("bin/fast-rmsdmatrix")) # type: ignore diff --git a/src/haddock/libs/libutil.py b/src/haddock/libs/libutil.py index ca95abd54f..a8349c7506 100644 --- a/src/haddock/libs/libutil.py +++ b/src/haddock/libs/libutil.py @@ -1,4 +1,5 @@ """General utilities.""" + import collections.abc import contextlib import os @@ -10,6 +11,11 @@ from functools import partial from pathlib import Path +from importlib.resources import files + + +import platform +import haddock from haddock import EmptyPath, log from haddock.core.exceptions import SetupError from haddock.core.typing import ( @@ -62,7 +68,7 @@ def make_list_if_string(item: Union[str, list[str]]) -> list[str]: def transform_to_list( - item: Union[Iterable[AnyT], AnyT] + item: Union[Iterable[AnyT], AnyT], ) -> Union[list[AnyT], tuple[AnyT, ...]]: """ Put `item` into a list if not a list already. @@ -130,7 +136,7 @@ def remove_dict_keys(d: ParamMap, keys: Container[str]) -> ParamDict: def cpu_count() -> int: """Count number of available CPU for the process. - + User suggestion, by https://github.com/EricDeveaud Note: pid 0 == current process @@ -142,9 +148,10 @@ def cpu_count() -> int: process_ncores : int Number of cores allocated to the process pid. """ + def _cpu_count() -> int: """Detect number of cores available. - + Returns ------- ncores : int @@ -159,7 +166,7 @@ def _cpu_count() -> int: ncores = int(_process_ncores) except AttributeError: # If unsucessful, return the number cores detected in the machine - # Note: this can happen on MacOS, where the os.sched_getaffinity + # Note: this can happen on MacOS, where the os.sched_getaffinity # may not be defined/exist. ncores = int(os.cpu_count()) return ncores @@ -422,3 +429,56 @@ def recursive_convert_paths_to_strings(params: ParamMapT) -> ParamMapT: params[param] = value return params + + +def get_cns_executable() -> tuple[Path, Path]: + """ + Locate CNS executable and its Linux variant for grid execution. + + Returns: + Tuple of (cns_exec, cns_exec_linux) paths + + Raises: + SystemExit: If CNS executable cannot be found + """ + # Try default location first + cns_exec = Path(files(haddock).joinpath("bin/cns")) # type: ignore + + if not cns_exec.exists(): + log.error("CNS executable not found at %s", cns_exec) + + # Fall back to environment variable + cns_exec_env = os.environ.get("CNS_EXEC") + if cns_exec_env is None: + log.error( + "Please define the CNS binary location by setting the CNS_EXEC " + "environment variable" + ) + sys.exit(1) + + cns_exec = Path(cns_exec_env) + if not cns_exec.exists(): + log.error("CNS executable not found at %s", cns_exec) + sys.exit(1) + + # Determine Linux-specific executable for grid usage + system = platform.system().lower() + machine = platform.machine().lower() + current_arch = f"{machine}-{system}" + + if current_arch == "x86_64-linux": + cns_exec_linux = cns_exec + else: + # Look for Linux binary variant + cns_exec_linux = cns_exec.with_name(f"{cns_exec.name}_linux") + + if not cns_exec_linux.exists(): + log.warning( + "Current architecture is %s, but grid execution requires " + "an x86_64-linux binary", + current_arch, + ) + log.warning("Linux CNS binary not found at %s", cns_exec_linux) + log.warning("GRID mode will not be available") + + return cns_exec, cns_exec_linux From c48c701cc486b03c33a1893afbd4410c07e42110 Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Fri, 10 Oct 2025 12:47:44 +0200 Subject: [PATCH 015/101] update import --- src/haddock/libs/libgrid.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/haddock/libs/libgrid.py b/src/haddock/libs/libgrid.py index 6f4bb09fd5..d0c302659c 100644 --- a/src/haddock/libs/libgrid.py +++ b/src/haddock/libs/libgrid.py @@ -17,7 +17,7 @@ from typing import Optional, Tuple, Union from haddock import log -from haddock.core.defaults import cns_exec as CNS_EXEC +from haddock.core.defaults import cns_exec_linux as CNS_EXEC from haddock.libs.libsubprocess import CNSJob from haddock.libs.libutil import parse_ncores From 7de5c8e854e9ebe8b26e2049573856ccb8625969 Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Fri, 10 Oct 2025 12:49:14 +0200 Subject: [PATCH 016/101] linting --- src/haddock/core/defaults.py | 1 - src/haddock/libs/libutil.py | 7 ++----- 2 files changed, 2 insertions(+), 6 deletions(-) diff --git a/src/haddock/core/defaults.py b/src/haddock/core/defaults.py index 8f73a5fe70..2a7f29e09e 100644 --- a/src/haddock/core/defaults.py +++ b/src/haddock/core/defaults.py @@ -9,7 +9,6 @@ from haddock import core_path from haddock.libs.libutil import get_cns_executable - cns_exec, cns_exec_linux = get_cns_executable() CONTACT_FCC_EXEC = Path(files("haddock").joinpath("bin/contact_fcc")) # type: ignore diff --git a/src/haddock/libs/libutil.py b/src/haddock/libs/libutil.py index a8349c7506..6d5a997bfd 100644 --- a/src/haddock/libs/libutil.py +++ b/src/haddock/libs/libutil.py @@ -3,18 +3,16 @@ import collections.abc import contextlib import os +import platform import re import shutil import subprocess import sys from copy import deepcopy from functools import partial -from pathlib import Path - from importlib.resources import files +from pathlib import Path - -import platform import haddock from haddock import EmptyPath, log from haddock.core.exceptions import SetupError @@ -36,7 +34,6 @@ ) from haddock.gear.greetings import get_goodbye_help - check_subprocess = partial( subprocess.run, shell=True, From d4c13d196c6b7f921c2316593a865bb889d3af33 Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Fri, 10 Oct 2025 13:08:32 +0200 Subject: [PATCH 017/101] add tests --- integration_tests/__init__.py | 12 ++++++- integration_tests/test_libutil.py | 57 +++++++++++++++++++++++++++++++ 2 files changed, 68 insertions(+), 1 deletion(-) create mode 100644 integration_tests/test_libutil.py diff --git a/integration_tests/__init__.py b/integration_tests/__init__.py index fb6345c537..8e1f4c1b54 100644 --- a/integration_tests/__init__.py +++ b/integration_tests/__init__.py @@ -1,9 +1,11 @@ import os +import platform from pathlib import Path -from haddock.libs.libgrid import ping_dirac import pytest +from haddock.libs.libgrid import ping_dirac + if "CNS_EXEC" in os.environ: CNS_EXEC = os.environ["CNS_EXEC"] else: @@ -29,3 +31,11 @@ has_mpi = pytest.mark.skipif(not MPI_ENABLED, reason="MPI is not enabled") has_grid = pytest.mark.skipif(not ping_dirac(), reason="Dirac not reachable") +is_linux_x86_64 = pytest.mark.skipif( + platform.system().lower() != "linux" or platform.machine().lower() != "x86_64", + reason="Only runs on x86_64 Linux systems", +) +is_not_linux_x86_64 = pytest.mark.skipif( + platform.system().lower() == "linux" and platform.machine().lower() == "x86_64", + reason="Only runs on non-x86_64-linux systems", +) diff --git a/integration_tests/test_libutil.py b/integration_tests/test_libutil.py new file mode 100644 index 0000000000..93b9ff453e --- /dev/null +++ b/integration_tests/test_libutil.py @@ -0,0 +1,57 @@ +from pathlib import Path + +import pytest + +from haddock.libs.libutil import get_cns_executable + +from . import is_linux_x86_64, is_not_linux_x86_64 + + +def test_finds_default_cns_executable(): + """Test that the function finds CNS in the default location.""" + cns_exec, cns_exec_linux = get_cns_executable() + + assert cns_exec.exists(), f"CNS executable not found at {cns_exec}" + assert isinstance(cns_exec, Path) + assert isinstance(cns_exec_linux, Path) + + +@is_linux_x86_64 +def test_cns_executable_is_the_same(): + """Test that the function finds CNS in the default location.""" + cns_exec, cns_exec_linux = get_cns_executable() + + assert cns_exec == cns_exec_linux + + +def test_cns_executable_is_file(): + """Test that the CNS executable is actually a file.""" + cns_exec, _ = get_cns_executable() + + assert cns_exec.is_file(), f"{cns_exec} is not a file" + + +@is_linux_x86_64 +def test_linux_x86_64_returns_same_executable(): + """On x86_64 Linux, both executables should be the same.""" + cns_exec, cns_exec_linux = get_cns_executable() + + assert cns_exec == cns_exec_linux + + +@is_not_linux_x86_64 +def test_non_linux_looks_for_linux_variant(): + """On non-Linux systems, should look for _linux variant.""" + cns_exec, cns_exec_linux = get_cns_executable() + + assert cns_exec != cns_exec_linux + assert cns_exec_linux.name == f"{cns_exec.name}_linux" + + +def test_returns_tuple_of_paths(): + """Test that function returns a tuple of two Path objects.""" + result = get_cns_executable() + + assert isinstance(result, tuple) + assert len(result) == 2 + assert all(isinstance(p, Path) for p in result) From fa5137375ddd9821b5c0133a6dd8f24e49bf3de4 Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Fri, 10 Oct 2025 13:09:34 +0200 Subject: [PATCH 018/101] duplicate --- integration_tests/test_libutil.py | 8 -------- 1 file changed, 8 deletions(-) diff --git a/integration_tests/test_libutil.py b/integration_tests/test_libutil.py index 93b9ff453e..086d54c085 100644 --- a/integration_tests/test_libutil.py +++ b/integration_tests/test_libutil.py @@ -16,14 +16,6 @@ def test_finds_default_cns_executable(): assert isinstance(cns_exec_linux, Path) -@is_linux_x86_64 -def test_cns_executable_is_the_same(): - """Test that the function finds CNS in the default location.""" - cns_exec, cns_exec_linux = get_cns_executable() - - assert cns_exec == cns_exec_linux - - def test_cns_executable_is_file(): """Test that the CNS executable is actually a file.""" cns_exec, _ = get_cns_executable() From 2a4759ca516068c0b9abaea852db4d264e59a4d4 Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Thu, 16 Oct 2025 11:12:02 +0200 Subject: [PATCH 019/101] update pyproject.toml --- pyproject.toml | 3 --- 1 file changed, 3 deletions(-) diff --git a/pyproject.toml b/pyproject.toml index 2dcdeadc40..1bf9c2158e 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -96,9 +96,6 @@ haddock3-re = "haddock.clis.cli_re:maincli" haddock3-restraints = "haddock.clis.cli_restraints:maincli" haddock-restraints = "haddock.clis.wrapper_haddock_restraints:main" -[tool.coverage.run] -source = ["haddock3"] - [tool.setuptools] packages = ["haddock"] package-dir = { "" = "src" } From 36bbf492cf428d2aa2307b924f942daf31ff3158 Mon Sep 17 00:00:00 2001 From: VGPReys Date: Fri, 17 Oct 2025 09:25:54 +0200 Subject: [PATCH 020/101] allow for chain selection in CNS scoring modules --- src/haddock/gear/haddockmodel.py | 81 ++++++- src/haddock/modules/scoring/__init__.py | 217 +++++++++++++----- .../modules/scoring/emscoring/__init__.py | 43 ++-- .../modules/scoring/emscoring/defaults.yaml | 19 ++ .../modules/scoring/mdscoring/__init__.py | 39 ++-- .../modules/scoring/mdscoring/defaults.yaml | 19 ++ 6 files changed, 310 insertions(+), 108 deletions(-) diff --git a/src/haddock/gear/haddockmodel.py b/src/haddock/gear/haddockmodel.py index 9e669d2a78..0902d860a7 100644 --- a/src/haddock/gear/haddockmodel.py +++ b/src/haddock/gear/haddockmodel.py @@ -1,6 +1,5 @@ """Represent an Haddock model.""" - from haddock.core.typing import FilePath @@ -9,6 +8,7 @@ class HaddockModel: def __init__(self, pdb_f: FilePath) -> None: self.energies = self._load_energies(pdb_f) + self.interface_energies = self._load_per_interface_energies(pdb_f) @staticmethod def _load_energies(pdb_f: FilePath) -> dict[str, float]: @@ -50,14 +50,75 @@ def _load_energies(pdb_f: FilePath) -> dict[str, float]: return energy_dic + @staticmethod + def _load_per_interface_energies( + pdb_f: FilePath, + ) -> dict[str, dict[str, float]]: + """Read a pdb file and parse per interface scores. + + Parameters + ---------- + pdb : PDBFile + A PDBFile object. + + Returns + ------- + interfaces_scores : dict[str, dict[str, float]] + Dictionary holding per interfaces scores. + """ + header = None + interfaces_scores: dict[str, dict[str, float]] = {} + with open(pdb_f, "r") as filin: + for _ in filin: + if _.startswith("REMARK Interface"): + s_ = _.strip().split()[2:] + # Extract header + if not header: + header = s_ + # Extract data + else: + chain1 = s_[header.index("Chain1")] + chain2 = s_[header.index("Chain2")] + haddockscore = float(s_[header.index("HADDOCKscore")]) + evdw = float(s_[header.index("Evdw")]) + eelec = float(s_[header.index("Eelec")]) + edesol = float(s_[header.index("Edesol")]) + bsa = float(s_[header.index("BSA")]) + # Combine chains together + chains_key = f"{chain1}_{chain2}" + # Hold data + interfaces_scores[chains_key] = { + "HADDOCKscore": haddockscore, + "vdw": evdw, + "elec": eelec, + "desolv": edesol, + "bsa": bsa, + } + return interfaces_scores + def calc_haddock_score(self, **weights: float) -> float: """Calculate the haddock score based on the weights and energies.""" - weighted_terms: list[float] = [] - for key, weight in weights.items(): - component_id = key.split('_')[1] - value = self.energies[component_id] - weighted_terms.append(value * weight) - - # the haddock score is simply the sum of the weighted terms - haddock_score = sum(weighted_terms) - return haddock_score + return self.calc_score(self.energies, **weights) + + @staticmethod + def calc_score(energies: dict[str, float], **weights: float) -> float: + """Compute sum of weighted energy terms. + + Parameters + ---------- + energies : dict[str, float] + Dict of energy values for each energy term + + Returns + ------- + weighted_score : float + Sum of weighted energy terms + """ + weighted_score: float = 0.0 + for weight_name, weight_value in weights.items(): + component_id = weight_name.split("_")[1] + try: + weighted_score += energies[component_id] * weight_value + except KeyError: + continue + return weighted_score diff --git a/src/haddock/modules/scoring/__init__.py b/src/haddock/modules/scoring/__init__.py index 9d4f3aa0e6..a6012f127c 100644 --- a/src/haddock/modules/scoring/__init__.py +++ b/src/haddock/modules/scoring/__init__.py @@ -2,8 +2,9 @@ import pandas as pd from haddock.core.typing import FilePath, Path, Any -from haddock.modules.base_cns_module import BaseCNSModule +from haddock.gear.haddockmodel import HaddockModel from haddock.modules import BaseHaddockModule, PDBFile +from haddock.modules.base_cns_module import BaseCNSModule class ScoringModule(BaseHaddockModule): @@ -27,20 +28,23 @@ def output( Should the data be sorted in ascending order, by default True """ # saves scoring data - sc_data = [] - for pdb in self.output_models: - sc_data.append([pdb.file_name, pdb.ori_name, pdb.md5, pdb.score]) + sc_data = [ + [pdb.file_name, pdb.ori_name, pdb.md5, pdb.score] + for pdb in self.output_models + ] # converts to pandas dataframe and sorts by score df_columns = ["structure", "original_name", "md5", "score"] df_sc = pd.DataFrame(sc_data, columns=df_columns) df_sc_sorted = df_sc.sort_values(by="score", ascending=ascending_sort) # writes to disk - df_sc_sorted.to_csv(output_fname, - sep=sep, - index=False, - na_rep="None", - float_format="%.3f") + df_sc_sorted.to_csv( + output_fname, + sep=sep, + index=False, + na_rep="None", + float_format="%.3f", + ) return @@ -50,6 +54,7 @@ class CNSScoringModule(BaseCNSModule, ScoringModule): def per_interface_output( self, output_fname: FilePath, + models: list[HaddockModel], sep: str = "\t", ascending_sort: bool = True, ) -> None: @@ -64,21 +69,26 @@ def per_interface_output( ascending_sort : bool, optional Should the data be sorted in ascending order, by default True """ + # Skip the analysis if not desired by the user + if not self.params["per_interface_scoring"]: + return + # Retrieve all interfaces data for all pdb set_interfaces: list[str] = [] pdb_interfaces_scores: dict[tuple[Any, Any, Any], dict[str, dict[str, float]]] = {} # noqa : E501 + # Loop over models to recover interfaces - for pdb in self.output_models: + for pdb, haddock_model in zip(self.output_models, models): # if the pdb does not exist, skip if not Path(pdb.file_name).exists(): continue - interfaces_scores = self.read_per_interface_scores(pdb) + # Make reverse interface checks + # Score A->B == Score B->A reversed_interfaces_scores = {} - # Hold list of interfaces - for interface, scores in interfaces_scores.items(): + for interface, scores in haddock_model.interface_energies.items(): # Check if reverse chain order present - split_inter = interface.split('_') + split_inter = interface.split("_") reverse_interface = f"{split_inter[1]}_{split_inter[0]}" if reverse_interface in set_interfaces: reversed_interfaces_scores[reverse_interface] = scores @@ -87,15 +97,15 @@ def per_interface_output( set_interfaces.append(interface) # Combine with reversed interface scores - interfaces_scores.update(reversed_interfaces_scores) + haddock_model.interface_energies.update(reversed_interfaces_scores) # Hold data pdbkey = (pdb.file_name, pdb.ori_name, pdb.md5) - pdb_interfaces_scores[pdbkey] = interfaces_scores - + pdb_interfaces_scores[pdbkey] = haddock_model.interface_energies + # Preset output file basename and extension output_file = Path(output_fname) output_bn = output_file.stem - ouput_ext = ''.join(output_file.suffixes) + ouput_ext = "".join(output_file.suffixes) # Write separated files for all interfaces for interface in set_interfaces: # Point data @@ -104,7 +114,7 @@ def per_interface_output( if interface not in interfaces_scores.keys(): continue interface_scores = interfaces_scores[interface] - score = interface_scores['HADDOCKscore'] + score = interface_scores["HADDOCKscore"] sc_data.append([pdbkey[0], pdbkey[1], pdbkey[2], score]) # Check that the list is not empty if len(sc_data) == 0: @@ -127,47 +137,148 @@ def per_interface_output( float_format="%.3f", ) return + + def update_pdb_scores( + self, + interface_combinations: list[str], + ) -> list[HaddockModel]: + """Update the score attributes in the output pdb files. + + Parameters + ---------- + interface_combinations : list[str] + Input list of chains to be considered. + Each list entry can be composed of multiple coma + separated chains, to be considered as one. + e.g.: + ["A", "B"] -> only consider the score interface between A and B + ["A,B", "C"] -> consider the interface scores between A,C and B,C + ["A", "B", "C"] -> consider interfaces between A,C and A,C and B,C + + Returns + ------- + output_haddock_models : list[HaddockModel] + List of HaddockModel for each input pdb, that contain the actual + scores loaded from the file. + """ + # Obtain list of user defined interfaces + desired_interfaces = self.build_interface_sets_combinations( + interface_combinations + ) + # Get the weights from the parameters + _weight_keys = ("w_vdw", "w_elec", "w_desolv", "w_air", "w_bsa") + weights = {e: self.params[e] for e in _weight_keys} + + # Check for generated output, fail it not all expected files are found + output_haddock_models: list[HaddockModel] = [] + for pdb in self.output_models: + if pdb.is_present(): + # Convert pdb file into a HaddockModel to read the scores + haddock_model = HaddockModel(pdb.file_name) + # Set the unweighted energy terms + pdb.unw_energies = haddock_model.energies + # Compute set of interfaces if some are defined + if len(desired_interfaces) >= 1: + haddock_score = self.compute_interfaces_score( + haddock_model.interface_energies, + desired_interfaces, + ) + # Otherwise simply compute the standard haddock score + else: + # Compute the haddock score + haddock_score = haddock_model.calc_haddock_score(**weights) + # Set the score attribute + pdb.score = haddock_score + output_haddock_models.append(haddock_model) + return output_haddock_models @staticmethod - def read_per_interface_scores(pdb: PDBFile) -> dict[str, dict[str, float]]: - """Read a pdb file and parse per interface scores. + def build_interface_sets_combinations( + interface_combinations: list[str] | None, + ) -> list[str]: + """Build desired combinatation of interfaces. Parameters ---------- - pdb : PDBFile - A PDBFile object. + interface_combinations : list[str] | None + Input list of chains to be considered. + Each list entry can be composed of multiple coma + separated chains, to be considered as one. + e.g.: + ["A", "B"] -> only consider the score interface between A and B + ["A,B", "C"] -> consider the interface scores between A,C and B,C + ["A", "B", "C"] -> consider interfaces between A,C and A,C and B,C Returns ------- + combinations : list[str] + Unpacked list of interface combinations to consider. + e.g.: + ["A", "B"] -> ["A_B"] + ["A,B", "C"] -> ["A_C", "B_C"] + ["A", "B", "C"] -> ["A_B", "A_C", "B_C"] + """ + combinations: list[str] = [] + # Check if scores must be updated + if interface_combinations is None: + return combinations + elif len(interface_combinations) < 2: + msg = ( + "Not able to perform scoring by chain combinations if number " + "of selected chains < 2 " + f"(current {len(interface_combinations)} " + f"-> {interface_combinations})" + ) + print(msg) + return combinations + + # Loop over selections + for j, chains_i in enumerate(interface_combinations[:-1], start=1): + # Second loop over selections (but not itself) + for chains_j in interface_combinations[j:]: + # Loop over chains in each selection + for chain_i in chains_i.split(","): + for chain_j in chains_j.split(","): + # Create a combination + # Strip the chains to make sure no spaces added by user + chain_comb = f"{chain_i.strip()}_{chain_j.strip()}" + combinations.append(chain_comb) + return combinations + + @staticmethod + def compute_interfaces_score( + interface_energies: dict[str, dict[str, float]], + interface_sets_combinations: list[str], + ) -> float | None: + """Compute the sum of selected interface haddock score. + + Parameters + ---------- interfaces_scores : dict[str, dict[str, float]] - Dictionary holding per interfaces scores. + Scores of the various interfaces present in the pdb. + interface_sets_combinations : list[str] + List of interface combinations to consider """ - header = None - interfaces_scores: dict[str, dict[str, float]] = {} - with open(pdb.file_name, 'r') as filin: - for _ in filin: - if _.startswith('REMARK Interface'): - s_ = _.strip().split()[2:] - # Extract header - if not header: - header = s_ - # Extract data - else: - chain1 = s_[header.index('Chain1')] - chain2 = s_[header.index('Chain2')] - haddockscore = float(s_[header.index('HADDOCKscore')]) - evdw = float(s_[header.index('Evdw')]) - eelec = float(s_[header.index('Eelec')]) - edesol = float(s_[header.index('Edesol')]) - bsa = float(s_[header.index('BSA')]) - # Combine chains together - chains_key = f"{chain1}_{chain2}" - # Hold data - interfaces_scores[chains_key] = { - 'HADDOCKscore': haddockscore, - 'Evdw': evdw, - 'Eelec': eelec, - 'Edesol': edesol, - 'BSA': bsa, - } - return interfaces_scores + # Minimum set of interfaces must be >= 1 + if len(interface_sets_combinations) < 1: + return None + + # Get all desired interfaces scores + selected_interfaces_scores: list[float] = [] + for interface in interface_sets_combinations: + if interface in interface_energies.keys(): + interface_score = interface_energies[interface]["HADDOCKscore"] + selected_interfaces_scores.append(interface_score) + else: + # Check if reverse chain order present + split_inter = interface.split("_") + reverse_interface = f"{split_inter[1]}_{split_inter[0]}" + if reverse_interface in interface_energies.keys(): + interface_score = interface_energies[reverse_interface]["HADDOCKscore"] + selected_interfaces_scores.append(interface_score) + # Sum all desired interfaces scores + if len(selected_interfaces_scores) > 1: + new_score = sum(selected_interfaces_scores) + else: + new_score = None + return new_score diff --git a/src/haddock/modules/scoring/emscoring/__init__.py b/src/haddock/modules/scoring/emscoring/__init__.py index a8cdfbf231..3dbf2bcea0 100644 --- a/src/haddock/modules/scoring/emscoring/__init__.py +++ b/src/haddock/modules/scoring/emscoring/__init__.py @@ -28,7 +28,7 @@ class HaddockModule(CNSScoringModule): def __init__( self, order: int, path: Path, initial_params: FilePath = DEFAULT_CONFIG ) -> None: - cns_script = Path(RECIPE_PATH, "cns", "emscoring.cns") + cns_script = Path(RECIPE_PATH, "cns", f"{self.name}.cns") super().__init__(order, path, initial_params, cns_script=cns_script) @classmethod @@ -46,6 +46,11 @@ def _run(self) -> None: except Exception as e: self.finish_with_error(e) + # Here we pop the parameter as not supported by CNS and only used + # at the python level for downstream analysis + interface_combinations = self.params.pop("interface_combinations") + + # Itereate over models to prepare CNS inputs self.output_models = [] for model_num, model in enumerate(models_to_score, start=1): scoring_input = prepare_cns_input( @@ -54,17 +59,17 @@ def _run(self) -> None: self.path, self.recipe_str, self.params, - "emscoring", + self.name, native_segid=True, debug=self.params["debug"], seed=model.seed if isinstance(model, PDBFile) else None, ) - scoring_out = f"emscoring_{model_num}.out" - err_fname = f"emscoring_{model_num}.cnserr" + scoring_out = f"{self.name}_{model_num}.out" + err_fname = f"{self.name}_{model_num}.cnserr" # create the expected PDBobject - expected_pdb = prepare_expected_pdb(model, model_num, ".", "emscoring") + expected_pdb = prepare_expected_pdb(model, model_num, ".", self.name) # fill the ori_name field of expected_pdb expected_pdb.ori_name = model.file_name expected_pdb.md5 = model.md5 @@ -83,25 +88,15 @@ def _run(self) -> None: engine.run() self.log("CNS jobs have finished") - # Get the weights from the defaults - _weight_keys = ("w_vdw", "w_elec", "w_desolv", "w_air", "w_bsa") - weights = {e: self.params[e] for e in _weight_keys} - - # Check for generated output, fail it not all expected files are found - for pdb in self.output_models: - if pdb.is_present(): - haddock_model = HaddockModel(pdb.file_name) - pdb.unw_energies = haddock_model.energies - - haddock_score = haddock_model.calc_haddock_score(**weights) - pdb.score = haddock_score - - output_fname = "emscoring.tsv" + # Update the score attributes for each output pdb + output_haddock_models = self.update_pdb_scores(interface_combinations) + + # Set output filename + output_fname = f"{self.name}.tsv" + # Process per-interface analysis + self.per_interface_output(output_fname, output_haddock_models) + # Generate output self.log(f"Saving output to {output_fname}") self.output(output_fname) + # Export models to next module self.export_io_models(faulty_tolerance=self.params["tolerance"]) - - if self.params["per_interface_scoring"]: - self.per_interface_output(output_fname) - - diff --git a/src/haddock/modules/scoring/emscoring/defaults.yaml b/src/haddock/modules/scoring/emscoring/defaults.yaml index a9cc28893a..66ec24a42e 100644 --- a/src/haddock/modules/scoring/emscoring/defaults.yaml +++ b/src/haddock/modules/scoring/emscoring/defaults.yaml @@ -9,6 +9,25 @@ per_interface_scoring: long: With this option true, the interface of all combinations of chains will be analysed and the corresponding HADDOCK scores (without restraints terms) and their components (Eelec, Evdw, Edesol, BSA) will be written to the header of each PDB file. group: 'scoring' explevel: expert +interface_combinations: + default: [] + type: list + minitems: 0 + maxitems: 20 + title: Chains to be scored. + short: List of chains to be scored. If empty/unspecified, all inter-chains + contacts will be considered for the final prediction. + long: List of chains to be scored. If empty/unspecified, all inter-chains + contacts will be considered for the final prediction. In specific cases, + for example antibody-antigen complexes, some chains should be considered + as a single molecule. Use the chains parameter to provide a list of chains + that should be considered for the calculation. Use commas to include + multiple chains as part of a single group. + ["A", "B"] => Contacts calculated (only) between chains A and B. + ["A,B", "C"] => Contacts calculated (only) between chains A and C; and B and C. + ["A", "B", "C"] => Contacts calculated (only) between chains A and B; B and C; and A and C. + group: scoring + explevel: expert w_air: default: 0.0 type: float diff --git a/src/haddock/modules/scoring/mdscoring/__init__.py b/src/haddock/modules/scoring/mdscoring/__init__.py index a0d45a7e81..396b771e8f 100644 --- a/src/haddock/modules/scoring/mdscoring/__init__.py +++ b/src/haddock/modules/scoring/mdscoring/__init__.py @@ -28,7 +28,7 @@ class HaddockModule(CNSScoringModule): def __init__( self, order: int, path: Path, initial_params: FilePath = DEFAULT_CONFIG ) -> None: - cns_script = Path(RECIPE_PATH, "cns", "mdscoring.cns") + cns_script = Path(RECIPE_PATH, "cns", f"{self.name}.cns") super().__init__(order, path, initial_params, cns_script=cns_script) @classmethod @@ -46,6 +46,11 @@ def _run(self) -> None: except Exception as e: self.finish_with_error(e) + # Here we pop the parameter as not supported by CNS and only used + # at the python level for downstream analysis + interface_combinations = self.params.pop("interface_combinations") + + # Prepare all CNS runs self.output_models = [] for model_num, model in enumerate(models_to_score, start=1): scoring_inpyt = prepare_cns_input( @@ -54,17 +59,17 @@ def _run(self) -> None: self.path, self.recipe_str, self.params, - "mdscoring", + self.name, native_segid=True, debug=self.params["debug"], seed=model.seed if isinstance(model, PDBFile) else None, ) - scoring_out = f"mdscoring_{model_num}.out" - err_fname = f"mdscoring_{model_num}.cnserr" + scoring_out = f"{self.name}_{model_num}.out" + err_fname = f"{self.name}_{model_num}.cnserr" # create the expected PDBobject - expected_pdb = prepare_expected_pdb(model, model_num, ".", "mdscoring") + expected_pdb = prepare_expected_pdb(model, model_num, ".", self.name) # fill the ori_name field of expected_pdb expected_pdb.ori_name = model.file_name expected_pdb.md5 = model.md5 @@ -83,23 +88,15 @@ def _run(self) -> None: engine.run() self.log("CNS jobs have finished") - # Get the weights from the defaults - _weight_keys = ("w_vdw", "w_elec", "w_desolv", "w_air", "w_bsa") - weights = {e: self.params[e] for e in _weight_keys} - - # Check for generated output, fail it not all expected files are found - for pdb in self.output_models: - if pdb.is_present(): - haddock_model = HaddockModel(pdb.file_name) - pdb.unw_energies = haddock_model.energies + # Update the score attributes for each output pdb + output_haddock_models = self.update_pdb_scores(interface_combinations) - haddock_score = haddock_model.calc_haddock_score(**weights) - pdb.score = haddock_score - - output_fname = "mdscoring.tsv" + # Set output filename + output_fname = f"{self.name}.tsv" + # Process per-interface analysis + self.per_interface_output(output_fname, output_haddock_models) + # Make final output file self.log(f"Saving output to {output_fname}") self.output(output_fname) + # Export models self.export_io_models(faulty_tolerance=self.params["tolerance"]) - - if self.params["per_interface_scoring"]: - self.per_interface_output(output_fname) diff --git a/src/haddock/modules/scoring/mdscoring/defaults.yaml b/src/haddock/modules/scoring/mdscoring/defaults.yaml index fca2c93b7c..7a9dd4411b 100644 --- a/src/haddock/modules/scoring/mdscoring/defaults.yaml +++ b/src/haddock/modules/scoring/mdscoring/defaults.yaml @@ -9,6 +9,25 @@ per_interface_scoring: long: With this option true, the interface of all combinations of chains will be analysed and the corresponding HADDOCK scores (without restraints terms) and their components (Eelec, Evdw, Edesol, BSA) will be written to the header of each PDB file. group: 'scoring' explevel: expert +interface_combinations: + default: [] + type: list + minitems: 0 + maxitems: 20 + title: Chains to be scored. + short: List of chains to be scored. If empty/unspecified, all inter-chains + contacts will be considered for the final prediction. + long: List of chains to be scored. If empty/unspecified, all inter-chains + contacts will be considered for the final prediction. In specific cases, + for example antibody-antigen complexes, some chains should be considered + as a single molecule. Use the chains parameter to provide a list of chains + that should be considered for the calculation. Use commas to include + multiple chains as part of a single group. + ["A", "B"] => Contacts calculated (only) between chains A and B. + ["A,B", "C"] => Contacts calculated (only) between chains A and C; and B and C. + ["A", "B", "C"] => Contacts calculated (only) between chains A and B; B and C; and A and C. + group: scoring + explevel: expert w_air: default: 0.0 type: float From c8b9213d0f5d5abb7239027ec85a160d89a82369 Mon Sep 17 00:00:00 2001 From: VGPReys Date: Wed, 22 Oct 2025 10:39:47 +0200 Subject: [PATCH 021/101] reduce reading of remarks --- src/haddock/gear/haddockmodel.py | 161 ++++++++++++++++++------------- 1 file changed, 96 insertions(+), 65 deletions(-) diff --git a/src/haddock/gear/haddockmodel.py b/src/haddock/gear/haddockmodel.py index 0902d860a7..8f02c38807 100644 --- a/src/haddock/gear/haddockmodel.py +++ b/src/haddock/gear/haddockmodel.py @@ -7,59 +7,91 @@ class HaddockModel: """Represent HADDOCK model.""" def __init__(self, pdb_f: FilePath) -> None: - self.energies = self._load_energies(pdb_f) - self.interface_energies = self._load_per_interface_energies(pdb_f) - + remarks = self._load_remarks(pdb_f) + self.energies = self._load_energies(remarks) + self.interface_energies = self._load_per_interface_energies(remarks) + @staticmethod - def _load_energies(pdb_f: FilePath) -> dict[str, float]: - energy_dic: dict[str, float] = {} + def _load_remarks(pdb_f: FilePath) -> list[str]: + """Load remark lines from PDB file + + Parameters + ---------- + pdb_f : FilePath + Path to a PDB file + + Returns + ------- + remarks : list[str] + List of PDB lines containing remarks. + """ + remarks: list[str] = [] with open(pdb_f) as fh: for line in fh.readlines(): if line.startswith('REMARK'): - # TODO: use regex to do this - if 'energies' in line: - energy_values = map( - float, - line.rstrip().split(':')[-1].split(',') - ) - total, bonds, angles, improper, dihe, vdw, elec, air, cdih, coup, rdcs, vean, dani, xpcs, rg = energy_values # noqa: E501 - energy_dic['total'] = total - energy_dic['bonds'] = bonds - energy_dic['angles'] = angles - energy_dic['improper'] = improper - energy_dic['dihe'] = dihe - energy_dic['vdw'] = vdw - energy_dic['elec'] = elec - energy_dic['air'] = air - energy_dic['cdih'] = cdih - energy_dic['coup'] = coup - energy_dic['rdcs'] = rdcs - energy_dic['vean'] = vean - energy_dic['dani'] = dani - energy_dic['xpcs'] = xpcs - energy_dic['rg'] = rg - if 'buried surface area' in line: - bsa = float(line.rstrip().split(':')[-1]) - energy_dic['bsa'] = bsa - if 'Desolvation energy' in line: - desolv = float(line.rstrip().split(':')[-1]) - energy_dic['desolv'] = desolv - if 'Symmetry energy' in line: - sym = float(line.rstrip().split(':')[-1]) - energy_dic['sym'] = sym + remarks.append(line) + return remarks + + @staticmethod + def _load_energies(remarks: list[str]) -> dict[str, float]: + """Load HADDOCK energy terms from PDB remarks. + + Parameters + ---------- + remarks : list[str] + List of PDB lines containing remarks. + + Returns + ------- + energy_dic : dict[str, float] + Dictionary of energy terms with their values + """ + energy_dic: dict[str, float] = {} + for line in remarks: + # TODO: use regex to do this + if 'energies' in line: + energy_values = map( + float, + line.rstrip().split(':')[-1].split(',') + ) + total, bonds, angles, improper, dihe, vdw, elec, air, cdih, coup, rdcs, vean, dani, xpcs, rg = energy_values # noqa: E501 + energy_dic['total'] = total + energy_dic['bonds'] = bonds + energy_dic['angles'] = angles + energy_dic['improper'] = improper + energy_dic['dihe'] = dihe + energy_dic['vdw'] = vdw + energy_dic['elec'] = elec + energy_dic['air'] = air + energy_dic['cdih'] = cdih + energy_dic['coup'] = coup + energy_dic['rdcs'] = rdcs + energy_dic['vean'] = vean + energy_dic['dani'] = dani + energy_dic['xpcs'] = xpcs + energy_dic['rg'] = rg + if 'buried surface area' in line: + bsa = float(line.rstrip().split(':')[-1]) + energy_dic['bsa'] = bsa + if 'Desolvation energy' in line: + desolv = float(line.rstrip().split(':')[-1]) + energy_dic['desolv'] = desolv + if 'Symmetry energy' in line: + sym = float(line.rstrip().split(':')[-1]) + energy_dic['sym'] = sym return energy_dic @staticmethod def _load_per_interface_energies( - pdb_f: FilePath, + remarks: list[str], ) -> dict[str, dict[str, float]]: """Read a pdb file and parse per interface scores. Parameters ---------- - pdb : PDBFile - A PDBFile object. + remarks : list[str] + List of PDB lines containing remarks. Returns ------- @@ -68,32 +100,31 @@ def _load_per_interface_energies( """ header = None interfaces_scores: dict[str, dict[str, float]] = {} - with open(pdb_f, "r") as filin: - for _ in filin: - if _.startswith("REMARK Interface"): - s_ = _.strip().split()[2:] - # Extract header - if not header: - header = s_ - # Extract data - else: - chain1 = s_[header.index("Chain1")] - chain2 = s_[header.index("Chain2")] - haddockscore = float(s_[header.index("HADDOCKscore")]) - evdw = float(s_[header.index("Evdw")]) - eelec = float(s_[header.index("Eelec")]) - edesol = float(s_[header.index("Edesol")]) - bsa = float(s_[header.index("BSA")]) - # Combine chains together - chains_key = f"{chain1}_{chain2}" - # Hold data - interfaces_scores[chains_key] = { - "HADDOCKscore": haddockscore, - "vdw": evdw, - "elec": eelec, - "desolv": edesol, - "bsa": bsa, - } + for _ in remarks: + if _.startswith("REMARK Interface"): + s_ = _.strip().split()[2:] + # Extract header + if not header: + header = s_ + # Extract data + else: + chain1 = s_[header.index("Chain1")] + chain2 = s_[header.index("Chain2")] + haddockscore = float(s_[header.index("HADDOCKscore")]) + evdw = float(s_[header.index("Evdw")]) + eelec = float(s_[header.index("Eelec")]) + edesol = float(s_[header.index("Edesol")]) + bsa = float(s_[header.index("BSA")]) + # Combine chains together + chains_key = f"{chain1}_{chain2}" + # Hold data + interfaces_scores[chains_key] = { + "HADDOCKscore": haddockscore, + "vdw": evdw, + "elec": eelec, + "desolv": edesol, + "bsa": bsa, + } return interfaces_scores def calc_haddock_score(self, **weights: float) -> float: From 15dcb88c9bc61aad0ee5493e5f87d6b5dea8da73 Mon Sep 17 00:00:00 2001 From: VGPReys Date: Wed, 22 Oct 2025 10:40:24 +0200 Subject: [PATCH 022/101] modify parameter behavior --- src/haddock/modules/scoring/__init__.py | 59 +++++-------------- .../modules/scoring/emscoring/defaults.yaml | 18 +++--- .../modules/scoring/mdscoring/defaults.yaml | 18 +++--- 3 files changed, 34 insertions(+), 61 deletions(-) diff --git a/src/haddock/modules/scoring/__init__.py b/src/haddock/modules/scoring/__init__.py index a6012f127c..20d0d0d0a7 100644 --- a/src/haddock/modules/scoring/__init__.py +++ b/src/haddock/modules/scoring/__init__.py @@ -1,9 +1,9 @@ """HADDOCK3 modules to score models.""" import pandas as pd -from haddock.core.typing import FilePath, Path, Any +from haddock.core.typing import FilePath, Optional, Path, Any from haddock.gear.haddockmodel import HaddockModel -from haddock.modules import BaseHaddockModule, PDBFile +from haddock.modules import BaseHaddockModule from haddock.modules.base_cns_module import BaseCNSModule @@ -148,12 +148,10 @@ def update_pdb_scores( ---------- interface_combinations : list[str] Input list of chains to be considered. - Each list entry can be composed of multiple coma - separated chains, to be considered as one. + Each list entry must be composed of two chains separated by coma. e.g.: - ["A", "B"] -> only consider the score interface between A and B - ["A,B", "C"] -> consider the interface scores between A,C and B,C - ["A", "B", "C"] -> consider interfaces between A,C and A,C and B,C + [] -> Consider all non-redundant chain pairs + ["A,H", "A,L"] -> Consider only the interface scores between A,H and A,L Returns ------- @@ -194,7 +192,7 @@ def update_pdb_scores( @staticmethod def build_interface_sets_combinations( - interface_combinations: list[str] | None, + interface_combinations: list[str], ) -> list[str]: """Build desired combinatation of interfaces. @@ -202,54 +200,29 @@ def build_interface_sets_combinations( ---------- interface_combinations : list[str] | None Input list of chains to be considered. - Each list entry can be composed of multiple coma - separated chains, to be considered as one. + Each list entry must be composed of two chains separated by coma. e.g.: - ["A", "B"] -> only consider the score interface between A and B - ["A,B", "C"] -> consider the interface scores between A,C and B,C - ["A", "B", "C"] -> consider interfaces between A,C and A,C and B,C + [] -> Consider all non-redundant chain pairs + ["A,H", "A,L"] -> Consider only the interface scores between A,H and A,L Returns ------- combinations : list[str] Unpacked list of interface combinations to consider. - e.g.: - ["A", "B"] -> ["A_B"] - ["A,B", "C"] -> ["A_C", "B_C"] - ["A", "B", "C"] -> ["A_B", "A_C", "B_C"] + ["A,H", "A,L"] -> ["A_H", "A_L"] """ - combinations: list[str] = [] - # Check if scores must be updated - if interface_combinations is None: - return combinations - elif len(interface_combinations) < 2: - msg = ( - "Not able to perform scoring by chain combinations if number " - "of selected chains < 2 " - f"(current {len(interface_combinations)} " - f"-> {interface_combinations})" - ) - print(msg) - return combinations - - # Loop over selections - for j, chains_i in enumerate(interface_combinations[:-1], start=1): - # Second loop over selections (but not itself) - for chains_j in interface_combinations[j:]: - # Loop over chains in each selection - for chain_i in chains_i.split(","): - for chain_j in chains_j.split(","): - # Create a combination - # Strip the chains to make sure no spaces added by user - chain_comb = f"{chain_i.strip()}_{chain_j.strip()}" - combinations.append(chain_comb) + combinations: list[str] = [ + "_".join([c.strip() for c in chains.split(",")]) + for chains in interface_combinations + if chains.count(",") == 1 # ensures input only contains pairs + ] return combinations @staticmethod def compute_interfaces_score( interface_energies: dict[str, dict[str, float]], interface_sets_combinations: list[str], - ) -> float | None: + ) -> Optional[float]: """Compute the sum of selected interface haddock score. Parameters diff --git a/src/haddock/modules/scoring/emscoring/defaults.yaml b/src/haddock/modules/scoring/emscoring/defaults.yaml index 66ec24a42e..58227eb820 100644 --- a/src/haddock/modules/scoring/emscoring/defaults.yaml +++ b/src/haddock/modules/scoring/emscoring/defaults.yaml @@ -15,18 +15,18 @@ interface_combinations: minitems: 0 maxitems: 20 title: Chains to be scored. - short: List of chains to be scored. If empty/unspecified, all inter-chains - contacts will be considered for the final prediction. + short: List of chains to be scored. Use this parameter to provide a list of + chain pairs (coma separated) that should be considered for the calculation. + If empty/unspecified, all inter-chains contacts will be considered + for the final prediction. long: List of chains to be scored. If empty/unspecified, all inter-chains contacts will be considered for the final prediction. In specific cases, for example antibody-antigen complexes, some chains should be considered - as a single molecule. Use the chains parameter to provide a list of chains - that should be considered for the calculation. Use commas to include - multiple chains as part of a single group. - ["A", "B"] => Contacts calculated (only) between chains A and B. - ["A,B", "C"] => Contacts calculated (only) between chains A and C; and B and C. - ["A", "B", "C"] => Contacts calculated (only) between chains A and B; B and C; and A and C. - group: scoring + as a single molecule. Use this parameter to provide a list of chain pairs + (separated by coma) that should be considered for the calculation. + [] => Compute all interface scores + ["A,H", "A,L"] => Compute sum of per-interface scores between chains A and H; A and L + group: 'scoring' explevel: expert w_air: default: 0.0 diff --git a/src/haddock/modules/scoring/mdscoring/defaults.yaml b/src/haddock/modules/scoring/mdscoring/defaults.yaml index 7a9dd4411b..ed3bfa9df7 100644 --- a/src/haddock/modules/scoring/mdscoring/defaults.yaml +++ b/src/haddock/modules/scoring/mdscoring/defaults.yaml @@ -15,18 +15,18 @@ interface_combinations: minitems: 0 maxitems: 20 title: Chains to be scored. - short: List of chains to be scored. If empty/unspecified, all inter-chains - contacts will be considered for the final prediction. + short: List of chains to be scored. Use this parameter to provide a list of + chain pairs (coma separated) that should be considered for the calculation. + If empty/unspecified, all inter-chains contacts will be considered + for the final prediction. long: List of chains to be scored. If empty/unspecified, all inter-chains contacts will be considered for the final prediction. In specific cases, for example antibody-antigen complexes, some chains should be considered - as a single molecule. Use the chains parameter to provide a list of chains - that should be considered for the calculation. Use commas to include - multiple chains as part of a single group. - ["A", "B"] => Contacts calculated (only) between chains A and B. - ["A,B", "C"] => Contacts calculated (only) between chains A and C; and B and C. - ["A", "B", "C"] => Contacts calculated (only) between chains A and B; B and C; and A and C. - group: scoring + as a single molecule. Use this parameter to provide a list of chain pairs + (separated by coma) that should be considered for the calculation. + [] => Compute all interface scores + ["A,H", "A,L"] => Compute sum of per-interface scores between chains A and H; A and L + group: 'scoring' explevel: expert w_air: default: 0.0 From e420e1439cd2ef6c295f6c3b7cddad00c0d21b11 Mon Sep 17 00:00:00 2001 From: VGPReys Date: Wed, 22 Oct 2025 10:46:58 +0200 Subject: [PATCH 023/101] update changelog --- CHANGELOG.md | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 369d54a08f..1fff0f9adf 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,5 +1,6 @@ # Changelog +- 2025-10-22: Allow the definition of chain combinations to be used for scoring - Issue #1414 - 2025-09-11: Added `grid` mode - 2025-09-11: Corrected antibody-antigen notebook - Issue #1383 - 2025-09-09: Removes undesired directory created when running the uni-tests - Issue #1380 From 9137570e22e29c15022faaef28c89d9a803bf755 Mon Sep 17 00:00:00 2001 From: VGPReys Date: Wed, 22 Oct 2025 14:10:00 +0200 Subject: [PATCH 024/101] adding integration tests --- integration_tests/golden_data/ab_ag_BHL.pdb | 3636 +++ integration_tests/golden_data/ab_ag_BHL.psf | 27679 ++++++++++++++++++ integration_tests/test_emscoring.py | 59 +- integration_tests/test_mdscoring.py | 59 + tests/test_module_emscoring.py | 1 - 5 files changed, 31432 insertions(+), 2 deletions(-) create mode 100644 integration_tests/golden_data/ab_ag_BHL.pdb create mode 100644 integration_tests/golden_data/ab_ag_BHL.psf diff --git a/integration_tests/golden_data/ab_ag_BHL.pdb b/integration_tests/golden_data/ab_ag_BHL.pdb new file mode 100644 index 0000000000..7ad1d68f6a --- /dev/null +++ b/integration_tests/golden_data/ab_ag_BHL.pdb @@ -0,0 +1,3636 @@ +REMARK FILENAME="ab_ag_BHL_haddock.pdb" +REMARK disulphide added: from H 143 to H 208 +REMARK disulphide added: from L 22 to L 97 +REMARK DATE:22-Oct-2025 13:55:40 created by user: unknown +REMARK VERSION:1.3U +ATOM 1 N VAL B 1 21.263 33.271 -18.375 1.00 15.00 B N +ATOM 2 HN VAL B 1 21.874 33.750 -18.974 1.00 15.00 B H +ATOM 3 CA VAL B 1 20.476 32.146 -18.902 1.00 15.00 B C +ATOM 4 CB VAL B 1 19.054 32.084 -18.246 1.00 15.00 B C +ATOM 5 CG1 VAL B 1 18.238 33.350 -18.503 1.00 15.00 B C +ATOM 6 CG2 VAL B 1 18.279 30.832 -18.655 1.00 15.00 B C +ATOM 7 C VAL B 1 20.461 32.161 -20.451 1.00 15.00 B C +ATOM 8 O VAL B 1 20.347 33.235 -21.047 1.00 15.00 B O +ATOM 9 N ARG B 2 20.651 30.982 -21.080 1.00 15.00 B N +ATOM 10 HN ARG B 2 20.779 30.182 -20.529 1.00 15.00 B H +ATOM 11 CA ARG B 2 20.678 30.824 -22.539 1.00 15.00 B C +ATOM 12 CB ARG B 2 21.160 29.415 -22.936 1.00 15.00 B C +ATOM 13 CG ARG B 2 22.620 29.124 -22.592 1.00 15.00 B C +ATOM 14 CD ARG B 2 23.069 27.752 -23.069 1.00 15.00 B C +ATOM 15 NE ARG B 2 22.512 26.663 -22.261 1.00 15.00 B N +ATOM 16 HE ARG B 2 22.889 26.532 -21.366 1.00 15.00 B H +ATOM 17 CZ ARG B 2 21.538 25.850 -22.660 1.00 15.00 B C +ATOM 18 NH1 ARG B 2 21.000 25.988 -23.866 1.00 15.00 B N +ATOM 19 HH11 ARG B 2 20.239 25.349 -24.172 1.00 15.00 B H +ATOM 20 HH12 ARG B 2 21.340 26.735 -24.505 1.00 15.00 B H +ATOM 21 NH2 ARG B 2 21.097 24.892 -21.857 1.00 15.00 B N +ATOM 22 HH21 ARG B 2 20.335 24.258 -22.173 1.00 15.00 B H +ATOM 23 HH22 ARG B 2 21.513 24.774 -20.911 1.00 15.00 B H +ATOM 24 C ARG B 2 19.296 31.098 -23.125 1.00 15.00 B C +ATOM 25 O ARG B 2 18.320 30.475 -22.703 1.00 15.00 B O +ATOM 26 N SER B 3 19.208 32.057 -24.065 1.00 15.00 B N +ATOM 27 HN SER B 3 20.025 32.527 -24.333 1.00 15.00 B H +ATOM 28 CA SER B 3 17.945 32.430 -24.706 1.00 15.00 B C +ATOM 29 CB SER B 3 17.254 33.556 -23.937 1.00 15.00 B C +ATOM 30 OG SER B 3 17.898 34.805 -24.139 1.00 15.00 B O +ATOM 31 HG SER B 3 18.253 34.842 -25.030 1.00 15.00 B H +ATOM 32 C SER B 3 18.102 32.795 -26.186 1.00 15.00 B C +ATOM 33 O SER B 3 19.213 33.060 -26.646 1.00 15.00 B O +ATOM 34 N LEU B 4 16.981 32.809 -26.921 1.00 15.00 B N +ATOM 35 HN LEU B 4 16.141 32.569 -26.478 1.00 15.00 B H +ATOM 36 CA LEU B 4 16.928 33.157 -28.334 1.00 15.00 B C +ATOM 37 CB LEU B 4 17.133 31.935 -29.254 1.00 15.00 B C +ATOM 38 CG LEU B 4 16.217 30.717 -29.093 1.00 15.00 B C +ATOM 39 CD1 LEU B 4 14.977 30.831 -29.980 1.00 15.00 B C +ATOM 40 CD2 LEU B 4 16.959 29.451 -29.476 1.00 15.00 B C +ATOM 41 C LEU B 4 15.665 33.926 -28.689 1.00 15.00 B C +ATOM 42 O LEU B 4 14.611 33.698 -28.087 1.00 15.00 B O +ATOM 43 N ASN B 5 15.781 34.842 -29.661 1.00 15.00 B N +ATOM 44 HN ASN B 5 16.657 34.968 -30.081 1.00 15.00 B H +ATOM 45 CA ASN B 5 14.666 35.661 -30.124 1.00 15.00 B C +ATOM 46 CB ASN B 5 15.111 37.101 -30.380 1.00 15.00 B C +ATOM 47 CG ASN B 5 15.659 37.786 -29.147 1.00 15.00 B C +ATOM 48 OD1 ASN B 5 15.320 37.454 -28.008 1.00 15.00 B O +ATOM 49 ND2 ASN B 5 16.502 38.783 -29.349 1.00 15.00 B N +ATOM 50 HD21 ASN B 5 16.724 39.022 -30.273 1.00 15.00 B H +ATOM 51 HD22 ASN B 5 16.871 39.243 -28.566 1.00 15.00 B H +ATOM 52 C ASN B 5 14.044 35.013 -31.348 1.00 15.00 B C +ATOM 53 O ASN B 5 14.758 34.670 -32.290 1.00 15.00 B O +ATOM 54 N CYS B 6 12.716 34.806 -31.317 1.00 15.00 B N +ATOM 55 HN CYS B 6 12.200 35.129 -30.549 1.00 15.00 B H +ATOM 56 CA CYS B 6 12.023 34.113 -32.397 1.00 15.00 B C +ATOM 57 CB CYS B 6 12.136 32.605 -32.181 1.00 15.00 B C +ATOM 58 SG CYS B 6 11.191 31.994 -30.752 1.00 15.00 B S +ATOM 59 HG CYS B 6 10.146 31.320 -31.210 1.00 15.00 B H +ATOM 60 C CYS B 6 10.566 34.517 -32.531 1.00 15.00 B C +ATOM 61 O CYS B 6 9.976 35.055 -31.597 1.00 15.00 B O +ATOM 62 N THR B 7 9.965 34.167 -33.675 1.00 15.00 B N +ATOM 63 HN THR B 7 10.512 33.792 -34.396 1.00 15.00 B H +ATOM 64 CA THR B 7 8.532 34.320 -33.894 1.00 15.00 B C +ATOM 65 CB THR B 7 8.220 35.182 -35.134 1.00 15.00 B C +ATOM 66 OG1 THR B 7 8.860 34.636 -36.289 1.00 15.00 B O +ATOM 67 HG1 THR B 7 8.692 35.202 -37.046 1.00 15.00 B H +ATOM 68 CG2 THR B 7 8.610 36.644 -34.952 1.00 15.00 B C +ATOM 69 C THR B 7 7.967 32.896 -33.989 1.00 15.00 B C +ATOM 70 O THR B 7 8.720 31.949 -34.232 1.00 15.00 B O +ATOM 71 N LEU B 8 6.661 32.739 -33.759 1.00 15.00 B N +ATOM 72 HN LEU B 8 6.128 33.521 -33.504 1.00 15.00 B H +ATOM 73 CA LEU B 8 5.999 31.441 -33.874 1.00 15.00 B C +ATOM 74 CB LEU B 8 5.571 30.872 -32.500 1.00 15.00 B C +ATOM 75 CG LEU B 8 6.670 30.598 -31.448 1.00 15.00 B C +ATOM 76 CD1 LEU B 8 6.049 30.384 -30.073 1.00 15.00 B C +ATOM 77 CD2 LEU B 8 7.540 29.404 -31.840 1.00 15.00 B C +ATOM 78 C LEU B 8 4.790 31.569 -34.766 1.00 15.00 B C +ATOM 79 O LEU B 8 4.036 32.541 -34.668 1.00 15.00 B O +ATOM 80 N ARG B 9 4.609 30.597 -35.654 1.00 15.00 B N +ATOM 81 HN ARG B 9 5.278 29.884 -35.723 1.00 15.00 B H +ATOM 82 CA ARG B 9 3.442 30.560 -36.530 1.00 15.00 B C +ATOM 83 CB ARG B 9 3.807 30.874 -37.989 1.00 15.00 B C +ATOM 84 CG ARG B 9 3.978 32.373 -38.220 1.00 15.00 B C +ATOM 85 CD ARG B 9 3.857 32.777 -39.682 1.00 15.00 B C +ATOM 86 NE ARG B 9 5.043 32.412 -40.458 1.00 15.00 B N +ATOM 87 HE ARG B 9 5.044 31.529 -40.884 1.00 15.00 B H +ATOM 88 CZ ARG B 9 6.108 33.191 -40.622 1.00 15.00 B C +ATOM 89 NH1 ARG B 9 6.152 34.396 -40.065 1.00 15.00 B N +ATOM 90 HH11 ARG B 9 6.988 35.000 -40.198 1.00 15.00 B H +ATOM 91 HH12 ARG B 9 5.350 34.736 -39.496 1.00 15.00 B H +ATOM 92 NH2 ARG B 9 7.140 32.770 -41.338 1.00 15.00 B N +ATOM 93 HH21 ARG B 9 7.119 31.826 -41.775 1.00 15.00 B H +ATOM 94 HH22 ARG B 9 7.971 33.383 -41.463 1.00 15.00 B H +ATOM 95 C ARG B 9 2.817 29.200 -36.369 1.00 15.00 B C +ATOM 96 O ARG B 9 3.550 28.230 -36.195 1.00 15.00 B O +ATOM 97 N ASP B 10 1.477 29.115 -36.350 1.00 15.00 B N +ATOM 98 HN ASP B 10 0.928 29.920 -36.453 1.00 15.00 B H +ATOM 99 CA ASP B 10 0.844 27.803 -36.174 1.00 15.00 B C +ATOM 100 CB ASP B 10 -0.586 27.916 -35.598 1.00 15.00 B C +ATOM 101 CG ASP B 10 -1.705 28.389 -36.517 1.00 15.00 B C +ATOM 102 OD1 ASP B 10 -1.493 28.440 -37.743 1.00 15.00 B O +ATOM 103 OD2 ASP B 10 -2.813 28.655 -36.009 1.00 15.00 B O +ATOM 104 C ASP B 10 0.920 26.966 -37.461 1.00 15.00 B C +ATOM 105 O ASP B 10 1.389 27.462 -38.491 1.00 15.00 B O +ATOM 106 N SER B 11 0.461 25.703 -37.389 1.00 15.00 B N +ATOM 107 HN SER B 11 0.119 25.405 -36.520 1.00 15.00 B H +ATOM 108 CA SER B 11 0.424 24.732 -38.483 1.00 15.00 B C +ATOM 109 CB SER B 11 -0.331 23.478 -38.045 1.00 15.00 B C +ATOM 110 OG SER B 11 0.501 22.333 -38.090 1.00 15.00 B O +ATOM 111 HG SER B 11 0.635 21.999 -37.200 1.00 15.00 B H +ATOM 112 C SER B 11 -0.227 25.296 -39.745 1.00 15.00 B C +ATOM 113 O SER B 11 0.239 25.013 -40.849 1.00 15.00 B O +ATOM 114 N GLN B 12 -1.293 26.102 -39.574 1.00 15.00 B N +ATOM 115 HN GLN B 12 -1.578 26.303 -38.658 1.00 15.00 B H +ATOM 116 CA GLN B 12 -2.048 26.693 -40.675 1.00 15.00 B C +ATOM 117 CB GLN B 12 -3.548 26.725 -40.338 1.00 15.00 B C +ATOM 118 CG GLN B 12 -4.216 25.387 -40.657 1.00 15.00 B C +ATOM 119 CD GLN B 12 -5.653 25.285 -40.214 1.00 15.00 B C +ATOM 120 OE1 GLN B 12 -6.009 24.427 -39.404 1.00 15.00 B O +ATOM 121 NE2 GLN B 12 -6.527 26.099 -40.789 1.00 15.00 B N +ATOM 122 HE21 GLN B 12 -6.200 26.724 -41.470 1.00 15.00 B H +ATOM 123 HE22 GLN B 12 -7.465 26.043 -40.510 1.00 15.00 B H +ATOM 124 C GLN B 12 -1.507 28.069 -41.118 1.00 15.00 B C +ATOM 125 O GLN B 12 -2.145 28.747 -41.927 1.00 15.00 B O +ATOM 126 N GLN B 13 -0.295 28.430 -40.636 1.00 15.00 B N +ATOM 127 HN GLN B 13 0.118 27.798 -40.011 1.00 15.00 B H +ATOM 128 CA GLN B 13 0.487 29.644 -40.924 1.00 15.00 B C +ATOM 129 CB GLN B 13 0.755 29.815 -42.439 1.00 15.00 B C +ATOM 130 CG GLN B 13 1.744 28.792 -42.998 1.00 15.00 B C +ATOM 131 CD GLN B 13 3.186 29.244 -42.930 1.00 15.00 B C +ATOM 132 OE1 GLN B 13 3.716 29.618 -41.872 1.00 15.00 B O +ATOM 133 NE2 GLN B 13 3.870 29.175 -44.065 1.00 15.00 B N +ATOM 134 HE21 GLN B 13 3.410 28.842 -44.863 1.00 15.00 B H +ATOM 135 HE22 GLN B 13 4.808 29.460 -44.058 1.00 15.00 B H +ATOM 136 C GLN B 13 -0.095 30.927 -40.312 1.00 15.00 B C +ATOM 137 O GLN B 13 0.226 32.025 -40.782 1.00 15.00 B O +ATOM 138 N LYS B 14 -0.899 30.804 -39.238 1.00 15.00 B N +ATOM 139 HN LYS B 14 -1.128 29.913 -38.900 1.00 15.00 B H +ATOM 140 CA LYS B 14 -1.432 31.994 -38.573 1.00 15.00 B C +ATOM 141 CB LYS B 14 -2.684 31.681 -37.739 1.00 15.00 B C +ATOM 142 CG LYS B 14 -3.898 31.265 -38.572 1.00 15.00 B C +ATOM 143 CD LYS B 14 -5.237 31.516 -37.856 1.00 15.00 B C +ATOM 144 CE LYS B 14 -5.438 30.708 -36.590 1.00 15.00 B C +ATOM 145 NZ LYS B 14 -5.431 29.247 -36.860 1.00 15.00 B N +ATOM 146 HZ1 LYS B 14 -5.571 28.719 -35.975 1.00 15.00 B H +ATOM 147 HZ2 LYS B 14 -4.522 28.965 -37.279 1.00 15.00 B H +ATOM 148 HZ3 LYS B 14 -6.195 29.002 -37.522 1.00 15.00 B H +ATOM 149 C LYS B 14 -0.358 32.581 -37.677 1.00 15.00 B C +ATOM 150 O LYS B 14 0.396 31.837 -37.048 1.00 15.00 B O +ATOM 151 N SER B 15 -0.277 33.912 -37.629 1.00 15.00 B N +ATOM 152 HN SER B 15 -0.891 34.443 -38.178 1.00 15.00 B H +ATOM 153 CA SER B 15 0.690 34.604 -36.791 1.00 15.00 B C +ATOM 154 CB SER B 15 1.114 35.913 -37.448 1.00 15.00 B C +ATOM 155 OG SER B 15 1.750 35.659 -38.687 1.00 15.00 B O +ATOM 156 HG SER B 15 2.600 36.105 -38.708 1.00 15.00 B H +ATOM 157 C SER B 15 0.076 34.886 -35.431 1.00 15.00 B C +ATOM 158 O SER B 15 -1.147 34.904 -35.308 1.00 15.00 B O +ATOM 159 N LEU B 16 0.926 35.123 -34.421 1.00 15.00 B N +ATOM 160 HN LEU B 16 1.887 35.069 -34.604 1.00 15.00 B H +ATOM 161 CA LEU B 16 0.502 35.456 -33.065 1.00 15.00 B C +ATOM 162 CB LEU B 16 1.254 34.610 -32.018 1.00 15.00 B C +ATOM 163 CG LEU B 16 1.380 33.088 -32.264 1.00 15.00 B C +ATOM 164 CD1 LEU B 16 2.061 32.411 -31.079 1.00 15.00 B C +ATOM 165 CD2 LEU B 16 0.012 32.435 -32.532 1.00 15.00 B C +ATOM 166 C LEU B 16 0.765 36.943 -32.846 1.00 15.00 B C +ATOM 167 O LEU B 16 1.863 37.411 -33.140 1.00 15.00 B O +ATOM 168 N VAL B 17 -0.254 37.688 -32.366 1.00 15.00 B N +ATOM 169 HN VAL B 17 -1.101 37.233 -32.174 1.00 15.00 B H +ATOM 170 CA VAL B 17 -0.182 39.138 -32.110 1.00 15.00 B C +ATOM 171 CB VAL B 17 -0.991 39.980 -33.140 1.00 15.00 B C +ATOM 172 CG1 VAL B 17 -0.520 39.729 -34.572 1.00 15.00 B C +ATOM 173 CG2 VAL B 17 -2.494 39.740 -33.005 1.00 15.00 B C +ATOM 174 C VAL B 17 -0.613 39.466 -30.671 1.00 15.00 B C +ATOM 175 O VAL B 17 -1.317 38.666 -30.060 1.00 15.00 B O +ATOM 176 N MET B 18 -0.213 40.642 -30.149 1.00 15.00 B N +ATOM 177 HN MET B 18 0.373 41.214 -30.688 1.00 15.00 B H +ATOM 178 CA MET B 18 -0.608 41.110 -28.819 1.00 15.00 B C +ATOM 179 CB MET B 18 0.485 41.988 -28.183 1.00 15.00 B C +ATOM 180 CG MET B 18 1.396 41.259 -27.209 1.00 15.00 B C +ATOM 181 SD MET B 18 1.563 42.019 -25.556 1.00 15.00 B S +ATOM 182 CE MET B 18 1.718 43.742 -25.963 1.00 15.00 B C +ATOM 183 C MET B 18 -1.905 41.907 -29.003 1.00 15.00 B C +ATOM 184 O MET B 18 -1.874 43.061 -29.451 1.00 15.00 B O +ATOM 185 N SER B 19 -3.045 41.269 -28.708 1.00 15.00 B N +ATOM 186 HN SER B 19 -2.982 40.353 -28.366 1.00 15.00 B H +ATOM 187 CA SER B 19 -4.383 41.854 -28.864 1.00 15.00 B C +ATOM 188 CB SER B 19 -5.404 40.750 -29.092 1.00 15.00 B C +ATOM 189 OG SER B 19 -5.416 39.852 -27.995 1.00 15.00 B O +ATOM 190 HG SER B 19 -6.307 39.786 -27.645 1.00 15.00 B H +ATOM 191 C SER B 19 -4.817 42.717 -27.675 1.00 15.00 B C +ATOM 192 O SER B 19 -5.728 43.538 -27.805 1.00 15.00 B O +ATOM 193 N GLY B 20 -4.196 42.475 -26.529 1.00 15.00 B N +ATOM 194 HN GLY B 20 -3.516 41.769 -26.523 1.00 15.00 B H +ATOM 195 CA GLY B 20 -4.454 43.184 -25.283 1.00 15.00 B C +ATOM 196 C GLY B 20 -3.231 43.190 -24.391 1.00 15.00 B C +ATOM 197 O GLY B 20 -2.239 42.531 -24.721 1.00 15.00 B O +ATOM 198 N PRO B 21 -3.262 43.897 -23.232 1.00 15.00 B N +ATOM 199 CA PRO B 21 -2.071 43.919 -22.355 1.00 15.00 B C +ATOM 200 CB PRO B 21 -2.455 44.906 -21.245 1.00 15.00 B C +ATOM 201 CG PRO B 21 -3.946 44.952 -21.261 1.00 15.00 B C +ATOM 202 CD PRO B 21 -4.349 44.742 -22.689 1.00 15.00 B C +ATOM 203 C PRO B 21 -1.648 42.558 -21.798 1.00 15.00 B C +ATOM 204 O PRO B 21 -0.479 42.375 -21.456 1.00 15.00 B O +ATOM 205 N TYR B 22 -2.592 41.605 -21.702 1.00 15.00 B N +ATOM 206 HN TYR B 22 -3.506 41.820 -21.984 1.00 15.00 B H +ATOM 207 CA TYR B 22 -2.314 40.259 -21.194 1.00 15.00 B C +ATOM 208 CB TYR B 22 -2.791 40.106 -19.731 1.00 15.00 B C +ATOM 209 CG TYR B 22 -2.337 41.231 -18.833 1.00 15.00 B C +ATOM 210 CD1 TYR B 22 -1.040 41.268 -18.332 1.00 15.00 B C +ATOM 211 CD2 TYR B 22 -3.185 42.294 -18.533 1.00 15.00 B C +ATOM 212 CE1 TYR B 22 -0.605 42.323 -17.531 1.00 15.00 B C +ATOM 213 CE2 TYR B 22 -2.760 43.355 -17.736 1.00 15.00 B C +ATOM 214 CZ TYR B 22 -1.470 43.364 -17.236 1.00 15.00 B C +ATOM 215 OH TYR B 22 -1.044 44.408 -16.457 1.00 15.00 B O +ATOM 216 HH TYR B 22 -1.719 44.620 -15.808 1.00 15.00 B H +ATOM 217 C TYR B 22 -2.964 39.226 -22.096 1.00 15.00 B C +ATOM 218 O TYR B 22 -3.449 38.202 -21.622 1.00 15.00 B O +ATOM 219 N GLU B 23 -2.988 39.497 -23.409 1.00 15.00 B N +ATOM 220 HN GLU B 23 -2.571 40.317 -23.748 1.00 15.00 B H +ATOM 221 CA GLU B 23 -3.634 38.574 -24.333 1.00 15.00 B C +ATOM 222 CB GLU B 23 -5.121 38.944 -24.516 1.00 15.00 B C +ATOM 223 CG GLU B 23 -5.986 37.795 -25.017 1.00 15.00 B C +ATOM 224 CD GLU B 23 -7.364 38.192 -25.510 1.00 15.00 B C +ATOM 225 OE1 GLU B 23 -7.458 39.117 -26.349 1.00 15.00 B O +ATOM 226 OE2 GLU B 23 -8.350 37.551 -25.081 1.00 15.00 B O +ATOM 227 C GLU B 23 -2.953 38.505 -25.670 1.00 15.00 B C +ATOM 228 O GLU B 23 -2.490 39.518 -26.184 1.00 15.00 B O +ATOM 229 N LEU B 24 -2.916 37.295 -26.238 1.00 15.00 B N +ATOM 230 HN LEU B 24 -3.253 36.535 -25.719 1.00 15.00 B H +ATOM 231 CA LEU B 24 -2.408 37.034 -27.577 1.00 15.00 B C +ATOM 232 CB LEU B 24 -1.250 36.020 -27.592 1.00 15.00 B C +ATOM 233 CG LEU B 24 0.034 36.292 -26.788 1.00 15.00 B C +ATOM 234 CD1 LEU B 24 1.018 35.158 -26.987 1.00 15.00 B C +ATOM 235 CD2 LEU B 24 0.706 37.602 -27.209 1.00 15.00 B C +ATOM 236 C LEU B 24 -3.549 36.452 -28.390 1.00 15.00 B C +ATOM 237 O LEU B 24 -4.352 35.681 -27.863 1.00 15.00 B O +ATOM 238 N LYS B 25 -3.597 36.789 -29.676 1.00 15.00 B N +ATOM 239 HN LYS B 25 -2.944 37.441 -30.006 1.00 15.00 B H +ATOM 240 CA LYS B 25 -4.565 36.246 -30.627 1.00 15.00 B C +ATOM 241 CB LYS B 25 -5.546 37.328 -31.092 1.00 15.00 B C +ATOM 242 CG LYS B 25 -6.785 37.448 -30.219 1.00 15.00 B C +ATOM 243 CD LYS B 25 -7.708 38.554 -30.719 1.00 15.00 B C +ATOM 244 CE LYS B 25 -8.888 38.754 -29.802 1.00 15.00 B C +ATOM 245 NZ LYS B 25 -9.604 40.023 -30.094 1.00 15.00 B N +ATOM 246 HZ1 LYS B 25 -9.955 40.018 -31.073 1.00 15.00 B H +ATOM 247 HZ2 LYS B 25 -8.962 40.832 -29.972 1.00 15.00 B H +ATOM 248 HZ3 LYS B 25 -10.411 40.135 -29.448 1.00 15.00 B H +ATOM 249 C LYS B 25 -3.808 35.668 -31.831 1.00 15.00 B C +ATOM 250 O LYS B 25 -2.673 36.072 -32.088 1.00 15.00 B O +ATOM 251 N ALA B 26 -4.439 34.746 -32.567 1.00 15.00 B N +ATOM 252 HN ALA B 26 -5.335 34.461 -32.291 1.00 15.00 B H +ATOM 253 CA ALA B 26 -3.855 34.143 -33.764 1.00 15.00 B C +ATOM 254 CB ALA B 26 -3.710 32.636 -33.597 1.00 15.00 B C +ATOM 255 C ALA B 26 -4.716 34.455 -34.982 1.00 15.00 B C +ATOM 256 O ALA B 26 -5.931 34.258 -34.954 1.00 15.00 B O +ATOM 257 N LEU B 27 -4.085 34.950 -36.053 1.00 15.00 B N +ATOM 258 HN LEU B 27 -3.118 35.098 -35.999 1.00 15.00 B H +ATOM 259 CA LEU B 27 -4.774 35.280 -37.301 1.00 15.00 B C +ATOM 260 CB LEU B 27 -5.546 36.624 -37.186 1.00 15.00 B C +ATOM 261 CG LEU B 27 -4.740 37.946 -37.241 1.00 15.00 B C +ATOM 262 CD1 LEU B 27 -5.581 39.074 -37.797 1.00 15.00 B C +ATOM 263 CD2 LEU B 27 -4.191 38.330 -35.886 1.00 15.00 B C +ATOM 264 C LEU B 27 -3.763 35.316 -38.442 1.00 15.00 B C +ATOM 265 O LEU B 27 -2.570 35.507 -38.191 1.00 15.00 B O +ATOM 266 N HIS B 28 -4.223 35.107 -39.684 1.00 15.00 B N +ATOM 267 HN HIS B 28 -5.171 34.896 -39.818 1.00 15.00 B H +ATOM 268 CA HIS B 28 -3.334 35.188 -40.844 1.00 15.00 B C +ATOM 269 CB HIS B 28 -3.991 34.617 -42.116 1.00 15.00 B C +ATOM 270 CG HIS B 28 -4.063 33.124 -42.136 1.00 15.00 B C +ATOM 271 ND1 HIS B 28 -5.230 32.458 -41.820 1.00 15.00 B N +ATOM 272 HD1 HIS B 28 -6.088 32.850 -41.555 1.00 15.00 B H +ATOM 273 CD2 HIS B 28 -3.109 32.216 -42.439 1.00 15.00 B C +ATOM 274 CE1 HIS B 28 -4.955 31.171 -41.946 1.00 15.00 B C +ATOM 275 NE2 HIS B 28 -3.694 30.978 -42.325 1.00 15.00 B N +ATOM 276 HE2 HIS B 28 -3.265 30.113 -42.491 1.00 15.00 B H +ATOM 277 C HIS B 28 -3.009 36.660 -41.059 1.00 15.00 B C +ATOM 278 O HIS B 28 -3.920 37.493 -41.088 1.00 15.00 B O +ATOM 279 N LEU B 29 -1.716 36.980 -41.165 1.00 15.00 B N +ATOM 280 HN LEU B 29 -1.043 36.272 -41.088 1.00 15.00 B H +ATOM 281 CA LEU B 29 -1.276 38.349 -41.392 1.00 15.00 B C +ATOM 282 CB LEU B 29 -0.178 38.779 -40.396 1.00 15.00 B C +ATOM 283 CG LEU B 29 -0.587 39.036 -38.937 1.00 15.00 B C +ATOM 284 CD1 LEU B 29 0.611 39.471 -38.121 1.00 15.00 B C +ATOM 285 CD2 LEU B 29 -1.664 40.112 -38.823 1.00 15.00 B C +ATOM 286 C LEU B 29 -0.803 38.524 -42.824 1.00 15.00 B C +ATOM 287 O LEU B 29 0.053 37.768 -43.291 1.00 15.00 B O +ATOM 288 N GLN B 30 -1.385 39.510 -43.526 1.00 15.00 B N +ATOM 289 HN GLN B 30 -2.094 40.030 -43.093 1.00 15.00 B H +ATOM 290 CA GLN B 30 -1.018 39.852 -44.904 1.00 15.00 B C +ATOM 291 CB GLN B 30 -2.071 40.781 -45.523 1.00 15.00 B C +ATOM 292 CG GLN B 30 -3.410 40.119 -45.826 1.00 15.00 B C +ATOM 293 CD GLN B 30 -4.392 41.127 -46.369 1.00 15.00 B C +ATOM 294 OE1 GLN B 30 -5.150 41.757 -45.624 1.00 15.00 B O +ATOM 295 NE2 GLN B 30 -4.375 41.328 -47.677 1.00 15.00 B N +ATOM 296 HE21 GLN B 30 -3.734 40.818 -48.215 1.00 15.00 B H +ATOM 297 HE22 GLN B 30 -5.004 41.978 -48.054 1.00 15.00 B H +ATOM 298 C GLN B 30 0.345 40.554 -44.875 1.00 15.00 B C +ATOM 299 O GLN B 30 0.697 41.153 -43.856 1.00 15.00 B O +ATOM 300 N GLY B 31 1.085 40.481 -45.981 1.00 15.00 B N +ATOM 301 HN GLY B 31 0.708 39.992 -46.742 1.00 15.00 B H +ATOM 302 CA GLY B 31 2.413 41.074 -46.143 1.00 15.00 B C +ATOM 303 C GLY B 31 2.649 42.460 -45.559 1.00 15.00 B C +ATOM 304 O GLY B 31 3.779 42.770 -45.171 1.00 15.00 B O +ATOM 305 N GLN B 32 1.593 43.302 -45.473 1.00 15.00 B N +ATOM 306 HN GLN B 32 0.719 42.985 -45.783 1.00 15.00 B H +ATOM 307 CA GLN B 32 1.689 44.666 -44.940 1.00 15.00 B C +ATOM 308 CB GLN B 32 0.729 45.626 -45.683 1.00 15.00 B C +ATOM 309 CG GLN B 32 -0.742 45.591 -45.237 1.00 15.00 B C +ATOM 310 CD GLN B 32 -1.598 44.533 -45.901 1.00 15.00 B C +ATOM 311 OE1 GLN B 32 -1.281 43.995 -46.970 1.00 15.00 B O +ATOM 312 NE2 GLN B 32 -2.748 44.261 -45.303 1.00 15.00 B N +ATOM 313 HE21 GLN B 32 -2.971 44.751 -44.484 1.00 15.00 B H +ATOM 314 HE22 GLN B 32 -3.329 43.581 -45.704 1.00 15.00 B H +ATOM 315 C GLN B 32 1.509 44.754 -43.401 1.00 15.00 B C +ATOM 316 O GLN B 32 1.894 45.767 -42.811 1.00 15.00 B O +ATOM 317 N ASP B 33 0.932 43.711 -42.765 1.00 15.00 B N +ATOM 318 HN ASP B 33 0.666 42.936 -43.303 1.00 15.00 B H +ATOM 319 CA ASP B 33 0.677 43.664 -41.315 1.00 15.00 B C +ATOM 320 CB ASP B 33 -0.802 43.320 -41.039 1.00 15.00 B C +ATOM 321 CG ASP B 33 -1.793 44.347 -41.552 1.00 15.00 B C +ATOM 322 OD1 ASP B 33 -1.809 45.479 -41.016 1.00 15.00 B O +ATOM 323 OD2 ASP B 33 -2.576 44.007 -42.467 1.00 15.00 B O +ATOM 324 C ASP B 33 1.609 42.717 -40.518 1.00 15.00 B C +ATOM 325 O ASP B 33 1.440 42.586 -39.301 1.00 15.00 B O +ATOM 326 N MET B 34 2.594 42.086 -41.197 1.00 15.00 B N +ATOM 327 HN MET B 34 2.663 42.275 -42.156 1.00 15.00 B H +ATOM 328 CA MET B 34 3.573 41.141 -40.631 1.00 15.00 B C +ATOM 329 CB MET B 34 4.597 40.740 -41.709 1.00 15.00 B C +ATOM 330 CG MET B 34 5.236 39.387 -41.480 1.00 15.00 B C +ATOM 331 SD MET B 34 4.154 38.014 -41.945 1.00 15.00 B S +ATOM 332 CE MET B 34 3.925 37.269 -40.392 1.00 15.00 B C +ATOM 333 C MET B 34 4.304 41.644 -39.371 1.00 15.00 B C +ATOM 334 O MET B 34 4.574 40.849 -38.466 1.00 15.00 B O +ATOM 335 N GLU B 35 4.615 42.956 -39.313 1.00 15.00 B N +ATOM 336 HN GLU B 35 4.347 43.523 -40.066 1.00 15.00 B H +ATOM 337 CA GLU B 35 5.328 43.592 -38.198 1.00 15.00 B C +ATOM 338 CB GLU B 35 5.713 45.039 -38.571 1.00 15.00 B C +ATOM 339 CG GLU B 35 6.845 45.653 -37.752 1.00 15.00 B C +ATOM 340 CD GLU B 35 8.132 44.864 -37.562 1.00 15.00 B C +ATOM 341 OE1 GLU B 35 8.717 44.953 -36.458 1.00 15.00 B O +ATOM 342 OE2 GLU B 35 8.558 44.162 -38.507 1.00 15.00 B O +ATOM 343 C GLU B 35 4.576 43.532 -36.843 1.00 15.00 B C +ATOM 344 O GLU B 35 5.199 43.691 -35.792 1.00 15.00 B O +ATOM 345 N GLN B 36 3.258 43.272 -36.872 1.00 15.00 B N +ATOM 346 HN GLN B 36 2.833 43.152 -37.747 1.00 15.00 B H +ATOM 347 CA GLN B 36 2.416 43.156 -35.678 1.00 15.00 B C +ATOM 348 CB GLN B 36 0.927 43.146 -36.064 1.00 15.00 B C +ATOM 349 CG GLN B 36 0.365 44.497 -36.488 1.00 15.00 B C +ATOM 350 CD GLN B 36 -1.111 44.417 -36.798 1.00 15.00 B C +ATOM 351 OE1 GLN B 36 -1.937 44.030 -35.959 1.00 15.00 B O +ATOM 352 NE2 GLN B 36 -1.482 44.809 -38.006 1.00 15.00 B N +ATOM 353 HE21 GLN B 36 -0.789 45.125 -38.623 1.00 15.00 B H +ATOM 354 HE22 GLN B 36 -2.434 44.768 -38.234 1.00 15.00 B H +ATOM 355 C GLN B 36 2.729 41.899 -34.853 1.00 15.00 B C +ATOM 356 O GLN B 36 2.450 41.889 -33.646 1.00 15.00 B O +ATOM 357 N GLN B 37 3.288 40.838 -35.492 1.00 15.00 B N +ATOM 358 HN GLN B 37 3.501 40.922 -36.445 1.00 15.00 B H +ATOM 359 CA GLN B 37 3.586 39.569 -34.813 1.00 15.00 B C +ATOM 360 CB GLN B 37 4.107 38.490 -35.782 1.00 15.00 B C +ATOM 361 CG GLN B 37 5.543 38.647 -36.279 1.00 15.00 B C +ATOM 362 CD GLN B 37 5.903 37.628 -37.341 1.00 15.00 B C +ATOM 363 OE1 GLN B 37 5.403 36.494 -37.366 1.00 15.00 B O +ATOM 364 NE2 GLN B 37 6.796 38.008 -38.245 1.00 15.00 B N +ATOM 365 HE21 GLN B 37 7.167 38.912 -38.177 1.00 15.00 B H +ATOM 366 HE22 GLN B 37 7.048 37.369 -38.944 1.00 15.00 B H +ATOM 367 C GLN B 37 4.506 39.745 -33.596 1.00 15.00 B C +ATOM 368 O GLN B 37 5.386 40.611 -33.600 1.00 15.00 B O +ATOM 369 N VAL B 38 4.265 38.958 -32.542 1.00 15.00 B N +ATOM 370 HN VAL B 38 3.552 38.288 -32.587 1.00 15.00 B H +ATOM 371 CA VAL B 38 5.059 39.092 -31.324 1.00 15.00 B C +ATOM 372 CB VAL B 38 4.326 38.697 -30.010 1.00 15.00 B C +ATOM 373 CG1 VAL B 38 4.838 39.535 -28.840 1.00 15.00 B C +ATOM 374 CG2 VAL B 38 2.819 38.859 -30.133 1.00 15.00 B C +ATOM 375 C VAL B 38 6.396 38.381 -31.463 1.00 15.00 B C +ATOM 376 O VAL B 38 6.481 37.329 -32.094 1.00 15.00 B O +ATOM 377 N VAL B 39 7.444 38.975 -30.884 1.00 15.00 B N +ATOM 378 HN VAL B 39 7.313 39.845 -30.453 1.00 15.00 B H +ATOM 379 CA VAL B 39 8.766 38.384 -30.868 1.00 15.00 B C +ATOM 380 CB VAL B 39 9.885 39.361 -31.296 1.00 15.00 B C +ATOM 381 CG1 VAL B 39 11.261 38.718 -31.130 1.00 15.00 B C +ATOM 382 CG2 VAL B 39 9.685 39.818 -32.743 1.00 15.00 B C +ATOM 383 C VAL B 39 8.967 37.796 -29.457 1.00 15.00 B C +ATOM 384 O VAL B 39 8.860 38.503 -28.453 1.00 15.00 B O +ATOM 385 N PHE B 40 9.180 36.490 -29.398 1.00 15.00 B N +ATOM 386 HN PHE B 40 9.186 35.981 -30.236 1.00 15.00 B H +ATOM 387 CA PHE B 40 9.406 35.770 -28.150 1.00 15.00 B C +ATOM 388 CB PHE B 40 8.858 34.336 -28.254 1.00 15.00 B C +ATOM 389 CG PHE B 40 7.355 34.229 -28.341 1.00 15.00 B C +ATOM 390 CD1 PHE B 40 6.580 34.131 -27.189 1.00 15.00 B C +ATOM 391 CD2 PHE B 40 6.717 34.163 -29.575 1.00 15.00 B C +ATOM 392 CE1 PHE B 40 5.188 34.009 -27.270 1.00 15.00 B C +ATOM 393 CE2 PHE B 40 5.326 34.057 -29.655 1.00 15.00 B C +ATOM 394 CZ PHE B 40 4.570 33.981 -28.502 1.00 15.00 B C +ATOM 395 C PHE B 40 10.886 35.691 -27.865 1.00 15.00 B C +ATOM 396 O PHE B 40 11.691 35.593 -28.791 1.00 15.00 B O +ATOM 397 N SER B 41 11.237 35.708 -26.573 1.00 15.00 B N +ATOM 398 HN SER B 41 10.532 35.902 -25.920 1.00 15.00 B H +ATOM 399 CA SER B 41 12.569 35.465 -26.056 1.00 15.00 B C +ATOM 400 CB SER B 41 13.011 36.575 -25.108 1.00 15.00 B C +ATOM 401 OG SER B 41 14.319 36.324 -24.618 1.00 15.00 B O +ATOM 402 HG SER B 41 14.805 35.799 -25.258 1.00 15.00 B H +ATOM 403 C SER B 41 12.413 34.128 -25.328 1.00 15.00 B C +ATOM 404 O SER B 41 11.802 34.068 -24.259 1.00 15.00 B O +ATOM 405 N MET B 42 12.857 33.044 -25.971 1.00 15.00 B N +ATOM 406 HN MET B 42 13.272 33.163 -26.851 1.00 15.00 B H +ATOM 407 CA MET B 42 12.756 31.689 -25.431 1.00 15.00 B C +ATOM 408 CB MET B 42 12.495 30.680 -26.561 1.00 15.00 B C +ATOM 409 CG MET B 42 12.166 29.281 -26.070 1.00 15.00 B C +ATOM 410 SD MET B 42 12.213 28.072 -27.405 1.00 15.00 B S +ATOM 411 CE MET B 42 10.826 28.636 -28.388 1.00 15.00 B C +ATOM 412 C MET B 42 14.025 31.338 -24.668 1.00 15.00 B C +ATOM 413 O MET B 42 15.098 31.289 -25.259 1.00 15.00 B O +ATOM 414 N SER B 43 13.892 31.083 -23.363 1.00 15.00 B N +ATOM 415 HN SER B 43 12.988 31.117 -22.986 1.00 15.00 B H +ATOM 416 CA SER B 43 14.988 30.757 -22.454 1.00 15.00 B C +ATOM 417 CB SER B 43 14.854 31.563 -21.168 1.00 15.00 B C +ATOM 418 OG SER B 43 14.871 32.955 -21.437 1.00 15.00 B O +ATOM 419 HG SER B 43 15.341 33.411 -20.735 1.00 15.00 B H +ATOM 420 C SER B 43 15.027 29.274 -22.112 1.00 15.00 B C +ATOM 421 O SER B 43 13.985 28.632 -22.040 1.00 15.00 B O +ATOM 422 N PHE B 44 16.228 28.737 -21.859 1.00 15.00 B N +ATOM 423 HN PHE B 44 17.018 29.314 -21.908 1.00 15.00 B H +ATOM 424 CA PHE B 44 16.413 27.331 -21.513 1.00 15.00 B C +ATOM 425 CB PHE B 44 17.592 26.700 -22.289 1.00 15.00 B C +ATOM 426 CG PHE B 44 17.369 26.746 -23.784 1.00 15.00 B C +ATOM 427 CD1 PHE B 44 17.808 27.830 -24.538 1.00 15.00 B C +ATOM 428 CD2 PHE B 44 16.663 25.739 -24.430 1.00 15.00 B C +ATOM 429 CE1 PHE B 44 17.573 27.890 -25.917 1.00 15.00 B C +ATOM 430 CE2 PHE B 44 16.423 25.804 -25.807 1.00 15.00 B C +ATOM 431 CZ PHE B 44 16.879 26.877 -26.542 1.00 15.00 B C +ATOM 432 C PHE B 44 16.535 27.213 -20.004 1.00 15.00 B C +ATOM 433 O PHE B 44 17.534 27.621 -19.416 1.00 15.00 B O +ATOM 434 N VAL B 45 15.474 26.710 -19.378 1.00 15.00 B N +ATOM 435 HN VAL B 45 14.721 26.392 -19.919 1.00 15.00 B H +ATOM 436 CA VAL B 45 15.375 26.608 -17.923 1.00 15.00 B C +ATOM 437 CB VAL B 45 13.964 27.036 -17.438 1.00 15.00 B C +ATOM 438 CG1 VAL B 45 13.671 28.478 -17.848 1.00 15.00 B C +ATOM 439 CG2 VAL B 45 12.879 26.095 -17.968 1.00 15.00 B C +ATOM 440 C VAL B 45 15.809 25.223 -17.413 1.00 15.00 B C +ATOM 441 O VAL B 45 16.235 24.387 -18.209 1.00 15.00 B O +ATOM 442 N GLN B 46 15.736 24.994 -16.090 1.00 15.00 B N +ATOM 443 HN GLN B 46 15.412 25.711 -15.505 1.00 15.00 B H +ATOM 444 CA GLN B 46 16.122 23.715 -15.488 1.00 15.00 B C +ATOM 445 CB GLN B 46 16.465 23.903 -14.000 1.00 15.00 B C +ATOM 446 CG GLN B 46 17.915 24.335 -13.747 1.00 15.00 B C +ATOM 447 CD GLN B 46 18.921 23.199 -13.811 1.00 15.00 B C +ATOM 448 OE1 GLN B 46 18.694 22.089 -13.306 1.00 15.00 B O +ATOM 449 NE2 GLN B 46 20.086 23.473 -14.383 1.00 15.00 B N +ATOM 450 HE21 GLN B 46 20.231 24.379 -14.727 1.00 15.00 B H +ATOM 451 HE22 GLN B 46 20.754 22.758 -14.438 1.00 15.00 B H +ATOM 452 C GLN B 46 15.029 22.652 -15.678 1.00 15.00 B C +ATOM 453 O GLN B 46 13.854 22.999 -15.835 1.00 15.00 B O +ATOM 454 N GLY B 47 15.430 21.378 -15.676 1.00 15.00 B N +ATOM 455 HN GLY B 47 16.386 21.194 -15.568 1.00 15.00 B H +ATOM 456 CA GLY B 47 14.512 20.253 -15.827 1.00 15.00 B C +ATOM 457 C GLY B 47 15.057 19.039 -16.555 1.00 15.00 B C +ATOM 458 O GLY B 47 16.263 18.776 -16.529 1.00 15.00 B O +ATOM 459 N GLU B 48 14.147 18.283 -17.201 1.00 15.00 B N +ATOM 460 HN GLU B 48 13.216 18.588 -17.174 1.00 15.00 B H +ATOM 461 CA GLU B 48 14.420 17.046 -17.941 1.00 15.00 B C +ATOM 462 CB GLU B 48 13.144 16.181 -17.992 1.00 15.00 B C +ATOM 463 CG GLU B 48 13.362 14.734 -18.405 1.00 15.00 B C +ATOM 464 CD GLU B 48 12.886 14.363 -19.797 1.00 15.00 B C +ATOM 465 OE1 GLU B 48 11.793 14.818 -20.204 1.00 15.00 B O +ATOM 466 OE2 GLU B 48 13.588 13.569 -20.464 1.00 15.00 B O +ATOM 467 C GLU B 48 14.990 17.313 -19.347 1.00 15.00 B C +ATOM 468 O GLU B 48 14.259 17.735 -20.246 1.00 15.00 B O +ATOM 469 N GLU B 49 16.299 17.048 -19.525 1.00 15.00 B N +ATOM 470 HN GLU B 49 16.800 16.700 -18.758 1.00 15.00 B H +ATOM 471 CA GLU B 49 17.031 17.241 -20.782 1.00 15.00 B C +ATOM 472 CB GLU B 49 18.519 17.547 -20.490 1.00 15.00 B C +ATOM 473 CG GLU B 49 19.452 17.575 -21.696 1.00 15.00 B C +ATOM 474 CD GLU B 49 19.196 18.654 -22.731 1.00 15.00 B C +ATOM 475 OE1 GLU B 49 19.308 19.853 -22.388 1.00 15.00 B O +ATOM 476 OE2 GLU B 49 18.924 18.296 -23.899 1.00 15.00 B O +ATOM 477 C GLU B 49 16.870 16.036 -21.722 1.00 15.00 B C +ATOM 478 O GLU B 49 17.120 14.902 -21.314 1.00 15.00 B O +ATOM 479 N SER B 50 16.446 16.299 -22.979 1.00 15.00 B N +ATOM 480 HN SER B 50 16.257 17.236 -23.196 1.00 15.00 B H +ATOM 481 CA SER B 50 16.241 15.313 -24.053 1.00 15.00 B C +ATOM 482 CB SER B 50 14.952 14.523 -23.836 1.00 15.00 B C +ATOM 483 OG SER B 50 15.055 13.623 -22.747 1.00 15.00 B O +ATOM 484 HG SER B 50 14.186 13.482 -22.364 1.00 15.00 B H +ATOM 485 C SER B 50 16.177 16.009 -25.413 1.00 15.00 B C +ATOM 486 O SER B 50 15.518 17.042 -25.533 1.00 15.00 B O +ATOM 487 N ASN B 51 16.806 15.416 -26.449 1.00 15.00 B N +ATOM 488 HN ASN B 51 17.284 14.577 -26.279 1.00 15.00 B H +ATOM 489 CA ASN B 51 16.818 15.954 -27.821 1.00 15.00 B C +ATOM 490 CB ASN B 51 17.794 15.175 -28.714 1.00 15.00 B C +ATOM 491 CG ASN B 51 17.554 13.686 -28.754 1.00 15.00 B C +ATOM 492 OD1 ASN B 51 18.140 12.919 -27.983 1.00 15.00 B O +ATOM 493 ND2 ASN B 51 16.705 13.242 -29.667 1.00 15.00 B N +ATOM 494 HD21 ASN B 51 16.282 13.895 -30.262 1.00 15.00 B H +ATOM 495 HD22 ASN B 51 16.534 12.278 -29.710 1.00 15.00 B H +ATOM 496 C ASN B 51 15.416 16.044 -28.468 1.00 15.00 B C +ATOM 497 O ASN B 51 15.267 16.667 -29.522 1.00 15.00 B O +ATOM 498 N ASP B 52 14.398 15.449 -27.815 1.00 15.00 B N +ATOM 499 HN ASP B 52 14.612 14.984 -26.979 1.00 15.00 B H +ATOM 500 CA ASP B 52 13.000 15.438 -28.249 1.00 15.00 B C +ATOM 501 CB ASP B 52 12.494 13.991 -28.390 1.00 15.00 B C +ATOM 502 CG ASP B 52 12.562 13.186 -27.108 1.00 15.00 B C +ATOM 503 OD1 ASP B 52 13.652 12.658 -26.797 1.00 15.00 B O +ATOM 504 OD2 ASP B 52 11.529 13.089 -26.412 1.00 15.00 B O +ATOM 505 C ASP B 52 12.078 16.250 -27.316 1.00 15.00 B C +ATOM 506 O ASP B 52 10.950 16.554 -27.702 1.00 15.00 B O +ATOM 507 N LYS B 53 12.554 16.586 -26.094 1.00 15.00 B N +ATOM 508 HN LYS B 53 13.468 16.313 -25.871 1.00 15.00 B H +ATOM 509 CA LYS B 53 11.797 17.332 -25.076 1.00 15.00 B C +ATOM 510 CB LYS B 53 10.877 16.364 -24.288 1.00 15.00 B C +ATOM 511 CG LYS B 53 9.936 17.040 -23.289 1.00 15.00 B C +ATOM 512 CD LYS B 53 9.075 16.036 -22.516 1.00 15.00 B C +ATOM 513 CE LYS B 53 7.690 15.877 -23.102 1.00 15.00 B C +ATOM 514 NZ LYS B 53 6.788 15.115 -22.197 1.00 15.00 B N +ATOM 515 HZ1 LYS B 53 6.695 15.609 -21.286 1.00 15.00 B H +ATOM 516 HZ2 LYS B 53 7.173 14.165 -22.025 1.00 15.00 B H +ATOM 517 HZ3 LYS B 53 5.845 15.022 -22.627 1.00 15.00 B H +ATOM 518 C LYS B 53 12.729 18.127 -24.124 1.00 15.00 B C +ATOM 519 O LYS B 53 13.452 17.518 -23.332 1.00 15.00 B O +ATOM 520 N ILE B 54 12.707 19.480 -24.197 1.00 15.00 B N +ATOM 521 HN ILE B 54 12.118 19.907 -24.853 1.00 15.00 B H +ATOM 522 CA ILE B 54 13.538 20.335 -23.325 1.00 15.00 B C +ATOM 523 CB ILE B 54 14.811 20.919 -23.999 1.00 15.00 B C +ATOM 524 CG1 ILE B 54 14.480 21.679 -25.298 1.00 15.00 B C +ATOM 525 CG2 ILE B 54 15.885 19.842 -24.199 1.00 15.00 B C +ATOM 526 CD1 ILE B 54 15.640 22.437 -25.912 1.00 15.00 B C +ATOM 527 C ILE B 54 12.729 21.446 -22.626 1.00 15.00 B C +ATOM 528 O ILE B 54 11.897 22.099 -23.264 1.00 15.00 B O +ATOM 529 N PRO B 55 12.999 21.702 -21.328 1.00 15.00 B N +ATOM 530 CA PRO B 55 12.252 22.759 -20.626 1.00 15.00 B C +ATOM 531 CB PRO B 55 12.531 22.476 -19.150 1.00 15.00 B C +ATOM 532 CG PRO B 55 13.859 21.794 -19.139 1.00 15.00 B C +ATOM 533 CD PRO B 55 13.958 21.022 -20.426 1.00 15.00 B C +ATOM 534 C PRO B 55 12.644 24.180 -21.048 1.00 15.00 B C +ATOM 535 O PRO B 55 13.830 24.526 -21.101 1.00 15.00 B O +ATOM 536 N VAL B 56 11.631 24.992 -21.386 1.00 15.00 B N +ATOM 537 HN VAL B 56 10.721 24.630 -21.348 1.00 15.00 B H +ATOM 538 CA VAL B 56 11.796 26.383 -21.807 1.00 15.00 B C +ATOM 539 CB VAL B 56 11.669 26.574 -23.355 1.00 15.00 B C +ATOM 540 CG1 VAL B 56 12.758 25.820 -24.122 1.00 15.00 B C +ATOM 541 CG2 VAL B 56 10.267 26.235 -23.880 1.00 15.00 B C +ATOM 542 C VAL B 56 10.830 27.335 -21.072 1.00 15.00 B C +ATOM 543 O VAL B 56 9.822 26.892 -20.517 1.00 15.00 B O +ATOM 544 N ALA B 57 11.127 28.643 -21.121 1.00 15.00 B N +ATOM 545 HN ALA B 57 11.998 28.903 -21.487 1.00 15.00 B H +ATOM 546 CA ALA B 57 10.231 29.707 -20.662 1.00 15.00 B C +ATOM 547 CB ALA B 57 10.827 30.472 -19.491 1.00 15.00 B C +ATOM 548 C ALA B 57 10.034 30.630 -21.883 1.00 15.00 B C +ATOM 549 O ALA B 57 10.975 30.857 -22.646 1.00 15.00 B O +ATOM 550 N LEU B 58 8.799 31.057 -22.117 1.00 15.00 B N +ATOM 551 HN LEU B 58 8.094 30.796 -21.488 1.00 15.00 B H +ATOM 552 CA LEU B 58 8.429 31.892 -23.255 1.00 15.00 B C +ATOM 553 CB LEU B 58 7.284 31.247 -24.053 1.00 15.00 B C +ATOM 554 CG LEU B 58 7.646 30.011 -24.885 1.00 15.00 B C +ATOM 555 CD1 LEU B 58 6.399 29.283 -25.304 1.00 15.00 B C +ATOM 556 CD2 LEU B 58 8.418 30.391 -26.134 1.00 15.00 B C +ATOM 557 C LEU B 58 8.066 33.298 -22.803 1.00 15.00 B C +ATOM 558 O LEU B 58 6.987 33.535 -22.235 1.00 15.00 B O +ATOM 559 N GLY B 59 9.009 34.207 -23.021 1.00 15.00 B N +ATOM 560 HN GLY B 59 9.852 33.918 -23.429 1.00 15.00 B H +ATOM 561 CA GLY B 59 8.837 35.609 -22.677 1.00 15.00 B C +ATOM 562 C GLY B 59 8.638 36.445 -23.917 1.00 15.00 B C +ATOM 563 O GLY B 59 9.034 36.019 -25.001 1.00 15.00 B O +ATOM 564 N LEU B 60 8.013 37.614 -23.788 1.00 15.00 B N +ATOM 565 HN LEU B 60 7.650 37.880 -22.917 1.00 15.00 B H +ATOM 566 CA LEU B 60 7.866 38.506 -24.944 1.00 15.00 B C +ATOM 567 CB LEU B 60 6.500 39.232 -24.979 1.00 15.00 B C +ATOM 568 CG LEU B 60 5.237 38.364 -25.017 1.00 15.00 B C +ATOM 569 CD1 LEU B 60 3.989 39.227 -25.102 1.00 15.00 B C +ATOM 570 CD2 LEU B 60 5.259 37.373 -26.166 1.00 15.00 B C +ATOM 571 C LEU B 60 9.026 39.478 -24.870 1.00 15.00 B C +ATOM 572 O LEU B 60 9.186 40.156 -23.855 1.00 15.00 B O +ATOM 573 N LYS B 61 9.884 39.473 -25.911 1.00 15.00 B N +ATOM 574 HN LYS B 61 9.664 38.886 -26.664 1.00 15.00 B H +ATOM 575 CA LYS B 61 11.118 40.264 -26.024 1.00 15.00 B C +ATOM 576 CB LYS B 61 11.653 40.238 -27.467 1.00 15.00 B C +ATOM 577 CG LYS B 61 13.106 40.690 -27.605 1.00 15.00 B C +ATOM 578 CD LYS B 61 13.548 40.683 -29.061 1.00 15.00 B C +ATOM 579 CE LYS B 61 13.495 42.042 -29.715 1.00 15.00 B C +ATOM 580 NZ LYS B 61 14.739 42.812 -29.462 1.00 15.00 B N +ATOM 581 HZ1 LYS B 61 15.560 42.300 -29.843 1.00 15.00 B H +ATOM 582 HZ2 LYS B 61 14.874 42.948 -28.440 1.00 15.00 B H +ATOM 583 HZ3 LYS B 61 14.682 43.744 -29.920 1.00 15.00 B H +ATOM 584 C LYS B 61 10.993 41.702 -25.507 1.00 15.00 B C +ATOM 585 O LYS B 61 10.183 42.482 -26.015 1.00 15.00 B O +ATOM 586 N GLU B 62 11.780 42.010 -24.452 1.00 15.00 B N +ATOM 587 HN GLU B 62 12.346 41.288 -24.107 1.00 15.00 B H +ATOM 588 CA GLU B 62 11.883 43.306 -23.763 1.00 15.00 B C +ATOM 589 CB GLU B 62 12.611 44.336 -24.659 1.00 15.00 B C +ATOM 590 CG GLU B 62 14.080 44.018 -24.907 1.00 15.00 B C +ATOM 591 CD GLU B 62 14.689 44.559 -26.190 1.00 15.00 B C +ATOM 592 OE1 GLU B 62 14.051 45.405 -26.861 1.00 15.00 B O +ATOM 593 OE2 GLU B 62 15.816 44.129 -26.525 1.00 15.00 B O +ATOM 594 C GLU B 62 10.528 43.868 -23.240 1.00 15.00 B C +ATOM 595 O GLU B 62 10.438 45.067 -22.967 1.00 15.00 B O +ATOM 596 N LYS B 63 9.498 42.997 -23.051 1.00 15.00 B N +ATOM 597 HN LYS B 63 9.650 42.044 -23.220 1.00 15.00 B H +ATOM 598 CA LYS B 63 8.169 43.431 -22.604 1.00 15.00 B C +ATOM 599 CB LYS B 63 7.084 42.879 -23.537 1.00 15.00 B C +ATOM 600 CG LYS B 63 6.965 43.655 -24.839 1.00 15.00 B C +ATOM 601 CD LYS B 63 5.535 43.695 -25.337 1.00 15.00 B C +ATOM 602 CE LYS B 63 5.183 45.064 -25.881 1.00 15.00 B C +ATOM 603 NZ LYS B 63 5.829 45.346 -27.194 1.00 15.00 B N +ATOM 604 HZ1 LYS B 63 6.864 45.304 -27.099 1.00 15.00 B H +ATOM 605 HZ2 LYS B 63 5.561 46.293 -27.529 1.00 15.00 B H +ATOM 606 HZ3 LYS B 63 5.527 44.643 -27.899 1.00 15.00 B H +ATOM 607 C LYS B 63 7.840 43.097 -21.143 1.00 15.00 B C +ATOM 608 O LYS B 63 6.789 43.515 -20.640 1.00 15.00 B O +ATOM 609 N ASN B 64 8.737 42.357 -20.466 1.00 15.00 B N +ATOM 610 HN ASN B 64 9.559 42.105 -20.937 1.00 15.00 B H +ATOM 611 CA ASN B 64 8.586 41.895 -19.078 1.00 15.00 B C +ATOM 612 CB ASN B 64 8.790 43.042 -18.069 1.00 15.00 B C +ATOM 613 CG ASN B 64 10.162 43.669 -18.184 1.00 15.00 B C +ATOM 614 OD1 ASN B 64 11.197 43.000 -18.043 1.00 15.00 B O +ATOM 615 ND2 ASN B 64 10.199 44.958 -18.482 1.00 15.00 B N +ATOM 616 HD21 ASN B 64 9.349 45.428 -18.610 1.00 15.00 B H +ATOM 617 HD22 ASN B 64 11.075 45.389 -18.563 1.00 15.00 B H +ATOM 618 C ASN B 64 7.262 41.136 -18.894 1.00 15.00 B C +ATOM 619 O ASN B 64 6.531 41.321 -17.910 1.00 15.00 B O +ATOM 620 N LEU B 65 6.949 40.304 -19.899 1.00 15.00 B N +ATOM 621 HN LEU B 65 7.559 40.265 -20.665 1.00 15.00 B H +ATOM 622 CA LEU B 65 5.769 39.456 -19.933 1.00 15.00 B C +ATOM 623 CB LEU B 65 4.746 39.928 -20.991 1.00 15.00 B C +ATOM 624 CG LEU B 65 4.029 41.252 -20.749 1.00 15.00 B C +ATOM 625 CD1 LEU B 65 3.462 41.794 -22.057 1.00 15.00 B C +ATOM 626 CD2 LEU B 65 2.899 41.098 -19.735 1.00 15.00 B C +ATOM 627 C LEU B 65 6.197 38.045 -20.254 1.00 15.00 B C +ATOM 628 O LEU B 65 7.027 37.838 -21.147 1.00 15.00 B O +ATOM 629 N TYR B 66 5.628 37.074 -19.531 1.00 15.00 B N +ATOM 630 HN TYR B 66 5.010 37.329 -18.814 1.00 15.00 B H +ATOM 631 CA TYR B 66 5.879 35.658 -19.754 1.00 15.00 B C +ATOM 632 CB TYR B 66 6.668 35.046 -18.579 1.00 15.00 B C +ATOM 633 CG TYR B 66 8.151 35.279 -18.684 1.00 15.00 B C +ATOM 634 CD1 TYR B 66 8.980 34.344 -19.297 1.00 15.00 B C +ATOM 635 CD2 TYR B 66 8.722 36.462 -18.232 1.00 15.00 B C +ATOM 636 CE1 TYR B 66 10.345 34.580 -19.451 1.00 15.00 B C +ATOM 637 CE2 TYR B 66 10.086 36.712 -18.384 1.00 15.00 B C +ATOM 638 CZ TYR B 66 10.895 35.758 -18.982 1.00 15.00 B C +ATOM 639 OH TYR B 66 12.238 35.978 -19.133 1.00 15.00 B O +ATOM 640 HH TYR B 66 12.598 36.335 -18.318 1.00 15.00 B H +ATOM 641 C TYR B 66 4.583 34.908 -19.878 1.00 15.00 B C +ATOM 642 O TYR B 66 3.624 35.218 -19.163 1.00 15.00 B O +ATOM 643 N LEU B 67 4.575 33.855 -20.717 1.00 15.00 B N +ATOM 644 HN LEU B 67 5.354 33.678 -21.284 1.00 15.00 B H +ATOM 645 CA LEU B 67 3.415 32.977 -20.787 1.00 15.00 B C +ATOM 646 CB LEU B 67 3.409 32.123 -22.065 1.00 15.00 B C +ATOM 647 CG LEU B 67 3.009 32.843 -23.367 1.00 15.00 B C +ATOM 648 CD1 LEU B 67 3.306 31.975 -24.566 1.00 15.00 B C +ATOM 649 CD2 LEU B 67 1.515 33.218 -23.360 1.00 15.00 B C +ATOM 650 C LEU B 67 3.462 32.072 -19.553 1.00 15.00 B C +ATOM 651 O LEU B 67 4.542 31.639 -19.137 1.00 15.00 B O +ATOM 652 N SER B 68 2.294 31.807 -18.955 1.00 15.00 B N +ATOM 653 HN SER B 68 1.470 32.223 -19.285 1.00 15.00 B H +ATOM 654 CA SER B 68 2.245 30.906 -17.821 1.00 15.00 B C +ATOM 655 CB SER B 68 2.306 31.676 -16.503 1.00 15.00 B C +ATOM 656 OG SER B 68 1.156 32.478 -16.312 1.00 15.00 B O +ATOM 657 HG SER B 68 0.542 32.024 -15.730 1.00 15.00 B H +ATOM 658 C SER B 68 0.987 30.069 -17.899 1.00 15.00 B C +ATOM 659 O SER B 68 0.041 30.439 -18.607 1.00 15.00 B O +ATOM 660 N CYS B 69 0.970 28.944 -17.177 1.00 15.00 B N +ATOM 661 HN CYS B 69 1.773 28.690 -16.677 1.00 15.00 B H +ATOM 662 CA CYS B 69 -0.207 28.080 -17.109 1.00 15.00 B C +ATOM 663 CB CYS B 69 0.049 26.726 -17.746 1.00 15.00 B C +ATOM 664 SG CYS B 69 0.525 26.825 -19.473 1.00 15.00 B S +ATOM 665 HG CYS B 69 1.251 25.754 -19.759 1.00 15.00 B H +ATOM 666 C CYS B 69 -0.603 27.927 -15.675 1.00 15.00 B C +ATOM 667 O CYS B 69 0.212 27.507 -14.861 1.00 15.00 B O +ATOM 668 N VAL B 70 -1.837 28.291 -15.362 1.00 15.00 B N +ATOM 669 HN VAL B 70 -2.426 28.627 -16.069 1.00 15.00 B H +ATOM 670 CA VAL B 70 -2.349 28.208 -13.995 1.00 15.00 B C +ATOM 671 CB VAL B 70 -2.380 29.578 -13.241 1.00 15.00 B C +ATOM 672 CG1 VAL B 70 -0.991 30.216 -13.138 1.00 15.00 B C +ATOM 673 CG2 VAL B 70 -3.387 30.552 -13.853 1.00 15.00 B C +ATOM 674 C VAL B 70 -3.710 27.542 -14.003 1.00 15.00 B C +ATOM 675 O VAL B 70 -4.430 27.623 -15.001 1.00 15.00 B O +ATOM 676 N LEU B 71 -4.073 26.916 -12.884 1.00 15.00 B N +ATOM 677 HN LEU B 71 -3.435 26.860 -12.143 1.00 15.00 B H +ATOM 678 CA LEU B 71 -5.386 26.314 -12.729 1.00 15.00 B C +ATOM 679 CB LEU B 71 -5.349 25.250 -11.617 1.00 15.00 B C +ATOM 680 CG LEU B 71 -6.418 24.173 -11.681 1.00 15.00 B C +ATOM 681 CD1 LEU B 71 -6.174 23.202 -12.863 1.00 15.00 B C +ATOM 682 CD2 LEU B 71 -6.508 23.434 -10.374 1.00 15.00 B C +ATOM 683 C LEU B 71 -6.367 27.433 -12.382 1.00 15.00 B C +ATOM 684 O LEU B 71 -6.142 28.199 -11.427 1.00 15.00 B O +ATOM 685 N LYS B 72 -7.406 27.582 -13.208 1.00 15.00 B N +ATOM 686 HN LYS B 72 -7.461 26.997 -13.992 1.00 15.00 B H +ATOM 687 CA LYS B 72 -8.468 28.570 -13.008 1.00 15.00 B C +ATOM 688 CB LYS B 72 -8.362 29.720 -14.014 1.00 15.00 B C +ATOM 689 CG LYS B 72 -7.307 30.740 -13.630 1.00 15.00 B C +ATOM 690 CD LYS B 72 -7.264 31.883 -14.614 1.00 15.00 B C +ATOM 691 CE LYS B 72 -7.739 33.175 -14.007 1.00 15.00 B C +ATOM 692 NZ LYS B 72 -7.434 34.326 -14.894 1.00 15.00 B N +ATOM 693 HZ1 LYS B 72 -6.408 34.395 -15.049 1.00 15.00 B H +ATOM 694 HZ2 LYS B 72 -7.768 35.210 -14.460 1.00 15.00 B H +ATOM 695 HZ3 LYS B 72 -7.906 34.204 -15.813 1.00 15.00 B H +ATOM 696 C LYS B 72 -9.800 27.861 -13.135 1.00 15.00 B C +ATOM 697 O LYS B 72 -10.075 27.282 -14.186 1.00 15.00 B O +ATOM 698 N ASP B 73 -10.579 27.825 -12.041 1.00 15.00 B N +ATOM 699 HN ASP B 73 -10.261 28.287 -11.237 1.00 15.00 B H +ATOM 700 CA ASP B 73 -11.876 27.140 -11.969 1.00 15.00 B C +ATOM 701 CB ASP B 73 -12.970 27.945 -12.704 1.00 15.00 B C +ATOM 702 CG ASP B 73 -13.145 29.359 -12.169 1.00 15.00 B C +ATOM 703 OD1 ASP B 73 -13.328 29.513 -10.934 1.00 15.00 B O +ATOM 704 OD2 ASP B 73 -13.100 30.308 -12.980 1.00 15.00 B O +ATOM 705 C ASP B 73 -11.748 25.677 -12.471 1.00 15.00 B C +ATOM 706 O ASP B 73 -12.500 25.223 -13.335 1.00 15.00 B O +ATOM 707 N ASP B 74 -10.712 24.990 -11.955 1.00 15.00 B N +ATOM 708 HN ASP B 74 -10.147 25.480 -11.322 1.00 15.00 B H +ATOM 709 CA ASP B 74 -10.321 23.599 -12.221 1.00 15.00 B C +ATOM 710 CB ASP B 74 -11.428 22.617 -11.815 1.00 15.00 B C +ATOM 711 CG ASP B 74 -11.852 22.770 -10.376 1.00 15.00 B C +ATOM 712 OD1 ASP B 74 -11.000 22.561 -9.479 1.00 15.00 B O +ATOM 713 OD2 ASP B 74 -13.030 23.103 -10.144 1.00 15.00 B O +ATOM 714 C ASP B 74 -9.850 23.338 -13.662 1.00 15.00 B C +ATOM 715 O ASP B 74 -9.673 22.185 -14.038 1.00 15.00 B O +ATOM 716 N LYS B 75 -9.639 24.384 -14.460 1.00 15.00 B N +ATOM 717 HN LYS B 75 -9.793 25.290 -14.120 1.00 15.00 B H +ATOM 718 CA LYS B 75 -9.181 24.199 -15.836 1.00 15.00 B C +ATOM 719 CB LYS B 75 -10.189 24.785 -16.842 1.00 15.00 B C +ATOM 720 CG LYS B 75 -9.911 24.378 -18.290 1.00 15.00 B C +ATOM 721 CD LYS B 75 -11.002 24.843 -19.253 1.00 15.00 B C +ATOM 722 CE LYS B 75 -10.613 24.569 -20.685 1.00 15.00 B C +ATOM 723 NZ LYS B 75 -11.621 25.089 -21.650 1.00 15.00 B N +ATOM 724 HZ1 LYS B 75 -11.723 26.118 -21.540 1.00 15.00 B H +ATOM 725 HZ2 LYS B 75 -12.543 24.640 -21.480 1.00 15.00 B H +ATOM 726 HZ3 LYS B 75 -11.322 24.883 -22.625 1.00 15.00 B H +ATOM 727 C LYS B 75 -7.769 24.778 -16.072 1.00 15.00 B C +ATOM 728 O LYS B 75 -7.565 25.969 -15.823 1.00 15.00 B O +ATOM 729 N PRO B 76 -6.792 23.964 -16.558 1.00 15.00 B N +ATOM 730 CA PRO B 76 -5.470 24.513 -16.900 1.00 15.00 B C +ATOM 731 CB PRO B 76 -4.765 23.315 -17.550 1.00 15.00 B C +ATOM 732 CG PRO B 76 -5.430 22.129 -16.946 1.00 15.00 B C +ATOM 733 CD PRO B 76 -6.864 22.529 -16.899 1.00 15.00 B C +ATOM 734 C PRO B 76 -5.654 25.667 -17.892 1.00 15.00 B C +ATOM 735 O PRO B 76 -6.340 25.512 -18.908 1.00 15.00 B O +ATOM 736 N THR B 77 -5.137 26.849 -17.541 1.00 15.00 B N +ATOM 737 HN THR B 77 -4.589 26.905 -16.730 1.00 15.00 B H +ATOM 738 CA THR B 77 -5.362 28.059 -18.326 1.00 15.00 B C +ATOM 739 CB THR B 77 -6.339 28.978 -17.552 1.00 15.00 B C +ATOM 740 OG1 THR B 77 -7.536 28.257 -17.251 1.00 15.00 B O +ATOM 741 HG1 THR B 77 -7.632 27.525 -17.865 1.00 15.00 B H +ATOM 742 CG2 THR B 77 -6.677 30.262 -18.296 1.00 15.00 B C +ATOM 743 C THR B 77 -4.074 28.782 -18.694 1.00 15.00 B C +ATOM 744 O THR B 77 -3.242 29.066 -17.826 1.00 15.00 B O +ATOM 745 N LEU B 78 -3.969 29.173 -19.968 1.00 15.00 B N +ATOM 746 HN LEU B 78 -4.672 28.917 -20.600 1.00 15.00 B H +ATOM 747 CA LEU B 78 -2.849 29.965 -20.449 1.00 15.00 B C +ATOM 748 CB LEU B 78 -2.724 29.853 -21.975 1.00 15.00 B C +ATOM 749 CG LEU B 78 -1.478 30.491 -22.601 1.00 15.00 B C +ATOM 750 CD1 LEU B 78 -0.196 29.723 -22.213 1.00 15.00 B C +ATOM 751 CD2 LEU B 78 -1.618 30.581 -24.120 1.00 15.00 B C +ATOM 752 C LEU B 78 -3.072 31.437 -20.033 1.00 15.00 B C +ATOM 753 O LEU B 78 -4.197 31.947 -20.105 1.00 15.00 B O +ATOM 754 N GLN B 79 -2.004 32.099 -19.592 1.00 15.00 B N +ATOM 755 HN GLN B 79 -1.145 31.627 -19.575 1.00 15.00 B H +ATOM 756 CA GLN B 79 -2.034 33.497 -19.128 1.00 15.00 B C +ATOM 757 CB GLN B 79 -1.941 33.552 -17.578 1.00 15.00 B C +ATOM 758 CG GLN B 79 -3.023 32.827 -16.788 1.00 15.00 B C +ATOM 759 CD GLN B 79 -4.274 33.646 -16.629 1.00 15.00 B C +ATOM 760 OE1 GLN B 79 -5.218 33.557 -17.426 1.00 15.00 B O +ATOM 761 NE2 GLN B 79 -4.321 34.443 -15.579 1.00 15.00 B N +ATOM 762 HE21 GLN B 79 -3.551 34.456 -14.973 1.00 15.00 B H +ATOM 763 HE22 GLN B 79 -5.124 34.990 -15.448 1.00 15.00 B H +ATOM 764 C GLN B 79 -0.792 34.205 -19.661 1.00 15.00 B C +ATOM 765 O GLN B 79 0.179 33.546 -20.012 1.00 15.00 B O +ATOM 766 N LEU B 80 -0.829 35.549 -19.709 1.00 15.00 B N +ATOM 767 HN LEU B 80 -1.689 35.986 -19.535 1.00 15.00 B H +ATOM 768 CA LEU B 80 0.316 36.405 -20.001 1.00 15.00 B C +ATOM 769 CB LEU B 80 0.084 37.332 -21.200 1.00 15.00 B C +ATOM 770 CG LEU B 80 0.869 37.079 -22.486 1.00 15.00 B C +ATOM 771 CD1 LEU B 80 0.625 38.209 -23.469 1.00 15.00 B C +ATOM 772 CD2 LEU B 80 2.385 36.941 -22.232 1.00 15.00 B C +ATOM 773 C LEU B 80 0.456 37.210 -18.719 1.00 15.00 B C +ATOM 774 O LEU B 80 -0.491 37.890 -18.307 1.00 15.00 B O +ATOM 775 N GLU B 81 1.601 37.082 -18.049 1.00 15.00 B N +ATOM 776 HN GLU B 81 2.312 36.544 -18.455 1.00 15.00 B H +ATOM 777 CA GLU B 81 1.864 37.690 -16.752 1.00 15.00 B C +ATOM 778 CB GLU B 81 2.319 36.579 -15.780 1.00 15.00 B C +ATOM 779 CG GLU B 81 1.395 36.272 -14.640 1.00 15.00 B C +ATOM 780 CD GLU B 81 2.066 35.225 -13.778 1.00 15.00 B C +ATOM 781 OE1 GLU B 81 1.773 34.026 -13.972 1.00 15.00 B O +ATOM 782 OE2 GLU B 81 2.956 35.597 -12.983 1.00 15.00 B O +ATOM 783 C GLU B 81 3.000 38.665 -16.821 1.00 15.00 B C +ATOM 784 O GLU B 81 4.044 38.325 -17.373 1.00 15.00 B O +ATOM 785 N SER B 82 2.840 39.834 -16.179 1.00 15.00 B N +ATOM 786 HN SER B 82 1.971 40.023 -15.767 1.00 15.00 B H +ATOM 787 CA SER B 82 3.892 40.835 -16.063 1.00 15.00 B C +ATOM 788 CB SER B 82 3.317 42.187 -15.648 1.00 15.00 B C +ATOM 789 OG SER B 82 2.377 42.668 -16.592 1.00 15.00 B O +ATOM 790 HG SER B 82 2.194 41.983 -17.240 1.00 15.00 B H +ATOM 791 C SER B 82 4.867 40.357 -14.996 1.00 15.00 B C +ATOM 792 O SER B 82 4.432 39.856 -13.972 1.00 15.00 B O +ATOM 793 N VAL B 83 6.177 40.518 -15.220 1.00 15.00 B N +ATOM 794 HN VAL B 83 6.476 40.917 -16.064 1.00 15.00 B H +ATOM 795 CA VAL B 83 7.176 40.106 -14.221 1.00 15.00 B C +ATOM 796 CB VAL B 83 8.006 38.868 -14.655 1.00 15.00 B C +ATOM 797 CG1 VAL B 83 7.133 37.622 -14.814 1.00 15.00 B C +ATOM 798 CG2 VAL B 83 8.822 39.156 -15.919 1.00 15.00 B C +ATOM 799 C VAL B 83 8.085 41.263 -13.818 1.00 15.00 B C +ATOM 800 O VAL B 83 8.213 42.257 -14.552 1.00 15.00 B O +ATOM 801 N ASP B 84 8.780 41.087 -12.680 1.00 15.00 B N +ATOM 802 HN ASP B 84 8.635 40.262 -12.172 1.00 15.00 B H +ATOM 803 CA ASP B 84 9.732 42.051 -12.164 1.00 15.00 B C +ATOM 804 CB ASP B 84 10.190 41.623 -10.761 1.00 15.00 B C +ATOM 805 CG ASP B 84 10.982 42.663 -9.991 1.00 15.00 B C +ATOM 806 OD1 ASP B 84 11.400 43.673 -10.604 1.00 15.00 B O +ATOM 807 OD2 ASP B 84 11.227 42.445 -8.796 1.00 15.00 B O +ATOM 808 C ASP B 84 10.929 42.145 -13.134 1.00 15.00 B C +ATOM 809 O ASP B 84 11.630 41.150 -13.321 1.00 15.00 B O +ATOM 810 N PRO B 85 11.175 43.308 -13.782 1.00 15.00 B N +ATOM 811 CA PRO B 85 12.311 43.384 -14.730 1.00 15.00 B C +ATOM 812 CB PRO B 85 12.223 44.805 -15.299 1.00 15.00 B C +ATOM 813 CG PRO B 85 10.851 45.290 -14.969 1.00 15.00 B C +ATOM 814 CD PRO B 85 10.449 44.593 -13.703 1.00 15.00 B C +ATOM 815 C PRO B 85 13.688 43.111 -14.110 1.00 15.00 B C +ATOM 816 O PRO B 85 14.611 42.728 -14.833 1.00 15.00 B O +ATOM 817 N LYS B 86 13.818 43.271 -12.776 1.00 15.00 B N +ATOM 818 HN LYS B 86 13.024 43.521 -12.259 1.00 15.00 B H +ATOM 819 CA LYS B 86 15.088 43.090 -12.058 1.00 15.00 B C +ATOM 820 CB LYS B 86 15.155 44.036 -10.841 1.00 15.00 B C +ATOM 821 CG LYS B 86 15.144 45.511 -11.225 1.00 15.00 B C +ATOM 822 CD LYS B 86 14.779 46.411 -10.052 1.00 15.00 B C +ATOM 823 CE LYS B 86 14.561 47.849 -10.475 1.00 15.00 B C +ATOM 824 NZ LYS B 86 13.260 48.042 -11.177 1.00 15.00 B N +ATOM 825 HZ1 LYS B 86 12.473 47.774 -10.552 1.00 15.00 B H +ATOM 826 HZ2 LYS B 86 13.224 47.452 -12.033 1.00 15.00 B H +ATOM 827 HZ3 LYS B 86 13.147 49.039 -11.452 1.00 15.00 B H +ATOM 828 C LYS B 86 15.389 41.633 -11.647 1.00 15.00 B C +ATOM 829 O LYS B 86 16.498 41.351 -11.186 1.00 15.00 B O +ATOM 830 N ASN B 87 14.416 40.716 -11.822 1.00 15.00 B N +ATOM 831 HN ASN B 87 13.574 41.010 -12.228 1.00 15.00 B H +ATOM 832 CA ASN B 87 14.541 39.301 -11.441 1.00 15.00 B C +ATOM 833 CB ASN B 87 13.501 38.974 -10.367 1.00 15.00 B C +ATOM 834 CG ASN B 87 13.866 39.498 -9.002 1.00 15.00 B C +ATOM 835 OD1 ASN B 87 14.412 38.774 -8.160 1.00 15.00 B O +ATOM 836 ND2 ASN B 87 13.571 40.767 -8.750 1.00 15.00 B N +ATOM 837 HD21 ASN B 87 13.137 41.290 -9.456 1.00 15.00 B H +ATOM 838 HD22 ASN B 87 13.799 41.129 -7.868 1.00 15.00 B H +ATOM 839 C ASN B 87 14.417 38.303 -12.614 1.00 15.00 B C +ATOM 840 O ASN B 87 14.640 37.102 -12.419 1.00 15.00 B O +ATOM 841 N TYR B 88 14.034 38.791 -13.812 1.00 15.00 B N +ATOM 842 HN TYR B 88 13.885 39.756 -13.894 1.00 15.00 B H +ATOM 843 CA TYR B 88 13.830 37.954 -14.995 1.00 15.00 B C +ATOM 844 CB TYR B 88 12.337 37.886 -15.370 1.00 15.00 B C +ATOM 845 CG TYR B 88 11.509 37.204 -14.308 1.00 15.00 B C +ATOM 846 CD1 TYR B 88 11.237 35.841 -14.377 1.00 15.00 B C +ATOM 847 CD2 TYR B 88 11.084 37.897 -13.177 1.00 15.00 B C +ATOM 848 CE1 TYR B 88 10.517 35.193 -13.369 1.00 15.00 B C +ATOM 849 CE2 TYR B 88 10.385 37.259 -12.157 1.00 15.00 B C +ATOM 850 CZ TYR B 88 10.097 35.909 -12.260 1.00 15.00 B C +ATOM 851 OH TYR B 88 9.411 35.299 -11.247 1.00 15.00 B O +ATOM 852 HH TYR B 88 8.672 35.851 -10.983 1.00 15.00 B H +ATOM 853 C TYR B 88 14.636 38.436 -16.194 1.00 15.00 B C +ATOM 854 O TYR B 88 14.791 39.647 -16.350 1.00 15.00 B O +ATOM 855 N PRO B 89 15.075 37.520 -17.098 1.00 15.00 B N +ATOM 856 CA PRO B 89 14.964 36.049 -17.026 1.00 15.00 B C +ATOM 857 CB PRO B 89 15.334 35.611 -18.448 1.00 15.00 B C +ATOM 858 CG PRO B 89 16.282 36.650 -18.928 1.00 15.00 B C +ATOM 859 CD PRO B 89 15.826 37.945 -18.297 1.00 15.00 B C +ATOM 860 C PRO B 89 15.884 35.440 -15.958 1.00 15.00 B C +ATOM 861 O PRO B 89 16.852 36.075 -15.537 1.00 15.00 B O +ATOM 862 N LYS B 90 15.533 34.244 -15.466 1.00 15.00 B N +ATOM 863 HN LYS B 90 14.694 33.839 -15.771 1.00 15.00 B H +ATOM 864 CA LYS B 90 16.351 33.516 -14.491 1.00 15.00 B C +ATOM 865 CB LYS B 90 15.950 33.806 -13.032 1.00 15.00 B C +ATOM 866 CG LYS B 90 14.517 33.440 -12.666 1.00 15.00 B C +ATOM 867 CD LYS B 90 14.149 33.919 -11.271 1.00 15.00 B C +ATOM 868 CE LYS B 90 12.721 33.569 -10.922 1.00 15.00 B C +ATOM 869 NZ LYS B 90 12.362 33.995 -9.532 1.00 15.00 B N +ATOM 870 HZ1 LYS B 90 11.375 33.740 -9.324 1.00 15.00 B H +ATOM 871 HZ2 LYS B 90 12.470 35.024 -9.434 1.00 15.00 B H +ATOM 872 HZ3 LYS B 90 12.984 33.526 -8.843 1.00 15.00 B H +ATOM 873 C LYS B 90 16.333 32.024 -14.837 1.00 15.00 B C +ATOM 874 O LYS B 90 15.356 31.551 -15.421 1.00 15.00 B O +ATOM 875 N LYS B 91 17.429 31.311 -14.530 1.00 15.00 B N +ATOM 876 HN LYS B 91 18.165 31.781 -14.084 1.00 15.00 B H +ATOM 877 CA LYS B 91 17.609 29.881 -14.812 1.00 15.00 B C +ATOM 878 CB LYS B 91 19.006 29.421 -14.370 1.00 15.00 B C +ATOM 879 CG LYS B 91 19.811 28.777 -15.497 1.00 15.00 B C +ATOM 880 CD LYS B 91 21.323 28.937 -15.304 1.00 15.00 B C +ATOM 881 CE LYS B 91 21.867 30.209 -15.920 1.00 15.00 B C +ATOM 882 NZ LYS B 91 23.351 30.261 -15.872 1.00 15.00 B N +ATOM 883 HZ1 LYS B 91 23.692 31.145 -16.302 1.00 15.00 B H +ATOM 884 HZ2 LYS B 91 23.754 29.457 -16.394 1.00 15.00 B H +ATOM 885 HZ3 LYS B 91 23.678 30.219 -14.886 1.00 15.00 B H +ATOM 886 C LYS B 91 16.534 29.022 -14.148 1.00 15.00 B C +ATOM 887 O LYS B 91 15.988 28.118 -14.782 1.00 15.00 B O +ATOM 888 N LYS B 92 16.237 29.314 -12.882 1.00 15.00 B N +ATOM 889 HN LYS B 92 16.728 30.036 -12.437 1.00 15.00 B H +ATOM 890 CA LYS B 92 15.212 28.602 -12.136 1.00 15.00 B C +ATOM 891 CB LYS B 92 15.690 28.272 -10.711 1.00 15.00 B C +ATOM 892 CG LYS B 92 14.782 27.254 -10.029 1.00 15.00 B C +ATOM 893 CD LYS B 92 15.100 27.073 -8.557 1.00 15.00 B C +ATOM 894 CE LYS B 92 13.845 26.855 -7.748 1.00 15.00 B C +ATOM 895 NZ LYS B 92 13.113 25.627 -8.151 1.00 15.00 B N +ATOM 896 HZ1 LYS B 92 13.719 24.791 -8.022 1.00 15.00 B H +ATOM 897 HZ2 LYS B 92 12.835 25.688 -9.151 1.00 15.00 B H +ATOM 898 HZ3 LYS B 92 12.257 25.515 -7.571 1.00 15.00 B H +ATOM 899 C LYS B 92 13.926 29.433 -12.136 1.00 15.00 B C +ATOM 900 O LYS B 92 13.750 30.330 -11.301 1.00 15.00 B O +ATOM 901 N MET B 93 13.033 29.134 -13.086 1.00 15.00 B N +ATOM 902 HN MET B 93 13.243 28.425 -13.729 1.00 15.00 B H +ATOM 903 CA MET B 93 11.753 29.833 -13.194 1.00 15.00 B C +ATOM 904 CB MET B 93 11.253 29.805 -14.654 1.00 15.00 B C +ATOM 905 CG MET B 93 12.062 30.674 -15.596 1.00 15.00 B C +ATOM 906 SD MET B 93 11.889 32.456 -15.336 1.00 15.00 B S +ATOM 907 CE MET B 93 10.307 32.752 -16.116 1.00 15.00 B C +ATOM 908 C MET B 93 10.715 29.178 -12.288 1.00 15.00 B C +ATOM 909 O MET B 93 10.802 27.980 -12.025 1.00 15.00 B O +ATOM 910 N GLU B 94 9.701 29.941 -11.862 1.00 15.00 B N +ATOM 911 HN GLU B 94 9.709 30.898 -12.075 1.00 15.00 B H +ATOM 912 CA GLU B 94 8.579 29.399 -11.089 1.00 15.00 B C +ATOM 913 CB GLU B 94 7.619 30.505 -10.632 1.00 15.00 B C +ATOM 914 CG GLU B 94 8.183 31.364 -9.514 1.00 15.00 B C +ATOM 915 CD GLU B 94 9.217 32.402 -9.913 1.00 15.00 B C +ATOM 916 OE1 GLU B 94 9.410 32.646 -11.130 1.00 15.00 B O +ATOM 917 OE2 GLU B 94 9.809 33.005 -8.990 1.00 15.00 B O +ATOM 918 C GLU B 94 7.887 28.383 -12.012 1.00 15.00 B C +ATOM 919 O GLU B 94 7.865 28.584 -13.221 1.00 15.00 B O +ATOM 920 N LYS B 95 7.425 27.256 -11.458 1.00 15.00 B N +ATOM 921 HN LYS B 95 7.421 27.185 -10.481 1.00 15.00 B H +ATOM 922 CA LYS B 95 6.923 26.117 -12.244 1.00 15.00 B C +ATOM 923 CB LYS B 95 6.383 24.997 -11.329 1.00 15.00 B C +ATOM 924 CG LYS B 95 6.293 23.604 -11.982 1.00 15.00 B C +ATOM 925 CD LYS B 95 7.615 23.100 -12.571 1.00 15.00 B C +ATOM 926 CE LYS B 95 8.298 22.054 -11.730 1.00 15.00 B C +ATOM 927 NZ LYS B 95 9.624 21.693 -12.295 1.00 15.00 B N +ATOM 928 HZ1 LYS B 95 10.237 22.533 -12.333 1.00 15.00 B H +ATOM 929 HZ2 LYS B 95 9.512 21.316 -13.257 1.00 15.00 B H +ATOM 930 HZ3 LYS B 95 10.080 20.970 -11.702 1.00 15.00 B H +ATOM 931 C LYS B 95 5.890 26.472 -13.321 1.00 15.00 B C +ATOM 932 O LYS B 95 5.936 25.877 -14.397 1.00 15.00 B O +ATOM 933 N ARG B 96 4.978 27.430 -13.051 1.00 15.00 B N +ATOM 934 HN ARG B 96 5.018 27.897 -12.190 1.00 15.00 B H +ATOM 935 CA ARG B 96 3.921 27.794 -14.018 1.00 15.00 B C +ATOM 936 CB ARG B 96 2.902 28.760 -13.382 1.00 15.00 B C +ATOM 937 CG ARG B 96 3.439 30.191 -13.164 1.00 15.00 B C +ATOM 938 CD ARG B 96 2.482 30.984 -12.308 1.00 15.00 B C +ATOM 939 NE ARG B 96 2.947 32.355 -12.063 1.00 15.00 B N +ATOM 940 HE ARG B 96 2.616 33.053 -12.667 1.00 15.00 B H +ATOM 941 CZ ARG B 96 3.777 32.709 -11.088 1.00 15.00 B C +ATOM 942 NH1 ARG B 96 4.283 31.792 -10.269 1.00 15.00 B N +ATOM 943 HH11 ARG B 96 4.030 30.791 -10.390 1.00 15.00 B H +ATOM 944 HH12 ARG B 96 4.932 32.076 -9.508 1.00 15.00 B H +ATOM 945 NH2 ARG B 96 4.124 33.975 -10.936 1.00 15.00 B N +ATOM 946 HH21 ARG B 96 3.747 34.699 -11.581 1.00 15.00 B H +ATOM 947 HH22 ARG B 96 4.774 34.248 -10.171 1.00 15.00 B H +ATOM 948 C ARG B 96 4.439 28.351 -15.361 1.00 15.00 B C +ATOM 949 O ARG B 96 3.712 28.294 -16.355 1.00 15.00 B O +ATOM 950 N PHE B 97 5.681 28.890 -15.389 1.00 15.00 B N +ATOM 951 HN PHE B 97 6.202 28.891 -14.559 1.00 15.00 B H +ATOM 952 CA PHE B 97 6.292 29.473 -16.589 1.00 15.00 B C +ATOM 953 CB PHE B 97 7.339 30.515 -16.164 1.00 15.00 B C +ATOM 954 CG PHE B 97 6.809 31.717 -15.424 1.00 15.00 B C +ATOM 955 CD1 PHE B 97 5.933 32.605 -16.039 1.00 15.00 B C +ATOM 956 CD2 PHE B 97 7.212 31.982 -14.118 1.00 15.00 B C +ATOM 957 CE1 PHE B 97 5.452 33.731 -15.351 1.00 15.00 B C +ATOM 958 CE2 PHE B 97 6.783 33.139 -13.457 1.00 15.00 B C +ATOM 959 CZ PHE B 97 5.888 33.993 -14.066 1.00 15.00 B C +ATOM 960 C PHE B 97 6.977 28.438 -17.479 1.00 15.00 B C +ATOM 961 O PHE B 97 7.409 28.770 -18.574 1.00 15.00 B O +ATOM 962 N VAL B 98 7.121 27.209 -17.000 1.00 15.00 B N +ATOM 963 HN VAL B 98 6.707 26.979 -16.142 1.00 15.00 B H +ATOM 964 CA VAL B 98 7.879 26.194 -17.717 1.00 15.00 B C +ATOM 965 CB VAL B 98 8.633 25.247 -16.735 1.00 15.00 B C +ATOM 966 CG1 VAL B 98 9.544 24.255 -17.482 1.00 15.00 B C +ATOM 967 CG2 VAL B 98 9.427 26.049 -15.709 1.00 15.00 B C +ATOM 968 C VAL B 98 7.031 25.425 -18.724 1.00 15.00 B C +ATOM 969 O VAL B 98 5.970 24.906 -18.392 1.00 15.00 B O +ATOM 970 N PHE B 99 7.519 25.365 -19.955 1.00 15.00 B N +ATOM 971 HN PHE B 99 8.326 25.882 -20.158 1.00 15.00 B H +ATOM 972 CA PHE B 99 6.922 24.573 -21.023 1.00 15.00 B C +ATOM 973 CB PHE B 99 6.505 25.445 -22.217 1.00 15.00 B C +ATOM 974 CG PHE B 99 5.386 26.392 -21.895 1.00 15.00 B C +ATOM 975 CD1 PHE B 99 5.651 27.659 -21.375 1.00 15.00 B C +ATOM 976 CD2 PHE B 99 4.059 26.002 -22.048 1.00 15.00 B C +ATOM 977 CE1 PHE B 99 4.612 28.533 -21.051 1.00 15.00 B C +ATOM 978 CE2 PHE B 99 3.015 26.877 -21.706 1.00 15.00 B C +ATOM 979 CZ PHE B 99 3.299 28.140 -21.226 1.00 15.00 B C +ATOM 980 C PHE B 99 7.941 23.536 -21.465 1.00 15.00 B C +ATOM 981 O PHE B 99 9.144 23.813 -21.465 1.00 15.00 B O +ATOM 982 N ASN B 100 7.470 22.339 -21.808 1.00 15.00 B N +ATOM 983 HN ASN B 100 6.515 22.155 -21.688 1.00 15.00 B H +ATOM 984 CA ASN B 100 8.317 21.298 -22.352 1.00 15.00 B C +ATOM 985 CB ASN B 100 7.838 19.909 -21.922 1.00 15.00 B C +ATOM 986 CG ASN B 100 7.925 19.612 -20.447 1.00 15.00 B C +ATOM 987 OD1 ASN B 100 7.053 18.940 -19.883 1.00 15.00 B O +ATOM 988 ND2 ASN B 100 8.990 20.063 -19.794 1.00 15.00 B N +ATOM 989 HD21 ASN B 100 9.664 20.564 -20.298 1.00 15.00 B H +ATOM 990 HD22 ASN B 100 9.058 19.876 -18.834 1.00 15.00 B H +ATOM 991 C ASN B 100 8.221 21.468 -23.865 1.00 15.00 B C +ATOM 992 O ASN B 100 7.153 21.244 -24.439 1.00 15.00 B O +ATOM 993 N LYS B 101 9.304 21.946 -24.500 1.00 15.00 B N +ATOM 994 HN LYS B 101 10.099 22.170 -23.972 1.00 15.00 B H +ATOM 995 CA LYS B 101 9.343 22.146 -25.953 1.00 15.00 B C +ATOM 996 CB LYS B 101 10.417 23.178 -26.335 1.00 15.00 B C +ATOM 997 CG LYS B 101 10.598 23.382 -27.846 1.00 15.00 B C +ATOM 998 CD LYS B 101 11.571 24.513 -28.182 1.00 15.00 B C +ATOM 999 CE LYS B 101 13.019 24.221 -27.866 1.00 15.00 B C +ATOM 1000 NZ LYS B 101 13.577 23.153 -28.735 1.00 15.00 B N +ATOM 1001 HZ1 LYS B 101 13.040 22.271 -28.608 1.00 15.00 B H +ATOM 1002 HZ2 LYS B 101 14.572 22.977 -28.491 1.00 15.00 B H +ATOM 1003 HZ3 LYS B 101 13.522 23.439 -29.733 1.00 15.00 B H +ATOM 1004 C LYS B 101 9.616 20.791 -26.608 1.00 15.00 B C +ATOM 1005 O LYS B 101 10.673 20.195 -26.383 1.00 15.00 B O +ATOM 1006 N ILE B 102 8.653 20.317 -27.410 1.00 15.00 B N +ATOM 1007 HN ILE B 102 7.855 20.870 -27.546 1.00 15.00 B H +ATOM 1008 CA ILE B 102 8.718 19.028 -28.094 1.00 15.00 B C +ATOM 1009 CB ILE B 102 7.478 18.141 -27.757 1.00 15.00 B C +ATOM 1010 CG1 ILE B 102 7.249 18.027 -26.228 1.00 15.00 B C +ATOM 1011 CG2 ILE B 102 7.575 16.749 -28.408 1.00 15.00 B C +ATOM 1012 CD1 ILE B 102 5.780 17.894 -25.817 1.00 15.00 B C +ATOM 1013 C ILE B 102 8.891 19.228 -29.599 1.00 15.00 B C +ATOM 1014 O ILE B 102 8.119 19.969 -30.215 1.00 15.00 B O +ATOM 1015 N GLU B 103 9.910 18.573 -30.176 1.00 15.00 B N +ATOM 1016 HN GLU B 103 10.509 18.057 -29.597 1.00 15.00 B H +ATOM 1017 CA GLU B 103 10.185 18.579 -31.616 1.00 15.00 B C +ATOM 1018 CB GLU B 103 11.705 18.555 -31.900 1.00 15.00 B C +ATOM 1019 CG GLU B 103 12.405 19.870 -31.615 1.00 15.00 B C +ATOM 1020 CD GLU B 103 13.907 19.774 -31.439 1.00 15.00 B C +ATOM 1021 OE1 GLU B 103 14.353 19.454 -30.313 1.00 15.00 B O +ATOM 1022 OE2 GLU B 103 14.638 20.042 -32.419 1.00 15.00 B O +ATOM 1023 C GLU B 103 9.511 17.321 -32.176 1.00 15.00 B C +ATOM 1024 O GLU B 103 9.895 16.199 -31.820 1.00 15.00 B O +ATOM 1025 N ILE B 104 8.447 17.516 -32.976 1.00 15.00 B N +ATOM 1026 HN ILE B 104 8.172 18.436 -33.171 1.00 15.00 B H +ATOM 1027 CA ILE B 104 7.678 16.416 -33.571 1.00 15.00 B C +ATOM 1028 CB ILE B 104 6.478 15.970 -32.673 1.00 15.00 B C +ATOM 1029 CG1 ILE B 104 5.645 14.844 -33.342 1.00 15.00 B C +ATOM 1030 CG2 ILE B 104 5.605 17.158 -32.228 1.00 15.00 B C +ATOM 1031 CD1 ILE B 104 5.026 13.835 -32.375 1.00 15.00 B C +ATOM 1032 C ILE B 104 7.281 16.746 -35.010 1.00 15.00 B C +ATOM 1033 O ILE B 104 6.626 17.764 -35.259 1.00 15.00 B O +ATOM 1034 N ASN B 105 7.710 15.875 -35.953 1.00 15.00 B N +ATOM 1035 HN ASN B 105 8.236 15.109 -35.641 1.00 15.00 B H +ATOM 1036 CA ASN B 105 7.464 15.966 -37.395 1.00 15.00 B C +ATOM 1037 CB ASN B 105 6.030 15.518 -37.749 1.00 15.00 B C +ATOM 1038 CG ASN B 105 5.724 14.076 -37.410 1.00 15.00 B C +ATOM 1039 OD1 ASN B 105 6.420 13.143 -37.833 1.00 15.00 B O +ATOM 1040 ND2 ASN B 105 4.646 13.860 -36.668 1.00 15.00 B N +ATOM 1041 HD21 ASN B 105 4.116 14.634 -36.385 1.00 15.00 B H +ATOM 1042 HD22 ASN B 105 4.424 12.935 -36.433 1.00 15.00 B H +ATOM 1043 C ASN B 105 7.799 17.353 -37.963 1.00 15.00 B C +ATOM 1044 O ASN B 105 6.938 18.016 -38.549 1.00 15.00 B O +ATOM 1045 N ASN B 106 9.060 17.794 -37.746 1.00 15.00 B N +ATOM 1046 HN ASN B 106 9.654 17.197 -37.244 1.00 15.00 B H +ATOM 1047 CA ASN B 106 9.634 19.079 -38.186 1.00 15.00 B C +ATOM 1048 CB ASN B 106 9.823 19.120 -39.709 1.00 15.00 B C +ATOM 1049 CG ASN B 106 11.220 18.761 -40.127 1.00 15.00 B C +ATOM 1050 OD1 ASN B 106 12.150 19.568 -40.016 1.00 15.00 B O +ATOM 1051 ND2 ASN B 106 11.398 17.541 -40.612 1.00 15.00 B N +ATOM 1052 HD21 ASN B 106 10.620 16.948 -40.671 1.00 15.00 B H +ATOM 1053 HD22 ASN B 106 12.301 17.281 -40.892 1.00 15.00 B H +ATOM 1054 C ASN B 106 8.862 20.316 -37.684 1.00 15.00 B C +ATOM 1055 O ASN B 106 9.001 21.407 -38.241 1.00 15.00 B O +ATOM 1056 N LYS B 107 8.070 20.135 -36.612 1.00 15.00 B N +ATOM 1057 HN LYS B 107 8.026 19.235 -36.227 1.00 15.00 B H +ATOM 1058 CA LYS B 107 7.271 21.179 -35.979 1.00 15.00 B C +ATOM 1059 CB LYS B 107 5.757 20.941 -36.194 1.00 15.00 B C +ATOM 1060 CG LYS B 107 5.303 20.789 -37.653 1.00 15.00 B C +ATOM 1061 CD LYS B 107 5.213 22.101 -38.423 1.00 15.00 B C +ATOM 1062 CE LYS B 107 3.834 22.708 -38.382 1.00 15.00 B C +ATOM 1063 NZ LYS B 107 3.549 23.496 -39.608 1.00 15.00 B N +ATOM 1064 HZ1 LYS B 107 4.239 24.268 -39.705 1.00 15.00 B H +ATOM 1065 HZ2 LYS B 107 2.594 23.904 -39.557 1.00 15.00 B H +ATOM 1066 HZ3 LYS B 107 3.608 22.885 -40.448 1.00 15.00 B H +ATOM 1067 C LYS B 107 7.587 21.233 -34.487 1.00 15.00 B C +ATOM 1068 O LYS B 107 8.347 20.402 -33.968 1.00 15.00 B O +ATOM 1069 N LEU B 108 6.994 22.214 -33.799 1.00 15.00 B N +ATOM 1070 HN LEU B 108 6.404 22.829 -34.283 1.00 15.00 B H +ATOM 1071 CA LEU B 108 7.178 22.417 -32.366 1.00 15.00 B C +ATOM 1072 CB LEU B 108 7.825 23.789 -32.116 1.00 15.00 B C +ATOM 1073 CG LEU B 108 9.300 23.868 -31.686 1.00 15.00 B C +ATOM 1074 CD1 LEU B 108 10.120 22.685 -32.141 1.00 15.00 B C +ATOM 1075 CD2 LEU B 108 9.915 25.137 -32.179 1.00 15.00 B C +ATOM 1076 C LEU B 108 5.867 22.352 -31.632 1.00 15.00 B C +ATOM 1077 O LEU B 108 4.848 22.841 -32.121 1.00 15.00 B O +ATOM 1078 N GLU B 109 5.901 21.761 -30.444 1.00 15.00 B N +ATOM 1079 HN GLU B 109 6.741 21.343 -30.161 1.00 15.00 B H +ATOM 1080 CA GLU B 109 4.768 21.696 -29.538 1.00 15.00 B C +ATOM 1081 CB GLU B 109 4.234 20.271 -29.395 1.00 15.00 B C +ATOM 1082 CG GLU B 109 3.482 19.773 -30.615 1.00 15.00 B C +ATOM 1083 CD GLU B 109 2.786 18.435 -30.465 1.00 15.00 B C +ATOM 1084 OE1 GLU B 109 2.996 17.760 -29.432 1.00 15.00 B O +ATOM 1085 OE2 GLU B 109 2.053 18.044 -31.402 1.00 15.00 B O +ATOM 1086 C GLU B 109 5.279 22.192 -28.201 1.00 15.00 B C +ATOM 1087 O GLU B 109 6.431 21.929 -27.849 1.00 15.00 B O +ATOM 1088 N PHE B 110 4.445 22.925 -27.472 1.00 15.00 B N +ATOM 1089 HN PHE B 110 3.553 23.126 -27.825 1.00 15.00 B H +ATOM 1090 CA PHE B 110 4.824 23.443 -26.151 1.00 15.00 B C +ATOM 1091 CB PHE B 110 4.869 24.974 -26.150 1.00 15.00 B C +ATOM 1092 CG PHE B 110 5.874 25.576 -27.102 1.00 15.00 B C +ATOM 1093 CD1 PHE B 110 7.208 25.731 -26.729 1.00 15.00 B C +ATOM 1094 CD2 PHE B 110 5.493 25.973 -28.380 1.00 15.00 B C +ATOM 1095 CE1 PHE B 110 8.132 26.308 -27.604 1.00 15.00 B C +ATOM 1096 CE2 PHE B 110 6.423 26.537 -29.261 1.00 15.00 B C +ATOM 1097 CZ PHE B 110 7.738 26.696 -28.869 1.00 15.00 B C +ATOM 1098 C PHE B 110 3.844 22.922 -25.113 1.00 15.00 B C +ATOM 1099 O PHE B 110 2.715 23.424 -25.016 1.00 15.00 B O +ATOM 1100 N GLU B 111 4.258 21.879 -24.380 1.00 15.00 B N +ATOM 1101 HN GLU B 111 5.155 21.521 -24.547 1.00 15.00 B H +ATOM 1102 CA GLU B 111 3.440 21.247 -23.343 1.00 15.00 B C +ATOM 1103 CB GLU B 111 3.849 19.760 -23.195 1.00 15.00 B C +ATOM 1104 CG GLU B 111 3.014 18.953 -22.204 1.00 15.00 B C +ATOM 1105 CD GLU B 111 3.518 17.549 -21.909 1.00 15.00 B C +ATOM 1106 OE1 GLU B 111 4.731 17.387 -21.636 1.00 15.00 B O +ATOM 1107 OE2 GLU B 111 2.686 16.614 -21.909 1.00 15.00 B O +ATOM 1108 C GLU B 111 3.658 21.970 -22.020 1.00 15.00 B C +ATOM 1109 O GLU B 111 4.800 22.197 -21.650 1.00 15.00 B O +ATOM 1110 N SER B 112 2.584 22.292 -21.277 1.00 15.00 B N +ATOM 1111 HN SER B 112 1.682 22.118 -21.618 1.00 15.00 B H +ATOM 1112 CA SER B 112 2.763 22.902 -19.958 1.00 15.00 B C +ATOM 1113 CB SER B 112 1.414 23.283 -19.351 1.00 15.00 B C +ATOM 1114 OG SER B 112 1.582 23.677 -17.996 1.00 15.00 B O +ATOM 1115 HG SER B 112 1.571 24.635 -17.937 1.00 15.00 B H +ATOM 1116 C SER B 112 3.459 21.870 -19.061 1.00 15.00 B C +ATOM 1117 O SER B 112 3.002 20.725 -19.002 1.00 15.00 B O +ATOM 1118 N ALA B 113 4.572 22.249 -18.385 1.00 15.00 B N +ATOM 1119 HN ALA B 113 4.911 23.163 -18.484 1.00 15.00 B H +ATOM 1120 CA ALA B 113 5.279 21.301 -17.501 1.00 15.00 B C +ATOM 1121 CB ALA B 113 6.546 21.924 -16.928 1.00 15.00 B C +ATOM 1122 C ALA B 113 4.408 20.739 -16.363 1.00 15.00 B C +ATOM 1123 O ALA B 113 4.506 19.554 -16.065 1.00 15.00 B O +ATOM 1124 N GLN B 114 3.547 21.563 -15.747 1.00 15.00 B N +ATOM 1125 HN GLN B 114 3.456 22.492 -16.044 1.00 15.00 B H +ATOM 1126 CA GLN B 114 2.743 21.067 -14.628 1.00 15.00 B C +ATOM 1127 CB GLN B 114 2.564 22.131 -13.539 1.00 15.00 B C +ATOM 1128 CG GLN B 114 1.637 23.301 -13.889 1.00 15.00 B C +ATOM 1129 CD GLN B 114 1.612 24.320 -12.774 1.00 15.00 B C +ATOM 1130 OE1 GLN B 114 1.961 24.016 -11.641 1.00 15.00 B O +ATOM 1131 NE2 GLN B 114 1.147 25.533 -13.043 1.00 15.00 B N +ATOM 1132 HE21 GLN B 114 0.838 25.719 -13.954 1.00 15.00 B H +ATOM 1133 HE22 GLN B 114 1.131 26.194 -12.319 1.00 15.00 B H +ATOM 1134 C GLN B 114 1.409 20.469 -15.039 1.00 15.00 B C +ATOM 1135 O GLN B 114 0.767 19.829 -14.218 1.00 15.00 B O +ATOM 1136 N PHE B 115 0.983 20.701 -16.288 1.00 15.00 B N +ATOM 1137 HN PHE B 115 1.518 21.281 -16.869 1.00 15.00 B H +ATOM 1138 CA PHE B 115 -0.246 20.123 -16.813 1.00 15.00 B C +ATOM 1139 CB PHE B 115 -1.259 21.218 -17.196 1.00 15.00 B C +ATOM 1140 CG PHE B 115 -1.585 22.222 -16.119 1.00 15.00 B C +ATOM 1141 CD1 PHE B 115 -2.329 21.854 -15.002 1.00 15.00 B C +ATOM 1142 CD2 PHE B 115 -1.208 23.555 -16.250 1.00 15.00 B C +ATOM 1143 CE1 PHE B 115 -2.644 22.789 -14.013 1.00 15.00 B C +ATOM 1144 CE2 PHE B 115 -1.551 24.495 -15.272 1.00 15.00 B C +ATOM 1145 CZ PHE B 115 -2.264 24.102 -14.156 1.00 15.00 B C +ATOM 1146 C PHE B 115 0.116 19.260 -18.026 1.00 15.00 B C +ATOM 1147 O PHE B 115 -0.076 19.709 -19.161 1.00 15.00 B O +ATOM 1148 N PRO B 116 0.696 18.050 -17.837 1.00 15.00 B N +ATOM 1149 CA PRO B 116 1.023 17.211 -19.003 1.00 15.00 B C +ATOM 1150 CB PRO B 116 1.537 15.914 -18.371 1.00 15.00 B C +ATOM 1151 CG PRO B 116 2.034 16.326 -17.024 1.00 15.00 B C +ATOM 1152 CD PRO B 116 1.031 17.345 -16.580 1.00 15.00 B C +ATOM 1153 C PRO B 116 -0.214 16.948 -19.846 1.00 15.00 B C +ATOM 1154 O PRO B 116 -1.326 16.871 -19.305 1.00 15.00 B O +ATOM 1155 N ASN B 117 -0.023 16.837 -21.173 1.00 15.00 B N +ATOM 1156 HN ASN B 117 0.894 16.920 -21.509 1.00 15.00 B H +ATOM 1157 CA ASN B 117 -1.092 16.599 -22.159 1.00 15.00 B C +ATOM 1158 CB ASN B 117 -2.009 15.425 -21.744 1.00 15.00 B C +ATOM 1159 CG ASN B 117 -1.232 14.180 -21.385 1.00 15.00 B C +ATOM 1160 OD1 ASN B 117 -1.261 13.703 -20.243 1.00 15.00 B O +ATOM 1161 ND2 ASN B 117 -0.431 13.697 -22.321 1.00 15.00 B N +ATOM 1162 HD21 ASN B 117 -0.387 14.166 -23.180 1.00 15.00 B H +ATOM 1163 HD22 ASN B 117 0.086 12.890 -22.117 1.00 15.00 B H +ATOM 1164 C ASN B 117 -1.895 17.867 -22.488 1.00 15.00 B C +ATOM 1165 O ASN B 117 -2.883 17.788 -23.224 1.00 15.00 B O +ATOM 1166 N TRP B 118 -1.459 19.036 -21.954 1.00 15.00 B N +ATOM 1167 HN TRP B 118 -0.707 19.003 -21.326 1.00 15.00 B H +ATOM 1168 CA TRP B 118 -2.042 20.343 -22.257 1.00 15.00 B C +ATOM 1169 CB TRP B 118 -2.570 21.037 -21.004 1.00 15.00 B C +ATOM 1170 CG TRP B 118 -3.804 20.391 -20.449 1.00 15.00 B C +ATOM 1171 CD1 TRP B 118 -3.872 19.235 -19.727 1.00 15.00 B C +ATOM 1172 CD2 TRP B 118 -5.139 20.909 -20.506 1.00 15.00 B C +ATOM 1173 NE1 TRP B 118 -5.175 18.982 -19.357 1.00 15.00 B N +ATOM 1174 HE1 TRP B 118 -5.481 18.204 -18.846 1.00 15.00 B H +ATOM 1175 CE2 TRP B 118 -5.974 19.992 -19.830 1.00 15.00 B C +ATOM 1176 CE3 TRP B 118 -5.722 22.031 -21.114 1.00 15.00 B C +ATOM 1177 CZ2 TRP B 118 -7.352 20.190 -19.704 1.00 15.00 B C +ATOM 1178 CZ3 TRP B 118 -7.084 22.238 -20.969 1.00 15.00 B C +ATOM 1179 CH2 TRP B 118 -7.887 21.318 -20.286 1.00 15.00 B C +ATOM 1180 C TRP B 118 -0.974 21.162 -22.971 1.00 15.00 B C +ATOM 1181 O TRP B 118 0.165 21.278 -22.490 1.00 15.00 B O +ATOM 1182 N TYR B 119 -1.349 21.709 -24.142 1.00 15.00 B N +ATOM 1183 HN TYR B 119 -2.292 21.640 -24.398 1.00 15.00 B H +ATOM 1184 CA TYR B 119 -0.444 22.397 -25.055 1.00 15.00 B C +ATOM 1185 CB TYR B 119 -0.337 21.560 -26.349 1.00 15.00 B C +ATOM 1186 CG TYR B 119 0.214 20.167 -26.144 1.00 15.00 B C +ATOM 1187 CD1 TYR B 119 1.563 19.893 -26.351 1.00 15.00 B C +ATOM 1188 CD2 TYR B 119 -0.622 19.108 -25.789 1.00 15.00 B C +ATOM 1189 CE1 TYR B 119 2.074 18.606 -26.187 1.00 15.00 B C +ATOM 1190 CE2 TYR B 119 -0.121 17.817 -25.614 1.00 15.00 B C +ATOM 1191 CZ TYR B 119 1.231 17.574 -25.800 1.00 15.00 B C +ATOM 1192 OH TYR B 119 1.729 16.306 -25.639 1.00 15.00 B O +ATOM 1193 HH TYR B 119 1.152 15.677 -26.078 1.00 15.00 B H +ATOM 1194 C TYR B 119 -0.886 23.788 -25.452 1.00 15.00 B C +ATOM 1195 O TYR B 119 -2.090 24.043 -25.543 1.00 15.00 B O +ATOM 1196 N ILE B 120 0.095 24.677 -25.751 1.00 15.00 B N +ATOM 1197 HN ILE B 120 1.027 24.421 -25.590 1.00 15.00 B H +ATOM 1198 CA ILE B 120 -0.185 26.002 -26.304 1.00 15.00 B C +ATOM 1199 CB ILE B 120 1.084 26.865 -26.503 1.00 15.00 B C +ATOM 1200 CG1 ILE B 120 1.730 27.168 -25.124 1.00 15.00 B C +ATOM 1201 CG2 ILE B 120 0.736 28.171 -27.274 1.00 15.00 B C +ATOM 1202 CD1 ILE B 120 2.944 28.079 -25.144 1.00 15.00 B C +ATOM 1203 C ILE B 120 -0.910 25.728 -27.623 1.00 15.00 B C +ATOM 1204 O ILE B 120 -0.420 24.960 -28.455 1.00 15.00 B O +ATOM 1205 N SER B 121 -2.115 26.278 -27.752 1.00 15.00 B N +ATOM 1206 HN SER B 121 -2.427 26.897 -27.059 1.00 15.00 B H +ATOM 1207 CA SER B 121 -2.989 25.996 -28.883 1.00 15.00 B C +ATOM 1208 CB SER B 121 -4.099 25.046 -28.442 1.00 15.00 B C +ATOM 1209 OG SER B 121 -3.591 23.892 -27.794 1.00 15.00 B O +ATOM 1210 HG SER B 121 -3.251 23.279 -28.450 1.00 15.00 B H +ATOM 1211 C SER B 121 -3.624 27.221 -29.514 1.00 15.00 B C +ATOM 1212 O SER B 121 -3.760 28.267 -28.880 1.00 15.00 B O +ATOM 1213 N THR B 122 -4.072 27.055 -30.770 1.00 15.00 B N +ATOM 1214 HN THR B 122 -3.909 26.194 -31.209 1.00 15.00 B H +ATOM 1215 CA THR B 122 -4.783 28.079 -31.513 1.00 15.00 B C +ATOM 1216 CB THR B 122 -3.899 28.696 -32.620 1.00 15.00 B C +ATOM 1217 OG1 THR B 122 -3.507 27.670 -33.528 1.00 15.00 B O +ATOM 1218 HG1 THR B 122 -3.938 27.809 -34.374 1.00 15.00 B H +ATOM 1219 CG2 THR B 122 -2.670 29.413 -32.074 1.00 15.00 B C +ATOM 1220 C THR B 122 -6.058 27.471 -32.095 1.00 15.00 B C +ATOM 1221 O THR B 122 -6.106 26.268 -32.367 1.00 15.00 B O +ATOM 1222 N SER B 123 -7.089 28.305 -32.279 1.00 15.00 B N +ATOM 1223 HN SER B 123 -6.992 29.236 -31.990 1.00 15.00 B H +ATOM 1224 CA SER B 123 -8.357 27.894 -32.891 1.00 15.00 B C +ATOM 1225 CB SER B 123 -9.452 28.900 -32.538 1.00 15.00 B C +ATOM 1226 OG SER B 123 -10.653 28.670 -33.258 1.00 15.00 B O +ATOM 1227 HG SER B 123 -11.278 29.374 -33.071 1.00 15.00 B H +ATOM 1228 C SER B 123 -8.134 27.885 -34.402 1.00 15.00 B C +ATOM 1229 O SER B 123 -7.286 28.637 -34.868 1.00 15.00 B O +ATOM 1230 N GLN B 124 -8.890 27.065 -35.174 1.00 15.00 B N +ATOM 1231 HN GLN B 124 -9.526 26.452 -34.749 1.00 15.00 B H +ATOM 1232 CA GLN B 124 -8.770 27.081 -36.643 1.00 15.00 B C +ATOM 1233 CB GLN B 124 -9.443 25.865 -37.298 1.00 15.00 B C +ATOM 1234 CG GLN B 124 -8.548 24.631 -37.313 1.00 15.00 B C +ATOM 1235 CD GLN B 124 -9.081 23.479 -38.139 1.00 15.00 B C +ATOM 1236 OE1 GLN B 124 -10.285 23.191 -38.178 1.00 15.00 B O +ATOM 1237 NE2 GLN B 124 -8.175 22.751 -38.775 1.00 15.00 B N +ATOM 1238 HE21 GLN B 124 -7.231 22.996 -38.675 1.00 15.00 B H +ATOM 1239 HE22 GLN B 124 -8.486 21.997 -39.319 1.00 15.00 B H +ATOM 1240 C GLN B 124 -9.339 28.397 -37.200 1.00 15.00 B C +ATOM 1241 O GLN B 124 -8.891 28.876 -38.240 1.00 15.00 B O +ATOM 1242 N ALA B 125 -10.295 29.000 -36.462 1.00 15.00 B N +ATOM 1243 HN ALA B 125 -10.590 28.555 -35.640 1.00 15.00 B H +ATOM 1244 CA ALA B 125 -10.920 30.278 -36.812 1.00 15.00 B C +ATOM 1245 CB ALA B 125 -12.198 30.468 -36.010 1.00 15.00 B C +ATOM 1246 C ALA B 125 -9.951 31.452 -36.577 1.00 15.00 B C +ATOM 1247 O ALA B 125 -8.975 31.317 -35.834 1.00 15.00 B O +ATOM 1248 N GLU B 126 -10.225 32.596 -37.226 1.00 15.00 B N +ATOM 1249 HN GLU B 126 -11.036 32.625 -37.775 1.00 15.00 B H +ATOM 1250 CA GLU B 126 -9.396 33.804 -37.171 1.00 15.00 B C +ATOM 1251 CB GLU B 126 -9.633 34.689 -38.417 1.00 15.00 B C +ATOM 1252 CG GLU B 126 -9.269 34.070 -39.756 1.00 15.00 B C +ATOM 1253 CD GLU B 126 -7.806 33.764 -39.989 1.00 15.00 B C +ATOM 1254 OE1 GLU B 126 -6.976 34.698 -39.909 1.00 15.00 B O +ATOM 1255 OE2 GLU B 126 -7.495 32.590 -40.284 1.00 15.00 B O +ATOM 1256 C GLU B 126 -9.640 34.665 -35.948 1.00 15.00 B C +ATOM 1257 O GLU B 126 -10.766 34.739 -35.442 1.00 15.00 B O +ATOM 1258 N ASN B 127 -8.571 35.374 -35.524 1.00 15.00 B N +ATOM 1259 HN ASN B 127 -7.721 35.173 -35.967 1.00 15.00 B H +ATOM 1260 CA ASN B 127 -8.522 36.406 -34.485 1.00 15.00 B C +ATOM 1261 CB ASN B 127 -9.191 37.698 -35.013 1.00 15.00 B C +ATOM 1262 CG ASN B 127 -8.633 38.974 -34.436 1.00 15.00 B C +ATOM 1263 OD1 ASN B 127 -7.430 39.107 -34.170 1.00 15.00 B O +ATOM 1264 ND2 ASN B 127 -9.500 39.954 -34.251 1.00 15.00 B N +ATOM 1265 HD21 ASN B 127 -10.436 39.796 -34.495 1.00 15.00 B H +ATOM 1266 HD22 ASN B 127 -9.171 40.798 -33.877 1.00 15.00 B H +ATOM 1267 C ASN B 127 -9.107 35.974 -33.144 1.00 15.00 B C +ATOM 1268 O ASN B 127 -9.751 36.764 -32.445 1.00 15.00 B O +ATOM 1269 N MET B 128 -8.848 34.718 -32.774 1.00 15.00 B N +ATOM 1270 HN MET B 128 -8.337 34.146 -33.384 1.00 15.00 B H +ATOM 1271 CA MET B 128 -9.289 34.161 -31.507 1.00 15.00 B C +ATOM 1272 CB MET B 128 -9.915 32.772 -31.721 1.00 15.00 B C +ATOM 1273 CG MET B 128 -11.214 32.816 -32.541 1.00 15.00 B C +ATOM 1274 SD MET B 128 -12.641 33.280 -31.521 1.00 15.00 B S +ATOM 1275 CE MET B 128 -13.082 31.667 -30.851 1.00 15.00 B C +ATOM 1276 C MET B 128 -8.075 34.093 -30.567 1.00 15.00 B C +ATOM 1277 O MET B 128 -6.950 33.922 -31.055 1.00 15.00 B O +ATOM 1278 N PRO B 129 -8.259 34.241 -29.231 1.00 15.00 B N +ATOM 1279 CA PRO B 129 -7.102 34.173 -28.327 1.00 15.00 B C +ATOM 1280 CB PRO B 129 -7.722 34.314 -26.929 1.00 15.00 B C +ATOM 1281 CG PRO B 129 -9.039 34.974 -27.162 1.00 15.00 B C +ATOM 1282 CD PRO B 129 -9.511 34.487 -28.484 1.00 15.00 B C +ATOM 1283 C PRO B 129 -6.311 32.871 -28.410 1.00 15.00 B C +ATOM 1284 O PRO B 129 -6.862 31.810 -28.740 1.00 15.00 B O +ATOM 1285 N VAL B 130 -5.005 32.966 -28.100 1.00 15.00 B N +ATOM 1286 HN VAL B 130 -4.628 33.858 -27.949 1.00 15.00 B H +ATOM 1287 CA VAL B 130 -4.118 31.811 -27.976 1.00 15.00 B C +ATOM 1288 CB VAL B 130 -2.620 32.191 -28.101 1.00 15.00 B C +ATOM 1289 CG1 VAL B 130 -1.718 30.973 -27.900 1.00 15.00 B C +ATOM 1290 CG2 VAL B 130 -2.330 32.860 -29.454 1.00 15.00 B C +ATOM 1291 C VAL B 130 -4.484 31.238 -26.586 1.00 15.00 B C +ATOM 1292 O VAL B 130 -4.725 32.003 -25.644 1.00 15.00 B O +ATOM 1293 N PHE B 131 -4.616 29.922 -26.480 1.00 15.00 B N +ATOM 1294 HN PHE B 131 -4.408 29.358 -27.254 1.00 15.00 B H +ATOM 1295 CA PHE B 131 -5.064 29.290 -25.240 1.00 15.00 B C +ATOM 1296 CB PHE B 131 -6.591 29.013 -25.334 1.00 15.00 B C +ATOM 1297 CG PHE B 131 -7.011 28.036 -26.414 1.00 15.00 B C +ATOM 1298 CD1 PHE B 131 -7.166 28.455 -27.735 1.00 15.00 B C +ATOM 1299 CD2 PHE B 131 -7.290 26.707 -26.106 1.00 15.00 B C +ATOM 1300 CE1 PHE B 131 -7.571 27.556 -28.731 1.00 15.00 B C +ATOM 1301 CE2 PHE B 131 -7.683 25.808 -27.104 1.00 15.00 B C +ATOM 1302 CZ PHE B 131 -7.829 26.242 -28.408 1.00 15.00 B C +ATOM 1303 C PHE B 131 -4.310 27.990 -24.938 1.00 15.00 B C +ATOM 1304 O PHE B 131 -3.500 27.538 -25.746 1.00 15.00 B O +ATOM 1305 N LEU B 132 -4.603 27.378 -23.786 1.00 15.00 B N +ATOM 1306 HN LEU B 132 -5.222 27.811 -23.162 1.00 15.00 B H +ATOM 1307 CA LEU B 132 -4.029 26.083 -23.429 1.00 15.00 B C +ATOM 1308 CB LEU B 132 -3.608 26.029 -21.946 1.00 15.00 B C +ATOM 1309 CG LEU B 132 -2.720 24.852 -21.540 1.00 15.00 B C +ATOM 1310 CD1 LEU B 132 -1.341 24.942 -22.182 1.00 15.00 B C +ATOM 1311 CD2 LEU B 132 -2.564 24.807 -20.026 1.00 15.00 B C +ATOM 1312 C LEU B 132 -5.087 25.035 -23.751 1.00 15.00 B C +ATOM 1313 O LEU B 132 -6.209 25.122 -23.256 1.00 15.00 B O +ATOM 1314 N GLY B 133 -4.755 24.128 -24.661 1.00 15.00 B N +ATOM 1315 HN GLY B 133 -3.850 24.155 -25.036 1.00 15.00 B H +ATOM 1316 CA GLY B 133 -5.678 23.098 -25.124 1.00 15.00 B C +ATOM 1317 C GLY B 133 -5.287 21.701 -24.689 1.00 15.00 B C +ATOM 1318 O GLY B 133 -4.111 21.337 -24.727 1.00 15.00 B O +ATOM 1319 N GLY B 134 -6.282 20.919 -24.291 1.00 15.00 B N +ATOM 1320 HN GLY B 134 -7.192 21.283 -24.282 1.00 15.00 B H +ATOM 1321 CA GLY B 134 -6.063 19.543 -23.869 1.00 15.00 B C +ATOM 1322 C GLY B 134 -6.695 18.497 -24.765 1.00 15.00 B C +ATOM 1323 O GLY B 134 -6.769 17.334 -24.368 1.00 15.00 B O +ATOM 1324 N THR B 135 -7.170 18.883 -25.969 1.00 15.00 B N +ATOM 1325 HN THR B 135 -7.072 19.814 -26.259 1.00 15.00 B H +ATOM 1326 CA THR B 135 -7.837 17.903 -26.849 1.00 15.00 B C +ATOM 1327 CB THR B 135 -8.804 18.559 -27.836 1.00 15.00 B C +ATOM 1328 OG1 THR B 135 -8.095 19.472 -28.672 1.00 15.00 B O +ATOM 1329 HG1 THR B 135 -7.210 19.137 -28.834 1.00 15.00 B H +ATOM 1330 CG2 THR B 135 -9.958 19.275 -27.127 1.00 15.00 B C +ATOM 1331 C THR B 135 -6.808 16.963 -27.489 1.00 15.00 B C +ATOM 1332 O THR B 135 -5.744 17.415 -27.922 1.00 15.00 B O +ATOM 1333 N LYS B 136 -7.124 15.641 -27.492 1.00 15.00 B N +ATOM 1334 HN LYS B 136 -8.008 15.393 -27.149 1.00 15.00 B H +ATOM 1335 CA LYS B 136 -6.258 14.546 -27.964 1.00 15.00 B C +ATOM 1336 CB LYS B 136 -6.875 13.157 -27.688 1.00 15.00 B C +ATOM 1337 CG LYS B 136 -8.258 12.895 -28.293 1.00 15.00 B C +ATOM 1338 CD LYS B 136 -8.806 11.546 -27.839 1.00 15.00 B C +ATOM 1339 CE LYS B 136 -10.232 11.320 -28.276 1.00 15.00 B C +ATOM 1340 NZ LYS B 136 -10.813 10.108 -27.640 1.00 15.00 B N +ATOM 1341 HZ1 LYS B 136 -11.795 9.974 -27.957 1.00 15.00 B H +ATOM 1342 HZ2 LYS B 136 -10.805 10.208 -26.605 1.00 15.00 B H +ATOM 1343 HZ3 LYS B 136 -10.258 9.267 -27.900 1.00 15.00 B H +ATOM 1344 C LYS B 136 -5.812 14.648 -29.432 1.00 15.00 B C +ATOM 1345 O LYS B 136 -4.699 14.229 -29.753 1.00 15.00 B O +ATOM 1346 N GLY B 137 -6.673 15.182 -30.291 1.00 15.00 B N +ATOM 1347 HN GLY B 137 -7.538 15.489 -29.948 1.00 15.00 B H +ATOM 1348 CA GLY B 137 -6.392 15.332 -31.713 1.00 15.00 B C +ATOM 1349 C GLY B 137 -7.646 15.599 -32.511 1.00 15.00 B C +ATOM 1350 O GLY B 137 -8.331 14.662 -32.931 1.00 15.00 B O +ATOM 1351 N GLY B 138 -7.945 16.880 -32.699 1.00 15.00 B N +ATOM 1352 HN GLY B 138 -7.340 17.557 -32.330 1.00 15.00 B H +ATOM 1353 CA GLY B 138 -9.127 17.317 -33.426 1.00 15.00 B C +ATOM 1354 C GLY B 138 -9.070 18.723 -33.987 1.00 15.00 B C +ATOM 1355 O GLY B 138 -8.163 19.066 -34.747 1.00 15.00 B O +ATOM 1356 N GLN B 139 -10.076 19.527 -33.614 1.00 15.00 B N +ATOM 1357 HN GLN B 139 -10.700 19.153 -32.958 1.00 15.00 B H +ATOM 1358 CA GLN B 139 -10.364 20.893 -34.060 1.00 15.00 B C +ATOM 1359 CB GLN B 139 -11.650 21.419 -33.373 1.00 15.00 B C +ATOM 1360 CG GLN B 139 -12.897 20.519 -33.478 1.00 15.00 B C +ATOM 1361 CD GLN B 139 -13.366 20.219 -34.887 1.00 15.00 B C +ATOM 1362 OE1 GLN B 139 -13.316 21.062 -35.793 1.00 15.00 B O +ATOM 1363 NE2 GLN B 139 -13.871 19.010 -35.088 1.00 15.00 B N +ATOM 1364 HE21 GLN B 139 -13.911 18.393 -34.328 1.00 15.00 B H +ATOM 1365 HE22 GLN B 139 -14.184 18.783 -35.989 1.00 15.00 B H +ATOM 1366 C GLN B 139 -9.240 21.922 -33.874 1.00 15.00 B C +ATOM 1367 O GLN B 139 -9.029 22.746 -34.765 1.00 15.00 B O +ATOM 1368 N ASP B 140 -8.553 21.909 -32.719 1.00 15.00 B N +ATOM 1369 HN ASP B 140 -8.741 21.202 -32.067 1.00 15.00 B H +ATOM 1370 CA ASP B 140 -7.532 22.914 -32.398 1.00 15.00 B C +ATOM 1371 CB ASP B 140 -7.591 23.255 -30.900 1.00 15.00 B C +ATOM 1372 CG ASP B 140 -8.972 23.734 -30.451 1.00 15.00 B C +ATOM 1373 OD1 ASP B 140 -9.665 24.412 -31.259 1.00 15.00 B O +ATOM 1374 OD2 ASP B 140 -9.344 23.469 -29.281 1.00 15.00 B O +ATOM 1375 C ASP B 140 -6.102 22.546 -32.845 1.00 15.00 B C +ATOM 1376 O ASP B 140 -5.757 21.366 -32.931 1.00 15.00 B O +ATOM 1377 N ILE B 141 -5.279 23.581 -33.131 1.00 15.00 B N +ATOM 1378 HN ILE B 141 -5.640 24.485 -33.020 1.00 15.00 B H +ATOM 1379 CA ILE B 141 -3.889 23.465 -33.594 1.00 15.00 B C +ATOM 1380 CB ILE B 141 -3.581 24.563 -34.650 1.00 15.00 B C +ATOM 1381 CG1 ILE B 141 -4.549 24.506 -35.855 1.00 15.00 B C +ATOM 1382 CG2 ILE B 141 -2.116 24.525 -35.084 1.00 15.00 B C +ATOM 1383 CD1 ILE B 141 -4.820 25.870 -36.520 1.00 15.00 B C +ATOM 1384 C ILE B 141 -2.893 23.539 -32.415 1.00 15.00 B C +ATOM 1385 O ILE B 141 -2.945 24.490 -31.638 1.00 15.00 B O +ATOM 1386 N THR B 142 -1.956 22.569 -32.328 1.00 15.00 B N +ATOM 1387 HN THR B 142 -1.955 21.869 -33.014 1.00 15.00 B H +ATOM 1388 CA THR B 142 -0.936 22.497 -31.267 1.00 15.00 B C +ATOM 1389 CB THR B 142 -1.165 21.257 -30.379 1.00 15.00 B C +ATOM 1390 OG1 THR B 142 -1.099 20.087 -31.197 1.00 15.00 B O +ATOM 1391 HG1 THR B 142 -1.142 19.305 -30.642 1.00 15.00 B H +ATOM 1392 CG2 THR B 142 -2.476 21.306 -29.625 1.00 15.00 B C +ATOM 1393 C THR B 142 0.493 22.473 -31.837 1.00 15.00 B C +ATOM 1394 O THR B 142 1.460 22.417 -31.072 1.00 15.00 B O +ATOM 1395 N ASP B 143 0.613 22.486 -33.178 1.00 15.00 B N +ATOM 1396 HN ASP B 143 -0.213 22.527 -33.703 1.00 15.00 B H +ATOM 1397 CA ASP B 143 1.878 22.444 -33.917 1.00 15.00 B C +ATOM 1398 CB ASP B 143 1.767 21.468 -35.114 1.00 15.00 B C +ATOM 1399 CG ASP B 143 2.222 20.042 -34.851 1.00 15.00 B C +ATOM 1400 OD1 ASP B 143 2.838 19.797 -33.789 1.00 15.00 B O +ATOM 1401 OD2 ASP B 143 2.009 19.180 -35.732 1.00 15.00 B O +ATOM 1402 C ASP B 143 2.244 23.839 -34.418 1.00 15.00 B C +ATOM 1403 O ASP B 143 1.384 24.547 -34.964 1.00 15.00 B O +ATOM 1404 N PHE B 144 3.524 24.220 -34.241 1.00 15.00 B N +ATOM 1405 HN PHE B 144 4.140 23.573 -33.837 1.00 15.00 B H +ATOM 1406 CA PHE B 144 4.060 25.531 -34.609 1.00 15.00 B C +ATOM 1407 CB PHE B 144 4.254 26.406 -33.341 1.00 15.00 B C +ATOM 1408 CG PHE B 144 2.996 26.790 -32.596 1.00 15.00 B C +ATOM 1409 CD1 PHE B 144 2.363 28.000 -32.847 1.00 15.00 B C +ATOM 1410 CD2 PHE B 144 2.469 25.959 -31.609 1.00 15.00 B C +ATOM 1411 CE1 PHE B 144 1.199 28.357 -32.156 1.00 15.00 B C +ATOM 1412 CE2 PHE B 144 1.306 26.311 -30.926 1.00 15.00 B C +ATOM 1413 CZ PHE B 144 0.686 27.518 -31.190 1.00 15.00 B C +ATOM 1414 C PHE B 144 5.410 25.447 -35.326 1.00 15.00 B C +ATOM 1415 O PHE B 144 6.172 24.511 -35.104 1.00 15.00 B O +ATOM 1416 N THR B 145 5.723 26.464 -36.138 1.00 15.00 B N +ATOM 1417 HN THR B 145 5.040 27.143 -36.319 1.00 15.00 B H +ATOM 1418 CA THR B 145 7.033 26.611 -36.767 1.00 15.00 B C +ATOM 1419 CB THR B 145 6.974 26.778 -38.305 1.00 15.00 B C +ATOM 1420 OG1 THR B 145 6.250 27.956 -38.660 1.00 15.00 B O +ATOM 1421 HG1 THR B 145 6.841 28.577 -39.092 1.00 15.00 B H +ATOM 1422 CG2 THR B 145 6.401 25.564 -39.020 1.00 15.00 B C +ATOM 1423 C THR B 145 7.699 27.801 -36.069 1.00 15.00 B C +ATOM 1424 O THR B 145 7.007 28.733 -35.645 1.00 15.00 B O +ATOM 1425 N MET B 146 9.027 27.758 -35.943 1.00 15.00 B N +ATOM 1426 HN MET B 146 9.499 26.978 -36.302 1.00 15.00 B H +ATOM 1427 CA MET B 146 9.818 28.804 -35.303 1.00 15.00 B C +ATOM 1428 CB MET B 146 10.686 28.189 -34.200 1.00 15.00 B C +ATOM 1429 CG MET B 146 11.105 29.172 -33.148 1.00 15.00 B C +ATOM 1430 SD MET B 146 12.770 28.853 -32.522 1.00 15.00 B S +ATOM 1431 CE MET B 146 12.460 27.608 -31.343 1.00 15.00 B C +ATOM 1432 C MET B 146 10.705 29.504 -36.337 1.00 15.00 B C +ATOM 1433 O MET B 146 11.351 28.835 -37.148 1.00 15.00 B O +ATOM 1434 N GLN B 147 10.723 30.848 -36.309 1.00 15.00 B N +ATOM 1435 HN GLN B 147 10.157 31.303 -35.651 1.00 15.00 B H +ATOM 1436 CA GLN B 147 11.538 31.674 -37.204 1.00 15.00 B C +ATOM 1437 CB GLN B 147 10.659 32.514 -38.157 1.00 15.00 B C +ATOM 1438 CG GLN B 147 9.617 31.722 -38.966 1.00 15.00 B C +ATOM 1439 CD GLN B 147 8.321 31.453 -38.218 1.00 15.00 B C +ATOM 1440 OE1 GLN B 147 7.844 32.255 -37.405 1.00 15.00 B O +ATOM 1441 NE2 GLN B 147 7.713 30.313 -38.482 1.00 15.00 B N +ATOM 1442 HE21 GLN B 147 8.124 29.710 -39.136 1.00 15.00 B H +ATOM 1443 HE22 GLN B 147 6.875 30.116 -38.013 1.00 15.00 B H +ATOM 1444 C GLN B 147 12.412 32.584 -36.328 1.00 15.00 B C +ATOM 1445 O GLN B 147 11.876 33.357 -35.533 1.00 15.00 B O +ATOM 1446 N PHE B 148 13.749 32.470 -36.448 1.00 15.00 B N +ATOM 1447 HN PHE B 148 14.108 31.828 -37.096 1.00 15.00 B H +ATOM 1448 CA PHE B 148 14.693 33.264 -35.652 1.00 15.00 B C +ATOM 1449 CB PHE B 148 16.129 32.713 -35.760 1.00 15.00 B C +ATOM 1450 CG PHE B 148 16.326 31.270 -35.357 1.00 15.00 B C +ATOM 1451 CD1 PHE B 148 15.970 30.829 -34.087 1.00 15.00 B C +ATOM 1452 CD2 PHE B 148 16.918 30.363 -36.230 1.00 15.00 B C +ATOM 1453 CE1 PHE B 148 16.167 29.497 -33.711 1.00 15.00 B C +ATOM 1454 CE2 PHE B 148 17.120 29.032 -35.851 1.00 15.00 B C +ATOM 1455 CZ PHE B 148 16.743 28.608 -34.595 1.00 15.00 B C +ATOM 1456 C PHE B 148 14.681 34.749 -35.999 1.00 15.00 B C +ATOM 1457 O PHE B 148 14.573 35.108 -37.172 1.00 15.00 B O +ATOM 1458 N VAL B 149 14.828 35.604 -34.970 1.00 15.00 B N +ATOM 1459 HN VAL B 149 14.916 35.221 -34.072 1.00 15.00 B H +ATOM 1460 CA VAL B 149 14.867 37.067 -35.089 1.00 15.00 B C +ATOM 1461 CB VAL B 149 13.764 37.755 -34.229 1.00 15.00 B C +ATOM 1462 CG1 VAL B 149 13.911 39.277 -34.229 1.00 15.00 B C +ATOM 1463 CG2 VAL B 149 12.367 37.357 -34.702 1.00 15.00 B C +ATOM 1464 C VAL B 149 16.278 37.569 -34.747 1.00 15.00 B C +ATOM 1465 O VAL B 149 16.891 37.103 -33.787 1.00 15.00 B O +ATOM 1466 N ASP H 121 13.335 39.868 -3.070 1.00 15.00 H N +ATOM 1467 HN ASP H 121 14.156 39.344 -3.180 1.00 15.00 H H +ATOM 1468 CA ASP H 121 12.207 39.283 -2.355 1.00 15.00 H C +ATOM 1469 CB ASP H 121 12.588 38.978 -0.889 1.00 15.00 H C +ATOM 1470 CG ASP H 121 13.625 37.895 -0.657 1.00 15.00 H C +ATOM 1471 OD1 ASP H 121 14.478 37.682 -1.550 1.00 15.00 H O +ATOM 1472 OD2 ASP H 121 13.599 37.276 0.431 1.00 15.00 H O +ATOM 1473 C ASP H 121 10.997 40.222 -2.329 1.00 15.00 H C +ATOM 1474 O ASP H 121 11.157 41.428 -2.096 1.00 15.00 H O +ATOM 1475 N ILE H 122 9.782 39.660 -2.499 1.00 15.00 H N +ATOM 1476 HN ILE H 122 9.727 38.705 -2.714 1.00 15.00 H H +ATOM 1477 CA ILE H 122 8.544 40.428 -2.373 1.00 15.00 H C +ATOM 1478 CB ILE H 122 7.363 39.820 -3.194 1.00 15.00 H C +ATOM 1479 CG1 ILE H 122 7.645 39.871 -4.726 1.00 15.00 H C +ATOM 1480 CG2 ILE H 122 6.015 40.504 -2.830 1.00 15.00 H C +ATOM 1481 CD1 ILE H 122 6.555 39.239 -5.638 1.00 15.00 H C +ATOM 1482 C ILE H 122 8.248 40.476 -0.874 1.00 15.00 H C +ATOM 1483 O ILE H 122 8.159 39.423 -0.234 1.00 15.00 H O +ATOM 1484 N GLN H 123 8.132 41.685 -0.309 1.00 15.00 H N +ATOM 1485 HN GLN H 123 8.239 42.482 -0.870 1.00 15.00 H H +ATOM 1486 CA GLN H 123 7.852 41.856 1.111 1.00 15.00 H C +ATOM 1487 CB GLN H 123 8.531 43.132 1.644 1.00 15.00 H C +ATOM 1488 CG GLN H 123 8.262 43.459 3.116 1.00 15.00 H C +ATOM 1489 CD GLN H 123 8.591 44.896 3.487 1.00 15.00 H C +ATOM 1490 OE1 GLN H 123 7.953 45.493 4.361 1.00 15.00 H O +ATOM 1491 NE2 GLN H 123 9.597 45.491 2.847 1.00 15.00 H N +ATOM 1492 HE21 GLN H 123 10.080 44.978 2.166 1.00 15.00 H H +ATOM 1493 HE22 GLN H 123 9.812 46.417 3.083 1.00 15.00 H H +ATOM 1494 C GLN H 123 6.342 41.913 1.305 1.00 15.00 H C +ATOM 1495 O GLN H 123 5.657 42.639 0.582 1.00 15.00 H O +ATOM 1496 N MET H 124 5.824 41.116 2.251 1.00 15.00 H N +ATOM 1497 HN MET H 124 6.431 40.534 2.754 1.00 15.00 H H +ATOM 1498 CA MET H 124 4.397 41.074 2.568 1.00 15.00 H C +ATOM 1499 CB MET H 124 3.848 39.631 2.602 1.00 15.00 H C +ATOM 1500 CG MET H 124 3.903 38.890 1.271 1.00 15.00 H C +ATOM 1501 SD MET H 124 3.149 39.763 -0.121 1.00 15.00 H S +ATOM 1502 CE MET H 124 1.498 39.653 0.251 1.00 15.00 H C +ATOM 1503 C MET H 124 4.221 41.710 3.934 1.00 15.00 H C +ATOM 1504 O MET H 124 4.966 41.382 4.858 1.00 15.00 H O +ATOM 1505 N THR H 125 3.238 42.598 4.072 1.00 15.00 H N +ATOM 1506 HN THR H 125 2.654 42.805 3.313 1.00 15.00 H H +ATOM 1507 CA THR H 125 3.033 43.260 5.350 1.00 15.00 H C +ATOM 1508 CB THR H 125 3.699 44.657 5.396 1.00 15.00 H C +ATOM 1509 OG1 THR H 125 3.598 45.143 6.736 1.00 15.00 H O +ATOM 1510 HG1 THR H 125 4.273 44.729 7.279 1.00 15.00 H H +ATOM 1511 CG2 THR H 125 3.078 45.651 4.455 1.00 15.00 H C +ATOM 1512 C THR H 125 1.572 43.279 5.762 1.00 15.00 H C +ATOM 1513 O THR H 125 0.682 43.507 4.947 1.00 15.00 H O +ATOM 1514 N GLN H 126 1.351 43.024 7.044 1.00 15.00 H N +ATOM 1515 HN GLN H 126 2.124 42.809 7.607 1.00 15.00 H H +ATOM 1516 CA GLN H 126 0.035 43.042 7.674 1.00 15.00 H C +ATOM 1517 CB GLN H 126 -0.330 41.660 8.240 1.00 15.00 H C +ATOM 1518 CG GLN H 126 -0.677 40.632 7.140 1.00 15.00 H C +ATOM 1519 CD GLN H 126 -0.929 39.234 7.669 1.00 15.00 H C +ATOM 1520 OE1 GLN H 126 -0.171 38.308 7.412 1.00 15.00 H O +ATOM 1521 NE2 GLN H 126 -2.033 39.026 8.352 1.00 15.00 H N +ATOM 1522 HE21 GLN H 126 -2.642 39.781 8.488 1.00 15.00 H H +ATOM 1523 HE22 GLN H 126 -2.201 38.124 8.697 1.00 15.00 H H +ATOM 1524 C GLN H 126 0.147 44.122 8.742 1.00 15.00 H C +ATOM 1525 O GLN H 126 0.831 43.933 9.741 1.00 15.00 H O +ATOM 1526 N SER H 127 -0.447 45.297 8.480 1.00 15.00 H N +ATOM 1527 HN SER H 127 -0.980 45.374 7.661 1.00 15.00 H H +ATOM 1528 CA SER H 127 -0.342 46.475 9.355 1.00 15.00 H C +ATOM 1529 CB SER H 127 -0.998 47.697 8.713 1.00 15.00 H C +ATOM 1530 OG SER H 127 -2.403 47.544 8.592 1.00 15.00 H O +ATOM 1531 HG SER H 127 -2.799 47.518 9.466 1.00 15.00 H H +ATOM 1532 C SER H 127 -0.864 46.254 10.780 1.00 15.00 H C +ATOM 1533 O SER H 127 -0.318 46.847 11.715 1.00 15.00 H O +ATOM 1534 N THR H 128 -1.880 45.384 10.961 1.00 15.00 H N +ATOM 1535 HN THR H 128 -2.279 44.945 10.181 1.00 15.00 H H +ATOM 1536 CA THR H 128 -2.399 45.081 12.296 1.00 15.00 H C +ATOM 1537 CB THR H 128 -3.932 44.981 12.290 1.00 15.00 H C +ATOM 1538 OG1 THR H 128 -4.466 46.160 11.699 1.00 15.00 H O +ATOM 1539 HG1 THR H 128 -5.063 45.919 10.987 1.00 15.00 H H +ATOM 1540 CG2 THR H 128 -4.515 44.790 13.692 1.00 15.00 H C +ATOM 1541 C THR H 128 -1.743 43.810 12.841 1.00 15.00 H C +ATOM 1542 O THR H 128 -1.919 42.735 12.271 1.00 15.00 H O +ATOM 1543 N SER H 129 -1.017 43.932 13.961 1.00 15.00 H N +ATOM 1544 HN SER H 129 -0.912 44.819 14.365 1.00 15.00 H H +ATOM 1545 CA SER H 129 -0.375 42.781 14.601 1.00 15.00 H C +ATOM 1546 CB SER H 129 0.831 43.227 15.426 1.00 15.00 H C +ATOM 1547 OG SER H 129 1.423 42.098 16.050 1.00 15.00 H O +ATOM 1548 HG SER H 129 1.318 42.166 17.002 1.00 15.00 H H +ATOM 1549 C SER H 129 -1.386 42.005 15.448 1.00 15.00 H C +ATOM 1550 O SER H 129 -1.365 40.764 15.483 1.00 15.00 H O +ATOM 1551 N SER H 130 -2.266 42.738 16.151 1.00 15.00 H N +ATOM 1552 HN SER H 130 -2.191 43.715 16.122 1.00 15.00 H H +ATOM 1553 CA SER H 130 -3.328 42.145 16.955 1.00 15.00 H C +ATOM 1554 CB SER H 130 -2.812 41.605 18.290 1.00 15.00 H C +ATOM 1555 OG SER H 130 -2.586 42.638 19.231 1.00 15.00 H O +ATOM 1556 HG SER H 130 -1.696 42.981 19.122 1.00 15.00 H H +ATOM 1557 C SER H 130 -4.482 43.120 17.171 1.00 15.00 H C +ATOM 1558 O SER H 130 -4.303 44.349 17.124 1.00 15.00 H O +ATOM 1559 N LEU H 131 -5.674 42.558 17.342 1.00 15.00 H N +ATOM 1560 HN LEU H 131 -5.736 41.581 17.295 1.00 15.00 H H +ATOM 1561 CA LEU H 131 -6.893 43.312 17.595 1.00 15.00 H C +ATOM 1562 CB LEU H 131 -7.452 43.954 16.297 1.00 15.00 H C +ATOM 1563 CG LEU H 131 -8.361 43.114 15.385 1.00 15.00 H C +ATOM 1564 CD1 LEU H 131 -9.188 44.015 14.465 1.00 15.00 H C +ATOM 1565 CD2 LEU H 131 -7.557 42.085 14.559 1.00 15.00 H C +ATOM 1566 C LEU H 131 -7.936 42.429 18.246 1.00 15.00 H C +ATOM 1567 O LEU H 131 -7.862 41.205 18.161 1.00 15.00 H O +ATOM 1568 N SER H 132 -8.937 43.056 18.868 1.00 15.00 H N +ATOM 1569 HN SER H 132 -8.922 44.033 18.941 1.00 15.00 H H +ATOM 1570 CA SER H 132 -10.044 42.317 19.436 1.00 15.00 H C +ATOM 1571 CB SER H 132 -10.111 42.480 20.951 1.00 15.00 H C +ATOM 1572 OG SER H 132 -10.391 43.819 21.329 1.00 15.00 H O +ATOM 1573 HG SER H 132 -9.807 44.078 22.046 1.00 15.00 H H +ATOM 1574 C SER H 132 -11.311 42.804 18.751 1.00 15.00 H C +ATOM 1575 O SER H 132 -11.379 43.959 18.314 1.00 15.00 H O +ATOM 1576 N ALA H 133 -12.282 41.909 18.588 1.00 15.00 H N +ATOM 1577 HN ALA H 133 -12.140 40.992 18.904 1.00 15.00 H H +ATOM 1578 CA ALA H 133 -13.547 42.247 17.957 1.00 15.00 H C +ATOM 1579 CB ALA H 133 -13.468 42.027 16.451 1.00 15.00 H C +ATOM 1580 C ALA H 133 -14.663 41.427 18.563 1.00 15.00 H C +ATOM 1581 O ALA H 133 -14.431 40.330 19.078 1.00 15.00 H O +ATOM 1582 N SER H 134 -15.873 41.976 18.529 1.00 15.00 H N +ATOM 1583 HN SER H 134 -15.983 42.845 18.090 1.00 15.00 H H +ATOM 1584 CA SER H 134 -17.038 41.340 19.115 1.00 15.00 H C +ATOM 1585 CB SER H 134 -18.039 42.399 19.577 1.00 15.00 H C +ATOM 1586 OG SER H 134 -17.480 43.198 20.608 1.00 15.00 H O +ATOM 1587 HG SER H 134 -16.555 42.968 20.726 1.00 15.00 H H +ATOM 1588 C SER H 134 -17.705 40.374 18.158 1.00 15.00 H C +ATOM 1589 O SER H 134 -17.612 40.542 16.943 1.00 15.00 H O +ATOM 1590 N VAL H 135 -18.403 39.377 18.712 1.00 15.00 H N +ATOM 1591 HN VAL H 135 -18.389 39.292 19.688 1.00 15.00 H H +ATOM 1592 CA VAL H 135 -19.188 38.402 17.947 1.00 15.00 H C +ATOM 1593 CB VAL H 135 -19.795 37.301 18.869 1.00 15.00 H C +ATOM 1594 CG1 VAL H 135 -20.805 36.429 18.120 1.00 15.00 H C +ATOM 1595 CG2 VAL H 135 -18.697 36.433 19.479 1.00 15.00 H C +ATOM 1596 C VAL H 135 -20.254 39.187 17.172 1.00 15.00 H C +ATOM 1597 O VAL H 135 -20.926 40.048 17.748 1.00 15.00 H O +ATOM 1598 N GLY H 136 -20.314 38.946 15.864 1.00 15.00 H N +ATOM 1599 HN GLY H 136 -19.693 38.288 15.489 1.00 15.00 H H +ATOM 1600 CA GLY H 136 -21.249 39.606 14.968 1.00 15.00 H C +ATOM 1601 C GLY H 136 -20.631 40.720 14.154 1.00 15.00 H C +ATOM 1602 O GLY H 136 -21.201 41.116 13.131 1.00 15.00 H O +ATOM 1603 N ASP H 137 -19.458 41.235 14.599 1.00 15.00 H N +ATOM 1604 HN ASP H 137 -19.073 40.872 15.424 1.00 15.00 H H +ATOM 1605 CA ASP H 137 -18.736 42.310 13.906 1.00 15.00 H C +ATOM 1606 CB ASP H 137 -17.508 42.774 14.710 1.00 15.00 H C +ATOM 1607 CG ASP H 137 -17.768 43.584 15.960 1.00 15.00 H C +ATOM 1608 OD1 ASP H 137 -18.959 43.848 16.268 1.00 15.00 H O +ATOM 1609 OD2 ASP H 137 -16.786 43.933 16.647 1.00 15.00 H O +ATOM 1610 C ASP H 137 -18.229 41.886 12.542 1.00 15.00 H C +ATOM 1611 O ASP H 137 -17.815 40.738 12.379 1.00 15.00 H O +ATOM 1612 N ARG H 138 -18.224 42.830 11.576 1.00 15.00 H N +ATOM 1613 HN ARG H 138 -18.638 43.697 11.768 1.00 15.00 H H +ATOM 1614 CA ARG H 138 -17.632 42.618 10.262 1.00 15.00 H C +ATOM 1615 CB ARG H 138 -18.282 43.527 9.205 1.00 15.00 H C +ATOM 1616 CG ARG H 138 -17.699 43.349 7.798 1.00 15.00 H C +ATOM 1617 CD ARG H 138 -18.419 44.212 6.771 1.00 15.00 H C +ATOM 1618 NE ARG H 138 -17.848 44.050 5.432 1.00 15.00 H N +ATOM 1619 HE ARG H 138 -17.112 44.647 5.184 1.00 15.00 H H +ATOM 1620 CZ ARG H 138 -18.262 43.153 4.542 1.00 15.00 H C +ATOM 1621 NH1 ARG H 138 -19.254 42.321 4.838 1.00 15.00 H N +ATOM 1622 HH11 ARG H 138 -19.573 41.622 4.137 1.00 15.00 H H +ATOM 1623 HH12 ARG H 138 -19.712 42.369 5.771 1.00 15.00 H H +ATOM 1624 NH2 ARG H 138 -17.683 43.077 3.350 1.00 15.00 H N +ATOM 1625 HH21 ARG H 138 -18.010 42.374 2.657 1.00 15.00 H H +ATOM 1626 HH22 ARG H 138 -16.902 43.721 3.109 1.00 15.00 H H +ATOM 1627 C ARG H 138 -16.145 42.947 10.461 1.00 15.00 H C +ATOM 1628 O ARG H 138 -15.811 44.093 10.801 1.00 15.00 H O +ATOM 1629 N VAL H 139 -15.270 41.921 10.372 1.00 15.00 H N +ATOM 1630 HN VAL H 139 -15.620 41.033 10.150 1.00 15.00 H H +ATOM 1631 CA VAL H 139 -13.824 42.062 10.590 1.00 15.00 H C +ATOM 1632 CB VAL H 139 -13.260 40.983 11.567 1.00 15.00 H C +ATOM 1633 CG1 VAL H 139 -11.738 41.094 11.724 1.00 15.00 H C +ATOM 1634 CG2 VAL H 139 -13.940 41.054 12.930 1.00 15.00 H C +ATOM 1635 C VAL H 139 -13.074 42.073 9.256 1.00 15.00 H C +ATOM 1636 O VAL H 139 -13.314 41.222 8.411 1.00 15.00 H O +ATOM 1637 N THR H 140 -12.144 43.018 9.109 1.00 15.00 H N +ATOM 1638 HN THR H 140 -12.014 43.635 9.859 1.00 15.00 H H +ATOM 1639 CA THR H 140 -11.302 43.217 7.934 1.00 15.00 H C +ATOM 1640 CB THR H 140 -11.632 44.638 7.385 1.00 15.00 H C +ATOM 1641 OG1 THR H 140 -12.777 44.566 6.530 1.00 15.00 H O +ATOM 1642 HG1 THR H 140 -12.713 45.242 5.851 1.00 15.00 H H +ATOM 1643 CG2 THR H 140 -10.475 45.304 6.668 1.00 15.00 H C +ATOM 1644 C THR H 140 -9.818 43.039 8.338 1.00 15.00 H C +ATOM 1645 O THR H 140 -9.360 43.703 9.274 1.00 15.00 H O +ATOM 1646 N ILE H 141 -9.080 42.152 7.645 1.00 15.00 H N +ATOM 1647 HN ILE H 141 -9.523 41.615 6.955 1.00 15.00 H H +ATOM 1648 CA ILE H 141 -7.633 41.948 7.875 1.00 15.00 H C +ATOM 1649 CB ILE H 141 -7.286 40.531 8.415 1.00 15.00 H C +ATOM 1650 CG1 ILE H 141 -7.866 40.336 9.840 1.00 15.00 H C +ATOM 1651 CG2 ILE H 141 -5.744 40.288 8.394 1.00 15.00 H C +ATOM 1652 CD1 ILE H 141 -7.905 38.897 10.355 1.00 15.00 H C +ATOM 1653 C ILE H 141 -6.929 42.270 6.556 1.00 15.00 H C +ATOM 1654 O ILE H 141 -7.264 41.675 5.540 1.00 15.00 H O +ATOM 1655 N THR H 142 -6.000 43.245 6.564 1.00 15.00 H N +ATOM 1656 HN THR H 142 -5.778 43.675 7.416 1.00 15.00 H H +ATOM 1657 CA THR H 142 -5.311 43.687 5.356 1.00 15.00 H C +ATOM 1658 CB THR H 142 -5.301 45.228 5.239 1.00 15.00 H C +ATOM 1659 OG1 THR H 142 -4.545 45.777 6.320 1.00 15.00 H O +ATOM 1660 HG1 THR H 142 -4.982 45.576 7.151 1.00 15.00 H H +ATOM 1661 CG2 THR H 142 -6.710 45.834 5.222 1.00 15.00 H C +ATOM 1662 C THR H 142 -3.910 43.101 5.239 1.00 15.00 H C +ATOM 1663 O THR H 142 -3.256 42.807 6.242 1.00 15.00 H O +ATOM 1664 N CYS H 143 -3.472 42.948 3.994 1.00 15.00 H N +ATOM 1665 HN CYS H 143 -4.088 43.213 3.280 1.00 15.00 H H +ATOM 1666 CA CYS H 143 -2.181 42.432 3.574 1.00 15.00 H C +ATOM 1667 C CYS H 143 -1.729 43.304 2.386 1.00 15.00 H C +ATOM 1668 O CYS H 143 -2.498 43.487 1.451 1.00 15.00 H O +ATOM 1669 CB CYS H 143 -2.339 40.970 3.164 1.00 15.00 H C +ATOM 1670 SG CYS H 143 -0.845 40.202 2.505 1.00 15.00 H S +ATOM 1671 N ARG H 144 -0.501 43.840 2.424 1.00 15.00 H N +ATOM 1672 HN ARG H 144 0.054 43.691 3.218 1.00 15.00 H H +ATOM 1673 CA ARG H 144 0.044 44.640 1.325 1.00 15.00 H C +ATOM 1674 CB ARG H 144 0.291 46.106 1.758 1.00 15.00 H C +ATOM 1675 CG ARG H 144 0.911 46.979 0.655 1.00 15.00 H C +ATOM 1676 CD ARG H 144 1.082 48.425 1.087 1.00 15.00 H C +ATOM 1677 NE ARG H 144 -0.179 49.166 1.006 1.00 15.00 H N +ATOM 1678 HE ARG H 144 -0.922 48.734 0.536 1.00 15.00 H H +ATOM 1679 CZ ARG H 144 -0.379 50.375 1.524 1.00 15.00 H C +ATOM 1680 NH1 ARG H 144 0.595 50.996 2.180 1.00 15.00 H N +ATOM 1681 HH11 ARG H 144 0.431 51.941 2.582 1.00 15.00 H H +ATOM 1682 HH12 ARG H 144 1.522 50.537 2.292 1.00 15.00 H H +ATOM 1683 NH2 ARG H 144 -1.558 50.970 1.397 1.00 15.00 H N +ATOM 1684 HH21 ARG H 144 -2.330 50.491 0.891 1.00 15.00 H H +ATOM 1685 HH22 ARG H 144 -1.710 51.915 1.804 1.00 15.00 H H +ATOM 1686 C ARG H 144 1.338 44.005 0.823 1.00 15.00 H C +ATOM 1687 O ARG H 144 2.226 43.693 1.628 1.00 15.00 H O +ATOM 1688 N ALA H 145 1.445 43.818 -0.512 1.00 15.00 H N +ATOM 1689 HN ALA H 145 0.690 44.060 -1.088 1.00 15.00 H H +ATOM 1690 CA ALA H 145 2.656 43.264 -1.124 1.00 15.00 H C +ATOM 1691 CB ALA H 145 2.298 42.405 -2.344 1.00 15.00 H C +ATOM 1692 C ALA H 145 3.511 44.444 -1.555 1.00 15.00 H C +ATOM 1693 O ALA H 145 2.965 45.495 -1.915 1.00 15.00 H O +ATOM 1694 N SER H 146 4.850 44.280 -1.537 1.00 15.00 H N +ATOM 1695 HN SER H 146 5.216 43.419 -1.244 1.00 15.00 H H +ATOM 1696 CA SER H 146 5.780 45.344 -1.940 1.00 15.00 H C +ATOM 1697 CB SER H 146 7.191 45.048 -1.434 1.00 15.00 H C +ATOM 1698 OG SER H 146 7.731 43.880 -2.021 1.00 15.00 H O +ATOM 1699 HG SER H 146 8.317 44.125 -2.741 1.00 15.00 H H +ATOM 1700 C SER H 146 5.759 45.631 -3.461 1.00 15.00 H C +ATOM 1701 O SER H 146 6.231 46.682 -3.901 1.00 15.00 H O +ATOM 1702 N GLN H 147 5.201 44.701 -4.259 1.00 15.00 H N +ATOM 1703 HN GLN H 147 4.873 43.879 -3.838 1.00 15.00 H H +ATOM 1704 CA GLN H 147 5.048 44.829 -5.716 1.00 15.00 H C +ATOM 1705 CB GLN H 147 6.349 44.466 -6.470 1.00 15.00 H C +ATOM 1706 CG GLN H 147 6.863 43.055 -6.213 1.00 15.00 H C +ATOM 1707 CD GLN H 147 8.241 42.857 -6.790 1.00 15.00 H C +ATOM 1708 OE1 GLN H 147 9.251 43.250 -6.212 1.00 15.00 H O +ATOM 1709 NE2 GLN H 147 8.311 42.268 -7.957 1.00 15.00 H N +ATOM 1710 HE21 GLN H 147 7.475 41.991 -8.387 1.00 15.00 H H +ATOM 1711 HE22 GLN H 147 9.197 42.128 -8.353 1.00 15.00 H H +ATOM 1712 C GLN H 147 3.867 43.972 -6.183 1.00 15.00 H C +ATOM 1713 O GLN H 147 3.322 43.206 -5.391 1.00 15.00 H O +ATOM 1714 N ASP H 148 3.453 44.131 -7.443 1.00 15.00 H N +ATOM 1715 HN ASP H 148 3.921 44.786 -8.002 1.00 15.00 H H +ATOM 1716 CA ASP H 148 2.343 43.387 -8.040 1.00 15.00 H C +ATOM 1717 CB ASP H 148 2.218 43.737 -9.523 1.00 15.00 H C +ATOM 1718 CG ASP H 148 1.056 43.095 -10.266 1.00 15.00 H C +ATOM 1719 OD1 ASP H 148 0.106 42.623 -9.599 1.00 15.00 H O +ATOM 1720 OD2 ASP H 148 1.070 43.118 -11.513 1.00 15.00 H O +ATOM 1721 C ASP H 148 2.480 41.859 -7.846 1.00 15.00 H C +ATOM 1722 O ASP H 148 3.494 41.270 -8.232 1.00 15.00 H O +ATOM 1723 N ILE H 149 1.451 41.231 -7.250 1.00 15.00 H N +ATOM 1724 HN ILE H 149 0.672 41.747 -6.953 1.00 15.00 H H +ATOM 1725 CA ILE H 149 1.486 39.781 -7.042 1.00 15.00 H C +ATOM 1726 CB ILE H 149 1.491 39.312 -5.552 1.00 15.00 H C +ATOM 1727 CG1 ILE H 149 0.233 39.777 -4.802 1.00 15.00 H C +ATOM 1728 CG2 ILE H 149 2.809 39.746 -4.860 1.00 15.00 H C +ATOM 1729 CD1 ILE H 149 0.009 39.055 -3.431 1.00 15.00 H C +ATOM 1730 C ILE H 149 0.426 39.064 -7.889 1.00 15.00 H C +ATOM 1731 O ILE H 149 0.303 37.849 -7.789 1.00 15.00 H O +ATOM 1732 N SER H 150 -0.270 39.801 -8.785 1.00 15.00 H N +ATOM 1733 HN SER H 150 -0.128 40.771 -8.785 1.00 15.00 H H +ATOM 1734 CA SER H 150 -1.229 39.247 -9.763 1.00 15.00 H C +ATOM 1735 CB SER H 150 -0.487 38.516 -10.881 1.00 15.00 H C +ATOM 1736 OG SER H 150 0.585 39.285 -11.403 1.00 15.00 H O +ATOM 1737 HG SER H 150 1.352 39.194 -10.833 1.00 15.00 H H +ATOM 1738 C SER H 150 -2.307 38.339 -9.140 1.00 15.00 H C +ATOM 1739 O SER H 150 -2.637 37.289 -9.706 1.00 15.00 H O +ATOM 1740 N ASN H 151 -2.838 38.734 -7.952 1.00 15.00 H N +ATOM 1741 HN ASN H 151 -2.515 39.572 -7.559 1.00 15.00 H H +ATOM 1742 CA ASN H 151 -3.869 37.978 -7.221 1.00 15.00 H C +ATOM 1743 CB ASN H 151 -5.167 37.823 -8.070 1.00 15.00 H C +ATOM 1744 CG ASN H 151 -5.986 39.088 -8.172 1.00 15.00 H C +ATOM 1745 OD1 ASN H 151 -6.998 39.255 -7.504 1.00 15.00 H O +ATOM 1746 ND2 ASN H 151 -5.624 39.965 -9.080 1.00 15.00 H N +ATOM 1747 HD21 ASN H 151 -4.848 39.757 -9.641 1.00 15.00 H H +ATOM 1748 HD22 ASN H 151 -6.145 40.791 -9.159 1.00 15.00 H H +ATOM 1749 C ASN H 151 -3.386 36.605 -6.713 1.00 15.00 H C +ATOM 1750 O ASN H 151 -4.209 35.818 -6.247 1.00 15.00 H O +ATOM 1751 N TYR H 152 -2.064 36.309 -6.804 1.00 15.00 H N +ATOM 1752 HN TYR H 152 -1.452 36.968 -7.194 1.00 15.00 H H +ATOM 1753 CA TYR H 152 -1.528 35.024 -6.332 1.00 15.00 H C +ATOM 1754 CB TYR H 152 -0.219 34.665 -7.053 1.00 15.00 H C +ATOM 1755 CG TYR H 152 -0.354 34.467 -8.548 1.00 15.00 H C +ATOM 1756 CD1 TYR H 152 -1.500 33.892 -9.098 1.00 15.00 H C +ATOM 1757 CD2 TYR H 152 0.678 34.816 -9.411 1.00 15.00 H C +ATOM 1758 CE1 TYR H 152 -1.602 33.656 -10.473 1.00 15.00 H C +ATOM 1759 CE2 TYR H 152 0.577 34.602 -10.786 1.00 15.00 H C +ATOM 1760 CZ TYR H 152 -0.562 34.017 -11.311 1.00 15.00 H C +ATOM 1761 OH TYR H 152 -0.656 33.811 -12.672 1.00 15.00 H O +ATOM 1762 HH TYR H 152 -1.524 34.085 -12.978 1.00 15.00 H H +ATOM 1763 C TYR H 152 -1.314 35.156 -4.831 1.00 15.00 H C +ATOM 1764 O TYR H 152 -0.180 35.284 -4.340 1.00 15.00 H O +ATOM 1765 N LEU H 153 -2.432 35.183 -4.111 1.00 15.00 H N +ATOM 1766 HN LEU H 153 -3.290 35.069 -4.571 1.00 15.00 H H +ATOM 1767 CA LEU H 153 -2.436 35.374 -2.672 1.00 15.00 H C +ATOM 1768 CB LEU H 153 -2.860 36.814 -2.344 1.00 15.00 H C +ATOM 1769 CG LEU H 153 -2.816 37.140 -0.877 1.00 15.00 H C +ATOM 1770 CD1 LEU H 153 -1.652 37.981 -0.511 1.00 15.00 H C +ATOM 1771 CD2 LEU H 153 -4.142 37.514 -0.338 1.00 15.00 H C +ATOM 1772 C LEU H 153 -3.385 34.382 -2.016 1.00 15.00 H C +ATOM 1773 O LEU H 153 -4.469 34.117 -2.540 1.00 15.00 H O +ATOM 1774 N SER H 154 -2.985 33.867 -0.858 1.00 15.00 H N +ATOM 1775 HN SER H 154 -2.101 34.115 -0.515 1.00 15.00 H H +ATOM 1776 CA SER H 154 -3.804 32.949 -0.077 1.00 15.00 H C +ATOM 1777 CB SER H 154 -3.381 31.492 -0.298 1.00 15.00 H C +ATOM 1778 OG SER H 154 -1.973 31.328 -0.205 1.00 15.00 H O +ATOM 1779 HG SER H 154 -1.753 30.397 -0.284 1.00 15.00 H H +ATOM 1780 C SER H 154 -3.730 33.337 1.398 1.00 15.00 H C +ATOM 1781 O SER H 154 -2.741 33.945 1.845 1.00 15.00 H O +ATOM 1782 N TRP H 155 -4.814 33.030 2.125 1.00 15.00 H N +ATOM 1783 HN TRP H 155 -5.544 32.563 1.667 1.00 15.00 H H +ATOM 1784 CA TRP H 155 -5.000 33.334 3.551 1.00 15.00 H C +ATOM 1785 CB TRP H 155 -6.316 34.104 3.746 1.00 15.00 H C +ATOM 1786 CG TRP H 155 -6.263 35.521 3.260 1.00 15.00 H C +ATOM 1787 CD1 TRP H 155 -6.790 36.016 2.101 1.00 15.00 H C +ATOM 1788 CD2 TRP H 155 -5.699 36.641 3.958 1.00 15.00 H C +ATOM 1789 NE1 TRP H 155 -6.569 37.377 2.024 1.00 15.00 H N +ATOM 1790 HE1 TRP H 155 -6.839 37.956 1.280 1.00 15.00 H H +ATOM 1791 CE2 TRP H 155 -5.883 37.781 3.141 1.00 15.00 H C +ATOM 1792 CE3 TRP H 155 -5.041 36.790 5.188 1.00 15.00 H C +ATOM 1793 CZ2 TRP H 155 -5.469 39.055 3.535 1.00 15.00 H C +ATOM 1794 CZ3 TRP H 155 -4.629 38.057 5.579 1.00 15.00 H C +ATOM 1795 CH2 TRP H 155 -4.875 39.176 4.772 1.00 15.00 H C +ATOM 1796 C TRP H 155 -5.060 32.045 4.346 1.00 15.00 H C +ATOM 1797 O TRP H 155 -5.767 31.113 3.955 1.00 15.00 H O +ATOM 1798 N TYR H 156 -4.335 32.011 5.461 1.00 15.00 H N +ATOM 1799 HN TYR H 156 -3.835 32.819 5.699 1.00 15.00 H H +ATOM 1800 CA TYR H 156 -4.225 30.856 6.365 1.00 15.00 H C +ATOM 1801 CB TYR H 156 -2.784 30.313 6.377 1.00 15.00 H C +ATOM 1802 CG TYR H 156 -2.349 29.878 4.996 1.00 15.00 H C +ATOM 1803 CD1 TYR H 156 -1.837 30.799 4.086 1.00 15.00 H C +ATOM 1804 CD2 TYR H 156 -2.553 28.571 4.559 1.00 15.00 H C +ATOM 1805 CE1 TYR H 156 -1.572 30.440 2.766 1.00 15.00 H C +ATOM 1806 CE2 TYR H 156 -2.241 28.189 3.255 1.00 15.00 H C +ATOM 1807 CZ TYR H 156 -1.745 29.129 2.362 1.00 15.00 H C +ATOM 1808 OH TYR H 156 -1.512 28.792 1.046 1.00 15.00 H O +ATOM 1809 HH TYR H 156 -2.257 28.290 0.707 1.00 15.00 H H +ATOM 1810 C TYR H 156 -4.652 31.244 7.767 1.00 15.00 H C +ATOM 1811 O TYR H 156 -4.378 32.357 8.219 1.00 15.00 H O +ATOM 1812 N GLN H 157 -5.332 30.325 8.446 1.00 15.00 H N +ATOM 1813 HN GLN H 157 -5.533 29.472 8.007 1.00 15.00 H H +ATOM 1814 CA GLN H 157 -5.792 30.529 9.815 1.00 15.00 H C +ATOM 1815 CB GLN H 157 -7.303 30.294 9.867 1.00 15.00 H C +ATOM 1816 CG GLN H 157 -7.924 30.504 11.243 1.00 15.00 H C +ATOM 1817 CD GLN H 157 -9.295 29.887 11.319 1.00 15.00 H C +ATOM 1818 OE1 GLN H 157 -9.470 28.695 11.083 1.00 15.00 H O +ATOM 1819 NE2 GLN H 157 -10.280 30.659 11.736 1.00 15.00 H N +ATOM 1820 HE21 GLN H 157 -10.071 31.585 11.974 1.00 15.00 H H +ATOM 1821 HE22 GLN H 157 -11.179 30.274 11.790 1.00 15.00 H H +ATOM 1822 C GLN H 157 -5.061 29.572 10.744 1.00 15.00 H C +ATOM 1823 O GLN H 157 -5.034 28.348 10.500 1.00 15.00 H O +ATOM 1824 N GLN H 158 -4.475 30.127 11.830 1.00 15.00 H N +ATOM 1825 HN GLN H 158 -4.537 31.095 11.969 1.00 15.00 H H +ATOM 1826 CA GLN H 158 -3.759 29.316 12.788 1.00 15.00 H C +ATOM 1827 CB GLN H 158 -2.281 29.721 12.854 1.00 15.00 H C +ATOM 1828 CG GLN H 158 -1.500 28.799 13.784 1.00 15.00 H C +ATOM 1829 CD GLN H 158 -0.070 29.188 13.897 1.00 15.00 H C +ATOM 1830 OE1 GLN H 158 0.266 30.365 14.062 1.00 15.00 H O +ATOM 1831 NE2 GLN H 158 0.795 28.192 13.891 1.00 15.00 H N +ATOM 1832 HE21 GLN H 158 0.449 27.279 13.814 1.00 15.00 H H +ATOM 1833 HE22 GLN H 158 1.748 28.407 13.964 1.00 15.00 H H +ATOM 1834 C GLN H 158 -4.408 29.405 14.156 1.00 15.00 H C +ATOM 1835 O GLN H 158 -4.392 30.467 14.790 1.00 15.00 H O +ATOM 1836 N LYS H 159 -4.933 28.275 14.627 1.00 15.00 H N +ATOM 1837 HN LYS H 159 -4.907 27.468 14.071 1.00 15.00 H H +ATOM 1838 CA LYS H 159 -5.550 28.208 15.960 1.00 15.00 H C +ATOM 1839 CB LYS H 159 -6.926 27.525 15.913 1.00 15.00 H C +ATOM 1840 CG LYS H 159 -7.951 28.206 15.020 1.00 15.00 H C +ATOM 1841 CD LYS H 159 -9.325 27.581 15.219 1.00 15.00 H C +ATOM 1842 CE LYS H 159 -10.320 28.101 14.224 1.00 15.00 H C +ATOM 1843 NZ LYS H 159 -11.667 27.490 14.392 1.00 15.00 H N +ATOM 1844 HZ1 LYS H 159 -12.036 27.695 15.342 1.00 15.00 H H +ATOM 1845 HZ2 LYS H 159 -11.610 26.459 14.270 1.00 15.00 H H +ATOM 1846 HZ3 LYS H 159 -12.325 27.876 13.685 1.00 15.00 H H +ATOM 1847 C LYS H 159 -4.637 27.481 16.942 1.00 15.00 H C +ATOM 1848 O LYS H 159 -3.918 26.556 16.540 1.00 15.00 H O +ATOM 1849 N PRO H 160 -4.677 27.849 18.251 1.00 15.00 H N +ATOM 1850 CA PRO H 160 -3.849 27.139 19.241 1.00 15.00 H C +ATOM 1851 CB PRO H 160 -4.257 27.790 20.565 1.00 15.00 H C +ATOM 1852 CG PRO H 160 -4.710 29.146 20.179 1.00 15.00 H C +ATOM 1853 CD PRO H 160 -5.448 28.933 18.890 1.00 15.00 H C +ATOM 1854 C PRO H 160 -4.110 25.637 19.268 1.00 15.00 H C +ATOM 1855 O PRO H 160 -5.264 25.207 19.228 1.00 15.00 H O +ATOM 1856 N GLY H 161 -3.025 24.865 19.263 1.00 15.00 H N +ATOM 1857 HN GLY H 161 -2.152 25.307 19.220 1.00 15.00 H H +ATOM 1858 CA GLY H 161 -3.057 23.408 19.318 1.00 15.00 H C +ATOM 1859 C GLY H 161 -3.623 22.693 18.107 1.00 15.00 H C +ATOM 1860 O GLY H 161 -3.889 21.491 18.181 1.00 15.00 H O +ATOM 1861 N LYS H 162 -3.813 23.422 16.982 1.00 15.00 H N +ATOM 1862 HN LYS H 162 -3.576 24.373 17.004 1.00 15.00 H H +ATOM 1863 CA LYS H 162 -4.352 22.876 15.731 1.00 15.00 H C +ATOM 1864 CB LYS H 162 -5.761 23.432 15.457 1.00 15.00 H C +ATOM 1865 CG LYS H 162 -6.829 22.954 16.436 1.00 15.00 H C +ATOM 1866 CD LYS H 162 -8.104 23.769 16.294 1.00 15.00 H C +ATOM 1867 CE LYS H 162 -9.177 23.324 17.258 1.00 15.00 H C +ATOM 1868 NZ LYS H 162 -10.390 24.178 17.163 1.00 15.00 H N +ATOM 1869 HZ1 LYS H 162 -10.150 25.166 17.383 1.00 15.00 H H +ATOM 1870 HZ2 LYS H 162 -11.112 23.851 17.836 1.00 15.00 H H +ATOM 1871 HZ3 LYS H 162 -10.784 24.134 16.201 1.00 15.00 H H +ATOM 1872 C LYS H 162 -3.442 23.201 14.549 1.00 15.00 H C +ATOM 1873 O LYS H 162 -2.764 24.228 14.559 1.00 15.00 H O +ATOM 1874 N ALA H 163 -3.457 22.333 13.512 1.00 15.00 H N +ATOM 1875 HN ALA H 163 -4.007 21.525 13.585 1.00 15.00 H H +ATOM 1876 CA ALA H 163 -2.690 22.547 12.288 1.00 15.00 H C +ATOM 1877 CB ALA H 163 -2.755 21.314 11.396 1.00 15.00 H C +ATOM 1878 C ALA H 163 -3.272 23.755 11.550 1.00 15.00 H C +ATOM 1879 O ALA H 163 -4.476 24.018 11.625 1.00 15.00 H O +ATOM 1880 N VAL H 164 -2.403 24.513 10.892 1.00 15.00 H N +ATOM 1881 HN VAL H 164 -1.454 24.275 10.953 1.00 15.00 H H +ATOM 1882 CA VAL H 164 -2.758 25.676 10.084 1.00 15.00 H C +ATOM 1883 CB VAL H 164 -1.470 26.282 9.468 1.00 15.00 H C +ATOM 1884 CG1 VAL H 164 -1.794 27.298 8.381 1.00 15.00 H C +ATOM 1885 CG2 VAL H 164 -0.590 26.913 10.551 1.00 15.00 H C +ATOM 1886 C VAL H 164 -3.771 25.217 9.009 1.00 15.00 H C +ATOM 1887 O VAL H 164 -3.657 24.098 8.488 1.00 15.00 H O +ATOM 1888 N LYS H 165 -4.768 26.066 8.706 1.00 15.00 H N +ATOM 1889 HN LYS H 165 -4.794 26.935 9.159 1.00 15.00 H H +ATOM 1890 CA LYS H 165 -5.813 25.758 7.737 1.00 15.00 H C +ATOM 1891 CB LYS H 165 -7.172 25.776 8.477 1.00 15.00 H C +ATOM 1892 CG LYS H 165 -8.406 25.522 7.602 1.00 15.00 H C +ATOM 1893 CD LYS H 165 -9.719 25.702 8.382 1.00 15.00 H C +ATOM 1894 CE LYS H 165 -10.205 24.422 9.027 1.00 15.00 H C +ATOM 1895 NZ LYS H 165 -11.537 24.595 9.661 1.00 15.00 H N +ATOM 1896 HZ1 LYS H 165 -11.490 25.328 10.398 1.00 15.00 H H +ATOM 1897 HZ2 LYS H 165 -11.845 23.702 10.095 1.00 15.00 H H +ATOM 1898 HZ3 LYS H 165 -12.238 24.880 8.948 1.00 15.00 H H +ATOM 1899 C LYS H 165 -5.827 26.784 6.598 1.00 15.00 H C +ATOM 1900 O LYS H 165 -5.776 27.989 6.855 1.00 15.00 H O +ATOM 1901 N LEU H 166 -5.957 26.311 5.357 1.00 15.00 H N +ATOM 1902 HN LEU H 166 -5.957 25.344 5.198 1.00 15.00 H H +ATOM 1903 CA LEU H 166 -6.099 27.238 4.235 1.00 15.00 H C +ATOM 1904 CB LEU H 166 -5.794 26.536 2.888 1.00 15.00 H C +ATOM 1905 CG LEU H 166 -6.165 27.342 1.629 1.00 15.00 H C +ATOM 1906 CD1 LEU H 166 -5.236 28.577 1.446 1.00 15.00 H C +ATOM 1907 CD2 LEU H 166 -6.133 26.459 0.389 1.00 15.00 H C +ATOM 1908 C LEU H 166 -7.560 27.717 4.264 1.00 15.00 H C +ATOM 1909 O LEU H 166 -8.468 26.892 4.375 1.00 15.00 H O +ATOM 1910 N LEU H 167 -7.786 29.039 4.174 1.00 15.00 H N +ATOM 1911 HN LEU H 167 -7.024 29.653 4.132 1.00 15.00 H H +ATOM 1912 CA LEU H 167 -9.152 29.585 4.137 1.00 15.00 H C +ATOM 1913 CB LEU H 167 -9.299 30.796 5.083 1.00 15.00 H C +ATOM 1914 CG LEU H 167 -9.044 30.614 6.569 1.00 15.00 H C +ATOM 1915 CD1 LEU H 167 -9.029 31.969 7.265 1.00 15.00 H C +ATOM 1916 CD2 LEU H 167 -10.088 29.720 7.214 1.00 15.00 H C +ATOM 1917 C LEU H 167 -9.546 30.032 2.729 1.00 15.00 H C +ATOM 1918 O LEU H 167 -10.613 29.661 2.219 1.00 15.00 H O +ATOM 1919 N ILE H 168 -8.692 30.876 2.128 1.00 15.00 H N +ATOM 1920 HN ILE H 168 -7.851 31.075 2.590 1.00 15.00 H H +ATOM 1921 CA ILE H 168 -8.923 31.522 0.833 1.00 15.00 H C +ATOM 1922 CB ILE H 168 -9.248 33.031 1.068 1.00 15.00 H C +ATOM 1923 CG1 ILE H 168 -10.532 33.242 1.916 1.00 15.00 H C +ATOM 1924 CG2 ILE H 168 -9.297 33.836 -0.248 1.00 15.00 H C +ATOM 1925 CD1 ILE H 168 -11.863 32.838 1.288 1.00 15.00 H C +ATOM 1926 C ILE H 168 -7.700 31.359 -0.056 1.00 15.00 H C +ATOM 1927 O ILE H 168 -6.582 31.501 0.423 1.00 15.00 H O +ATOM 1928 N TYR H 169 -7.908 31.060 -1.348 1.00 15.00 H N +ATOM 1929 HN TYR H 169 -8.824 30.926 -1.669 1.00 15.00 H H +ATOM 1930 CA TYR H 169 -6.791 30.931 -2.286 1.00 15.00 H C +ATOM 1931 CB TYR H 169 -6.490 29.451 -2.603 1.00 15.00 H C +ATOM 1932 CG TYR H 169 -7.607 28.721 -3.322 1.00 15.00 H C +ATOM 1933 CD1 TYR H 169 -7.578 28.547 -4.703 1.00 15.00 H C +ATOM 1934 CD2 TYR H 169 -8.684 28.188 -2.621 1.00 15.00 H C +ATOM 1935 CE1 TYR H 169 -8.590 27.854 -5.366 1.00 15.00 H C +ATOM 1936 CE2 TYR H 169 -9.708 27.502 -3.273 1.00 15.00 H C +ATOM 1937 CZ TYR H 169 -9.652 27.330 -4.645 1.00 15.00 H C +ATOM 1938 OH TYR H 169 -10.681 26.686 -5.285 1.00 15.00 H O +ATOM 1939 HH TYR H 169 -11.520 27.018 -4.957 1.00 15.00 H H +ATOM 1940 C TYR H 169 -7.090 31.759 -3.534 1.00 15.00 H C +ATOM 1941 O TYR H 169 -8.248 32.115 -3.761 1.00 15.00 H O +ATOM 1942 N TYR H 170 -6.054 32.126 -4.305 1.00 15.00 H N +ATOM 1943 HN TYR H 170 -5.154 31.832 -4.052 1.00 15.00 H H +ATOM 1944 CA TYR H 170 -6.211 32.951 -5.515 1.00 15.00 H C +ATOM 1945 CB TYR H 170 -6.785 32.112 -6.697 1.00 15.00 H C +ATOM 1946 CG TYR H 170 -6.241 32.458 -8.067 1.00 15.00 H C +ATOM 1947 CD1 TYR H 170 -5.813 33.750 -8.370 1.00 15.00 H C +ATOM 1948 CD2 TYR H 170 -6.164 31.494 -9.069 1.00 15.00 H C +ATOM 1949 CE1 TYR H 170 -5.325 34.075 -9.642 1.00 15.00 H C +ATOM 1950 CE2 TYR H 170 -5.682 31.806 -10.340 1.00 15.00 H C +ATOM 1951 CZ TYR H 170 -5.276 33.099 -10.626 1.00 15.00 H C +ATOM 1952 OH TYR H 170 -4.792 33.383 -11.880 1.00 15.00 H O +ATOM 1953 HH TYR H 170 -3.997 33.916 -11.804 1.00 15.00 H H +ATOM 1954 C TYR H 170 -7.069 34.196 -5.236 1.00 15.00 H C +ATOM 1955 O TYR H 170 -8.006 34.488 -5.985 1.00 15.00 H O +ATOM 1956 N THR H 171 -6.755 34.896 -4.126 1.00 15.00 H N +ATOM 1957 HN THR H 171 -6.023 34.529 -3.588 1.00 15.00 H H +ATOM 1958 CA THR H 171 -7.357 36.128 -3.614 1.00 15.00 H C +ATOM 1959 CB THR H 171 -7.326 37.250 -4.702 1.00 15.00 H C +ATOM 1960 OG1 THR H 171 -5.958 37.569 -4.955 1.00 15.00 H O +ATOM 1961 HG1 THR H 171 -5.815 38.507 -4.808 1.00 15.00 H H +ATOM 1962 CG2 THR H 171 -8.091 38.517 -4.300 1.00 15.00 H C +ATOM 1963 C THR H 171 -8.767 35.966 -3.037 1.00 15.00 H C +ATOM 1964 O THR H 171 -9.015 36.512 -1.973 1.00 15.00 H O +ATOM 1965 N SER H 172 -9.690 35.290 -3.754 1.00 15.00 H N +ATOM 1966 HN SER H 172 -9.400 34.808 -4.557 1.00 15.00 H H +ATOM 1967 CA SER H 172 -11.115 35.246 -3.380 1.00 15.00 H C +ATOM 1968 CB SER H 172 -11.880 36.170 -4.329 1.00 15.00 H C +ATOM 1969 OG SER H 172 -11.712 35.744 -5.672 1.00 15.00 H O +ATOM 1970 HG SER H 172 -12.545 35.829 -6.142 1.00 15.00 H H +ATOM 1971 C SER H 172 -11.795 33.857 -3.365 1.00 15.00 H C +ATOM 1972 O SER H 172 -12.998 33.768 -3.101 1.00 15.00 H O +ATOM 1973 N LYS H 173 -11.057 32.793 -3.659 1.00 15.00 H N +ATOM 1974 HN LYS H 173 -10.100 32.904 -3.836 1.00 15.00 H H +ATOM 1975 CA LYS H 173 -11.650 31.460 -3.722 1.00 15.00 H C +ATOM 1976 CB LYS H 173 -10.972 30.579 -4.782 1.00 15.00 H C +ATOM 1977 CG LYS H 173 -11.025 31.165 -6.194 1.00 15.00 H C +ATOM 1978 CD LYS H 173 -10.578 30.183 -7.258 1.00 15.00 H C +ATOM 1979 CE LYS H 173 -10.619 30.800 -8.632 1.00 15.00 H C +ATOM 1980 NZ LYS H 173 -10.111 29.864 -9.668 1.00 15.00 H N +ATOM 1981 HZ1 LYS H 173 -10.150 30.313 -10.605 1.00 15.00 H H +ATOM 1982 HZ2 LYS H 173 -10.691 29.001 -9.685 1.00 15.00 H H +ATOM 1983 HZ3 LYS H 173 -9.126 29.602 -9.461 1.00 15.00 H H +ATOM 1984 C LYS H 173 -11.665 30.810 -2.348 1.00 15.00 H C +ATOM 1985 O LYS H 173 -10.650 30.754 -1.667 1.00 15.00 H O +ATOM 1986 N LEU H 174 -12.833 30.360 -1.927 1.00 15.00 H N +ATOM 1987 HN LEU H 174 -13.612 30.453 -2.514 1.00 15.00 H H +ATOM 1988 CA LEU H 174 -13.010 29.731 -0.626 1.00 15.00 H C +ATOM 1989 CB LEU H 174 -14.493 29.886 -0.248 1.00 15.00 H C +ATOM 1990 CG LEU H 174 -14.952 29.471 1.141 1.00 15.00 H C +ATOM 1991 CD1 LEU H 174 -14.502 30.472 2.187 1.00 15.00 H C +ATOM 1992 CD2 LEU H 174 -16.467 29.402 1.184 1.00 15.00 H C +ATOM 1993 C LEU H 174 -12.593 28.249 -0.684 1.00 15.00 H C +ATOM 1994 O LEU H 174 -13.073 27.511 -1.542 1.00 15.00 H O +ATOM 1995 N HIS H 175 -11.728 27.812 0.244 1.00 15.00 H N +ATOM 1996 HN HIS H 175 -11.356 28.451 0.887 1.00 15.00 H H +ATOM 1997 CA HIS H 175 -11.324 26.407 0.322 1.00 15.00 H C +ATOM 1998 CB HIS H 175 -10.138 26.221 1.287 1.00 15.00 H C +ATOM 1999 CG HIS H 175 -9.642 24.807 1.395 1.00 15.00 H C +ATOM 2000 ND1 HIS H 175 -9.204 24.109 0.290 1.00 15.00 H N +ATOM 2001 HD1 HIS H 175 -9.177 24.419 -0.639 1.00 15.00 H H +ATOM 2002 CD2 HIS H 175 -9.485 24.029 2.491 1.00 15.00 H C +ATOM 2003 CE1 HIS H 175 -8.825 22.923 0.739 1.00 15.00 H C +ATOM 2004 NE2 HIS H 175 -8.964 22.835 2.057 1.00 15.00 H N +ATOM 2005 HE2 HIS H 175 -8.736 22.061 2.613 1.00 15.00 H H +ATOM 2006 C HIS H 175 -12.534 25.586 0.769 1.00 15.00 H C +ATOM 2007 O HIS H 175 -13.349 26.066 1.561 1.00 15.00 H O +ATOM 2008 N SER H 176 -12.707 24.395 0.180 1.00 15.00 H N +ATOM 2009 HN SER H 176 -12.065 24.111 -0.503 1.00 15.00 H H +ATOM 2010 CA SER H 176 -13.819 23.498 0.516 1.00 15.00 H C +ATOM 2011 CB SER H 176 -13.687 22.194 -0.257 1.00 15.00 H C +ATOM 2012 OG SER H 176 -14.518 22.197 -1.405 1.00 15.00 H O +ATOM 2013 HG SER H 176 -14.342 21.413 -1.930 1.00 15.00 H H +ATOM 2014 C SER H 176 -13.853 23.227 2.030 1.00 15.00 H C +ATOM 2015 O SER H 176 -12.805 22.974 2.625 1.00 15.00 H O +ATOM 2016 N GLY H 177 -15.034 23.369 2.637 1.00 15.00 H N +ATOM 2017 HN GLY H 177 -15.801 23.633 2.087 1.00 15.00 H H +ATOM 2018 CA GLY H 177 -15.249 23.154 4.068 1.00 15.00 H C +ATOM 2019 C GLY H 177 -15.171 24.399 4.931 1.00 15.00 H C +ATOM 2020 O GLY H 177 -15.554 24.367 6.103 1.00 15.00 H O +ATOM 2021 N VAL H 178 -14.665 25.508 4.362 1.00 15.00 H N +ATOM 2022 HN VAL H 178 -14.379 25.461 3.426 1.00 15.00 H H +ATOM 2023 CA VAL H 178 -14.519 26.784 5.071 1.00 15.00 H C +ATOM 2024 CB VAL H 178 -13.347 27.623 4.471 1.00 15.00 H C +ATOM 2025 CG1 VAL H 178 -13.209 28.999 5.130 1.00 15.00 H C +ATOM 2026 CG2 VAL H 178 -12.032 26.856 4.575 1.00 15.00 H C +ATOM 2027 C VAL H 178 -15.875 27.515 5.089 1.00 15.00 H C +ATOM 2028 O VAL H 178 -16.540 27.572 4.047 1.00 15.00 H O +ATOM 2029 N PRO H 179 -16.322 28.040 6.264 1.00 15.00 H N +ATOM 2030 CA PRO H 179 -17.613 28.761 6.315 1.00 15.00 H C +ATOM 2031 CB PRO H 179 -17.712 29.209 7.775 1.00 15.00 H C +ATOM 2032 CG PRO H 179 -16.801 28.293 8.524 1.00 15.00 H C +ATOM 2033 CD PRO H 179 -15.670 28.022 7.590 1.00 15.00 H C +ATOM 2034 C PRO H 179 -17.669 29.959 5.363 1.00 15.00 H C +ATOM 2035 O PRO H 179 -16.663 30.639 5.172 1.00 15.00 H O +ATOM 2036 N SER H 180 -18.852 30.212 4.770 1.00 15.00 H N +ATOM 2037 HN SER H 180 -19.610 29.637 5.007 1.00 15.00 H H +ATOM 2038 CA SER H 180 -19.092 31.285 3.795 1.00 15.00 H C +ATOM 2039 CB SER H 180 -20.452 31.109 3.117 1.00 15.00 H C +ATOM 2040 OG SER H 180 -21.522 31.035 4.046 1.00 15.00 H O +ATOM 2041 HG SER H 180 -22.085 31.807 3.949 1.00 15.00 H H +ATOM 2042 C SER H 180 -18.938 32.716 4.355 1.00 15.00 H C +ATOM 2043 O SER H 180 -18.839 33.659 3.567 1.00 15.00 H O +ATOM 2044 N ARG H 181 -18.854 32.877 5.700 1.00 15.00 H N +ATOM 2045 HN ARG H 181 -18.939 32.085 6.271 1.00 15.00 H H +ATOM 2046 CA ARG H 181 -18.642 34.182 6.341 1.00 15.00 H C +ATOM 2047 CB ARG H 181 -18.935 34.123 7.855 1.00 15.00 H C +ATOM 2048 CG ARG H 181 -17.946 33.299 8.671 1.00 15.00 H C +ATOM 2049 CD ARG H 181 -18.218 33.422 10.158 1.00 15.00 H C +ATOM 2050 NE ARG H 181 -17.374 32.514 10.941 1.00 15.00 H N +ATOM 2051 HE ARG H 181 -16.530 32.870 11.289 1.00 15.00 H H +ATOM 2052 CZ ARG H 181 -17.687 31.250 11.202 1.00 15.00 H C +ATOM 2053 NH1 ARG H 181 -18.828 30.734 10.755 1.00 15.00 H N +ATOM 2054 HH11 ARG H 181 -19.067 29.743 10.963 1.00 15.00 H H +ATOM 2055 HH12 ARG H 181 -19.481 31.321 10.198 1.00 15.00 H H +ATOM 2056 NH2 ARG H 181 -16.869 30.493 11.920 1.00 15.00 H N +ATOM 2057 HH21 ARG H 181 -17.119 29.504 12.122 1.00 15.00 H H +ATOM 2058 HH22 ARG H 181 -15.978 30.888 12.282 1.00 15.00 H H +ATOM 2059 C ARG H 181 -17.224 34.727 6.034 1.00 15.00 H C +ATOM 2060 O ARG H 181 -16.962 35.925 6.203 1.00 15.00 H O +ATOM 2061 N PHE H 182 -16.324 33.834 5.578 1.00 15.00 H N +ATOM 2062 HN PHE H 182 -16.595 32.894 5.517 1.00 15.00 H H +ATOM 2063 CA PHE H 182 -14.965 34.187 5.169 1.00 15.00 H C +ATOM 2064 CB PHE H 182 -13.981 33.034 5.434 1.00 15.00 H C +ATOM 2065 CG PHE H 182 -13.661 32.827 6.887 1.00 15.00 H C +ATOM 2066 CD1 PHE H 182 -12.685 33.593 7.517 1.00 15.00 H C +ATOM 2067 CD2 PHE H 182 -14.336 31.868 7.633 1.00 15.00 H C +ATOM 2068 CE1 PHE H 182 -12.393 33.406 8.866 1.00 15.00 H C +ATOM 2069 CE2 PHE H 182 -14.043 31.682 8.983 1.00 15.00 H C +ATOM 2070 CZ PHE H 182 -13.075 32.455 9.591 1.00 15.00 H C +ATOM 2071 C PHE H 182 -14.963 34.496 3.690 1.00 15.00 H C +ATOM 2072 O PHE H 182 -15.468 33.698 2.896 1.00 15.00 H O +ATOM 2073 N SER H 183 -14.394 35.643 3.317 1.00 15.00 H N +ATOM 2074 HN SER H 183 -14.051 36.242 4.012 1.00 15.00 H H +ATOM 2075 CA SER H 183 -14.258 36.050 1.912 1.00 15.00 H C +ATOM 2076 CB SER H 183 -15.447 36.899 1.464 1.00 15.00 H C +ATOM 2077 OG SER H 183 -15.417 38.191 2.046 1.00 15.00 H O +ATOM 2078 HG SER H 183 -15.229 38.844 1.368 1.00 15.00 H H +ATOM 2079 C SER H 183 -12.944 36.809 1.743 1.00 15.00 H C +ATOM 2080 O SER H 183 -12.357 37.244 2.736 1.00 15.00 H O +ATOM 2081 N GLY H 184 -12.477 36.913 0.503 1.00 15.00 H N +ATOM 2082 HN GLY H 184 -12.983 36.491 -0.222 1.00 15.00 H H +ATOM 2083 CA GLY H 184 -11.250 37.625 0.180 1.00 15.00 H C +ATOM 2084 C GLY H 184 -11.409 38.517 -1.033 1.00 15.00 H C +ATOM 2085 O GLY H 184 -12.174 38.197 -1.940 1.00 15.00 H O +ATOM 2086 N SER H 185 -10.691 39.646 -1.054 1.00 15.00 H N +ATOM 2087 HN SER H 185 -10.111 39.840 -0.288 1.00 15.00 H H +ATOM 2088 CA SER H 185 -10.722 40.608 -2.156 1.00 15.00 H C +ATOM 2089 CB SER H 185 -11.763 41.692 -1.888 1.00 15.00 H C +ATOM 2090 OG SER H 185 -11.467 42.375 -0.680 1.00 15.00 H O +ATOM 2091 HG SER H 185 -12.013 42.025 0.028 1.00 15.00 H H +ATOM 2092 C SER H 185 -9.341 41.238 -2.346 1.00 15.00 H C +ATOM 2093 O SER H 185 -8.438 41.034 -1.524 1.00 15.00 H O +ATOM 2094 N GLY H 186 -9.199 41.995 -3.417 1.00 15.00 H N +ATOM 2095 HN GLY H 186 -9.962 42.083 -4.026 1.00 15.00 H H +ATOM 2096 CA GLY H 186 -7.972 42.700 -3.734 1.00 15.00 H C +ATOM 2097 C GLY H 186 -7.440 42.449 -5.125 1.00 15.00 H C +ATOM 2098 O GLY H 186 -8.000 41.656 -5.894 1.00 15.00 H O +ATOM 2099 N SER H 187 -6.354 43.167 -5.452 1.00 15.00 H N +ATOM 2100 HN SER H 187 -6.009 43.784 -4.773 1.00 15.00 H H +ATOM 2101 CA SER H 187 -5.635 43.116 -6.729 1.00 15.00 H C +ATOM 2102 CB SER H 187 -6.484 43.708 -7.858 1.00 15.00 H C +ATOM 2103 OG SER H 187 -6.845 45.054 -7.595 1.00 15.00 H O +ATOM 2104 HG SER H 187 -7.043 45.156 -6.661 1.00 15.00 H H +ATOM 2105 C SER H 187 -4.330 43.910 -6.571 1.00 15.00 H C +ATOM 2106 O SER H 187 -4.208 44.727 -5.659 1.00 15.00 H O +ATOM 2107 N GLY H 188 -3.382 43.668 -7.466 1.00 15.00 H N +ATOM 2108 HN GLY H 188 -3.569 43.000 -8.158 1.00 15.00 H H +ATOM 2109 CA GLY H 188 -2.087 44.330 -7.484 1.00 15.00 H C +ATOM 2110 C GLY H 188 -1.310 44.048 -6.216 1.00 15.00 H C +ATOM 2111 O GLY H 188 -0.804 42.933 -6.033 1.00 15.00 H O +ATOM 2112 N THR H 189 -1.287 45.047 -5.304 1.00 15.00 H N +ATOM 2113 HN THR H 189 -1.779 45.871 -5.504 1.00 15.00 H H +ATOM 2114 CA THR H 189 -0.563 44.959 -4.031 1.00 15.00 H C +ATOM 2115 CB THR H 189 0.443 46.126 -3.914 1.00 15.00 H C +ATOM 2116 OG1 THR H 189 -0.281 47.351 -3.796 1.00 15.00 H O +ATOM 2117 HG1 THR H 189 -0.884 47.439 -4.538 1.00 15.00 H H +ATOM 2118 CG2 THR H 189 1.433 46.194 -5.086 1.00 15.00 H C +ATOM 2119 C THR H 189 -1.448 44.914 -2.770 1.00 15.00 H C +ATOM 2120 O THR H 189 -0.940 44.534 -1.724 1.00 15.00 H O +ATOM 2121 N ASP H 190 -2.723 45.355 -2.836 1.00 15.00 H N +ATOM 2122 HN ASP H 190 -3.082 45.632 -3.705 1.00 15.00 H H +ATOM 2123 CA ASP H 190 -3.592 45.435 -1.654 1.00 15.00 H C +ATOM 2124 CB ASP H 190 -4.250 46.821 -1.525 1.00 15.00 H C +ATOM 2125 CG ASP H 190 -3.282 47.966 -1.269 1.00 15.00 H C +ATOM 2126 OD1 ASP H 190 -2.427 47.834 -0.361 1.00 15.00 H O +ATOM 2127 OD2 ASP H 190 -3.405 49.009 -1.945 1.00 15.00 H O +ATOM 2128 C ASP H 190 -4.627 44.343 -1.592 1.00 15.00 H C +ATOM 2129 O ASP H 190 -5.376 44.151 -2.557 1.00 15.00 H O +ATOM 2130 N TYR H 191 -4.640 43.589 -0.468 1.00 15.00 H N +ATOM 2131 HN TYR H 191 -4.009 43.811 0.249 1.00 15.00 H H +ATOM 2132 CA TYR H 191 -5.549 42.459 -0.269 1.00 15.00 H C +ATOM 2133 CB TYR H 191 -4.806 41.113 -0.473 1.00 15.00 H C +ATOM 2134 CG TYR H 191 -4.257 40.996 -1.880 1.00 15.00 H C +ATOM 2135 CD1 TYR H 191 -5.034 40.467 -2.911 1.00 15.00 H C +ATOM 2136 CD2 TYR H 191 -3.027 41.557 -2.217 1.00 15.00 H C +ATOM 2137 CE1 TYR H 191 -4.584 40.468 -4.234 1.00 15.00 H C +ATOM 2138 CE2 TYR H 191 -2.586 41.597 -3.541 1.00 15.00 H C +ATOM 2139 CZ TYR H 191 -3.347 41.009 -4.539 1.00 15.00 H C +ATOM 2140 OH TYR H 191 -2.890 41.017 -5.838 1.00 15.00 H O +ATOM 2141 HH TYR H 191 -1.961 40.776 -5.852 1.00 15.00 H H +ATOM 2142 C TYR H 191 -6.245 42.509 1.083 1.00 15.00 H C +ATOM 2143 O TYR H 191 -5.680 43.024 2.056 1.00 15.00 H O +ATOM 2144 N THR H 192 -7.464 41.947 1.148 1.00 15.00 H N +ATOM 2145 HN THR H 192 -7.833 41.533 0.340 1.00 15.00 H H +ATOM 2146 CA THR H 192 -8.261 41.926 2.368 1.00 15.00 H C +ATOM 2147 CB THR H 192 -9.276 43.109 2.389 1.00 15.00 H C +ATOM 2148 OG1 THR H 192 -8.619 44.347 2.108 1.00 15.00 H O +ATOM 2149 HG1 THR H 192 -9.095 44.812 1.416 1.00 15.00 H H +ATOM 2150 CG2 THR H 192 -10.030 43.225 3.714 1.00 15.00 H C +ATOM 2151 C THR H 192 -8.978 40.610 2.589 1.00 15.00 H C +ATOM 2152 O THR H 192 -9.608 40.079 1.677 1.00 15.00 H O +ATOM 2153 N LEU H 193 -8.900 40.110 3.823 1.00 15.00 H N +ATOM 2154 HN LEU H 193 -8.298 40.552 4.457 1.00 15.00 H H +ATOM 2155 CA LEU H 193 -9.646 38.955 4.292 1.00 15.00 H C +ATOM 2156 CB LEU H 193 -8.790 38.035 5.178 1.00 15.00 H C +ATOM 2157 CG LEU H 193 -9.533 36.872 5.848 1.00 15.00 H C +ATOM 2158 CD1 LEU H 193 -9.912 35.784 4.839 1.00 15.00 H C +ATOM 2159 CD2 LEU H 193 -8.696 36.271 6.931 1.00 15.00 H C +ATOM 2160 C LEU H 193 -10.776 39.550 5.120 1.00 15.00 H C +ATOM 2161 O LEU H 193 -10.497 40.352 6.010 1.00 15.00 H O +ATOM 2162 N THR H 194 -12.031 39.192 4.807 1.00 15.00 H N +ATOM 2163 HN THR H 194 -12.171 38.579 4.056 1.00 15.00 H H +ATOM 2164 CA THR H 194 -13.196 39.679 5.540 1.00 15.00 H C +ATOM 2165 CB THR H 194 -14.144 40.506 4.618 1.00 15.00 H C +ATOM 2166 OG1 THR H 194 -13.416 41.552 3.970 1.00 15.00 H O +ATOM 2167 HG1 THR H 194 -12.571 41.213 3.666 1.00 15.00 H H +ATOM 2168 CG2 THR H 194 -15.322 41.121 5.376 1.00 15.00 H C +ATOM 2169 C THR H 194 -13.938 38.531 6.223 1.00 15.00 H C +ATOM 2170 O THR H 194 -14.139 37.469 5.631 1.00 15.00 H O +ATOM 2171 N ILE H 195 -14.365 38.769 7.465 1.00 15.00 H N +ATOM 2172 HN ILE H 195 -14.076 39.600 7.896 1.00 15.00 H H +ATOM 2173 CA ILE H 195 -15.230 37.879 8.222 1.00 15.00 H C +ATOM 2174 CB ILE H 195 -14.630 37.426 9.579 1.00 15.00 H C +ATOM 2175 CG1 ILE H 195 -13.176 36.913 9.404 1.00 15.00 H C +ATOM 2176 CG2 ILE H 195 -15.525 36.355 10.238 1.00 15.00 H C +ATOM 2177 CD1 ILE H 195 -12.402 36.611 10.740 1.00 15.00 H C +ATOM 2178 C ILE H 195 -16.505 38.722 8.358 1.00 15.00 H C +ATOM 2179 O ILE H 195 -16.486 39.753 9.037 1.00 15.00 H O +ATOM 2180 N SER H 196 -17.561 38.351 7.612 1.00 15.00 H N +ATOM 2181 HN SER H 196 -17.481 37.530 7.083 1.00 15.00 H H +ATOM 2182 CA SER H 196 -18.826 39.094 7.536 1.00 15.00 H C +ATOM 2183 CB SER H 196 -19.765 38.456 6.518 1.00 15.00 H C +ATOM 2184 OG SER H 196 -20.247 37.189 6.935 1.00 15.00 H O +ATOM 2185 HG SER H 196 -19.795 36.923 7.739 1.00 15.00 H H +ATOM 2186 C SER H 196 -19.518 39.282 8.890 1.00 15.00 H C +ATOM 2187 O SER H 196 -19.950 40.394 9.202 1.00 15.00 H O +ATOM 2188 N SER H 197 -19.604 38.200 9.686 1.00 15.00 H N +ATOM 2189 HN SER H 197 -19.248 37.354 9.343 1.00 15.00 H H +ATOM 2190 CA SER H 197 -20.189 38.196 11.022 1.00 15.00 H C +ATOM 2191 CB SER H 197 -21.647 37.736 10.982 1.00 15.00 H C +ATOM 2192 OG SER H 197 -22.192 37.626 12.289 1.00 15.00 H O +ATOM 2193 HG SER H 197 -22.868 38.296 12.412 1.00 15.00 H H +ATOM 2194 C SER H 197 -19.328 37.286 11.899 1.00 15.00 H C +ATOM 2195 O SER H 197 -19.449 36.059 11.835 1.00 15.00 H O +ATOM 2196 N LEU H 198 -18.425 37.896 12.682 1.00 15.00 H N +ATOM 2197 HN LEU H 198 -18.397 38.876 12.677 1.00 15.00 H H +ATOM 2198 CA LEU H 198 -17.474 37.182 13.548 1.00 15.00 H C +ATOM 2199 CB LEU H 198 -16.586 38.197 14.294 1.00 15.00 H C +ATOM 2200 CG LEU H 198 -15.392 37.621 15.049 1.00 15.00 H C +ATOM 2201 CD1 LEU H 198 -14.280 37.257 14.087 1.00 15.00 H C +ATOM 2202 CD2 LEU H 198 -14.911 38.580 16.093 1.00 15.00 H C +ATOM 2203 C LEU H 198 -18.132 36.201 14.549 1.00 15.00 H C +ATOM 2204 O LEU H 198 -19.151 36.533 15.149 1.00 15.00 H O +ATOM 2205 N GLN H 199 -17.542 34.994 14.701 1.00 15.00 H N +ATOM 2206 HN GLN H 199 -16.753 34.801 14.153 1.00 15.00 H H +ATOM 2207 CA GLN H 199 -18.000 33.951 15.630 1.00 15.00 H C +ATOM 2208 CB GLN H 199 -18.347 32.651 14.879 1.00 15.00 H C +ATOM 2209 CG GLN H 199 -19.474 32.781 13.840 1.00 15.00 H C +ATOM 2210 CD GLN H 199 -20.815 33.169 14.422 1.00 15.00 H C +ATOM 2211 OE1 GLN H 199 -21.313 34.277 14.198 1.00 15.00 H O +ATOM 2212 NE2 GLN H 199 -21.430 32.268 15.176 1.00 15.00 H N +ATOM 2213 HE21 GLN H 199 -20.989 31.404 15.317 1.00 15.00 H H +ATOM 2214 HE22 GLN H 199 -22.300 32.503 15.561 1.00 15.00 H H +ATOM 2215 C GLN H 199 -16.927 33.694 16.692 1.00 15.00 H C +ATOM 2216 O GLN H 199 -15.751 33.981 16.455 1.00 15.00 H O +ATOM 2217 N GLN H 200 -17.318 33.163 17.870 1.00 15.00 H N +ATOM 2218 HN GLN H 200 -18.264 32.944 18.002 1.00 15.00 H H +ATOM 2219 CA GLN H 200 -16.368 32.903 18.961 1.00 15.00 H C +ATOM 2220 CB GLN H 200 -17.077 32.436 20.248 1.00 15.00 H C +ATOM 2221 CG GLN H 200 -17.879 31.139 20.119 1.00 15.00 H C +ATOM 2222 CD GLN H 200 -18.883 30.940 21.233 1.00 15.00 H C +ATOM 2223 OE1 GLN H 200 -19.497 31.890 21.745 1.00 15.00 H O +ATOM 2224 NE2 GLN H 200 -19.118 29.685 21.590 1.00 15.00 H N +ATOM 2225 HE21 GLN H 200 -18.637 28.972 21.120 1.00 15.00 H H +ATOM 2226 HE22 GLN H 200 -19.764 29.521 22.309 1.00 15.00 H H +ATOM 2227 C GLN H 200 -15.216 31.948 18.564 1.00 15.00 H C +ATOM 2228 O GLN H 200 -14.091 32.141 19.026 1.00 15.00 H O +ATOM 2229 N GLU H 201 -15.481 30.981 17.654 1.00 15.00 H N +ATOM 2230 HN GLU H 201 -16.391 30.921 17.296 1.00 15.00 H H +ATOM 2231 CA GLU H 201 -14.487 30.021 17.175 1.00 15.00 H C +ATOM 2232 CB GLU H 201 -15.160 28.771 16.564 1.00 15.00 H C +ATOM 2233 CG GLU H 201 -16.109 29.059 15.407 1.00 15.00 H C +ATOM 2234 CD GLU H 201 -17.585 28.989 15.756 1.00 15.00 H C +ATOM 2235 OE1 GLU H 201 -17.986 29.516 16.822 1.00 15.00 H O +ATOM 2236 OE2 GLU H 201 -18.348 28.418 14.942 1.00 15.00 H O +ATOM 2237 C GLU H 201 -13.452 30.628 16.201 1.00 15.00 H C +ATOM 2238 O GLU H 201 -12.489 29.942 15.833 1.00 15.00 H O +ATOM 2239 N ASP H 202 -13.642 31.908 15.806 1.00 15.00 H N +ATOM 2240 HN ASP H 202 -14.408 32.396 16.175 1.00 15.00 H H +ATOM 2241 CA ASP H 202 -12.769 32.610 14.857 1.00 15.00 H C +ATOM 2242 CB ASP H 202 -13.557 33.682 14.082 1.00 15.00 H C +ATOM 2243 CG ASP H 202 -14.642 33.116 13.183 1.00 15.00 H C +ATOM 2244 OD1 ASP H 202 -14.580 31.905 12.862 1.00 15.00 H O +ATOM 2245 OD2 ASP H 202 -15.574 33.878 12.823 1.00 15.00 H O +ATOM 2246 C ASP H 202 -11.491 33.190 15.482 1.00 15.00 H C +ATOM 2247 O ASP H 202 -10.666 33.757 14.759 1.00 15.00 H O +ATOM 2248 N PHE H 203 -11.305 33.031 16.809 1.00 15.00 H N +ATOM 2249 HN PHE H 203 -12.013 32.610 17.339 1.00 15.00 H H +ATOM 2250 CA PHE H 203 -10.080 33.467 17.484 1.00 15.00 H C +ATOM 2251 CB PHE H 203 -10.165 33.221 19.010 1.00 15.00 H C +ATOM 2252 CG PHE H 203 -8.848 32.942 19.694 1.00 15.00 H C +ATOM 2253 CD1 PHE H 203 -7.910 33.957 19.877 1.00 15.00 H C +ATOM 2254 CD2 PHE H 203 -8.546 31.670 20.163 1.00 15.00 H C +ATOM 2255 CE1 PHE H 203 -6.686 33.697 20.500 1.00 15.00 H C +ATOM 2256 CE2 PHE H 203 -7.328 31.414 20.799 1.00 15.00 H C +ATOM 2257 CZ PHE H 203 -6.408 32.428 20.969 1.00 15.00 H C +ATOM 2258 C PHE H 203 -8.940 32.666 16.867 1.00 15.00 H C +ATOM 2259 O PHE H 203 -8.976 31.438 16.869 1.00 15.00 H O +ATOM 2260 N ALA H 204 -7.958 33.365 16.294 1.00 15.00 H N +ATOM 2261 HN ALA H 204 -7.993 34.343 16.337 1.00 15.00 H H +ATOM 2262 CA ALA H 204 -6.833 32.737 15.606 1.00 15.00 H C +ATOM 2263 CB ALA H 204 -7.345 31.979 14.380 1.00 15.00 H C +ATOM 2264 C ALA H 204 -5.888 33.814 15.131 1.00 15.00 H C +ATOM 2265 O ALA H 204 -6.214 35.003 15.238 1.00 15.00 H O +ATOM 2266 N THR H 205 -4.747 33.396 14.553 1.00 15.00 H N +ATOM 2267 HN THR H 205 -4.538 32.439 14.576 1.00 15.00 H H +ATOM 2268 CA THR H 205 -3.802 34.298 13.891 1.00 15.00 H C +ATOM 2269 CB THR H 205 -2.362 34.088 14.383 1.00 15.00 H C +ATOM 2270 OG1 THR H 205 -2.333 34.311 15.794 1.00 15.00 H O +ATOM 2271 HG1 THR H 205 -2.834 35.102 16.004 1.00 15.00 H H +ATOM 2272 CG2 THR H 205 -1.377 35.046 13.723 1.00 15.00 H C +ATOM 2273 C THR H 205 -3.970 34.042 12.390 1.00 15.00 H C +ATOM 2274 O THR H 205 -3.977 32.880 11.956 1.00 15.00 H O +ATOM 2275 N TYR H 206 -4.086 35.120 11.604 1.00 15.00 H N +ATOM 2276 HN TYR H 206 -4.011 36.007 12.014 1.00 15.00 H H +ATOM 2277 CA TYR H 206 -4.320 35.037 10.156 1.00 15.00 H C +ATOM 2278 CB TYR H 206 -5.562 35.869 9.790 1.00 15.00 H C +ATOM 2279 CG TYR H 206 -6.833 35.319 10.404 1.00 15.00 H C +ATOM 2280 CD1 TYR H 206 -7.633 34.415 9.708 1.00 15.00 H C +ATOM 2281 CD2 TYR H 206 -7.168 35.594 11.730 1.00 15.00 H C +ATOM 2282 CE1 TYR H 206 -8.804 33.901 10.269 1.00 15.00 H C +ATOM 2283 CE2 TYR H 206 -8.330 35.071 12.308 1.00 15.00 H C +ATOM 2284 CZ TYR H 206 -9.130 34.206 11.582 1.00 15.00 H C +ATOM 2285 OH TYR H 206 -10.265 33.672 12.137 1.00 15.00 H O +ATOM 2286 HH TYR H 206 -10.441 32.816 11.744 1.00 15.00 H H +ATOM 2287 C TYR H 206 -3.095 35.508 9.394 1.00 15.00 H C +ATOM 2288 O TYR H 206 -2.552 36.558 9.726 1.00 15.00 H O +ATOM 2289 N PHE H 207 -2.630 34.707 8.409 1.00 15.00 H N +ATOM 2290 HN PHE H 207 -3.117 33.880 8.209 1.00 15.00 H H +ATOM 2291 CA PHE H 207 -1.429 35.019 7.625 1.00 15.00 H C +ATOM 2292 CB PHE H 207 -0.366 33.912 7.835 1.00 15.00 H C +ATOM 2293 CG PHE H 207 0.176 33.755 9.234 1.00 15.00 H C +ATOM 2294 CD1 PHE H 207 1.251 34.520 9.667 1.00 15.00 H C +ATOM 2295 CD2 PHE H 207 -0.378 32.829 10.113 1.00 15.00 H C +ATOM 2296 CE1 PHE H 207 1.771 34.357 10.952 1.00 15.00 H C +ATOM 2297 CE2 PHE H 207 0.138 32.674 11.402 1.00 15.00 H C +ATOM 2298 CZ PHE H 207 1.213 33.437 11.810 1.00 15.00 H C +ATOM 2299 C PHE H 207 -1.770 35.018 6.137 1.00 15.00 H C +ATOM 2300 O PHE H 207 -2.465 34.114 5.681 1.00 15.00 H O +ATOM 2301 N CYS H 208 -1.220 35.974 5.387 1.00 15.00 H N +ATOM 2302 HN CYS H 208 -0.721 36.691 5.831 1.00 15.00 H H +ATOM 2303 CA CYS H 208 -1.331 35.995 3.933 1.00 15.00 H C +ATOM 2304 C CYS H 208 -0.010 35.435 3.385 1.00 15.00 H C +ATOM 2305 O CYS H 208 1.007 35.461 4.088 1.00 15.00 H O +ATOM 2306 CB CYS H 208 -1.634 37.395 3.395 1.00 15.00 H C +ATOM 2307 SG CYS H 208 -0.385 38.651 3.792 1.00 15.00 H S +ATOM 2308 N LEU H 209 -0.037 34.912 2.150 1.00 15.00 H N +ATOM 2309 HN LEU H 209 -0.892 34.918 1.671 1.00 15.00 H H +ATOM 2310 CA LEU H 209 1.117 34.336 1.471 1.00 15.00 H C +ATOM 2311 CB LEU H 209 1.059 32.798 1.583 1.00 15.00 H C +ATOM 2312 CG LEU H 209 2.059 31.975 0.734 1.00 15.00 H C +ATOM 2313 CD1 LEU H 209 3.521 32.171 1.235 1.00 15.00 H C +ATOM 2314 CD2 LEU H 209 1.662 30.480 0.739 1.00 15.00 H C +ATOM 2315 C LEU H 209 1.076 34.735 0.009 1.00 15.00 H C +ATOM 2316 O LEU H 209 0.028 34.595 -0.617 1.00 15.00 H O +ATOM 2317 N GLN H 210 2.214 35.160 -0.548 1.00 15.00 H N +ATOM 2318 HN GLN H 210 3.017 35.264 0.005 1.00 15.00 H H +ATOM 2319 CA GLN H 210 2.271 35.472 -1.978 1.00 15.00 H C +ATOM 2320 CB GLN H 210 2.964 36.830 -2.272 1.00 15.00 H C +ATOM 2321 CG GLN H 210 4.480 36.927 -1.954 1.00 15.00 H C +ATOM 2322 CD GLN H 210 5.427 36.333 -2.977 1.00 15.00 H C +ATOM 2323 OE1 GLN H 210 5.069 36.055 -4.137 1.00 15.00 H O +ATOM 2324 NE2 GLN H 210 6.656 36.056 -2.548 1.00 15.00 H N +ATOM 2325 HE21 GLN H 210 6.874 36.249 -1.612 1.00 15.00 H H +ATOM 2326 HE22 GLN H 210 7.293 35.671 -3.185 1.00 15.00 H H +ATOM 2327 C GLN H 210 2.929 34.314 -2.710 1.00 15.00 H C +ATOM 2328 O GLN H 210 3.907 33.740 -2.209 1.00 15.00 H O +ATOM 2329 N GLY H 211 2.385 33.978 -3.873 1.00 15.00 H N +ATOM 2330 HN GLY H 211 1.577 34.451 -4.162 1.00 15.00 H H +ATOM 2331 CA GLY H 211 2.939 32.935 -4.737 1.00 15.00 H C +ATOM 2332 C GLY H 211 3.388 33.472 -6.079 1.00 15.00 H C +ATOM 2333 O GLY H 211 3.546 32.707 -7.032 1.00 15.00 H O +ATOM 2334 N LYS H 212 3.565 34.799 -6.175 1.00 15.00 H N +ATOM 2335 HN LYS H 212 3.402 35.352 -5.382 1.00 15.00 H H +ATOM 2336 CA LYS H 212 3.991 35.459 -7.413 1.00 15.00 H C +ATOM 2337 CB LYS H 212 3.771 36.977 -7.316 1.00 15.00 H C +ATOM 2338 CG LYS H 212 4.274 37.812 -8.527 1.00 15.00 H C +ATOM 2339 CD LYS H 212 3.493 37.537 -9.825 1.00 15.00 H C +ATOM 2340 CE LYS H 212 3.995 38.440 -10.933 1.00 15.00 H C +ATOM 2341 NZ LYS H 212 3.114 38.348 -12.131 1.00 15.00 H N +ATOM 2342 HZ1 LYS H 212 3.123 37.378 -12.508 1.00 15.00 H H +ATOM 2343 HZ2 LYS H 212 3.447 38.998 -12.871 1.00 15.00 H H +ATOM 2344 HZ3 LYS H 212 2.138 38.601 -11.877 1.00 15.00 H H +ATOM 2345 C LYS H 212 5.455 35.164 -7.745 1.00 15.00 H C +ATOM 2346 O LYS H 212 5.790 34.917 -8.905 1.00 15.00 H O +ATOM 2347 N MET H 213 6.329 35.231 -6.740 1.00 15.00 H N +ATOM 2348 HN MET H 213 6.019 35.404 -5.826 1.00 15.00 H H +ATOM 2349 CA MET H 213 7.751 35.044 -7.012 1.00 15.00 H C +ATOM 2350 CB MET H 213 8.400 36.423 -7.259 1.00 15.00 H C +ATOM 2351 CG MET H 213 9.852 36.344 -7.721 1.00 15.00 H C +ATOM 2352 SD MET H 213 10.688 37.934 -7.687 1.00 15.00 H S +ATOM 2353 CE MET H 213 10.760 38.224 -6.051 1.00 15.00 H C +ATOM 2354 C MET H 213 8.471 34.332 -5.887 1.00 15.00 H C +ATOM 2355 O MET H 213 8.207 34.605 -4.713 1.00 15.00 H O +ATOM 2356 N LEU H 214 9.412 33.440 -6.248 1.00 15.00 H N +ATOM 2357 HN LEU H 214 9.528 33.225 -7.197 1.00 15.00 H H +ATOM 2358 CA LEU H 214 10.267 32.783 -5.256 1.00 15.00 H C +ATOM 2359 CB LEU H 214 11.011 31.578 -5.831 1.00 15.00 H C +ATOM 2360 CG LEU H 214 10.164 30.338 -6.129 1.00 15.00 H C +ATOM 2361 CD1 LEU H 214 10.844 29.481 -7.175 1.00 15.00 H C +ATOM 2362 CD2 LEU H 214 9.877 29.528 -4.850 1.00 15.00 H C +ATOM 2363 C LEU H 214 11.293 33.829 -4.774 1.00 15.00 H C +ATOM 2364 O LEU H 214 11.788 34.610 -5.589 1.00 15.00 H O +ATOM 2365 N PRO H 215 11.608 33.878 -3.468 1.00 15.00 H N +ATOM 2366 CA PRO H 215 11.070 33.027 -2.389 1.00 15.00 H C +ATOM 2367 CB PRO H 215 12.056 33.268 -1.233 1.00 15.00 H C +ATOM 2368 CG PRO H 215 12.543 34.668 -1.453 1.00 15.00 H C +ATOM 2369 CD PRO H 215 12.603 34.846 -2.956 1.00 15.00 H C +ATOM 2370 C PRO H 215 9.648 33.417 -1.994 1.00 15.00 H C +ATOM 2371 O PRO H 215 9.326 34.613 -1.918 1.00 15.00 H O +ATOM 2372 N TRP H 216 8.796 32.401 -1.725 1.00 15.00 H N +ATOM 2373 HN TRP H 216 9.106 31.477 -1.827 1.00 15.00 H H +ATOM 2374 CA TRP H 216 7.432 32.648 -1.288 1.00 15.00 H C +ATOM 2375 CB TRP H 216 6.601 31.367 -1.283 1.00 15.00 H C +ATOM 2376 CG TRP H 216 6.523 30.734 -2.646 1.00 15.00 H C +ATOM 2377 CD1 TRP H 216 6.365 31.369 -3.847 1.00 15.00 H C +ATOM 2378 CD2 TRP H 216 6.561 29.332 -2.932 1.00 15.00 H C +ATOM 2379 NE1 TRP H 216 6.322 30.448 -4.866 1.00 15.00 H N +ATOM 2380 HE1 TRP H 216 6.228 30.657 -5.819 1.00 15.00 H H +ATOM 2381 CE2 TRP H 216 6.454 29.188 -4.333 1.00 15.00 H C +ATOM 2382 CE3 TRP H 216 6.669 28.174 -2.133 1.00 15.00 H C +ATOM 2383 CZ2 TRP H 216 6.467 27.929 -4.960 1.00 15.00 H C +ATOM 2384 CZ3 TRP H 216 6.697 26.931 -2.753 1.00 15.00 H C +ATOM 2385 CH2 TRP H 216 6.611 26.819 -4.151 1.00 15.00 H C +ATOM 2386 C TRP H 216 7.523 33.261 0.088 1.00 15.00 H C +ATOM 2387 O TRP H 216 8.379 32.867 0.882 1.00 15.00 H O +ATOM 2388 N THR H 217 6.704 34.262 0.340 1.00 15.00 H N +ATOM 2389 HN THR H 217 6.025 34.509 -0.322 1.00 15.00 H H +ATOM 2390 CA THR H 217 6.793 35.008 1.592 1.00 15.00 H C +ATOM 2391 CB THR H 217 7.497 36.379 1.366 1.00 15.00 H C +ATOM 2392 OG1 THR H 217 6.883 37.076 0.277 1.00 15.00 H O +ATOM 2393 HG1 THR H 217 6.743 37.994 0.522 1.00 15.00 H H +ATOM 2394 CG2 THR H 217 8.994 36.248 1.106 1.00 15.00 H C +ATOM 2395 C THR H 217 5.458 35.189 2.233 1.00 15.00 H C +ATOM 2396 O THR H 217 4.456 35.378 1.539 1.00 15.00 H O +ATOM 2397 N PHE H 218 5.445 35.153 3.576 1.00 15.00 H N +ATOM 2398 HN PHE H 218 6.286 34.989 4.052 1.00 15.00 H H +ATOM 2399 CA PHE H 218 4.221 35.350 4.356 1.00 15.00 H C +ATOM 2400 CB PHE H 218 4.197 34.352 5.542 1.00 15.00 H C +ATOM 2401 CG PHE H 218 3.945 32.912 5.179 1.00 15.00 H C +ATOM 2402 CD1 PHE H 218 5.007 32.031 4.989 1.00 15.00 H C +ATOM 2403 CD2 PHE H 218 2.647 32.414 5.102 1.00 15.00 H C +ATOM 2404 CE1 PHE H 218 4.775 30.684 4.677 1.00 15.00 H C +ATOM 2405 CE2 PHE H 218 2.415 31.070 4.796 1.00 15.00 H C +ATOM 2406 CZ PHE H 218 3.480 30.214 4.572 1.00 15.00 H C +ATOM 2407 C PHE H 218 4.179 36.738 4.971 1.00 15.00 H C +ATOM 2408 O PHE H 218 5.235 37.328 5.266 1.00 15.00 H O +ATOM 2409 N GLY H 219 2.963 37.193 5.271 1.00 15.00 H N +ATOM 2410 HN GLY H 219 2.184 36.704 4.932 1.00 15.00 H H +ATOM 2411 CA GLY H 219 2.749 38.387 6.081 1.00 15.00 H C +ATOM 2412 C GLY H 219 3.129 38.006 7.508 1.00 15.00 H C +ATOM 2413 O GLY H 219 3.273 36.814 7.814 1.00 15.00 H O +ATOM 2414 N GLN H 220 3.306 38.989 8.401 1.00 15.00 H N +ATOM 2415 HN GLN H 220 3.154 39.917 8.126 1.00 15.00 H H +ATOM 2416 CA GLN H 220 3.724 38.711 9.788 1.00 15.00 H C +ATOM 2417 CB GLN H 220 4.271 39.981 10.469 1.00 15.00 H C +ATOM 2418 CG GLN H 220 5.326 40.709 9.669 1.00 15.00 H C +ATOM 2419 CD GLN H 220 4.767 41.880 8.887 1.00 15.00 H C +ATOM 2420 OE1 GLN H 220 3.675 41.830 8.310 1.00 15.00 H O +ATOM 2421 NE2 GLN H 220 5.520 42.952 8.831 1.00 15.00 H N +ATOM 2422 HE21 GLN H 220 6.386 42.934 9.290 1.00 15.00 H H +ATOM 2423 HE22 GLN H 220 5.186 43.727 8.332 1.00 15.00 H H +ATOM 2424 C GLN H 220 2.645 38.068 10.659 1.00 15.00 H C +ATOM 2425 O GLN H 220 2.948 37.522 11.731 1.00 15.00 H O +ATOM 2426 N GLY H 221 1.408 38.146 10.190 1.00 15.00 H N +ATOM 2427 HN GLY H 221 1.270 38.597 9.331 1.00 15.00 H H +ATOM 2428 CA GLY H 221 0.252 37.602 10.878 1.00 15.00 H C +ATOM 2429 C GLY H 221 -0.501 38.624 11.690 1.00 15.00 H C +ATOM 2430 O GLY H 221 0.099 39.544 12.242 1.00 15.00 H O +ATOM 2431 N THR H 222 -1.828 38.428 11.794 1.00 15.00 H N +ATOM 2432 HN THR H 222 -2.216 37.660 11.326 1.00 15.00 H H +ATOM 2433 CA THR H 222 -2.725 39.286 12.559 1.00 15.00 H C +ATOM 2434 CB THR H 222 -3.726 40.024 11.634 1.00 15.00 H C +ATOM 2435 OG1 THR H 222 -3.027 40.822 10.680 1.00 15.00 H O +ATOM 2436 HG1 THR H 222 -2.257 40.343 10.364 1.00 15.00 H H +ATOM 2437 CG2 THR H 222 -4.715 40.892 12.414 1.00 15.00 H C +ATOM 2438 C THR H 222 -3.452 38.392 13.538 1.00 15.00 H C +ATOM 2439 O THR H 222 -4.228 37.533 13.125 1.00 15.00 H O +ATOM 2440 N LYS H 223 -3.226 38.609 14.835 1.00 15.00 H N +ATOM 2441 HN LYS H 223 -2.609 39.323 15.100 1.00 15.00 H H +ATOM 2442 CA LYS H 223 -3.873 37.811 15.865 1.00 15.00 H C +ATOM 2443 CB LYS H 223 -2.962 37.661 17.095 1.00 15.00 H C +ATOM 2444 CG LYS H 223 -3.573 36.764 18.160 1.00 15.00 H C +ATOM 2445 CD LYS H 223 -2.753 36.792 19.448 1.00 15.00 H C +ATOM 2446 CE LYS H 223 -3.221 35.730 20.414 1.00 15.00 H C +ATOM 2447 NZ LYS H 223 -2.231 35.503 21.499 1.00 15.00 H N +ATOM 2448 HZ1 LYS H 223 -2.576 34.769 22.150 1.00 15.00 H H +ATOM 2449 HZ2 LYS H 223 -2.080 36.381 22.035 1.00 15.00 H H +ATOM 2450 HZ3 LYS H 223 -1.323 35.195 21.096 1.00 15.00 H H +ATOM 2451 C LYS H 223 -5.213 38.447 16.234 1.00 15.00 H C +ATOM 2452 O LYS H 223 -5.254 39.590 16.681 1.00 15.00 H O +ATOM 2453 N LEU H 224 -6.298 37.703 16.038 1.00 15.00 H N +ATOM 2454 HN LEU H 224 -6.185 36.788 15.705 1.00 15.00 H H +ATOM 2455 CA LEU H 224 -7.645 38.188 16.296 1.00 15.00 H C +ATOM 2456 CB LEU H 224 -8.530 37.891 15.076 1.00 15.00 H C +ATOM 2457 CG LEU H 224 -10.035 38.149 15.182 1.00 15.00 H C +ATOM 2458 CD1 LEU H 224 -10.355 39.658 15.295 1.00 15.00 H C +ATOM 2459 CD2 LEU H 224 -10.733 37.591 13.961 1.00 15.00 H C +ATOM 2460 C LEU H 224 -8.202 37.558 17.567 1.00 15.00 H C +ATOM 2461 O LEU H 224 -8.349 36.336 17.644 1.00 15.00 H O +ATOM 2462 N GLU H 225 -8.473 38.409 18.565 1.00 15.00 H N +ATOM 2463 HN GLU H 225 -8.288 39.358 18.405 1.00 15.00 H H +ATOM 2464 CA GLU H 225 -9.021 38.047 19.874 1.00 15.00 H C +ATOM 2465 CB GLU H 225 -8.310 38.878 20.961 1.00 15.00 H C +ATOM 2466 CG GLU H 225 -8.781 38.627 22.386 1.00 15.00 H C +ATOM 2467 CD GLU H 225 -8.870 39.831 23.309 1.00 15.00 H C +ATOM 2468 OE1 GLU H 225 -9.932 40.002 23.949 1.00 15.00 H O +ATOM 2469 OE2 GLU H 225 -7.880 40.593 23.405 1.00 15.00 H O +ATOM 2470 C GLU H 225 -10.522 38.349 19.869 1.00 15.00 H C +ATOM 2471 O GLU H 225 -10.956 39.297 19.217 1.00 15.00 H O +ATOM 2472 N ILE H 226 -11.306 37.550 20.597 1.00 15.00 H N +ATOM 2473 HN ILE H 226 -10.896 36.807 21.086 1.00 15.00 H H +ATOM 2474 CA ILE H 226 -12.750 37.740 20.693 1.00 15.00 H C +ATOM 2475 CB ILE H 226 -13.560 36.403 20.635 1.00 15.00 H C +ATOM 2476 CG1 ILE H 226 -13.110 35.475 19.460 1.00 15.00 H C +ATOM 2477 CG2 ILE H 226 -15.092 36.656 20.613 1.00 15.00 H C +ATOM 2478 CD1 ILE H 226 -13.377 35.934 17.990 1.00 15.00 H C +ATOM 2479 C ILE H 226 -13.060 38.554 21.942 1.00 15.00 H C +ATOM 2480 O ILE H 226 -12.587 38.232 23.036 1.00 15.00 H O +ATOM 2481 N LYS H 227 -13.830 39.631 21.763 1.00 15.00 H N +ATOM 2482 HN LYS H 227 -14.120 39.848 20.853 1.00 15.00 H H +ATOM 2483 CA LYS H 227 -14.258 40.493 22.843 1.00 15.00 H C +ATOM 2484 CB LYS H 227 -14.476 41.923 22.308 1.00 15.00 H C +ATOM 2485 CG LYS H 227 -14.467 43.005 23.375 1.00 15.00 H C +ATOM 2486 CD LYS H 227 -14.850 44.388 22.821 1.00 15.00 H C +ATOM 2487 CE LYS H 227 -13.741 45.081 22.059 1.00 15.00 H C +ATOM 2488 NZ LYS H 227 -14.066 46.507 21.794 1.00 15.00 H N +ATOM 2489 HZ1 LYS H 227 -14.937 46.576 21.229 1.00 15.00 H H +ATOM 2490 HZ2 LYS H 227 -13.290 46.959 21.270 1.00 15.00 H H +ATOM 2491 HZ3 LYS H 227 -14.206 47.014 22.691 1.00 15.00 H H +ATOM 2492 C LYS H 227 -15.565 39.886 23.366 1.00 15.00 H C +ATOM 2493 O LYS H 227 -16.363 39.377 22.584 1.00 15.00 H O +ATOM 2494 N GLN L 1 -8.710 11.246 4.700 1.00 15.00 L N +ATOM 2495 HN GLN L 1 -9.128 10.403 4.975 1.00 15.00 L H +ATOM 2496 CA GLN L 1 -8.253 11.399 3.321 1.00 15.00 L C +ATOM 2497 CB GLN L 1 -9.103 12.439 2.561 1.00 15.00 L C +ATOM 2498 CG GLN L 1 -10.491 11.940 2.147 1.00 15.00 L C +ATOM 2499 CD GLN L 1 -11.339 12.991 1.452 1.00 15.00 L C +ATOM 2500 OE1 GLN L 1 -10.844 13.886 0.751 1.00 15.00 L O +ATOM 2501 NE2 GLN L 1 -12.651 12.878 1.599 1.00 15.00 L N +ATOM 2502 HE21 GLN L 1 -12.994 12.135 2.139 1.00 15.00 L H +ATOM 2503 HE22 GLN L 1 -13.225 13.542 1.162 1.00 15.00 L H +ATOM 2504 C GLN L 1 -6.737 11.703 3.245 1.00 15.00 L C +ATOM 2505 O GLN L 1 -5.949 10.769 3.102 1.00 15.00 L O +ATOM 2506 N VAL L 2 -6.328 12.980 3.347 1.00 15.00 L N +ATOM 2507 HN VAL L 2 -6.998 13.686 3.458 1.00 15.00 L H +ATOM 2508 CA VAL L 2 -4.911 13.348 3.298 1.00 15.00 L C +ATOM 2509 CB VAL L 2 -4.618 14.505 2.298 1.00 15.00 L C +ATOM 2510 CG1 VAL L 2 -3.228 15.104 2.521 1.00 15.00 L C +ATOM 2511 CG2 VAL L 2 -4.782 14.042 0.852 1.00 15.00 L C +ATOM 2512 C VAL L 2 -4.396 13.665 4.689 1.00 15.00 L C +ATOM 2513 O VAL L 2 -5.050 14.399 5.429 1.00 15.00 L O +ATOM 2514 N GLN L 3 -3.193 13.170 5.010 1.00 15.00 L N +ATOM 2515 HN GLN L 3 -2.739 12.592 4.361 1.00 15.00 L H +ATOM 2516 CA GLN L 3 -2.526 13.447 6.274 1.00 15.00 L C +ATOM 2517 CB GLN L 3 -2.901 12.418 7.354 1.00 15.00 L C +ATOM 2518 CG GLN L 3 -3.936 12.966 8.333 1.00 15.00 L C +ATOM 2519 CD GLN L 3 -4.852 11.902 8.891 1.00 15.00 L C +ATOM 2520 OE1 GLN L 3 -5.558 11.200 8.154 1.00 15.00 L O +ATOM 2521 NE2 GLN L 3 -4.905 11.800 10.213 1.00 15.00 L N +ATOM 2522 HE21 GLN L 3 -4.355 12.411 10.747 1.00 15.00 L H +ATOM 2523 HE22 GLN L 3 -5.491 11.118 10.601 1.00 15.00 L H +ATOM 2524 C GLN L 3 -1.017 13.595 6.104 1.00 15.00 L C +ATOM 2525 O GLN L 3 -0.396 12.858 5.342 1.00 15.00 L O +ATOM 2526 N LEU L 4 -0.453 14.603 6.766 1.00 15.00 L N +ATOM 2527 HN LEU L 4 -1.040 15.192 7.285 1.00 15.00 L H +ATOM 2528 CA LEU L 4 0.981 14.893 6.774 1.00 15.00 L C +ATOM 2529 CB LEU L 4 1.290 16.255 6.121 1.00 15.00 L C +ATOM 2530 CG LEU L 4 1.230 16.298 4.584 1.00 15.00 L C +ATOM 2531 CD1 LEU L 4 -0.153 16.650 4.103 1.00 15.00 L C +ATOM 2532 CD2 LEU L 4 2.201 17.323 4.018 1.00 15.00 L C +ATOM 2533 C LEU L 4 1.386 14.908 8.233 1.00 15.00 L C +ATOM 2534 O LEU L 4 0.646 15.429 9.063 1.00 15.00 L O +ATOM 2535 N GLN L 5 2.546 14.334 8.553 1.00 15.00 L N +ATOM 2536 HN GLN L 5 3.092 13.937 7.843 1.00 15.00 L H +ATOM 2537 CA GLN L 5 3.026 14.280 9.932 1.00 15.00 L C +ATOM 2538 CB GLN L 5 2.520 13.018 10.680 1.00 15.00 L C +ATOM 2539 CG GLN L 5 2.753 11.708 9.934 1.00 15.00 L C +ATOM 2540 CD GLN L 5 2.174 10.515 10.638 1.00 15.00 L C +ATOM 2541 OE1 GLN L 5 0.983 10.469 10.980 1.00 15.00 L O +ATOM 2542 NE2 GLN L 5 3.001 9.495 10.802 1.00 15.00 L N +ATOM 2543 HE21 GLN L 5 3.916 9.582 10.462 1.00 15.00 L H +ATOM 2544 HE22 GLN L 5 2.665 8.695 11.257 1.00 15.00 L H +ATOM 2545 C GLN L 5 4.529 14.426 9.981 1.00 15.00 L C +ATOM 2546 O GLN L 5 5.245 13.678 9.328 1.00 15.00 L O +ATOM 2547 N GLU L 6 4.986 15.442 10.712 1.00 15.00 L N +ATOM 2548 HN GLU L 6 4.324 16.007 11.163 1.00 15.00 L H +ATOM 2549 CA GLU L 6 6.394 15.781 10.894 1.00 15.00 L C +ATOM 2550 CB GLU L 6 6.590 17.293 11.135 1.00 15.00 L C +ATOM 2551 CG GLU L 6 5.878 18.218 10.158 1.00 15.00 L C +ATOM 2552 CD GLU L 6 4.406 18.503 10.408 1.00 15.00 L C +ATOM 2553 OE1 GLU L 6 3.780 17.855 11.279 1.00 15.00 L O +ATOM 2554 OE2 GLU L 6 3.890 19.433 9.757 1.00 15.00 L O +ATOM 2555 C GLU L 6 6.967 15.013 12.076 1.00 15.00 L C +ATOM 2556 O GLU L 6 6.284 14.799 13.071 1.00 15.00 L O +ATOM 2557 N SER L 7 8.226 14.608 11.958 1.00 15.00 L N +ATOM 2558 HN SER L 7 8.683 14.749 11.103 1.00 15.00 L H +ATOM 2559 CA SER L 7 8.959 13.965 13.038 1.00 15.00 L C +ATOM 2560 CB SER L 7 8.832 12.441 12.987 1.00 15.00 L C +ATOM 2561 OG SER L 7 9.323 11.890 11.776 1.00 15.00 L O +ATOM 2562 HG SER L 7 8.610 11.441 11.316 1.00 15.00 L H +ATOM 2563 C SER L 7 10.399 14.433 12.953 1.00 15.00 L C +ATOM 2564 O SER L 7 10.873 14.815 11.882 1.00 15.00 L O +ATOM 2565 N GLY L 8 11.069 14.440 14.091 1.00 15.00 L N +ATOM 2566 HN GLY L 8 10.619 14.110 14.896 1.00 15.00 L H +ATOM 2567 CA GLY L 8 12.443 14.915 14.201 1.00 15.00 L C +ATOM 2568 C GLY L 8 13.012 14.699 15.594 1.00 15.00 L C +ATOM 2569 O GLY L 8 12.284 14.292 16.497 1.00 15.00 L O +ATOM 2570 N PRO L 9 14.299 15.040 15.800 1.00 15.00 L N +ATOM 2571 CA PRO L 9 14.963 14.749 17.092 1.00 15.00 L C +ATOM 2572 CB PRO L 9 16.451 14.947 16.786 1.00 15.00 L C +ATOM 2573 CG PRO L 9 16.520 15.685 15.537 1.00 15.00 L C +ATOM 2574 CD PRO L 9 15.266 15.487 14.777 1.00 15.00 L C +ATOM 2575 C PRO L 9 14.595 15.548 18.357 1.00 15.00 L C +ATOM 2576 O PRO L 9 15.123 15.209 19.423 1.00 15.00 L O +ATOM 2577 N GLY L 10 13.751 16.570 18.267 1.00 15.00 L N +ATOM 2578 HN GLY L 10 13.401 16.800 17.381 1.00 15.00 L H +ATOM 2579 CA GLY L 10 13.315 17.373 19.424 1.00 15.00 L C +ATOM 2580 C GLY L 10 14.316 18.333 20.059 1.00 15.00 L C +ATOM 2581 O GLY L 10 13.971 19.470 20.427 1.00 15.00 L O +ATOM 2582 N LEU L 11 15.536 17.862 20.280 1.00 15.00 L N +ATOM 2583 HN LEU L 11 15.728 16.932 20.038 1.00 15.00 L H +ATOM 2584 CA LEU L 11 16.608 18.663 20.867 1.00 15.00 L C +ATOM 2585 CB LEU L 11 16.757 18.427 22.393 1.00 15.00 L C +ATOM 2586 CG LEU L 11 18.003 19.059 23.072 1.00 15.00 L C +ATOM 2587 CD1 LEU L 11 17.946 20.602 23.062 1.00 15.00 L C +ATOM 2588 CD2 LEU L 11 18.177 18.550 24.495 1.00 15.00 L C +ATOM 2589 C LEU L 11 17.901 18.324 20.112 1.00 15.00 L C +ATOM 2590 O LEU L 11 18.247 17.146 19.950 1.00 15.00 L O +ATOM 2591 N VAL L 12 18.569 19.362 19.603 1.00 15.00 L N +ATOM 2592 HN VAL L 12 18.201 20.260 19.739 1.00 15.00 L H +ATOM 2593 CA VAL L 12 19.827 19.234 18.849 1.00 15.00 L C +ATOM 2594 CB VAL L 12 19.637 19.333 17.297 1.00 15.00 L C +ATOM 2595 CG1 VAL L 12 18.780 18.188 16.768 1.00 15.00 L C +ATOM 2596 CG2 VAL L 12 19.033 20.669 16.879 1.00 15.00 L C +ATOM 2597 C VAL L 12 20.849 20.244 19.375 1.00 15.00 L C +ATOM 2598 O VAL L 12 20.476 21.336 19.813 1.00 15.00 L O +ATOM 2599 N LYS L 13 22.137 19.894 19.341 1.00 15.00 L N +ATOM 2600 HN LYS L 13 22.399 19.011 19.007 1.00 15.00 L H +ATOM 2601 CA LYS L 13 23.154 20.837 19.806 1.00 15.00 L C +ATOM 2602 CB LYS L 13 24.464 20.106 20.170 1.00 15.00 L C +ATOM 2603 CG LYS L 13 24.305 18.850 21.031 1.00 15.00 L C +ATOM 2604 CD LYS L 13 24.140 19.096 22.511 1.00 15.00 L C +ATOM 2605 CE LYS L 13 24.247 17.822 23.335 1.00 15.00 L C +ATOM 2606 NZ LYS L 13 23.547 16.647 22.738 1.00 15.00 L N +ATOM 2607 HZ1 LYS L 13 23.661 15.814 23.351 1.00 15.00 L H +ATOM 2608 HZ2 LYS L 13 23.945 16.431 21.802 1.00 15.00 L H +ATOM 2609 HZ3 LYS L 13 22.533 16.851 22.632 1.00 15.00 L H +ATOM 2610 C LYS L 13 23.470 21.870 18.709 1.00 15.00 L C +ATOM 2611 O LYS L 13 23.455 21.514 17.539 1.00 15.00 L O +ATOM 2612 N PRO L 14 23.840 23.126 19.048 1.00 15.00 L N +ATOM 2613 CA PRO L 14 24.290 24.069 17.996 1.00 15.00 L C +ATOM 2614 CB PRO L 14 24.740 25.296 18.798 1.00 15.00 L C +ATOM 2615 CG PRO L 14 23.951 25.210 20.075 1.00 15.00 L C +ATOM 2616 CD PRO L 14 23.928 23.740 20.386 1.00 15.00 L C +ATOM 2617 C PRO L 14 25.473 23.477 17.201 1.00 15.00 L C +ATOM 2618 O PRO L 14 26.269 22.738 17.770 1.00 15.00 L O +ATOM 2619 N SER L 15 25.529 23.758 15.874 1.00 15.00 L N +ATOM 2620 HN SER L 15 24.810 24.336 15.544 1.00 15.00 L H +ATOM 2621 CA SER L 15 26.501 23.331 14.851 1.00 15.00 L C +ATOM 2622 CB SER L 15 27.954 23.484 15.306 1.00 15.00 L C +ATOM 2623 OG SER L 15 28.367 22.388 16.106 1.00 15.00 L O +ATOM 2624 HG SER L 15 27.805 22.328 16.882 1.00 15.00 L H +ATOM 2625 C SER L 15 26.223 21.918 14.304 1.00 15.00 L C +ATOM 2626 O SER L 15 26.868 21.522 13.339 1.00 15.00 L O +ATOM 2627 N GLN L 16 25.263 21.171 14.904 1.00 15.00 L N +ATOM 2628 HN GLN L 16 24.804 21.545 15.685 1.00 15.00 L H +ATOM 2629 CA GLN L 16 24.874 19.828 14.444 1.00 15.00 L C +ATOM 2630 CB GLN L 16 24.011 19.123 15.516 1.00 15.00 L C +ATOM 2631 CG GLN L 16 24.701 18.048 16.352 1.00 15.00 L C +ATOM 2632 CD GLN L 16 23.658 17.150 17.002 1.00 15.00 L C +ATOM 2633 OE1 GLN L 16 23.130 17.445 18.076 1.00 15.00 L O +ATOM 2634 NE2 GLN L 16 23.320 16.041 16.354 1.00 15.00 L N +ATOM 2635 HE21 GLN L 16 23.755 15.856 15.496 1.00 15.00 L H +ATOM 2636 HE22 GLN L 16 22.649 15.453 16.761 1.00 15.00 L H +ATOM 2637 C GLN L 16 24.004 19.972 13.198 1.00 15.00 L C +ATOM 2638 O GLN L 16 23.482 21.057 12.929 1.00 15.00 L O +ATOM 2639 N THR L 17 23.795 18.864 12.472 1.00 15.00 L N +ATOM 2640 HN THR L 17 24.289 18.049 12.700 1.00 15.00 L H +ATOM 2641 CA THR L 17 22.851 18.829 11.347 1.00 15.00 L C +ATOM 2642 CB THR L 17 23.376 17.918 10.216 1.00 15.00 L C +ATOM 2643 OG1 THR L 17 24.508 18.538 9.615 1.00 15.00 L O +ATOM 2644 HG1 THR L 17 24.590 18.242 8.705 1.00 15.00 L H +ATOM 2645 CG2 THR L 17 22.314 17.640 9.129 1.00 15.00 L C +ATOM 2646 C THR L 17 21.528 18.305 11.924 1.00 15.00 L C +ATOM 2647 O THR L 17 21.530 17.345 12.708 1.00 15.00 L O +ATOM 2648 N LEU L 18 20.409 18.944 11.536 1.00 15.00 L N +ATOM 2649 HN LEU L 18 20.513 19.717 10.943 1.00 15.00 L H +ATOM 2650 CA LEU L 18 19.047 18.574 11.931 1.00 15.00 L C +ATOM 2651 CB LEU L 18 18.253 19.839 12.346 1.00 15.00 L C +ATOM 2652 CG LEU L 18 16.728 19.673 12.491 1.00 15.00 L C +ATOM 2653 CD1 LEU L 18 16.377 18.823 13.692 1.00 15.00 L C +ATOM 2654 CD2 LEU L 18 16.038 20.995 12.579 1.00 15.00 L C +ATOM 2655 C LEU L 18 18.370 17.900 10.734 1.00 15.00 L C +ATOM 2656 O LEU L 18 18.353 18.462 9.639 1.00 15.00 L O +ATOM 2657 N SER L 19 17.824 16.691 10.946 1.00 15.00 L N +ATOM 2658 HN SER L 19 17.905 16.293 11.838 1.00 15.00 L H +ATOM 2659 CA SER L 19 17.119 15.945 9.919 1.00 15.00 L C +ATOM 2660 CB SER L 19 17.731 14.558 9.758 1.00 15.00 L C +ATOM 2661 OG SER L 19 17.900 14.261 8.387 1.00 15.00 L O +ATOM 2662 HG SER L 19 17.384 13.483 8.162 1.00 15.00 L H +ATOM 2663 C SER L 19 15.646 15.825 10.323 1.00 15.00 L C +ATOM 2664 O SER L 19 15.342 15.292 11.391 1.00 15.00 L O +ATOM 2665 N LEU L 20 14.745 16.351 9.494 1.00 15.00 L N +ATOM 2666 HN LEU L 20 15.059 16.802 8.682 1.00 15.00 L H +ATOM 2667 CA LEU L 20 13.304 16.282 9.748 1.00 15.00 L C +ATOM 2668 CB LEU L 20 12.680 17.683 9.810 1.00 15.00 L C +ATOM 2669 CG LEU L 20 13.281 18.643 10.847 1.00 15.00 L C +ATOM 2670 CD1 LEU L 20 12.807 20.048 10.595 1.00 15.00 L C +ATOM 2671 CD2 LEU L 20 12.946 18.200 12.256 1.00 15.00 L C +ATOM 2672 C LEU L 20 12.620 15.460 8.678 1.00 15.00 L C +ATOM 2673 O LEU L 20 13.036 15.484 7.520 1.00 15.00 L O +ATOM 2674 N THR L 21 11.551 14.745 9.051 1.00 15.00 L N +ATOM 2675 HN THR L 21 11.251 14.771 9.984 1.00 15.00 L H +ATOM 2676 CA THR L 21 10.824 13.923 8.077 1.00 15.00 L C +ATOM 2677 CB THR L 21 10.993 12.416 8.399 1.00 15.00 L C +ATOM 2678 OG1 THR L 21 12.381 12.099 8.432 1.00 15.00 L O +ATOM 2679 HG1 THR L 21 12.838 12.721 9.003 1.00 15.00 L H +ATOM 2680 CG2 THR L 21 10.290 11.506 7.384 1.00 15.00 L C +ATOM 2681 C THR L 21 9.361 14.310 8.054 1.00 15.00 L C +ATOM 2682 O THR L 21 8.759 14.528 9.105 1.00 15.00 L O +ATOM 2683 N CYS L 22 8.796 14.359 6.857 1.00 15.00 L N +ATOM 2684 HN CYS L 22 9.369 14.224 6.074 1.00 15.00 L H +ATOM 2685 CA CYS L 22 7.378 14.600 6.630 1.00 15.00 L C +ATOM 2686 C CYS L 22 6.815 13.294 6.064 1.00 15.00 L C +ATOM 2687 O CYS L 22 7.106 12.947 4.915 1.00 15.00 L O +ATOM 2688 CB CYS L 22 7.171 15.763 5.662 1.00 15.00 L C +ATOM 2689 SG CYS L 22 5.429 16.085 5.265 1.00 15.00 L S +ATOM 2690 N SER L 23 6.052 12.548 6.875 1.00 15.00 L N +ATOM 2691 HN SER L 23 5.906 12.847 7.797 1.00 15.00 L H +ATOM 2692 CA SER L 23 5.433 11.307 6.431 1.00 15.00 L C +ATOM 2693 CB SER L 23 5.350 10.297 7.577 1.00 15.00 L C +ATOM 2694 OG SER L 23 6.648 9.886 7.971 1.00 15.00 L O +ATOM 2695 HG SER L 23 6.743 9.992 8.920 1.00 15.00 L H +ATOM 2696 C SER L 23 4.040 11.655 5.927 1.00 15.00 L C +ATOM 2697 O SER L 23 3.273 12.300 6.647 1.00 15.00 L O +ATOM 2698 N PHE L 24 3.723 11.274 4.673 1.00 15.00 L N +ATOM 2699 HN PHE L 24 4.357 10.753 4.138 1.00 15.00 L H +ATOM 2700 CA PHE L 24 2.430 11.645 4.125 1.00 15.00 L C +ATOM 2701 CB PHE L 24 2.583 12.761 3.066 1.00 15.00 L C +ATOM 2702 CG PHE L 24 3.365 12.343 1.839 1.00 15.00 L C +ATOM 2703 CD1 PHE L 24 4.725 12.619 1.734 1.00 15.00 L C +ATOM 2704 CD2 PHE L 24 2.738 11.693 0.781 1.00 15.00 L C +ATOM 2705 CE1 PHE L 24 5.444 12.235 0.599 1.00 15.00 L C +ATOM 2706 CE2 PHE L 24 3.461 11.293 -0.342 1.00 15.00 L C +ATOM 2707 CZ PHE L 24 4.814 11.554 -0.418 1.00 15.00 L C +ATOM 2708 C PHE L 24 1.668 10.444 3.578 1.00 15.00 L C +ATOM 2709 O PHE L 24 2.277 9.458 3.174 1.00 15.00 L O +ATOM 2710 N SER L 25 0.336 10.540 3.557 1.00 15.00 L N +ATOM 2711 HN SER L 25 -0.075 11.349 3.928 1.00 15.00 L H +ATOM 2712 CA SER L 25 -0.544 9.507 3.012 1.00 15.00 L C +ATOM 2713 CB SER L 25 -0.988 8.532 4.103 1.00 15.00 L C +ATOM 2714 OG SER L 25 -1.833 9.182 5.033 1.00 15.00 L O +ATOM 2715 HG SER L 25 -1.748 10.133 4.933 1.00 15.00 L H +ATOM 2716 C SER L 25 -1.769 10.180 2.381 1.00 15.00 L C +ATOM 2717 O SER L 25 -2.041 11.348 2.644 1.00 15.00 L O +ATOM 2718 N GLY L 26 -2.497 9.437 1.563 1.00 15.00 L N +ATOM 2719 HN GLY L 26 -2.211 8.519 1.375 1.00 15.00 L H +ATOM 2720 CA GLY L 26 -3.707 9.950 0.939 1.00 15.00 L C +ATOM 2721 C GLY L 26 -3.499 10.623 -0.395 1.00 15.00 L C +ATOM 2722 O GLY L 26 -4.474 11.016 -1.039 1.00 15.00 L O +ATOM 2723 N PHE L 27 -2.237 10.721 -0.840 1.00 15.00 L N +ATOM 2724 HN PHE L 27 -1.516 10.413 -0.253 1.00 15.00 L H +ATOM 2725 CA PHE L 27 -1.874 11.261 -2.150 1.00 15.00 L C +ATOM 2726 CB PHE L 27 -1.907 12.813 -2.155 1.00 15.00 L C +ATOM 2727 CG PHE L 27 -0.783 13.497 -1.402 1.00 15.00 L C +ATOM 2728 CD1 PHE L 27 -0.846 13.662 -0.024 1.00 15.00 L C +ATOM 2729 CD2 PHE L 27 0.339 13.970 -2.075 1.00 15.00 L C +ATOM 2730 CE1 PHE L 27 0.194 14.292 0.669 1.00 15.00 L C +ATOM 2731 CE2 PHE L 27 1.386 14.583 -1.381 1.00 15.00 L C +ATOM 2732 CZ PHE L 27 1.301 14.748 -0.017 1.00 15.00 L C +ATOM 2733 C PHE L 27 -0.499 10.727 -2.539 1.00 15.00 L C +ATOM 2734 O PHE L 27 0.240 10.227 -1.684 1.00 15.00 L O +ATOM 2735 N SER L 28 -0.134 10.875 -3.806 1.00 15.00 L N +ATOM 2736 HN SER L 28 -0.770 11.259 -4.445 1.00 15.00 L H +ATOM 2737 CA SER L 28 1.186 10.482 -4.269 1.00 15.00 L C +ATOM 2738 CB SER L 28 1.088 9.520 -5.449 1.00 15.00 L C +ATOM 2739 OG SER L 28 2.378 9.220 -5.955 1.00 15.00 L O +ATOM 2740 HG SER L 28 2.590 9.825 -6.670 1.00 15.00 L H +ATOM 2741 C SER L 28 1.946 11.731 -4.675 1.00 15.00 L C +ATOM 2742 O SER L 28 1.409 12.562 -5.414 1.00 15.00 L O +ATOM 2743 N LEU L 29 3.203 11.850 -4.233 1.00 15.00 L N +ATOM 2744 HN LEU L 29 3.571 11.163 -3.638 1.00 15.00 L H +ATOM 2745 CA LEU L 29 4.037 12.983 -4.620 1.00 15.00 L C +ATOM 2746 CB LEU L 29 5.211 13.182 -3.643 1.00 15.00 L C +ATOM 2747 CG LEU L 29 6.115 14.432 -3.799 1.00 15.00 L C +ATOM 2748 CD1 LEU L 29 5.318 15.752 -3.886 1.00 15.00 L C +ATOM 2749 CD2 LEU L 29 7.090 14.521 -2.660 1.00 15.00 L C +ATOM 2750 C LEU L 29 4.521 12.836 -6.062 1.00 15.00 L C +ATOM 2751 O LEU L 29 5.013 13.797 -6.620 1.00 15.00 L O +ATOM 2752 N SER L 30 4.355 11.659 -6.682 1.00 15.00 L N +ATOM 2753 HN SER L 30 3.961 10.907 -6.192 1.00 15.00 L H +ATOM 2754 CA SER L 30 4.752 11.479 -8.074 1.00 15.00 L C +ATOM 2755 CB SER L 30 5.141 10.029 -8.337 1.00 15.00 L C +ATOM 2756 OG SER L 30 4.028 9.177 -8.129 1.00 15.00 L O +ATOM 2757 HG SER L 30 3.489 9.154 -8.923 1.00 15.00 L H +ATOM 2758 C SER L 30 3.646 11.965 -9.047 1.00 15.00 L C +ATOM 2759 O SER L 30 3.892 12.051 -10.253 1.00 15.00 L O +ATOM 2760 N THR L 31 2.440 12.298 -8.518 1.00 15.00 L N +ATOM 2761 HN THR L 31 2.307 12.179 -7.554 1.00 15.00 L H +ATOM 2762 CA THR L 31 1.322 12.829 -9.316 1.00 15.00 L C +ATOM 2763 CB THR L 31 0.064 12.962 -8.427 1.00 15.00 L C +ATOM 2764 OG1 THR L 31 -0.431 11.662 -8.113 1.00 15.00 L O +ATOM 2765 HG1 THR L 31 -0.610 11.606 -7.171 1.00 15.00 L H +ATOM 2766 CG2 THR L 31 -1.055 13.777 -9.080 1.00 15.00 L C +ATOM 2767 C THR L 31 1.753 14.195 -9.897 1.00 15.00 L C +ATOM 2768 O THR L 31 2.285 15.012 -9.152 1.00 15.00 L O +ATOM 2769 N SER L 32 1.539 14.433 -11.218 1.00 15.00 L N +ATOM 2770 HN SER L 32 1.127 13.729 -11.761 1.00 15.00 L H +ATOM 2771 CA SER L 32 1.898 15.698 -11.864 1.00 15.00 L C +ATOM 2772 CB SER L 32 1.465 15.712 -13.326 1.00 15.00 L C +ATOM 2773 OG SER L 32 0.062 15.529 -13.475 1.00 15.00 L O +ATOM 2774 HG SER L 32 -0.359 16.380 -13.619 1.00 15.00 L H +ATOM 2775 C SER L 32 1.294 16.902 -11.126 1.00 15.00 L C +ATOM 2776 O SER L 32 0.115 16.892 -10.770 1.00 15.00 L O +ATOM 2777 N GLY L 33 2.125 17.901 -10.879 1.00 15.00 L N +ATOM 2778 HN GLY L 33 3.056 17.816 -11.174 1.00 15.00 L H +ATOM 2779 CA GLY L 33 1.713 19.121 -10.187 1.00 15.00 L C +ATOM 2780 C GLY L 33 1.898 19.073 -8.683 1.00 15.00 L C +ATOM 2781 O GLY L 33 1.932 20.122 -8.045 1.00 15.00 L O +ATOM 2782 N MET L 34 2.007 17.866 -8.096 1.00 15.00 L N +ATOM 2783 HN MET L 34 1.993 17.064 -8.659 1.00 15.00 L H +ATOM 2784 CA MET L 34 2.146 17.707 -6.647 1.00 15.00 L C +ATOM 2785 CB MET L 34 1.979 16.227 -6.215 1.00 15.00 L C +ATOM 2786 CG MET L 34 1.272 16.065 -4.865 1.00 15.00 L C +ATOM 2787 SD MET L 34 -0.427 16.717 -4.830 1.00 15.00 L S +ATOM 2788 CE MET L 34 -1.300 15.486 -5.678 1.00 15.00 L C +ATOM 2789 C MET L 34 3.435 18.301 -6.099 1.00 15.00 L C +ATOM 2790 O MET L 34 4.488 18.237 -6.739 1.00 15.00 L O +ATOM 2791 N GLY L 35 3.311 18.900 -4.918 1.00 15.00 L N +ATOM 2792 HN GLY L 35 2.419 18.925 -4.514 1.00 15.00 L H +ATOM 2793 CA GLY L 35 4.410 19.519 -4.189 1.00 15.00 L C +ATOM 2794 C GLY L 35 4.256 19.408 -2.684 1.00 15.00 L C +ATOM 2795 O GLY L 35 3.145 19.258 -2.174 1.00 15.00 L O +ATOM 2796 N VAL L 36 5.385 19.453 -1.970 1.00 15.00 L N +ATOM 2797 HN VAL L 36 6.233 19.491 -2.460 1.00 15.00 L H +ATOM 2798 CA VAL L 36 5.443 19.450 -0.501 1.00 15.00 L C +ATOM 2799 CB VAL L 36 5.808 18.059 0.111 1.00 15.00 L C +ATOM 2800 CG1 VAL L 36 6.126 18.183 1.604 1.00 15.00 L C +ATOM 2801 CG2 VAL L 36 4.674 17.054 -0.097 1.00 15.00 L C +ATOM 2802 C VAL L 36 6.434 20.523 -0.119 1.00 15.00 L C +ATOM 2803 O VAL L 36 7.564 20.535 -0.643 1.00 15.00 L O +ATOM 2804 N GLY L 37 6.001 21.396 0.801 1.00 15.00 L N +ATOM 2805 HN GLY L 37 5.080 21.305 1.122 1.00 15.00 L H +ATOM 2806 CA GLY L 37 6.822 22.466 1.346 1.00 15.00 L C +ATOM 2807 C GLY L 37 7.056 22.330 2.835 1.00 15.00 L C +ATOM 2808 O GLY L 37 6.292 21.655 3.539 1.00 15.00 L O +ATOM 2809 N TRP L 38 8.146 22.938 3.312 1.00 15.00 L N +ATOM 2810 HN TRP L 38 8.750 23.355 2.663 1.00 15.00 L H +ATOM 2811 CA TRP L 38 8.509 23.030 4.726 1.00 15.00 L C +ATOM 2812 CB TRP L 38 9.928 22.505 5.003 1.00 15.00 L C +ATOM 2813 CG TRP L 38 10.032 21.009 5.099 1.00 15.00 L C +ATOM 2814 CD1 TRP L 38 10.407 20.149 4.106 1.00 15.00 L C +ATOM 2815 CD2 TRP L 38 9.763 20.199 6.253 1.00 15.00 L C +ATOM 2816 NE1 TRP L 38 10.389 18.849 4.573 1.00 15.00 L N +ATOM 2817 HE1 TRP L 38 10.621 18.054 4.050 1.00 15.00 L H +ATOM 2818 CE2 TRP L 38 10.001 18.853 5.887 1.00 15.00 L C +ATOM 2819 CE3 TRP L 38 9.345 20.481 7.568 1.00 15.00 L C +ATOM 2820 CZ2 TRP L 38 9.854 17.790 6.796 1.00 15.00 L C +ATOM 2821 CZ3 TRP L 38 9.157 19.426 8.454 1.00 15.00 L C +ATOM 2822 CH2 TRP L 38 9.428 18.100 8.072 1.00 15.00 L C +ATOM 2823 C TRP L 38 8.438 24.513 5.081 1.00 15.00 L C +ATOM 2824 O TRP L 38 8.886 25.367 4.306 1.00 15.00 L O +ATOM 2825 N ILE L 39 7.835 24.808 6.234 1.00 15.00 L N +ATOM 2826 HN ILE L 39 7.522 24.051 6.771 1.00 15.00 L H +ATOM 2827 CA ILE L 39 7.592 26.144 6.781 1.00 15.00 L C +ATOM 2828 CB ILE L 39 6.083 26.565 6.558 1.00 15.00 L C +ATOM 2829 CG1 ILE L 39 5.710 26.640 5.063 1.00 15.00 L C +ATOM 2830 CG2 ILE L 39 5.729 27.901 7.248 1.00 15.00 L C +ATOM 2831 CD1 ILE L 39 4.952 25.384 4.553 1.00 15.00 L C +ATOM 2832 C ILE L 39 7.918 26.041 8.269 1.00 15.00 L C +ATOM 2833 O ILE L 39 7.686 24.984 8.859 1.00 15.00 L O +ATOM 2834 N ARG L 40 8.475 27.096 8.869 1.00 15.00 L N +ATOM 2835 HN ARG L 40 8.699 27.899 8.353 1.00 15.00 L H +ATOM 2836 CA ARG L 40 8.747 27.040 10.303 1.00 15.00 L C +ATOM 2837 CB ARG L 40 10.243 26.853 10.626 1.00 15.00 L C +ATOM 2838 CG ARG L 40 11.072 28.088 10.329 1.00 15.00 L C +ATOM 2839 CD ARG L 40 12.494 27.899 10.756 1.00 15.00 L C +ATOM 2840 NE ARG L 40 13.308 29.067 10.439 1.00 15.00 L N +ATOM 2841 HE ARG L 40 12.845 29.881 10.149 1.00 15.00 L H +ATOM 2842 CZ ARG L 40 14.633 29.078 10.525 1.00 15.00 L C +ATOM 2843 NH1 ARG L 40 15.292 27.981 10.883 1.00 15.00 L N +ATOM 2844 HH11 ARG L 40 14.770 27.108 11.098 1.00 15.00 L H +ATOM 2845 HH12 ARG L 40 16.330 27.996 10.948 1.00 15.00 L H +ATOM 2846 NH2 ARG L 40 15.310 30.185 10.259 1.00 15.00 L N +ATOM 2847 HH21 ARG L 40 14.804 31.050 9.982 1.00 15.00 L H +ATOM 2848 HH22 ARG L 40 16.348 30.189 10.328 1.00 15.00 L H +ATOM 2849 C ARG L 40 8.199 28.266 10.983 1.00 15.00 L C +ATOM 2850 O ARG L 40 7.919 29.272 10.332 1.00 15.00 L O +ATOM 2851 N GLN L 41 8.089 28.185 12.302 1.00 15.00 L N +ATOM 2852 HN GLN L 41 8.363 27.357 12.749 1.00 15.00 L H +ATOM 2853 CA GLN L 41 7.579 29.275 13.105 1.00 15.00 L C +ATOM 2854 CB GLN L 41 6.086 29.046 13.392 1.00 15.00 L C +ATOM 2855 CG GLN L 41 5.447 30.172 14.211 1.00 15.00 L C +ATOM 2856 CD GLN L 41 3.953 29.995 14.320 1.00 15.00 L C +ATOM 2857 OE1 GLN L 41 3.434 28.876 14.337 1.00 15.00 L O +ATOM 2858 NE2 GLN L 41 3.229 31.099 14.381 1.00 15.00 L N +ATOM 2859 HE21 GLN L 41 3.695 31.960 14.353 1.00 15.00 L H +ATOM 2860 HE22 GLN L 41 2.256 31.011 14.452 1.00 15.00 L H +ATOM 2861 C GLN L 41 8.384 29.351 14.409 1.00 15.00 L C +ATOM 2862 O GLN L 41 8.168 28.522 15.292 1.00 15.00 L O +ATOM 2863 N PRO L 42 9.308 30.330 14.549 1.00 15.00 L N +ATOM 2864 CA PRO L 42 10.019 30.495 15.835 1.00 15.00 L C +ATOM 2865 CB PRO L 42 11.099 31.535 15.513 1.00 15.00 L C +ATOM 2866 CG PRO L 42 11.153 31.623 14.017 1.00 15.00 L C +ATOM 2867 CD PRO L 42 9.725 31.368 13.589 1.00 15.00 L C +ATOM 2868 C PRO L 42 9.030 30.983 16.903 1.00 15.00 L C +ATOM 2869 O PRO L 42 7.996 31.551 16.548 1.00 15.00 L O +ATOM 2870 N SER L 43 9.298 30.710 18.206 1.00 15.00 L N +ATOM 2871 HN SER L 43 10.131 30.245 18.431 1.00 15.00 L H +ATOM 2872 CA SER L 43 8.381 31.089 19.292 1.00 15.00 L C +ATOM 2873 CB SER L 43 8.938 30.680 20.654 1.00 15.00 L C +ATOM 2874 OG SER L 43 7.944 30.810 21.659 1.00 15.00 L O +ATOM 2875 HG SER L 43 8.191 30.285 22.424 1.00 15.00 L H +ATOM 2876 C SER L 43 8.034 32.585 19.271 1.00 15.00 L C +ATOM 2877 O SER L 43 8.919 33.418 19.092 1.00 15.00 L O +ATOM 2878 N GLY L 44 6.741 32.886 19.341 1.00 15.00 L N +ATOM 2879 HN GLY L 44 6.100 32.148 19.411 1.00 15.00 L H +ATOM 2880 CA GLY L 44 6.228 34.255 19.319 1.00 15.00 L C +ATOM 2881 C GLY L 44 6.314 34.995 17.992 1.00 15.00 L C +ATOM 2882 O GLY L 44 5.847 36.136 17.906 1.00 15.00 L O +ATOM 2883 N LYS L 45 6.907 34.357 16.947 1.00 15.00 L N +ATOM 2884 HN LYS L 45 7.254 33.454 17.107 1.00 15.00 L H +ATOM 2885 CA LYS L 45 7.068 34.914 15.601 1.00 15.00 L C +ATOM 2886 CB LYS L 45 8.509 34.727 15.098 1.00 15.00 L C +ATOM 2887 CG LYS L 45 9.543 35.606 15.816 1.00 15.00 L C +ATOM 2888 CD LYS L 45 10.983 35.276 15.412 1.00 15.00 L C +ATOM 2889 CE LYS L 45 11.437 35.915 14.118 1.00 15.00 L C +ATOM 2890 NZ LYS L 45 11.803 37.344 14.300 1.00 15.00 L N +ATOM 2891 HZ1 LYS L 45 10.984 37.881 14.650 1.00 15.00 L H +ATOM 2892 HZ2 LYS L 45 12.110 37.753 13.394 1.00 15.00 L H +ATOM 2893 HZ3 LYS L 45 12.580 37.429 14.987 1.00 15.00 L H +ATOM 2894 C LYS L 45 6.059 34.302 14.607 1.00 15.00 L C +ATOM 2895 O LYS L 45 5.238 33.471 14.992 1.00 15.00 L O +ATOM 2896 N GLY L 46 6.128 34.743 13.353 1.00 15.00 L N +ATOM 2897 HN GLY L 46 6.813 35.410 13.138 1.00 15.00 L H +ATOM 2898 CA GLY L 46 5.242 34.287 12.287 1.00 15.00 L C +ATOM 2899 C GLY L 46 5.792 33.123 11.482 1.00 15.00 L C +ATOM 2900 O GLY L 46 6.817 32.525 11.826 1.00 15.00 L O +ATOM 2901 N LEU L 47 5.096 32.805 10.397 1.00 15.00 L N +ATOM 2902 HN LEU L 47 4.283 33.317 10.204 1.00 15.00 L H +ATOM 2903 CA LEU L 47 5.469 31.744 9.481 1.00 15.00 L C +ATOM 2904 CB LEU L 47 4.236 31.259 8.689 1.00 15.00 L C +ATOM 2905 CG LEU L 47 3.057 30.746 9.513 1.00 15.00 L C +ATOM 2906 CD1 LEU L 47 1.906 30.342 8.605 1.00 15.00 L C +ATOM 2907 CD2 LEU L 47 3.459 29.578 10.414 1.00 15.00 L C +ATOM 2908 C LEU L 47 6.571 32.136 8.538 1.00 15.00 L C +ATOM 2909 O LEU L 47 6.558 33.233 7.966 1.00 15.00 L O +ATOM 2910 N GLU L 48 7.527 31.212 8.341 1.00 15.00 L N +ATOM 2911 HN GLU L 48 7.482 30.368 8.836 1.00 15.00 L H +ATOM 2912 CA GLU L 48 8.624 31.428 7.417 1.00 15.00 L C +ATOM 2913 CB GLU L 48 9.953 31.598 8.180 1.00 15.00 L C +ATOM 2914 CG GLU L 48 11.140 31.835 7.253 1.00 15.00 L C +ATOM 2915 CD GLU L 48 12.523 31.880 7.882 1.00 15.00 L C +ATOM 2916 OE1 GLU L 48 12.666 31.563 9.088 1.00 15.00 L O +ATOM 2917 OE2 GLU L 48 13.475 32.231 7.150 1.00 15.00 L O +ATOM 2918 C GLU L 48 8.712 30.262 6.425 1.00 15.00 L C +ATOM 2919 O GLU L 48 8.900 29.134 6.855 1.00 15.00 L O +ATOM 2920 N TRP L 49 8.620 30.541 5.101 1.00 15.00 L N +ATOM 2921 HN TRP L 49 8.455 31.464 4.815 1.00 15.00 L H +ATOM 2922 CA TRP L 49 8.763 29.488 4.086 1.00 15.00 L C +ATOM 2923 CB TRP L 49 8.233 29.916 2.708 1.00 15.00 L C +ATOM 2924 CG TRP L 49 8.539 28.858 1.679 1.00 15.00 L C +ATOM 2925 CD1 TRP L 49 8.038 27.589 1.632 1.00 15.00 L C +ATOM 2926 CD2 TRP L 49 9.556 28.927 0.663 1.00 15.00 L C +ATOM 2927 NE1 TRP L 49 8.607 26.894 0.583 1.00 15.00 L N +ATOM 2928 HE1 TRP L 49 8.392 25.972 0.330 1.00 15.00 L H +ATOM 2929 CE2 TRP L 49 9.578 27.672 0.007 1.00 15.00 L C +ATOM 2930 CE3 TRP L 49 10.441 29.937 0.234 1.00 15.00 L C +ATOM 2931 CZ2 TRP L 49 10.435 27.402 -1.069 1.00 15.00 L C +ATOM 2932 CZ3 TRP L 49 11.311 29.661 -0.809 1.00 15.00 L C +ATOM 2933 CH2 TRP L 49 11.303 28.403 -1.451 1.00 15.00 L C +ATOM 2934 C TRP L 49 10.237 29.073 3.986 1.00 15.00 L C +ATOM 2935 O TRP L 49 11.108 29.934 3.899 1.00 15.00 L O +ATOM 2936 N LEU L 50 10.514 27.759 4.000 1.00 15.00 L N +ATOM 2937 HN LEU L 50 9.779 27.113 4.046 1.00 15.00 L H +ATOM 2938 CA LEU L 50 11.895 27.274 3.948 1.00 15.00 L C +ATOM 2939 CB LEU L 50 12.125 26.265 5.098 1.00 15.00 L C +ATOM 2940 CG LEU L 50 11.948 26.796 6.527 1.00 15.00 L C +ATOM 2941 CD1 LEU L 50 12.025 25.646 7.528 1.00 15.00 L C +ATOM 2942 CD2 LEU L 50 12.995 27.859 6.863 1.00 15.00 L C +ATOM 2943 C LEU L 50 12.320 26.631 2.642 1.00 15.00 L C +ATOM 2944 O LEU L 50 13.393 26.954 2.110 1.00 15.00 L O +ATOM 2945 N ALA L 51 11.558 25.616 2.207 1.00 15.00 L N +ATOM 2946 HN ALA L 51 10.726 25.413 2.684 1.00 15.00 L H +ATOM 2947 CA ALA L 51 11.921 24.800 1.047 1.00 15.00 L C +ATOM 2948 CB ALA L 51 12.949 23.735 1.453 1.00 15.00 L C +ATOM 2949 C ALA L 51 10.710 24.134 0.457 1.00 15.00 L C +ATOM 2950 O ALA L 51 9.676 24.034 1.113 1.00 15.00 L O +ATOM 2951 N HIS L 52 10.847 23.646 -0.787 1.00 15.00 L N +ATOM 2952 HN HIS L 52 11.711 23.742 -1.240 1.00 15.00 L H +ATOM 2953 CA HIS L 52 9.762 22.982 -1.485 1.00 15.00 L C +ATOM 2954 CB HIS L 52 8.937 24.036 -2.244 1.00 15.00 L C +ATOM 2955 CG HIS L 52 7.694 23.505 -2.882 1.00 15.00 L C +ATOM 2956 ND1 HIS L 52 7.687 23.063 -4.191 1.00 15.00 L N +ATOM 2957 HD1 HIS L 52 8.441 23.037 -4.816 1.00 15.00 L H +ATOM 2958 CD2 HIS L 52 6.456 23.351 -2.360 1.00 15.00 L C +ATOM 2959 CE1 HIS L 52 6.444 22.679 -4.435 1.00 15.00 L C +ATOM 2960 NE2 HIS L 52 5.665 22.847 -3.370 1.00 15.00 L N +ATOM 2961 HE2 HIS L 52 4.707 22.648 -3.316 1.00 15.00 L H +ATOM 2962 C HIS L 52 10.350 21.984 -2.448 1.00 15.00 L C +ATOM 2963 O HIS L 52 11.495 22.144 -2.889 1.00 15.00 L O +ATOM 2964 N ILE L 53 9.560 20.962 -2.793 1.00 15.00 L N +ATOM 2965 HN ILE L 53 8.681 20.880 -2.367 1.00 15.00 L H +ATOM 2966 CA ILE L 53 9.959 19.963 -3.781 1.00 15.00 L C +ATOM 2967 CB ILE L 53 10.724 18.757 -3.165 1.00 15.00 L C +ATOM 2968 CG1 ILE L 53 11.382 17.861 -4.279 1.00 15.00 L C +ATOM 2969 CG2 ILE L 53 9.849 17.941 -2.187 1.00 15.00 L C +ATOM 2970 CD1 ILE L 53 12.521 16.974 -3.766 1.00 15.00 L C +ATOM 2971 C ILE L 53 8.736 19.567 -4.608 1.00 15.00 L C +ATOM 2972 O ILE L 53 7.655 19.334 -4.057 1.00 15.00 L O +ATOM 2973 N TRP L 54 8.909 19.537 -5.930 1.00 15.00 L N +ATOM 2974 HN TRP L 54 9.785 19.782 -6.294 1.00 15.00 L H +ATOM 2975 CA TRP L 54 7.850 19.155 -6.859 1.00 15.00 L C +ATOM 2976 CB TRP L 54 7.981 19.960 -8.161 1.00 15.00 L C +ATOM 2977 CG TRP L 54 7.721 21.431 -8.007 1.00 15.00 L C +ATOM 2978 CD1 TRP L 54 8.645 22.431 -8.023 1.00 15.00 L C +ATOM 2979 CD2 TRP L 54 6.444 22.065 -7.828 1.00 15.00 L C +ATOM 2980 NE1 TRP L 54 8.027 23.651 -7.867 1.00 15.00 L N +ATOM 2981 HE1 TRP L 54 8.480 24.520 -7.853 1.00 15.00 L H +ATOM 2982 CE2 TRP L 54 6.674 23.457 -7.763 1.00 15.00 L C +ATOM 2983 CE3 TRP L 54 5.117 21.590 -7.759 1.00 15.00 L C +ATOM 2984 CZ2 TRP L 54 5.633 24.384 -7.582 1.00 15.00 L C +ATOM 2985 CZ3 TRP L 54 4.086 22.508 -7.574 1.00 15.00 L C +ATOM 2986 CH2 TRP L 54 4.346 23.880 -7.472 1.00 15.00 L C +ATOM 2987 C TRP L 54 7.913 17.657 -7.169 1.00 15.00 L C +ATOM 2988 O TRP L 54 8.912 17.001 -6.880 1.00 15.00 L O +ATOM 2989 N TRP L 55 6.851 17.125 -7.781 1.00 15.00 L N +ATOM 2990 HN TRP L 55 6.086 17.711 -7.958 1.00 15.00 L H +ATOM 2991 CA TRP L 55 6.750 15.722 -8.207 1.00 15.00 L C +ATOM 2992 CB TRP L 55 5.439 15.506 -8.990 1.00 15.00 L C +ATOM 2993 CG TRP L 55 5.476 15.989 -10.411 1.00 15.00 L C +ATOM 2994 CD1 TRP L 55 5.644 15.227 -11.530 1.00 15.00 L C +ATOM 2995 CD2 TRP L 55 5.405 17.349 -10.857 1.00 15.00 L C +ATOM 2996 NE1 TRP L 55 5.672 16.029 -12.649 1.00 15.00 L N +ATOM 2997 HE1 TRP L 55 5.775 15.715 -13.571 1.00 15.00 L H +ATOM 2998 CE2 TRP L 55 5.519 17.335 -12.265 1.00 15.00 L C +ATOM 2999 CE3 TRP L 55 5.242 18.582 -10.204 1.00 15.00 L C +ATOM 3000 CZ2 TRP L 55 5.492 18.507 -13.031 1.00 15.00 L C +ATOM 3001 CZ3 TRP L 55 5.207 19.741 -10.962 1.00 15.00 L C +ATOM 3002 CH2 TRP L 55 5.319 19.697 -12.361 1.00 15.00 L C +ATOM 3003 C TRP L 55 7.948 15.279 -9.065 1.00 15.00 L C +ATOM 3004 O TRP L 55 8.277 14.096 -9.087 1.00 15.00 L O +ATOM 3005 N ASP L 56 8.573 16.232 -9.784 1.00 15.00 L N +ATOM 3006 HN ASP L 56 8.257 17.155 -9.691 1.00 15.00 L H +ATOM 3007 CA ASP L 56 9.694 15.983 -10.696 1.00 15.00 L C +ATOM 3008 CB ASP L 56 9.491 16.777 -11.997 1.00 15.00 L C +ATOM 3009 CG ASP L 56 9.542 18.298 -11.875 1.00 15.00 L C +ATOM 3010 OD1 ASP L 56 9.677 18.809 -10.737 1.00 15.00 L O +ATOM 3011 OD2 ASP L 56 9.448 18.974 -12.913 1.00 15.00 L O +ATOM 3012 C ASP L 56 11.068 16.248 -10.052 1.00 15.00 L C +ATOM 3013 O ASP L 56 12.093 16.264 -10.741 1.00 15.00 L O +ATOM 3014 N GLY L 57 11.062 16.442 -8.739 1.00 15.00 L N +ATOM 3015 HN GLY L 57 10.194 16.442 -8.284 1.00 15.00 L H +ATOM 3016 CA GLY L 57 12.259 16.654 -7.932 1.00 15.00 L C +ATOM 3017 C GLY L 57 12.907 18.016 -8.003 1.00 15.00 L C +ATOM 3018 O GLY L 57 14.016 18.185 -7.506 1.00 15.00 L O +ATOM 3019 N ASP L 58 12.227 18.996 -8.600 1.00 15.00 L N +ATOM 3020 HN ASP L 58 11.352 18.780 -8.985 1.00 15.00 L H +ATOM 3021 CA ASP L 58 12.708 20.376 -8.715 1.00 15.00 L C +ATOM 3022 CB ASP L 58 11.829 21.151 -9.724 1.00 15.00 L C +ATOM 3023 CG ASP L 58 12.126 22.624 -9.993 1.00 15.00 L C +ATOM 3024 OD1 ASP L 58 13.149 23.136 -9.482 1.00 15.00 L O +ATOM 3025 OD2 ASP L 58 11.335 23.265 -10.720 1.00 15.00 L O +ATOM 3026 C ASP L 58 12.631 20.983 -7.289 1.00 15.00 L C +ATOM 3027 O ASP L 58 11.541 21.066 -6.709 1.00 15.00 L O +ATOM 3028 N GLU L 59 13.803 21.297 -6.703 1.00 15.00 L N +ATOM 3029 HN GLU L 59 14.632 21.166 -7.210 1.00 15.00 L H +ATOM 3030 CA GLU L 59 13.889 21.824 -5.345 1.00 15.00 L C +ATOM 3031 CB GLU L 59 15.147 21.303 -4.632 1.00 15.00 L C +ATOM 3032 CG GLU L 59 15.244 19.787 -4.496 1.00 15.00 L C +ATOM 3033 CD GLU L 59 16.671 19.263 -4.482 1.00 15.00 L C +ATOM 3034 OE1 GLU L 59 17.560 19.950 -3.924 1.00 15.00 L O +ATOM 3035 OE2 GLU L 59 16.904 18.172 -5.053 1.00 15.00 L O +ATOM 3036 C GLU L 59 13.912 23.339 -5.364 1.00 15.00 L C +ATOM 3037 O GLU L 59 14.520 23.951 -6.252 1.00 15.00 L O +ATOM 3038 N SER L 60 13.271 23.945 -4.368 1.00 15.00 L N +ATOM 3039 HN SER L 60 12.799 23.389 -3.714 1.00 15.00 L H +ATOM 3040 CA SER L 60 13.234 25.398 -4.198 1.00 15.00 L C +ATOM 3041 CB SER L 60 11.832 25.945 -4.488 1.00 15.00 L C +ATOM 3042 OG SER L 60 11.424 25.656 -5.817 1.00 15.00 L O +ATOM 3043 HG SER L 60 11.839 24.841 -6.110 1.00 15.00 L H +ATOM 3044 C SER L 60 13.617 25.702 -2.766 1.00 15.00 L C +ATOM 3045 O SER L 60 13.160 24.998 -1.867 1.00 15.00 L O +ATOM 3046 N TYR L 61 14.428 26.754 -2.541 1.00 15.00 L N +ATOM 3047 HN TYR L 61 14.724 27.290 -3.306 1.00 15.00 L H +ATOM 3048 CA TYR L 61 14.886 27.131 -1.207 1.00 15.00 L C +ATOM 3049 CB TYR L 61 16.359 26.717 -1.005 1.00 15.00 L C +ATOM 3050 CG TYR L 61 16.600 25.230 -1.149 1.00 15.00 L C +ATOM 3051 CD1 TYR L 61 17.121 24.700 -2.325 1.00 15.00 L C +ATOM 3052 CD2 TYR L 61 16.292 24.352 -0.114 1.00 15.00 L C +ATOM 3053 CE1 TYR L 61 17.342 23.335 -2.465 1.00 15.00 L C +ATOM 3054 CE2 TYR L 61 16.527 22.987 -0.234 1.00 15.00 L C +ATOM 3055 CZ TYR L 61 17.060 22.484 -1.410 1.00 15.00 L C +ATOM 3056 OH TYR L 61 17.291 21.145 -1.538 1.00 15.00 L O +ATOM 3057 HH TYR L 61 18.157 21.005 -1.927 1.00 15.00 L H +ATOM 3058 C TYR L 61 14.778 28.609 -0.919 1.00 15.00 L C +ATOM 3059 O TYR L 61 14.944 29.436 -1.818 1.00 15.00 L O +ATOM 3060 N ASN L 62 14.564 28.947 0.361 1.00 15.00 L N +ATOM 3061 HN ASN L 62 14.404 28.241 1.022 1.00 15.00 L H +ATOM 3062 CA ASN L 62 14.564 30.334 0.791 1.00 15.00 L C +ATOM 3063 CB ASN L 62 13.921 30.479 2.166 1.00 15.00 L C +ATOM 3064 CG ASN L 62 13.734 31.912 2.630 1.00 15.00 L C +ATOM 3065 OD1 ASN L 62 14.487 32.835 2.283 1.00 15.00 L O +ATOM 3066 ND2 ASN L 62 12.736 32.128 3.460 1.00 15.00 L N +ATOM 3067 HD21 ASN L 62 12.181 31.365 3.726 1.00 15.00 L H +ATOM 3068 HD22 ASN L 62 12.588 33.043 3.778 1.00 15.00 L H +ATOM 3069 C ASN L 62 16.054 30.765 0.838 1.00 15.00 L C +ATOM 3070 O ASN L 62 16.828 30.170 1.593 1.00 15.00 L O +ATOM 3071 N PRO L 63 16.458 31.799 0.053 1.00 15.00 L N +ATOM 3072 CA PRO L 63 17.869 32.250 0.069 1.00 15.00 L C +ATOM 3073 CB PRO L 63 17.902 33.388 -0.961 1.00 15.00 L C +ATOM 3074 CG PRO L 63 16.711 33.197 -1.800 1.00 15.00 L C +ATOM 3075 CD PRO L 63 15.660 32.585 -0.906 1.00 15.00 L C +ATOM 3076 C PRO L 63 18.416 32.713 1.415 1.00 15.00 L C +ATOM 3077 O PRO L 63 19.635 32.722 1.584 1.00 15.00 L O +ATOM 3078 N SER L 64 17.545 33.074 2.372 1.00 15.00 L N +ATOM 3079 HN SER L 64 16.586 33.053 2.170 1.00 15.00 L H +ATOM 3080 CA SER L 64 17.978 33.500 3.713 1.00 15.00 L C +ATOM 3081 CB SER L 64 16.836 34.139 4.494 1.00 15.00 L C +ATOM 3082 OG SER L 64 15.759 33.244 4.709 1.00 15.00 L O +ATOM 3083 HG SER L 64 15.594 33.161 5.651 1.00 15.00 L H +ATOM 3084 C SER L 64 18.655 32.363 4.513 1.00 15.00 L C +ATOM 3085 O SER L 64 19.257 32.634 5.557 1.00 15.00 L O +ATOM 3086 N LEU L 65 18.582 31.104 3.997 1.00 15.00 L N +ATOM 3087 HN LEU L 65 18.058 30.973 3.179 1.00 15.00 L H +ATOM 3088 CA LEU L 65 19.237 29.932 4.587 1.00 15.00 L C +ATOM 3089 CB LEU L 65 18.553 29.445 5.899 1.00 15.00 L C +ATOM 3090 CG LEU L 65 17.082 28.984 5.938 1.00 15.00 L C +ATOM 3091 CD1 LEU L 65 16.851 28.094 7.153 1.00 15.00 L C +ATOM 3092 CD2 LEU L 65 16.117 30.155 6.078 1.00 15.00 L C +ATOM 3093 C LEU L 65 19.460 28.772 3.553 1.00 15.00 L C +ATOM 3094 O LEU L 65 19.804 27.658 3.961 1.00 15.00 L O +ATOM 3095 N LYS L 66 19.378 29.070 2.220 1.00 15.00 L N +ATOM 3096 HN LYS L 66 19.198 30.002 1.974 1.00 15.00 L H +ATOM 3097 CA LYS L 66 19.540 28.093 1.122 1.00 15.00 L C +ATOM 3098 CB LYS L 66 19.459 28.754 -0.277 1.00 15.00 L C +ATOM 3099 CG LYS L 66 20.598 29.714 -0.633 1.00 15.00 L C +ATOM 3100 CD LYS L 66 20.504 30.206 -2.069 1.00 15.00 L C +ATOM 3101 CE LYS L 66 21.538 31.260 -2.388 1.00 15.00 L C +ATOM 3102 NZ LYS L 66 21.220 32.574 -1.762 1.00 15.00 L N +ATOM 3103 HZ1 LYS L 66 21.953 33.272 -2.004 1.00 15.00 L H +ATOM 3104 HZ2 LYS L 66 21.178 32.477 -0.728 1.00 15.00 L H +ATOM 3105 HZ3 LYS L 66 20.300 32.920 -2.104 1.00 15.00 L H +ATOM 3106 C LYS L 66 20.808 27.207 1.238 1.00 15.00 L C +ATOM 3107 O LYS L 66 20.713 25.999 1.007 1.00 15.00 L O +ATOM 3108 N SER L 67 21.967 27.803 1.627 1.00 15.00 L N +ATOM 3109 HN SER L 67 21.947 28.763 1.824 1.00 15.00 L H +ATOM 3110 CA SER L 67 23.244 27.097 1.770 1.00 15.00 L C +ATOM 3111 CB SER L 67 24.366 28.073 2.126 1.00 15.00 L C +ATOM 3112 OG SER L 67 24.130 28.742 3.357 1.00 15.00 L O +ATOM 3113 HG SER L 67 23.901 28.099 4.032 1.00 15.00 L H +ATOM 3114 C SER L 67 23.161 26.002 2.829 1.00 15.00 L C +ATOM 3115 O SER L 67 23.842 24.982 2.709 1.00 15.00 L O +ATOM 3116 N ARG L 68 22.288 26.188 3.833 1.00 15.00 L N +ATOM 3117 HN ARG L 68 21.729 26.993 3.834 1.00 15.00 L H +ATOM 3118 CA ARG L 68 22.147 25.224 4.925 1.00 15.00 L C +ATOM 3119 CB ARG L 68 21.956 25.965 6.261 1.00 15.00 L C +ATOM 3120 CG ARG L 68 23.140 26.859 6.647 1.00 15.00 L C +ATOM 3121 CD ARG L 68 23.067 27.292 8.094 1.00 15.00 L C +ATOM 3122 NE ARG L 68 21.887 28.109 8.382 1.00 15.00 L N +ATOM 3123 HE ARG L 68 21.739 28.893 7.812 1.00 15.00 L H +ATOM 3124 CZ ARG L 68 21.013 27.866 9.349 1.00 15.00 L C +ATOM 3125 NH1 ARG L 68 19.993 28.689 9.549 1.00 15.00 L N +ATOM 3126 HH11 ARG L 68 19.310 28.495 10.309 1.00 15.00 L H +ATOM 3127 HH12 ARG L 68 19.876 29.529 8.946 1.00 15.00 L H +ATOM 3128 NH2 ARG L 68 21.161 26.805 10.139 1.00 15.00 L N +ATOM 3129 HH21 ARG L 68 21.966 26.161 10.000 1.00 15.00 L H +ATOM 3130 HH22 ARG L 68 20.472 26.620 10.896 1.00 15.00 L H +ATOM 3131 C ARG L 68 21.028 24.206 4.737 1.00 15.00 L C +ATOM 3132 O ARG L 68 20.900 23.306 5.565 1.00 15.00 L O +ATOM 3133 N LEU L 69 20.213 24.341 3.678 1.00 15.00 L N +ATOM 3134 HN LEU L 69 20.387 25.049 3.023 1.00 15.00 L H +ATOM 3135 CA LEU L 69 19.069 23.448 3.487 1.00 15.00 L C +ATOM 3136 CB LEU L 69 17.777 24.251 3.208 1.00 15.00 L C +ATOM 3137 CG LEU L 69 17.337 25.319 4.202 1.00 15.00 L C +ATOM 3138 CD1 LEU L 69 16.203 26.140 3.625 1.00 15.00 L C +ATOM 3139 CD2 LEU L 69 16.927 24.714 5.526 1.00 15.00 L C +ATOM 3140 C LEU L 69 19.220 22.433 2.387 1.00 15.00 L C +ATOM 3141 O LEU L 69 19.795 22.721 1.332 1.00 15.00 L O +ATOM 3142 N THR L 70 18.624 21.249 2.611 1.00 15.00 L N +ATOM 3143 HN THR L 70 18.250 21.077 3.500 1.00 15.00 L H +ATOM 3144 CA THR L 70 18.507 20.212 1.601 1.00 15.00 L C +ATOM 3145 CB THR L 70 19.661 19.178 1.641 1.00 15.00 L C +ATOM 3146 OG1 THR L 70 20.921 19.846 1.678 1.00 15.00 L O +ATOM 3147 HG1 THR L 70 21.169 20.111 0.789 1.00 15.00 L H +ATOM 3148 CG2 THR L 70 19.641 18.259 0.424 1.00 15.00 L C +ATOM 3149 C THR L 70 17.130 19.558 1.769 1.00 15.00 L C +ATOM 3150 O THR L 70 16.816 19.050 2.838 1.00 15.00 L O +ATOM 3151 N ILE L 71 16.322 19.574 0.714 1.00 15.00 L N +ATOM 3152 HN ILE L 71 16.613 20.044 -0.095 1.00 15.00 L H +ATOM 3153 CA ILE L 71 15.016 18.917 0.715 1.00 15.00 L C +ATOM 3154 CB ILE L 71 13.847 19.885 0.407 1.00 15.00 L C +ATOM 3155 CG1 ILE L 71 12.473 19.213 0.707 1.00 15.00 L C +ATOM 3156 CG2 ILE L 71 13.929 20.493 -1.043 1.00 15.00 L C +ATOM 3157 CD1 ILE L 71 11.225 20.185 0.573 1.00 15.00 L C +ATOM 3158 C ILE L 71 15.106 17.750 -0.246 1.00 15.00 L C +ATOM 3159 O ILE L 71 15.745 17.887 -1.276 1.00 15.00 L O +ATOM 3160 N SER L 72 14.551 16.587 0.128 1.00 15.00 L N +ATOM 3161 HN SER L 72 14.116 16.534 1.004 1.00 15.00 L H +ATOM 3162 CA SER L 72 14.570 15.399 -0.718 1.00 15.00 L C +ATOM 3163 CB SER L 72 15.792 14.534 -0.409 1.00 15.00 L C +ATOM 3164 OG SER L 72 15.793 14.087 0.936 1.00 15.00 L O +ATOM 3165 HG SER L 72 15.070 13.469 1.069 1.00 15.00 L H +ATOM 3166 C SER L 72 13.277 14.607 -0.501 1.00 15.00 L C +ATOM 3167 O SER L 72 12.560 14.837 0.477 1.00 15.00 L O +ATOM 3168 N LYS L 73 12.961 13.720 -1.443 1.00 15.00 L N +ATOM 3169 HN LYS L 73 13.553 13.617 -2.217 1.00 15.00 L H +ATOM 3170 CA LYS L 73 11.760 12.897 -1.358 1.00 15.00 L C +ATOM 3171 CB LYS L 73 10.686 13.362 -2.367 1.00 15.00 L C +ATOM 3172 CG LYS L 73 11.088 13.177 -3.840 1.00 15.00 L C +ATOM 3173 CD LYS L 73 10.022 13.658 -4.802 1.00 15.00 L C +ATOM 3174 CE LYS L 73 10.570 13.855 -6.191 1.00 15.00 L C +ATOM 3175 NZ LYS L 73 11.014 12.573 -6.826 1.00 15.00 L N +ATOM 3176 HZ1 LYS L 73 11.763 12.132 -6.255 1.00 15.00 L H +ATOM 3177 HZ2 LYS L 73 11.384 12.756 -7.780 1.00 15.00 L H +ATOM 3178 HZ3 LYS L 73 10.213 11.914 -6.898 1.00 15.00 L H +ATOM 3179 C LYS L 73 12.085 11.420 -1.548 1.00 15.00 L C +ATOM 3180 O LYS L 73 13.050 11.058 -2.241 1.00 15.00 L O +ATOM 3181 N ASP L 74 11.247 10.571 -0.946 1.00 15.00 L N +ATOM 3182 HN ASP L 74 10.534 10.945 -0.388 1.00 15.00 L H +ATOM 3183 CA ASP L 74 11.332 9.129 -1.071 1.00 15.00 L C +ATOM 3184 CB ASP L 74 11.941 8.480 0.189 1.00 15.00 L C +ATOM 3185 CG ASP L 74 12.252 6.993 0.029 1.00 15.00 L C +ATOM 3186 OD1 ASP L 74 11.446 6.280 -0.606 1.00 15.00 L O +ATOM 3187 OD2 ASP L 74 13.273 6.536 0.588 1.00 15.00 L O +ATOM 3188 C ASP L 74 9.900 8.675 -1.321 1.00 15.00 L C +ATOM 3189 O ASP L 74 9.101 8.551 -0.388 1.00 15.00 L O +ATOM 3190 N THR L 75 9.581 8.448 -2.594 1.00 15.00 L N +ATOM 3191 HN THR L 75 10.278 8.550 -3.275 1.00 15.00 L H +ATOM 3192 CA THR L 75 8.241 8.054 -3.025 1.00 15.00 L C +ATOM 3193 CB THR L 75 7.980 8.468 -4.483 1.00 15.00 L C +ATOM 3194 OG1 THR L 75 9.048 7.991 -5.296 1.00 15.00 L O +ATOM 3195 HG1 THR L 75 9.105 8.522 -6.094 1.00 15.00 L H +ATOM 3196 CG2 THR L 75 7.823 9.989 -4.651 1.00 15.00 L C +ATOM 3197 C THR L 75 7.975 6.567 -2.733 1.00 15.00 L C +ATOM 3198 O THR L 75 6.842 6.118 -2.896 1.00 15.00 L O +ATOM 3199 N SER L 76 8.999 5.811 -2.280 1.00 15.00 L N +ATOM 3200 HN SER L 76 9.890 6.211 -2.201 1.00 15.00 L H +ATOM 3201 CA SER L 76 8.809 4.406 -1.904 1.00 15.00 L C +ATOM 3202 CB SER L 76 10.085 3.590 -2.116 1.00 15.00 L C +ATOM 3203 OG SER L 76 11.005 3.674 -1.037 1.00 15.00 L O +ATOM 3204 HG SER L 76 11.847 3.298 -1.304 1.00 15.00 L H +ATOM 3205 C SER L 76 8.316 4.357 -0.443 1.00 15.00 L C +ATOM 3206 O SER L 76 7.494 3.509 -0.105 1.00 15.00 L O +ATOM 3207 N LYS L 77 8.774 5.310 0.400 1.00 15.00 L N +ATOM 3208 HN LYS L 77 9.413 5.965 0.048 1.00 15.00 L H +ATOM 3209 CA LYS L 77 8.376 5.428 1.810 1.00 15.00 L C +ATOM 3210 CB LYS L 77 9.592 5.805 2.681 1.00 15.00 L C +ATOM 3211 CG LYS L 77 10.617 4.700 2.868 1.00 15.00 L C +ATOM 3212 CD LYS L 77 11.806 5.223 3.657 1.00 15.00 L C +ATOM 3213 CE LYS L 77 12.894 4.191 3.797 1.00 15.00 L C +ATOM 3214 NZ LYS L 77 14.028 4.712 4.604 1.00 15.00 L N +ATOM 3215 HZ1 LYS L 77 13.700 4.971 5.556 1.00 15.00 L H +ATOM 3216 HZ2 LYS L 77 14.434 5.554 4.149 1.00 15.00 L H +ATOM 3217 HZ3 LYS L 77 14.769 3.987 4.689 1.00 15.00 L H +ATOM 3218 C LYS L 77 7.302 6.514 2.011 1.00 15.00 L C +ATOM 3219 O LYS L 77 6.783 6.648 3.122 1.00 15.00 L O +ATOM 3220 N ASN L 78 6.987 7.308 0.955 1.00 15.00 L N +ATOM 3221 HN ASN L 78 7.415 7.120 0.093 1.00 15.00 L H +ATOM 3222 CA ASN L 78 6.040 8.435 1.028 1.00 15.00 L C +ATOM 3223 CB ASN L 78 4.606 7.964 1.284 1.00 15.00 L C +ATOM 3224 CG ASN L 78 4.021 7.150 0.162 1.00 15.00 L C +ATOM 3225 OD1 ASN L 78 3.483 7.694 -0.800 1.00 15.00 L O +ATOM 3226 ND2 ASN L 78 4.078 5.822 0.285 1.00 15.00 L N +ATOM 3227 HD21 ASN L 78 4.493 5.449 1.091 1.00 15.00 L H +ATOM 3228 HD22 ASN L 78 3.702 5.274 -0.435 1.00 15.00 L H +ATOM 3229 C ASN L 78 6.525 9.437 2.098 1.00 15.00 L C +ATOM 3230 O ASN L 78 5.801 9.787 3.049 1.00 15.00 L O +ATOM 3231 N GLN L 79 7.796 9.846 1.961 1.00 15.00 L N +ATOM 3232 HN GLN L 79 8.320 9.516 1.202 1.00 15.00 L H +ATOM 3233 CA GLN L 79 8.425 10.766 2.904 1.00 15.00 L C +ATOM 3234 CB GLN L 79 9.366 10.022 3.871 1.00 15.00 L C +ATOM 3235 CG GLN L 79 8.642 9.222 4.967 1.00 15.00 L C +ATOM 3236 CD GLN L 79 9.558 8.335 5.782 1.00 15.00 L C +ATOM 3237 OE1 GLN L 79 10.761 8.231 5.536 1.00 15.00 L O +ATOM 3238 NE2 GLN L 79 9.003 7.673 6.791 1.00 15.00 L N +ATOM 3239 HE21 GLN L 79 8.044 7.793 6.951 1.00 15.00 L H +ATOM 3240 HE22 GLN L 79 9.576 7.092 7.334 1.00 15.00 L H +ATOM 3241 C GLN L 79 9.183 11.888 2.221 1.00 15.00 L C +ATOM 3242 O GLN L 79 9.827 11.675 1.191 1.00 15.00 L O +ATOM 3243 N VAL L 80 9.125 13.077 2.817 1.00 15.00 L N +ATOM 3244 HN VAL L 80 8.546 13.178 3.601 1.00 15.00 L H +ATOM 3245 CA VAL L 80 9.885 14.241 2.356 1.00 15.00 L C +ATOM 3246 CB VAL L 80 8.986 15.419 1.891 1.00 15.00 L C +ATOM 3247 CG1 VAL L 80 9.833 16.645 1.517 1.00 15.00 L C +ATOM 3248 CG2 VAL L 80 8.114 14.998 0.704 1.00 15.00 L C +ATOM 3249 C VAL L 80 10.803 14.611 3.516 1.00 15.00 L C +ATOM 3250 O VAL L 80 10.329 14.809 4.631 1.00 15.00 L O +ATOM 3251 N SER L 81 12.111 14.697 3.264 1.00 15.00 L N +ATOM 3252 HN SER L 81 12.439 14.526 2.356 1.00 15.00 L H +ATOM 3253 CA SER L 81 13.064 15.042 4.320 1.00 15.00 L C +ATOM 3254 CB SER L 81 14.239 14.070 4.288 1.00 15.00 L C +ATOM 3255 OG SER L 81 13.791 12.781 4.668 1.00 15.00 L O +ATOM 3256 HG SER L 81 12.965 12.584 4.221 1.00 15.00 L H +ATOM 3257 C SER L 81 13.577 16.460 4.184 1.00 15.00 L C +ATOM 3258 O SER L 81 13.743 16.950 3.077 1.00 15.00 L O +ATOM 3259 N LEU L 82 13.847 17.111 5.309 1.00 15.00 L N +ATOM 3260 HN LEU L 82 13.598 16.704 6.165 1.00 15.00 L H +ATOM 3261 CA LEU L 82 14.501 18.410 5.309 1.00 15.00 L C +ATOM 3262 CB LEU L 82 13.593 19.543 5.795 1.00 15.00 L C +ATOM 3263 CG LEU L 82 14.224 20.943 5.716 1.00 15.00 L C +ATOM 3264 CD1 LEU L 82 14.268 21.443 4.281 1.00 15.00 L C +ATOM 3265 CD2 LEU L 82 13.473 21.930 6.603 1.00 15.00 L C +ATOM 3266 C LEU L 82 15.763 18.302 6.188 1.00 15.00 L C +ATOM 3267 O LEU L 82 15.688 17.913 7.346 1.00 15.00 L O +ATOM 3268 N LYS L 83 16.907 18.605 5.608 1.00 15.00 L N +ATOM 3269 HN LYS L 83 16.901 18.849 4.659 1.00 15.00 L H +ATOM 3270 CA LYS L 83 18.184 18.593 6.318 1.00 15.00 L C +ATOM 3271 CB LYS L 83 19.239 17.794 5.529 1.00 15.00 L C +ATOM 3272 CG LYS L 83 19.015 16.287 5.504 1.00 15.00 L C +ATOM 3273 CD LYS L 83 20.102 15.551 6.269 1.00 15.00 L C +ATOM 3274 CE LYS L 83 20.101 14.072 5.967 1.00 15.00 L C +ATOM 3275 NZ LYS L 83 20.732 13.287 7.060 1.00 15.00 L N +ATOM 3276 HZ1 LYS L 83 20.718 12.274 6.826 1.00 15.00 L H +ATOM 3277 HZ2 LYS L 83 20.215 13.433 7.950 1.00 15.00 L H +ATOM 3278 HZ3 LYS L 83 21.719 13.588 7.192 1.00 15.00 L H +ATOM 3279 C LYS L 83 18.634 20.041 6.491 1.00 15.00 L C +ATOM 3280 O LYS L 83 18.627 20.800 5.516 1.00 15.00 L O +ATOM 3281 N ILE L 84 18.915 20.449 7.738 1.00 15.00 L N +ATOM 3282 HN ILE L 84 18.785 19.818 8.476 1.00 15.00 L H +ATOM 3283 CA ILE L 84 19.405 21.790 8.047 1.00 15.00 L C +ATOM 3284 CB ILE L 84 18.439 22.631 8.938 1.00 15.00 L C +ATOM 3285 CG1 ILE L 84 16.988 22.579 8.411 1.00 15.00 L C +ATOM 3286 CG2 ILE L 84 18.971 24.068 9.088 1.00 15.00 L C +ATOM 3287 CD1 ILE L 84 15.938 23.337 9.224 1.00 15.00 L C +ATOM 3288 C ILE L 84 20.787 21.635 8.674 1.00 15.00 L C +ATOM 3289 O ILE L 84 20.900 21.046 9.751 1.00 15.00 L O +ATOM 3290 N THR L 85 21.842 22.124 7.989 1.00 15.00 L N +ATOM 3291 HN THR L 85 21.699 22.570 7.128 1.00 15.00 L H +ATOM 3292 CA THR L 85 23.207 21.992 8.528 1.00 15.00 L C +ATOM 3293 CB THR L 85 24.228 21.844 7.401 1.00 15.00 L C +ATOM 3294 OG1 THR L 85 24.097 22.949 6.504 1.00 15.00 L O +ATOM 3295 HG1 THR L 85 24.613 23.690 6.830 1.00 15.00 L H +ATOM 3296 CG2 THR L 85 24.116 20.515 6.667 1.00 15.00 L C +ATOM 3297 C THR L 85 23.555 23.166 9.456 1.00 15.00 L C +ATOM 3298 O THR L 85 22.900 24.202 9.391 1.00 15.00 L O +ATOM 3299 N SER L 86 24.594 23.004 10.307 1.00 15.00 L N +ATOM 3300 HN SER L 86 25.040 22.131 10.310 1.00 15.00 L H +ATOM 3301 CA SER L 86 25.113 24.030 11.231 1.00 15.00 L C +ATOM 3302 CB SER L 86 26.034 25.004 10.489 1.00 15.00 L C +ATOM 3303 OG SER L 86 26.939 24.334 9.624 1.00 15.00 L O +ATOM 3304 HG SER L 86 26.577 24.314 8.735 1.00 15.00 L H +ATOM 3305 C SER L 86 23.979 24.805 11.911 1.00 15.00 L C +ATOM 3306 O SER L 86 23.840 26.012 11.706 1.00 15.00 L O +ATOM 3307 N VAL L 87 23.146 24.115 12.684 1.00 15.00 L N +ATOM 3308 HN VAL L 87 23.275 23.152 12.812 1.00 15.00 L H +ATOM 3309 CA VAL L 87 22.032 24.804 13.345 1.00 15.00 L C +ATOM 3310 CB VAL L 87 20.898 23.854 13.814 1.00 15.00 L C +ATOM 3311 CG1 VAL L 87 20.232 23.189 12.614 1.00 15.00 L C +ATOM 3312 CG2 VAL L 87 21.404 22.808 14.805 1.00 15.00 L C +ATOM 3313 C VAL L 87 22.507 25.742 14.462 1.00 15.00 L C +ATOM 3314 O VAL L 87 23.583 25.557 15.023 1.00 15.00 L O +ATOM 3315 N THR L 88 21.717 26.786 14.743 1.00 15.00 L N +ATOM 3316 HN THR L 88 20.906 26.916 14.209 1.00 15.00 L H +ATOM 3317 CA THR L 88 22.011 27.748 15.818 1.00 15.00 L C +ATOM 3318 CB THR L 88 22.486 29.125 15.240 1.00 15.00 L C +ATOM 3319 OG1 THR L 88 21.416 29.757 14.539 1.00 15.00 L O +ATOM 3320 HG1 THR L 88 21.119 29.187 13.826 1.00 15.00 L H +ATOM 3321 CG2 THR L 88 23.698 29.018 14.307 1.00 15.00 L C +ATOM 3322 C THR L 88 20.711 27.897 16.603 1.00 15.00 L C +ATOM 3323 O THR L 88 19.681 27.374 16.161 1.00 15.00 L O +ATOM 3324 N ALA L 89 20.718 28.664 17.713 1.00 15.00 L N +ATOM 3325 HN ALA L 89 21.564 29.062 18.008 1.00 15.00 L H +ATOM 3326 CA ALA L 89 19.493 28.925 18.499 1.00 15.00 L C +ATOM 3327 CB ALA L 89 19.824 29.763 19.731 1.00 15.00 L C +ATOM 3328 C ALA L 89 18.411 29.625 17.656 1.00 15.00 L C +ATOM 3329 O ALA L 89 17.228 29.507 17.978 1.00 15.00 L O +ATOM 3330 N ALA L 90 18.808 30.314 16.554 1.00 15.00 L N +ATOM 3331 HN ALA L 90 19.768 30.373 16.367 1.00 15.00 L H +ATOM 3332 CA ALA L 90 17.876 30.978 15.622 1.00 15.00 L C +ATOM 3333 CB ALA L 90 18.637 31.832 14.614 1.00 15.00 L C +ATOM 3334 C ALA L 90 16.989 29.953 14.879 1.00 15.00 L C +ATOM 3335 O ALA L 90 15.915 30.320 14.386 1.00 15.00 L O +ATOM 3336 N ASP L 91 17.428 28.675 14.824 1.00 15.00 L N +ATOM 3337 HN ASP L 91 18.293 28.459 15.230 1.00 15.00 L H +ATOM 3338 CA ASP L 91 16.666 27.600 14.184 1.00 15.00 L C +ATOM 3339 CB ASP L 91 17.601 26.598 13.510 1.00 15.00 L C +ATOM 3340 CG ASP L 91 18.533 27.233 12.498 1.00 15.00 L C +ATOM 3341 OD1 ASP L 91 18.035 27.876 11.549 1.00 15.00 L O +ATOM 3342 OD2 ASP L 91 19.751 27.077 12.647 1.00 15.00 L O +ATOM 3343 C ASP L 91 15.682 26.900 15.146 1.00 15.00 L C +ATOM 3344 O ASP L 91 14.990 25.963 14.734 1.00 15.00 L O +ATOM 3345 N THR L 92 15.593 27.367 16.422 1.00 15.00 L N +ATOM 3346 HN THR L 92 16.185 28.092 16.711 1.00 15.00 L H +ATOM 3347 CA THR L 92 14.627 26.804 17.371 1.00 15.00 L C +ATOM 3348 CB THR L 92 14.906 27.306 18.804 1.00 15.00 L C +ATOM 3349 OG1 THR L 92 16.140 26.732 19.244 1.00 15.00 L O +ATOM 3350 HG1 THR L 92 16.232 26.858 20.191 1.00 15.00 L H +ATOM 3351 CG2 THR L 92 13.785 26.946 19.781 1.00 15.00 L C +ATOM 3352 C THR L 92 13.255 27.248 16.851 1.00 15.00 L C +ATOM 3353 O THR L 92 13.046 28.441 16.642 1.00 15.00 L O +ATOM 3354 N ALA L 93 12.344 26.296 16.617 1.00 15.00 L N +ATOM 3355 HN ALA L 93 12.558 25.369 16.853 1.00 15.00 L H +ATOM 3356 CA ALA L 93 11.025 26.593 16.015 1.00 15.00 L C +ATOM 3357 CB ALA L 93 11.230 27.141 14.588 1.00 15.00 L C +ATOM 3358 C ALA L 93 10.198 25.342 15.902 1.00 15.00 L C +ATOM 3359 O ALA L 93 10.712 24.228 16.071 1.00 15.00 L O +ATOM 3360 N VAL L 94 8.910 25.533 15.558 1.00 15.00 L N +ATOM 3361 HN VAL L 94 8.568 26.451 15.531 1.00 15.00 L H +ATOM 3362 CA VAL L 94 8.000 24.450 15.224 1.00 15.00 L C +ATOM 3363 CB VAL L 94 6.531 24.705 15.657 1.00 15.00 L C +ATOM 3364 CG1 VAL L 94 5.605 23.608 15.119 1.00 15.00 L C +ATOM 3365 CG2 VAL L 94 6.423 24.781 17.176 1.00 15.00 L C +ATOM 3366 C VAL L 94 8.151 24.378 13.703 1.00 15.00 L C +ATOM 3367 O VAL L 94 8.079 25.417 13.030 1.00 15.00 L O +ATOM 3368 N TYR L 95 8.397 23.174 13.183 1.00 15.00 L N +ATOM 3369 HN TYR L 95 8.465 22.412 13.796 1.00 15.00 L H +ATOM 3370 CA TYR L 95 8.571 22.923 11.749 1.00 15.00 L C +ATOM 3371 CB TYR L 95 9.852 22.119 11.463 1.00 15.00 L C +ATOM 3372 CG TYR L 95 11.103 22.942 11.661 1.00 15.00 L C +ATOM 3373 CD1 TYR L 95 11.608 23.188 12.940 1.00 15.00 L C +ATOM 3374 CD2 TYR L 95 11.772 23.501 10.577 1.00 15.00 L C +ATOM 3375 CE1 TYR L 95 12.734 23.994 13.132 1.00 15.00 L C +ATOM 3376 CE2 TYR L 95 12.907 24.286 10.755 1.00 15.00 L C +ATOM 3377 CZ TYR L 95 13.376 24.543 12.034 1.00 15.00 L C +ATOM 3378 OH TYR L 95 14.499 25.317 12.198 1.00 15.00 L O +ATOM 3379 HH TYR L 95 15.080 24.906 12.842 1.00 15.00 L H +ATOM 3380 C TYR L 95 7.363 22.204 11.237 1.00 15.00 L C +ATOM 3381 O TYR L 95 6.935 21.229 11.838 1.00 15.00 L O +ATOM 3382 N PHE L 96 6.792 22.706 10.137 1.00 15.00 L N +ATOM 3383 HN PHE L 96 7.196 23.499 9.727 1.00 15.00 L H +ATOM 3384 CA PHE L 96 5.603 22.141 9.514 1.00 15.00 L C +ATOM 3385 CB PHE L 96 4.496 23.212 9.401 1.00 15.00 L C +ATOM 3386 CG PHE L 96 4.099 23.958 10.645 1.00 15.00 L C +ATOM 3387 CD1 PHE L 96 3.284 23.361 11.599 1.00 15.00 L C +ATOM 3388 CD2 PHE L 96 4.502 25.270 10.843 1.00 15.00 L C +ATOM 3389 CE1 PHE L 96 2.888 24.069 12.744 1.00 15.00 L C +ATOM 3390 CE2 PHE L 96 4.103 25.977 11.980 1.00 15.00 L C +ATOM 3391 CZ PHE L 96 3.307 25.368 12.924 1.00 15.00 L C +ATOM 3392 C PHE L 96 5.874 21.725 8.084 1.00 15.00 L C +ATOM 3393 O PHE L 96 6.605 22.417 7.367 1.00 15.00 L O +ATOM 3394 N CYS L 97 5.196 20.683 7.631 1.00 15.00 L N +ATOM 3395 HN CYS L 97 4.690 20.123 8.256 1.00 15.00 L H +ATOM 3396 CA CYS L 97 5.195 20.361 6.207 1.00 15.00 L C +ATOM 3397 C CYS L 97 3.770 20.541 5.723 1.00 15.00 L C +ATOM 3398 O CYS L 97 2.829 20.471 6.520 1.00 15.00 L O +ATOM 3399 CB CYS L 97 5.774 18.989 5.866 1.00 15.00 L C +ATOM 3400 SG CYS L 97 4.903 17.568 6.588 1.00 15.00 L S +ATOM 3401 N ALA L 98 3.617 20.921 4.452 1.00 15.00 L N +ATOM 3402 HN ALA L 98 4.410 21.025 3.886 1.00 15.00 L H +ATOM 3403 CA ALA L 98 2.311 21.183 3.889 1.00 15.00 L C +ATOM 3404 CB ALA L 98 1.976 22.664 4.009 1.00 15.00 L C +ATOM 3405 C ALA L 98 2.344 20.779 2.432 1.00 15.00 L C +ATOM 3406 O ALA L 98 3.397 20.847 1.806 1.00 15.00 L O +ATOM 3407 N ARG L 99 1.194 20.400 1.883 1.00 15.00 L N +ATOM 3408 HN ARG L 99 0.373 20.405 2.418 1.00 15.00 L H +ATOM 3409 CA ARG L 99 1.149 19.977 0.487 1.00 15.00 L C +ATOM 3410 CB ARG L 99 0.521 18.580 0.372 1.00 15.00 L C +ATOM 3411 CG ARG L 99 -0.950 18.550 0.741 1.00 15.00 L C +ATOM 3412 CD ARG L 99 -1.628 17.290 0.275 1.00 15.00 L C +ATOM 3413 NE ARG L 99 -1.843 17.261 -1.163 1.00 15.00 L N +ATOM 3414 HE ARG L 99 -1.046 17.277 -1.733 1.00 15.00 L H +ATOM 3415 CZ ARG L 99 -3.034 17.214 -1.749 1.00 15.00 L C +ATOM 3416 NH1 ARG L 99 -4.143 17.212 -1.016 1.00 15.00 L N +ATOM 3417 HH11 ARG L 99 -5.073 17.175 -1.480 1.00 15.00 L H +ATOM 3418 HH12 ARG L 99 -4.081 17.247 0.022 1.00 15.00 L H +ATOM 3419 NH2 ARG L 99 -3.129 17.167 -3.068 1.00 15.00 L N +ATOM 3420 HH21 ARG L 99 -2.268 17.167 -3.652 1.00 15.00 L H +ATOM 3421 HH22 ARG L 99 -4.064 17.130 -3.521 1.00 15.00 L H +ATOM 3422 C ARG L 99 0.375 20.948 -0.383 1.00 15.00 L C +ATOM 3423 O ARG L 99 -0.502 21.662 0.100 1.00 15.00 L O +ATOM 3424 N ASN L 100 0.649 20.900 -1.693 1.00 15.00 L N +ATOM 3425 HN ASN L 100 1.356 20.293 -1.997 1.00 15.00 L H +ATOM 3426 CA ASN L 100 -0.046 21.699 -2.690 1.00 15.00 L C +ATOM 3427 CB ASN L 100 0.661 23.047 -2.937 1.00 15.00 L C +ATOM 3428 CG ASN L 100 1.998 22.915 -3.635 1.00 15.00 L C +ATOM 3429 OD1 ASN L 100 2.982 22.528 -3.022 1.00 15.00 L O +ATOM 3430 ND2 ASN L 100 2.051 23.196 -4.942 1.00 15.00 L N +ATOM 3431 HD21 ASN L 100 1.225 23.474 -5.390 1.00 15.00 L H +ATOM 3432 HD22 ASN L 100 2.914 23.112 -5.399 1.00 15.00 L H +ATOM 3433 C ASN L 100 -0.061 20.919 -3.999 1.00 15.00 L C +ATOM 3434 O ASN L 100 0.718 19.975 -4.192 1.00 15.00 L O +ATOM 3435 N ARG L 101 -0.932 21.336 -4.898 1.00 15.00 L N +ATOM 3436 HN ARG L 101 -1.593 22.014 -4.644 1.00 15.00 L H +ATOM 3437 CA ARG L 101 -0.937 20.820 -6.245 1.00 15.00 L C +ATOM 3438 CB ARG L 101 -2.101 19.867 -6.566 1.00 15.00 L C +ATOM 3439 CG ARG L 101 -1.845 19.169 -7.914 1.00 15.00 L C +ATOM 3440 CD ARG L 101 -2.824 18.069 -8.262 1.00 15.00 L C +ATOM 3441 NE ARG L 101 -2.381 17.343 -9.461 1.00 15.00 L N +ATOM 3442 HE ARG L 101 -1.447 17.460 -9.733 1.00 15.00 L H +ATOM 3443 CZ ARG L 101 -3.152 16.547 -10.194 1.00 15.00 L C +ATOM 3444 NH1 ARG L 101 -4.429 16.378 -9.880 1.00 15.00 L N +ATOM 3445 HH11 ARG L 101 -5.028 15.754 -10.457 1.00 15.00 L H +ATOM 3446 HH12 ARG L 101 -4.831 16.870 -9.057 1.00 15.00 L H +ATOM 3447 NH2 ARG L 101 -2.660 15.936 -11.265 1.00 15.00 L N +ATOM 3448 HH21 ARG L 101 -3.269 15.314 -11.835 1.00 15.00 L H +ATOM 3449 HH22 ARG L 101 -1.666 16.079 -11.535 1.00 15.00 L H +ATOM 3450 C ARG L 101 -0.957 22.061 -7.132 1.00 15.00 L C +ATOM 3451 O ARG L 101 -1.886 22.877 -7.054 1.00 15.00 L O +ATOM 3452 N TYR L 102 0.099 22.195 -7.955 1.00 15.00 L N +ATOM 3453 HN TYR L 102 0.790 21.503 -7.893 1.00 15.00 L H +ATOM 3454 CA TYR L 102 0.330 23.260 -8.933 1.00 15.00 L C +ATOM 3455 CB TYR L 102 -0.925 23.590 -9.774 1.00 15.00 L C +ATOM 3456 CG TYR L 102 -1.532 22.370 -10.428 1.00 15.00 L C +ATOM 3457 CD1 TYR L 102 -0.768 21.541 -11.248 1.00 15.00 L C +ATOM 3458 CD2 TYR L 102 -2.852 22.004 -10.177 1.00 15.00 L C +ATOM 3459 CE1 TYR L 102 -1.310 20.395 -11.826 1.00 15.00 L C +ATOM 3460 CE2 TYR L 102 -3.412 20.864 -10.765 1.00 15.00 L C +ATOM 3461 CZ TYR L 102 -2.632 20.062 -11.586 1.00 15.00 L C +ATOM 3462 OH TYR L 102 -3.157 18.953 -12.198 1.00 15.00 L O +ATOM 3463 HH TYR L 102 -2.547 18.217 -12.106 1.00 15.00 L H +ATOM 3464 C TYR L 102 0.922 24.538 -8.358 1.00 15.00 L C +ATOM 3465 O TYR L 102 0.824 24.826 -7.160 1.00 15.00 L O +ATOM 3466 N ASP L 103 1.540 25.298 -9.262 1.00 15.00 L N +ATOM 3467 HN ASP L 103 1.609 24.948 -10.175 1.00 15.00 L H +ATOM 3468 CA ASP L 103 2.120 26.604 -9.001 1.00 15.00 L C +ATOM 3469 CB ASP L 103 3.502 26.705 -9.656 1.00 15.00 L C +ATOM 3470 CG ASP L 103 4.176 28.036 -9.422 1.00 15.00 L C +ATOM 3471 OD1 ASP L 103 4.564 28.302 -8.279 1.00 15.00 L O +ATOM 3472 OD2 ASP L 103 4.316 28.807 -10.391 1.00 15.00 L O +ATOM 3473 C ASP L 103 1.156 27.667 -9.598 1.00 15.00 L C +ATOM 3474 O ASP L 103 0.639 27.461 -10.701 1.00 15.00 L O +ATOM 3475 N PRO L 104 0.876 28.791 -8.894 1.00 15.00 L N +ATOM 3476 CA PRO L 104 1.348 29.172 -7.538 1.00 15.00 L C +ATOM 3477 CB PRO L 104 0.822 30.606 -7.370 1.00 15.00 L C +ATOM 3478 CG PRO L 104 -0.371 30.673 -8.259 1.00 15.00 L C +ATOM 3479 CD PRO L 104 -0.049 29.801 -9.444 1.00 15.00 L C +ATOM 3480 C PRO L 104 0.781 28.234 -6.472 1.00 15.00 L C +ATOM 3481 O PRO L 104 -0.330 27.744 -6.636 1.00 15.00 L O +ATOM 3482 N PRO L 105 1.510 27.959 -5.380 1.00 15.00 L N +ATOM 3483 CA PRO L 105 1.021 26.957 -4.416 1.00 15.00 L C +ATOM 3484 CB PRO L 105 2.299 26.518 -3.709 1.00 15.00 L C +ATOM 3485 CG PRO L 105 3.111 27.785 -3.660 1.00 15.00 L C +ATOM 3486 CD PRO L 105 2.857 28.443 -5.010 1.00 15.00 L C +ATOM 3487 C PRO L 105 -0.019 27.424 -3.430 1.00 15.00 L C +ATOM 3488 O PRO L 105 0.175 28.437 -2.774 1.00 15.00 L O +ATOM 3489 N TRP L 106 -1.105 26.648 -3.283 1.00 15.00 L N +ATOM 3490 HN TRP L 106 -1.237 25.889 -3.889 1.00 15.00 L H +ATOM 3491 CA TRP L 106 -2.093 26.909 -2.243 1.00 15.00 L C +ATOM 3492 CB TRP L 106 -3.539 27.017 -2.761 1.00 15.00 L C +ATOM 3493 CG TRP L 106 -3.722 27.678 -4.097 1.00 15.00 L C +ATOM 3494 CD1 TRP L 106 -4.302 27.126 -5.203 1.00 15.00 L C +ATOM 3495 CD2 TRP L 106 -3.357 29.022 -4.463 1.00 15.00 L C +ATOM 3496 NE1 TRP L 106 -4.310 28.035 -6.236 1.00 15.00 L N +ATOM 3497 HE1 TRP L 106 -4.674 27.873 -7.131 1.00 15.00 L H +ATOM 3498 CE2 TRP L 106 -3.752 29.211 -5.805 1.00 15.00 L C +ATOM 3499 CE3 TRP L 106 -2.785 30.108 -3.767 1.00 15.00 L C +ATOM 3500 CZ2 TRP L 106 -3.582 30.432 -6.474 1.00 15.00 L C +ATOM 3501 CZ3 TRP L 106 -2.600 31.310 -4.434 1.00 15.00 L C +ATOM 3502 CH2 TRP L 106 -2.972 31.457 -5.779 1.00 15.00 L C +ATOM 3503 C TRP L 106 -1.905 25.742 -1.288 1.00 15.00 L C +ATOM 3504 O TRP L 106 -2.124 24.587 -1.658 1.00 15.00 L O +ATOM 3505 N PHE L 107 -1.364 26.028 -0.103 1.00 15.00 L N +ATOM 3506 HN PHE L 107 -1.183 26.963 0.127 1.00 15.00 L H +ATOM 3507 CA PHE L 107 -1.033 24.976 0.865 1.00 15.00 L C +ATOM 3508 CB PHE L 107 0.097 25.425 1.808 1.00 15.00 L C +ATOM 3509 CG PHE L 107 1.441 25.542 1.122 1.00 15.00 L C +ATOM 3510 CD1 PHE L 107 2.117 24.406 0.677 1.00 15.00 L C +ATOM 3511 CD2 PHE L 107 1.997 26.792 0.849 1.00 15.00 L C +ATOM 3512 CE1 PHE L 107 3.345 24.515 0.008 1.00 15.00 L C +ATOM 3513 CE2 PHE L 107 3.233 26.902 0.200 1.00 15.00 L C +ATOM 3514 CZ PHE L 107 3.899 25.762 -0.219 1.00 15.00 L C +ATOM 3515 C PHE L 107 -2.311 24.479 1.565 1.00 15.00 L C +ATOM 3516 O PHE L 107 -2.725 25.018 2.578 1.00 15.00 L O +ATOM 3517 N VAL L 108 -2.987 23.506 0.910 1.00 15.00 L N +ATOM 3518 HN VAL L 108 -2.561 23.158 0.099 1.00 15.00 L H +ATOM 3519 CA VAL L 108 -4.286 22.904 1.266 1.00 15.00 L C +ATOM 3520 CB VAL L 108 -4.907 22.097 0.089 1.00 15.00 L C +ATOM 3521 CG1 VAL L 108 -5.341 23.022 -1.043 1.00 15.00 L C +ATOM 3522 CG2 VAL L 108 -3.951 21.010 -0.415 1.00 15.00 L C +ATOM 3523 C VAL L 108 -4.298 22.044 2.539 1.00 15.00 L C +ATOM 3524 O VAL L 108 -5.343 21.979 3.192 1.00 15.00 L O +ATOM 3525 N ASP L 109 -3.219 21.306 2.832 1.00 15.00 L N +ATOM 3526 HN ASP L 109 -2.445 21.339 2.231 1.00 15.00 L H +ATOM 3527 CA ASP L 109 -3.156 20.451 4.020 1.00 15.00 L C +ATOM 3528 CB ASP L 109 -3.277 18.949 3.669 1.00 15.00 L C +ATOM 3529 CG ASP L 109 -4.509 18.559 2.884 1.00 15.00 L C +ATOM 3530 OD1 ASP L 109 -5.593 18.451 3.499 1.00 15.00 L O +ATOM 3531 OD2 ASP L 109 -4.376 18.287 1.671 1.00 15.00 L O +ATOM 3532 C ASP L 109 -1.816 20.700 4.681 1.00 15.00 L C +ATOM 3533 O ASP L 109 -0.803 20.771 3.983 1.00 15.00 L O +ATOM 3534 N TRP L 110 -1.821 20.858 6.014 1.00 15.00 L N +ATOM 3535 HN TRP L 110 -2.687 20.803 6.470 1.00 15.00 L H +ATOM 3536 CA TRP L 110 -0.640 21.106 6.844 1.00 15.00 L C +ATOM 3537 CB TRP L 110 -0.778 22.486 7.537 1.00 15.00 L C +ATOM 3538 CG TRP L 110 -0.697 23.666 6.609 1.00 15.00 L C +ATOM 3539 CD1 TRP L 110 -1.572 23.987 5.607 1.00 15.00 L C +ATOM 3540 CD2 TRP L 110 0.246 24.737 6.679 1.00 15.00 L C +ATOM 3541 NE1 TRP L 110 -1.215 25.188 5.035 1.00 15.00 L N +ATOM 3542 HE1 TRP L 110 -1.673 25.619 4.283 1.00 15.00 L H +ATOM 3543 CE2 TRP L 110 -0.077 25.650 5.649 1.00 15.00 L C +ATOM 3544 CE3 TRP L 110 1.376 24.995 7.489 1.00 15.00 L C +ATOM 3545 CZ2 TRP L 110 0.656 26.818 5.432 1.00 15.00 L C +ATOM 3546 CZ3 TRP L 110 2.120 26.139 7.251 1.00 15.00 L C +ATOM 3547 CH2 TRP L 110 1.756 27.041 6.239 1.00 15.00 L C +ATOM 3548 C TRP L 110 -0.576 20.044 7.934 1.00 15.00 L C +ATOM 3549 O TRP L 110 -1.619 19.565 8.391 1.00 15.00 L O +ATOM 3550 N GLY L 111 0.633 19.717 8.372 1.00 15.00 L N +ATOM 3551 HN GLY L 111 1.415 20.104 7.926 1.00 15.00 L H +ATOM 3552 CA GLY L 111 0.833 18.804 9.492 1.00 15.00 L C +ATOM 3553 C GLY L 111 0.687 19.587 10.789 1.00 15.00 L C +ATOM 3554 O GLY L 111 0.611 20.821 10.766 1.00 15.00 L O +ATOM 3555 N GLN L 112 0.634 18.880 11.928 1.00 15.00 L N +ATOM 3556 HN GLN L 112 0.674 17.902 11.871 1.00 15.00 L H +ATOM 3557 CA GLN L 112 0.519 19.495 13.254 1.00 15.00 L C +ATOM 3558 CB GLN L 112 0.137 18.435 14.304 1.00 15.00 L C +ATOM 3559 CG GLN L 112 -1.346 18.069 14.275 1.00 15.00 L C +ATOM 3560 CD GLN L 112 -1.824 17.587 15.622 1.00 15.00 L C +ATOM 3561 OE1 GLN L 112 -1.730 16.401 15.953 1.00 15.00 L O +ATOM 3562 NE2 GLN L 112 -2.332 18.504 16.436 1.00 15.00 L N +ATOM 3563 HE21 GLN L 112 -2.369 19.432 16.123 1.00 15.00 L H +ATOM 3564 HE22 GLN L 112 -2.650 18.216 17.317 1.00 15.00 L H +ATOM 3565 C GLN L 112 1.820 20.212 13.670 1.00 15.00 L C +ATOM 3566 O GLN L 112 1.791 21.103 14.521 1.00 15.00 L O +ATOM 3567 N GLY L 113 2.938 19.801 13.076 1.00 15.00 L N +ATOM 3568 HN GLY L 113 2.872 19.068 12.428 1.00 15.00 L H +ATOM 3569 CA GLY L 113 4.246 20.380 13.337 1.00 15.00 L C +ATOM 3570 C GLY L 113 5.079 19.591 14.324 1.00 15.00 L C +ATOM 3571 O GLY L 113 4.545 18.809 15.111 1.00 15.00 L O +ATOM 3572 N THR L 114 6.394 19.804 14.282 1.00 15.00 L N +ATOM 3573 HN THR L 114 6.745 20.399 13.587 1.00 15.00 L H +ATOM 3574 CA THR L 114 7.342 19.198 15.218 1.00 15.00 L C +ATOM 3575 CB THR L 114 8.122 18.011 14.597 1.00 15.00 L C +ATOM 3576 OG1 THR L 114 8.776 17.297 15.652 1.00 15.00 L O +ATOM 3577 HG1 THR L 114 8.149 17.123 16.358 1.00 15.00 L H +ATOM 3578 CG2 THR L 114 9.137 18.430 13.540 1.00 15.00 L C +ATOM 3579 C THR L 114 8.212 20.300 15.837 1.00 15.00 L C +ATOM 3580 O THR L 114 8.774 21.131 15.120 1.00 15.00 L O +ATOM 3581 N LEU L 115 8.311 20.311 17.168 1.00 15.00 L N +ATOM 3582 HN LEU L 115 7.827 19.642 17.695 1.00 15.00 L H +ATOM 3583 CA LEU L 115 9.128 21.303 17.845 1.00 15.00 L C +ATOM 3584 CB LEU L 115 8.623 21.510 19.288 1.00 15.00 L C +ATOM 3585 CG LEU L 115 9.461 22.418 20.195 1.00 15.00 L C +ATOM 3586 CD1 LEU L 115 9.415 23.871 19.739 1.00 15.00 L C +ATOM 3587 CD2 LEU L 115 8.985 22.309 21.645 1.00 15.00 L C +ATOM 3588 C LEU L 115 10.601 20.875 17.867 1.00 15.00 L C +ATOM 3589 O LEU L 115 10.920 19.750 18.264 1.00 15.00 L O +ATOM 3590 N VAL L 116 11.487 21.800 17.478 1.00 15.00 L N +ATOM 3591 HN VAL L 116 11.148 22.657 17.146 1.00 15.00 L H +ATOM 3592 CA VAL L 116 12.936 21.599 17.523 1.00 15.00 L C +ATOM 3593 CB VAL L 116 13.633 21.565 16.135 1.00 15.00 L C +ATOM 3594 CG1 VAL L 116 15.146 21.376 16.291 1.00 15.00 L C +ATOM 3595 CG2 VAL L 116 13.042 20.485 15.234 1.00 15.00 L C +ATOM 3596 C VAL L 116 13.516 22.686 18.388 1.00 15.00 L C +ATOM 3597 O VAL L 116 13.306 23.868 18.112 1.00 15.00 L O +ATOM 3598 N THR L 117 14.271 22.280 19.426 1.00 15.00 L N +ATOM 3599 HN THR L 117 14.326 21.318 19.603 1.00 15.00 L H +ATOM 3600 CA THR L 117 15.011 23.176 20.302 1.00 15.00 L C +ATOM 3601 CB THR L 117 14.729 22.881 21.786 1.00 15.00 L C +ATOM 3602 OG1 THR L 117 13.339 23.074 22.059 1.00 15.00 L O +ATOM 3603 HG1 THR L 117 13.070 23.944 21.755 1.00 15.00 L H +ATOM 3604 CG2 THR L 117 15.591 23.738 22.727 1.00 15.00 L C +ATOM 3605 C THR L 117 16.490 22.972 19.975 1.00 15.00 L C +ATOM 3606 O THR L 117 16.976 21.835 19.993 1.00 15.00 L O +ATOM 3607 N VAL L 118 17.202 24.073 19.707 1.00 15.00 L N +ATOM 3608 HN VAL L 118 16.745 24.940 19.693 1.00 15.00 L H +ATOM 3609 CA VAL L 118 18.633 24.030 19.435 1.00 15.00 L C +ATOM 3610 CB VAL L 118 19.049 24.811 18.176 1.00 15.00 L C +ATOM 3611 CG1 VAL L 118 20.562 24.703 17.958 1.00 15.00 L C +ATOM 3612 CG2 VAL L 118 18.275 24.328 16.946 1.00 15.00 L C +ATOM 3613 C VAL L 118 19.309 24.570 20.686 1.00 15.00 L C +ATOM 3614 O VAL L 118 19.177 25.761 20.997 1.00 15.00 L O +ATOM 3615 N SER L 119 19.998 23.689 21.425 1.00 15.00 L N +ATOM 3616 HN SER L 119 20.080 22.765 21.108 1.00 15.00 L H +ATOM 3617 CA SER L 119 20.632 24.064 22.692 1.00 15.00 L C +ATOM 3618 CB SER L 119 19.574 24.137 23.801 1.00 15.00 L C +ATOM 3619 OG SER L 119 20.153 24.439 25.061 1.00 15.00 L O +ATOM 3620 HG SER L 119 21.040 24.074 25.102 1.00 15.00 L H +ATOM 3621 C SER L 119 21.682 23.055 23.100 1.00 15.00 L C +ATOM 3622 O SER L 119 21.560 21.876 22.770 1.00 15.00 L O +ATOM 3623 N SER L 120 22.678 23.514 23.893 1.00 15.00 L N +ATOM 3624 HN SER L 120 22.706 24.472 24.098 1.00 15.00 L H +ATOM 3625 CA SER L 120 23.718 22.648 24.462 1.00 15.00 L C +ATOM 3626 CB SER L 120 25.044 23.399 24.543 1.00 15.00 L C +ATOM 3627 OG SER L 120 25.644 23.556 23.267 1.00 15.00 L O +ATOM 3628 HG SER L 120 26.416 22.989 23.204 1.00 15.00 L H +ATOM 3629 C SER L 120 23.299 22.160 25.864 1.00 15.00 L C +ATOM 3630 O SER L 120 24.022 21.387 26.486 1.00 15.00 L O +END diff --git a/integration_tests/golden_data/ab_ag_BHL.psf b/integration_tests/golden_data/ab_ag_BHL.psf new file mode 100644 index 0000000000..0d3fa6b28f --- /dev/null +++ b/integration_tests/golden_data/ab_ag_BHL.psf @@ -0,0 +1,27679 @@ +data_cns_mtf + +_cns_mtf.title +; FILENAME="ab_ag_BHL_haddock.psf" + disulphide added: from H 143 to H 208 + disulphide added: from L 22 to L 97 + DATE:22-Oct-2025 13:55:40 created by user: unknown + VERSION:1.3U +; + +loop_ +_cns_mtf_atom.id +_cns_mtf_atom.segment_id +_cns_mtf_atom.residue_id +_cns_mtf_atom.residue_name +_cns_mtf_atom.atom_name +_cns_mtf_atom.chemical_type +_cns_mtf_atom.charge +_cns_mtf_atom.atom_mass +1 'B' '1' 'VAL' 'N' 'NH1' -0.570000 14.0070 +2 'B' '1' 'VAL' 'HN' 'H' 0.370000 1.00800 +3 'B' '1' 'VAL' 'CA' 'CH1E' 0.200000 12.0110 +4 'B' '1' 'VAL' 'CB' 'CH1E' 0.00000 12.0110 +5 'B' '1' 'VAL' 'CG1' 'CH3E' 0.00000 12.0110 +6 'B' '1' 'VAL' 'CG2' 'CH3E' -0.00000 12.0110 +7 'B' '1' 'VAL' 'C' 'C' 0.500000 12.0110 +8 'B' '1' 'VAL' 'O' 'O' -0.500000 15.9990 +9 'B' '2' 'ARG' 'N' 'NH1' -0.570000 14.0070 +10 'B' '2' 'ARG' 'HN' 'H' 0.370000 1.00800 +11 'B' '2' 'ARG' 'CA' 'CH1E' 0.200000 12.0110 +12 'B' '2' 'ARG' 'CB' 'CH2E' 0.00000 12.0110 +13 'B' '2' 'ARG' 'CG' 'CH2E' 0.700000E-01 12.0110 +14 'B' '2' 'ARG' 'CD' 'CH2E' 0.310000 12.0110 +15 'B' '2' 'ARG' 'NE' 'NH1' -0.700000 14.0070 +16 'B' '2' 'ARG' 'HE' 'H' 0.440000 1.00800 +17 'B' '2' 'ARG' 'CZ' 'C' 0.640000 12.0110 +18 'B' '2' 'ARG' 'NH1' 'NC2' -0.800000 14.0070 +19 'B' '2' 'ARG' 'HH11' 'HC' 0.460000 1.00800 +20 'B' '2' 'ARG' 'HH12' 'HC' 0.460000 1.00800 +21 'B' '2' 'ARG' 'NH2' 'NC2' -0.800000 14.0070 +22 'B' '2' 'ARG' 'HH21' 'HC' 0.460000 1.00800 +23 'B' '2' 'ARG' 'HH22' 'HC' 0.460000 1.00800 +24 'B' '2' 'ARG' 'C' 'C' 0.500000 12.0110 +25 'B' '2' 'ARG' 'O' 'O' -0.500000 15.9990 +26 'B' '3' 'SER' 'N' 'NH1' -0.570000 14.0070 +27 'B' '3' 'SER' 'HN' 'H' 0.370000 1.00800 +28 'B' '3' 'SER' 'CA' 'CH1E' 0.200000 12.0110 +29 'B' '3' 'SER' 'CB' 'CH2E' 0.265000 12.0110 +30 'B' '3' 'SER' 'OG' 'OH1' -0.700000 15.9990 +31 'B' '3' 'SER' 'HG' 'H' 0.435000 1.00800 +32 'B' '3' 'SER' 'C' 'C' 0.500000 12.0110 +33 'B' '3' 'SER' 'O' 'O' -0.500000 15.9990 +34 'B' '4' 'LEU' 'N' 'NH1' -0.570000 14.0070 +35 'B' '4' 'LEU' 'HN' 'H' 0.370000 1.00800 +36 'B' '4' 'LEU' 'CA' 'CH1E' 0.200000 12.0110 +37 'B' '4' 'LEU' 'CB' 'CH2E' 0.00000 12.0110 +38 'B' '4' 'LEU' 'CG' 'CH1E' 0.00000 12.0110 +39 'B' '4' 'LEU' 'CD1' 'CH3E' 0.00000 12.0110 +40 'B' '4' 'LEU' 'CD2' 'CH3E' 0.00000 12.0110 +41 'B' '4' 'LEU' 'C' 'C' 0.500000 12.0110 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'O' -0.500000 15.9990 +3505 'L' '107' 'PHE' 'N' 'NH1' -0.570000 14.0070 +3506 'L' '107' 'PHE' 'HN' 'H' 0.370000 1.00800 +3507 'L' '107' 'PHE' 'CA' 'CH1E' 0.200000 12.0110 +3508 'L' '107' 'PHE' 'CB' 'CH2E' 0.00000 12.0110 +3509 'L' '107' 'PHE' 'CG' 'CF' 0.00000 12.0110 +3510 'L' '107' 'PHE' 'CD1' 'CR1E' 0.00000 12.0110 +3511 'L' '107' 'PHE' 'CD2' 'CR1E' 0.00000 12.0110 +3512 'L' '107' 'PHE' 'CE1' 'CR1E' 0.00000 12.0110 +3513 'L' '107' 'PHE' 'CE2' 'CR1E' 0.00000 12.0110 +3514 'L' '107' 'PHE' 'CZ' 'CR1E' 0.00000 12.0110 +3515 'L' '107' 'PHE' 'C' 'C' 0.500000 12.0110 +3516 'L' '107' 'PHE' 'O' 'O' -0.500000 15.9990 +3517 'L' '108' 'VAL' 'N' 'NH1' -0.570000 14.0070 +3518 'L' '108' 'VAL' 'HN' 'H' 0.370000 1.00800 +3519 'L' '108' 'VAL' 'CA' 'CH1E' 0.200000 12.0110 +3520 'L' '108' 'VAL' 'CB' 'CH1E' 0.00000 12.0110 +3521 'L' '108' 'VAL' 'CG1' 'CH3E' 0.00000 12.0110 +3522 'L' '108' 'VAL' 'CG2' 'CH3E' -0.00000 12.0110 +3523 'L' '108' 'VAL' 'C' 'C' 0.500000 12.0110 +3524 'L' '108' 'VAL' 'O' 'O' -0.500000 15.9990 +3525 'L' '109' 'ASP' 'N' 'NH1' -0.570000 14.0070 +3526 'L' '109' 'ASP' 'HN' 'H' 0.370000 1.00800 +3527 'L' '109' 'ASP' 'CA' 'CH1E' 0.200000 12.0110 +3528 'L' '109' 'ASP' 'CB' 'CH2E' -0.100000 12.0110 +3529 'L' '109' 'ASP' 'CG' 'C' 0.700000 12.0110 +3530 'L' '109' 'ASP' 'OD1' 'OC' -0.800000 15.9990 +3531 'L' '109' 'ASP' 'OD2' 'OC' -0.800000 15.9990 +3532 'L' '109' 'ASP' 'C' 'C' 0.500000 12.0110 +3533 'L' '109' 'ASP' 'O' 'O' -0.500000 15.9990 +3534 'L' '110' 'TRP' 'N' 'NH1' -0.570000 14.0070 +3535 'L' '110' 'TRP' 'HN' 'H' 0.370000 1.00800 +3536 'L' '110' 'TRP' 'CA' 'CH1E' 0.200000 12.0110 +3537 'L' '110' 'TRP' 'CB' 'CH2E' 0.00000 12.0110 +3538 'L' '110' 'TRP' 'CG' 'C5W' -0.550000E-01 12.0110 +3539 'L' '110' 'TRP' 'CD1' 'CR1E' 0.130000 12.0110 +3540 'L' '110' 'TRP' 'CD2' 'CW' -0.550000E-01 12.0110 +3541 'L' '110' 'TRP' 'NE1' 'NH1' -0.570000 14.0070 +3542 'L' '110' 'TRP' 'HE1' 'H' 0.420000 1.00800 +3543 'L' '110' 'TRP' 'CE2' 'CW' 0.130000 12.0110 +3544 'L' '110' 'TRP' 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'H' 0.425000 1.00800 +3565 'L' '112' 'GLN' 'C' 'C' 0.500000 12.0110 +3566 'L' '112' 'GLN' 'O' 'O' -0.500000 15.9990 +3567 'L' '113' 'GLY' 'N' 'NH1' -0.570000 14.0070 +3568 'L' '113' 'GLY' 'HN' 'H' 0.370000 1.00800 +3569 'L' '113' 'GLY' 'CA' 'CH2G' 0.200000 12.0110 +3570 'L' '113' 'GLY' 'C' 'C' 0.500000 12.0110 +3571 'L' '113' 'GLY' 'O' 'O' -0.500000 15.9990 +3572 'L' '114' 'THR' 'N' 'NH1' -0.570000 14.0070 +3573 'L' '114' 'THR' 'HN' 'H' 0.370000 1.00800 +3574 'L' '114' 'THR' 'CA' 'CH1E' 0.200000 12.0110 +3575 'L' '114' 'THR' 'CB' 'CH1E' 0.265000 12.0110 +3576 'L' '114' 'THR' 'OG1' 'OH1' -0.700000 15.9990 +3577 'L' '114' 'THR' 'HG1' 'H' 0.435000 1.00800 +3578 'L' '114' 'THR' 'CG2' 'CH3E' -0.00000 12.0110 +3579 'L' '114' 'THR' 'C' 'C' 0.500000 12.0110 +3580 'L' '114' 'THR' 'O' 'O' -0.500000 15.9990 +3581 'L' '115' 'LEU' 'N' 'NH1' -0.570000 14.0070 +3582 'L' '115' 'LEU' 'HN' 'H' 0.370000 1.00800 +3583 'L' '115' 'LEU' 'CA' 'CH1E' 0.200000 12.0110 +3584 'L' '115' 'LEU' 'CB' 'CH2E' 0.00000 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+3367 +3381 +3393 +3398 +3400 +3406 +3423 +3434 +3451 +3465 +3474 +3481 +3488 +3504 +3516 +3524 +3533 +3549 +3554 +3566 +3571 +3580 +3589 +3597 +3606 +3614 +3622 +-1 + diff --git a/integration_tests/test_emscoring.py b/integration_tests/test_emscoring.py index 6b21a23de0..60a087c9fc 100644 --- a/integration_tests/test_emscoring.py +++ b/integration_tests/test_emscoring.py @@ -53,6 +53,32 @@ def output(self) -> None: return None +class MockPreviousIO_3chains: + def __init__(self, path): + self.path = path + + def retrieve_models(self, individualize: bool = False): + file_bn = "ab_ag_BHL" + shutil.copy( + Path(GOLDEN_DATA, f"{file_bn}.pdb"), + Path(self.path, f"{file_bn}.pdb"), + ) + + # add the topology to the models + psf_file = Path(GOLDEN_DATA, f"{file_bn}.psf") + model_list = [ + PDBFile( + file_name=f"{file_bn}.pdb", + path=self.path, + topology=TopologyFile(psf_file), + ), + ] + return model_list + + def output(self) -> None: + return None + + def test_emscoring_default(emscoring_module, calc_fnat): """Test the emscoring module.""" emscoring_module.previous_io = MockPreviousIO(path=emscoring_module.path) @@ -83,5 +109,36 @@ def test_emscoring_default(emscoring_module, calc_fnat): df_perint = pd.read_csv(expected_interface_csv, sep="\t", comment="#") # check that the score is equal to the global score (it's a dimer!) assert df_perint["score"].tolist() == df["score"].tolist() - + +def test_emscoring_3chains(emscoring_module): + """Test the emscoring module with interface selection.""" + emscoring_module.previous_io = MockPreviousIO_3chains(path=emscoring_module.path) + emscoring_module.run() + + expected_pdb1 = Path(emscoring_module.path, "emscoring_1.pdb") + expected_csv_all = Path(emscoring_module.path, "emscoring.tsv") + + assert expected_pdb1.exists(), f"{expected_pdb1} does not exist" + assert expected_csv_all.exists(), f"{expected_csv_all} does not exist" + df_all = pd.read_csv(expected_csv_all, sep="\t", comment="#") + + # check the interface scoring + expected_BH_interface_csv = Path(emscoring_module.path, "emscoring_B_H.tsv") + assert expected_BH_interface_csv.exists(), f"{expected_BH_interface_csv} does not exist" + expected_BL_interface_csv = Path(emscoring_module.path, "emscoring_B_L.tsv") + assert expected_BL_interface_csv.exists(), f"{expected_BL_interface_csv} does not exist" + + # Set chain combination parameter + emscoring_module.params["interface_combinations"] = ["B,H", "B,L"] + emscoring_module.run() + + expected_pdb1 = Path(emscoring_module.path, "emscoring_1.pdb") + expected_csv_combi = Path(emscoring_module.path, "emscoring.tsv") + + assert expected_pdb1.exists(), f"{expected_pdb1} does not exist" + assert expected_csv_combi.exists(), f"{expected_csv_combi} does not exist" + df_combi = pd.read_csv(expected_csv_combi, sep="\t", comment="#") + + # Ensure the score are different + assert df_all["score"].tolist() != df_combi["score"].tolist() diff --git a/integration_tests/test_mdscoring.py b/integration_tests/test_mdscoring.py index deddfc22e7..7116b949e7 100644 --- a/integration_tests/test_mdscoring.py +++ b/integration_tests/test_mdscoring.py @@ -64,6 +64,32 @@ def output(self) -> None: return None +class MockPreviousIO_3chains: + def __init__(self, path): + self.path = path + + def retrieve_models(self, individualize: bool = False): + file_bn = "ab_ag_BHL" + shutil.copy( + Path(GOLDEN_DATA, f"{file_bn}.pdb"), + Path(self.path, f"{file_bn}.pdb"), + ) + + # add the topology to the models + psf_file = Path(GOLDEN_DATA, f"{file_bn}.psf") + model_list = [ + PDBFile( + file_name=f"{file_bn}.pdb", + path=self.path, + topology=TopologyFile(psf_file), + ), + ] + return model_list + + def output(self) -> None: + return None + + def test_mdscoring_default(mdscoring_module, calc_fnat): """Test the mdscoring module.""" mdscoring_module.previous_io = MockPreviousIO(path=mdscoring_module.path) @@ -95,3 +121,36 @@ def test_mdscoring_default(mdscoring_module, calc_fnat): # check that the score is equal to the global score (it's a dimer!) for perint, sc in zip(df_perint["score"].tolist(), df["score"].tolist()): assert perint == pytest.approx(sc, abs=0.01) + + +def test_mdscoring_3chains(mdscoring_module): + """Test the mdscoring module with interface selection.""" + mdscoring_module.previous_io = MockPreviousIO_3chains(path=mdscoring_module.path) + mdscoring_module.run() + + expected_pdb1 = Path(mdscoring_module.path, "mdscoring_1.pdb") + expected_csv_all = Path(mdscoring_module.path, "mdscoring.tsv") + + assert expected_pdb1.exists(), f"{expected_pdb1} does not exist" + assert expected_csv_all.exists(), f"{expected_csv_all} does not exist" + df_all = pd.read_csv(expected_csv_all, sep="\t", comment="#") + + # check the interface scoring + expected_BH_interface_csv = Path(mdscoring_module.path, "mdscoring_B_H.tsv") + assert expected_BH_interface_csv.exists(), f"{expected_BH_interface_csv} does not exist" + expected_BL_interface_csv = Path(mdscoring_module.path, "mdscoring_B_L.tsv") + assert expected_BL_interface_csv.exists(), f"{expected_BL_interface_csv} does not exist" + + # Set chain combination parameter + mdscoring_module.params["interface_combinations"] = ["B,H", "B,L"] + mdscoring_module.run() + + expected_pdb1 = Path(mdscoring_module.path, "mdscoring_1.pdb") + expected_csv_combi = Path(mdscoring_module.path, "mdscoring.tsv") + + assert expected_pdb1.exists(), f"{expected_pdb1} does not exist" + assert expected_csv_combi.exists(), f"{expected_csv_combi} does not exist" + df_combi = pd.read_csv(expected_csv_combi, sep="\t", comment="#") + + # Ensure the score are different + assert df_all["score"].tolist() != df_combi["score"].tolist() diff --git a/tests/test_module_emscoring.py b/tests/test_module_emscoring.py index 94ee6d783a..0d103ccab8 100644 --- a/tests/test_module_emscoring.py +++ b/tests/test_module_emscoring.py @@ -1,6 +1,5 @@ """Test the emscoring module.""" -import os import tempfile from pathlib import Path From 862c8534ffe982be6dcc65d45771151fd7c122be Mon Sep 17 00:00:00 2001 From: VGPReys Date: Wed, 22 Oct 2025 17:08:59 +0200 Subject: [PATCH 025/101] simplify the use of set of ambig as archives --- src/haddock/modules/base_cns_module.py | 32 ++++++++++++++++---------- 1 file changed, 20 insertions(+), 12 deletions(-) diff --git a/src/haddock/modules/base_cns_module.py b/src/haddock/modules/base_cns_module.py index 501fd2130a..597f11bdb5 100644 --- a/src/haddock/modules/base_cns_module.py +++ b/src/haddock/modules/base_cns_module.py @@ -1,6 +1,7 @@ """Functionalities related to CNS modules.""" import os import shutil +import tarfile from pathlib import Path from haddock import log @@ -9,7 +10,6 @@ from haddock.core.typing import Any, FilePath, Optional, Union from haddock.gear.expandable_parameters import populate_mol_parameters_in_module from haddock.libs.libio import working_directory -from haddock.libs.libutil import sort_numbered_paths from haddock.modules import BaseHaddockModule @@ -129,26 +129,34 @@ def get_ambig_fnames( list of ambig_fname files to be used by the CNS module """ ambig_fname: Optional[Path] = self.params["ambig_fname"] - ambig_fnames = None + ambig_fnames: Union[list[FilePath], None] = None if ambig_fname: if ambig_fname.name.endswith("tgz"): - exp_name = ambig_fname.name.split(".tbl.tgz")[0] - exp_dir = ambig_fname.parent - self.log(f"Searching for {exp_name}*tbl files in {exp_dir}") - path = ambig_fname.parent - ambig_fnames = list(path.glob(f"{exp_name}*tbl")) + self.log(f"Searching for tbl files in {ambig_fname}") + basepath = ambig_fname.parent + # Open archive to retrieve members + with tarfile.open(ambig_fname, mode="r:gz") as targz: + # Get filenames + tbl_files = targz.getmembers() + # At that stage, they should be already extracted + # and we simply need to generate the full paths + _ambig_fnames = [Path(basepath, tbl.name) for tbl in tbl_files] + # Make sure they exists + ambig_fnames = [p for p in _ambig_fnames if p.exists()] # abort execution if no files are found if len(ambig_fnames) == 0: - raise Exception( - f"No {exp_name}*tbl files found in {exp_dir}" - ) + raise Exception(f"No tbl files found in {ambig_fname} !") self.log(f"Found {len(ambig_fnames)} compatible tbl files") - ambig_fnames = sort_numbered_paths(*ambig_fnames) + # Sort them to make sure we get the same order every time + ambig_fnames.sort() else: if self.params["previous_ambig"]: # check if there is restraint information in all models if None in prev_ambig_fnames: - raise Exception("'previous_ambig' option selected but no available restraint information in models") # noqa: E501 + raise Exception( + "'previous_ambig' option selected but no available " + "restraint information in models" + ) self.log("Using previously defined restraints") ambig_fnames = prev_ambig_fnames.copy() return ambig_fnames From caf70d826bc99b6210aada5f15ee26a86707bd23 Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Thu, 23 Oct 2025 13:22:27 +0200 Subject: [PATCH 026/101] linting --- src/haddock/libs/libpdb.py | 127 +++++++++++++++++++------------------ 1 file changed, 66 insertions(+), 61 deletions(-) diff --git a/src/haddock/libs/libpdb.py b/src/haddock/libs/libpdb.py index a953af6828..ee4592e627 100644 --- a/src/haddock/libs/libpdb.py +++ b/src/haddock/libs/libpdb.py @@ -1,4 +1,5 @@ """Parse molecular structures in PDB format.""" + import os from functools import partial from pathlib import Path @@ -18,7 +19,7 @@ Optional, TypeVar, Union, - ) +) from haddock.libs.libio import working_directory, PDBFile from haddock.libs.libutil import get_result_or_same_in_list, sort_numbered_paths @@ -63,15 +64,15 @@ def format_atom_name(atom: str, element: str) -> str: Formatted atom name. """ # string formats for atom name - _3 = ' {:<3s}' - _4 = '{:<4s}' + _3 = " {:<3s}" + _4 = "{:<4s}" # len of element, atom formatting string # anything outside this is an error _atom_format_dict = { # len of element: {len of atom name} 1: {1: _3, 2: _3, 3: _3, 4: _4}, 2: {1: _4, 2: _4, 3: _4, 4: _4}, - } + } atm = atom.strip() len_atm = len(atm) @@ -80,7 +81,7 @@ def format_atom_name(atom: str, element: str) -> str: try: return _atom_format_dict[len_ele][len_atm].format(atm) except KeyError as err: - _ = f'Could not format this atom:type -> {atom}:{element}' + _ = f"Could not format this atom:type -> {atom}:{element}" # raising KeyError assures that no context in IDPConfGen # will handle it. @joaomcteixeira never handles pure Python # exceptions, those are treated as bugs. @@ -107,14 +108,13 @@ def get_supported_residues(haddock_topology: FilePath) -> list[str]: "HIE": "HIS", "WAT ": "TIP3", " 0.00969": " 0.00 ", - } +} # Get list of supported residues to keep when pre-processing _to_keep = list(supported_residues) -def split_ensemble(pdb_file_path: Path, - dest: Optional[FilePath] = None) -> list[Path]: +def split_ensemble(pdb_file_path: Path, dest: Optional[FilePath] = None) -> list[Path]: """ Split a multimodel PDB file into different structures. @@ -153,8 +153,7 @@ def tidy(pdb_file_path: FilePath, new_pdb_file_path: FilePath) -> None: output_handler.write(line) -def swap_segid_chain(pdb_file_path: FilePath, - new_pdb_file_path: FilePath) -> None: +def swap_segid_chain(pdb_file_path: FilePath, new_pdb_file_path: FilePath) -> None: """Add to the Chain ID column the found Segid.""" abs_path = Path(pdb_file_path).resolve().parent.absolute() with open(pdb_file_path) as input_handler: @@ -165,9 +164,10 @@ def swap_segid_chain(pdb_file_path: FilePath, def sanitize( - pdb_file_path: FilePathT, - overwrite: bool = True, - custom_topology: Optional[FilePath] = None) -> Union[FilePathT, Path]: + pdb_file_path: FilePathT, + overwrite: bool = True, + custom_topology: Optional[FilePath] = None, +) -> Union[FilePathT, Path]: """Sanitize a PDB file.""" if custom_topology: custom_res_to_keep = get_supported_residues(custom_topology) @@ -191,9 +191,7 @@ def sanitize( # Check if anything has been kept from this file if len(good_lines) == 0: - raise SetupError( - f"No coordinates kept after sanitzing {pdb_file_path.name}." - ) + raise SetupError(f"No coordinates kept after sanitzing {pdb_file_path.name}.") if overwrite: with open(pdb_file_path, "w") as output_handler: @@ -207,8 +205,9 @@ def sanitize( return new_pdb_file -def identify_chainseg(pdb_file_path: FilePath, - sort: bool = True) -> tuple[list[str], list[str]]: +def identify_chainseg( + pdb_file_path: FilePath, sort: bool = True +) -> tuple[list[str], list[str]]: """Return segID OR chainID.""" segids: list[str] = [] chains: list[str] = [] @@ -228,11 +227,11 @@ def identify_chainseg(pdb_file_path: FilePath, segids.append(segid) if chainid: chains.append(chainid) - + if not segid and not chainid: raise ValueError( f"Could not identify chainID or segID in pdb {pdb_file_path}, line {line}" - ) + ) if sort: segids = sorted(list(set(segids))) @@ -252,12 +251,11 @@ def get_new_models(pdb_file_path: FilePath) -> list[Path]: new_models = get_result_or_same_in_list( get_pdb_file_suffix_variations, pdb_file_path, - ) + ) return new_models -def get_pdb_file_suffix_variations(file_name: FilePath, - sep: str = "_") -> list[Path]: +def get_pdb_file_suffix_variations(file_name: FilePath, sep: str = "_") -> list[Path]: """ List suffix variations of a PDB file in the current path. @@ -284,9 +282,10 @@ def get_pdb_file_suffix_variations(file_name: FilePath, def read_RECORD_section( - lines: Iterable[str], - section_slice: slice, - func: Callable[[Iterable[str]], Iterable[str]] = set) -> Iterable[str]: + lines: Iterable[str], + section_slice: slice, + func: Callable[[Iterable[str]], Iterable[str]] = set, +) -> Iterable[str]: """ Create a set of observations from a section of the ATOM line. @@ -299,19 +298,22 @@ def read_RECORD_section( chainids = func( the_line for line in lines - if line.startswith(('ATOM', 'HETATM')) and (the_line := line[section_slice].strip()) # noqa: E501 - ) + if line.startswith(("ATOM", "HETATM")) + and (the_line := line[section_slice].strip()) # noqa: E501 + ) return chainids -read_chainids = partial(read_RECORD_section, section_slice=slc_chainid, func=list) # noqa: E501 +read_chainids = partial( + read_RECORD_section, section_slice=slc_chainid, func=list +) # noqa: E501 read_segids = partial(read_RECORD_section, section_slice=slc_segid, func=list) def add_TER_on_chain_breaks( - input_pdb: FilePath, - output_pdb: FilePath, - ) -> None: + input_pdb: FilePath, + output_pdb: FilePath, +) -> None: """Detect chain breaks and add TER statements between them. Parameters @@ -322,7 +324,7 @@ def add_TER_on_chain_breaks( Output PDB filepath with added TER statements between chain breaks. """ Residue = dict[str, Union[list[str], list[float], str]] - residueT = TypeVar('residueT', bound=Residue) + residueT = TypeVar("residueT", bound=Residue) def euclidean_dist(atm1: list[float], atm2: list[float]) -> float: """Compute Euclidean distances between two points. @@ -362,7 +364,7 @@ def detected_chain_break(residue1: residueT, residue2: residueT) -> bool: backbone_dists = { "protein": 3.5, # very loose ! "DNA": 4.5, - } + } # Detect type of residues # DNA case try: @@ -394,7 +396,7 @@ def detected_chain_break(residue1: residueT, residue2: residueT) -> bool: def write_residue(fhandler, residue_lines: list[str]) -> None: """Writes residues line to file. - + Parameters ---------- fhandler : _type_ @@ -404,12 +406,12 @@ def write_residue(fhandler, residue_lines: list[str]) -> None: """ for _ in residue_lines: fhandler.write(_) - + def write_previous_residue( - fhandler, - previous: residueT, - current: residueT, - ) -> None: + fhandler, + previous: residueT, + current: residueT, + ) -> None: """Write residue lines to file, possibly ending by TER. Parameters @@ -427,23 +429,33 @@ def write_previous_residue( chain_break = detected_chain_break( previous, current, - ) + ) # If chain break detected or new chain in file if chain_break or previous["chain"] != current["chain"]: fhandler.write(f"TER{os.linesep}") # Initiate parsing variables BB_atomnames: tuple[str, str, str, str] = ( - "C", "N", # for peptide bonds - "O3'", "O5'", # for DNA/RNA - ) - current_resid: tuple[str, str] = ("-", "-", ) + "C", + "N", # for peptide bonds + "O3'", + "O5'", # for DNA/RNA + ) + current_resid: tuple[str, str] = ( + "-", + "-", + ) previous_residue: residueT = {"lines": []} current_residue: residueT = {"lines": []} # Read input file with open(input_pdb, "r") as fin, open(output_pdb, "w") as fout: for _ in fin: - if _.startswith(("ATOM", "HETATM", )): + if _.startswith( + ( + "ATOM", + "HETATM", + ) + ): # Extract specific data from coordinates record chainid = _[slc_chainid].strip() resid = _[slc_resseq].strip() @@ -454,15 +466,14 @@ def write_previous_residue( # Make sure it is not first residue if len(previous_residue["lines"]) > 0: # Write previous residue - write_previous_residue( - fout, - previous_residue, - current_residue - ) + write_previous_residue(fout, previous_residue, current_residue) # Reset previous residue to current residue previous_residue = current_residue # Initialize new current residue - current_resid = (chainid, resid, ) + current_resid = ( + chainid, + resid, + ) current_residue = {"lines": [], "chain": chainid} # Hold residue line @@ -475,13 +486,9 @@ def write_previous_residue( float(_[slc_x]), float(_[slc_y]), float(_[slc_z]), - ] + ] # Last previous residue - write_previous_residue( - fout, - previous_residue, - current_residue - ) + write_previous_residue(fout, previous_residue, current_residue) # Last residue write_residue(fout, current_residue["lines"]) # Write final TER statement @@ -498,8 +505,6 @@ def check_combination_chains(combination: list[PDBFile]) -> list[str]: chainsegs = sorted(list(set(segids) | set(chains))) # check if any of chainsegs is already in chainid_list if any(chainseg in chainid_list for chainseg in chainsegs): - raise ValueError( - f"Chain/seg IDs are not unique for pdbs {combination}." - ) + raise ValueError(f"Chain/seg IDs are not unique for pdbs {combination}.") chainid_list.extend(chainsegs) return chainid_list From 4165f2b07c6957af844353da4f8fd67f5340a58f Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Thu, 23 Oct 2025 13:23:44 +0200 Subject: [PATCH 027/101] linting --- tests/test_libpdb.py | 35 ++++++++++++++++++----------------- 1 file changed, 18 insertions(+), 17 deletions(-) diff --git a/tests/test_libpdb.py b/tests/test_libpdb.py index 18d5c13c8f..9a710db2ad 100644 --- a/tests/test_libpdb.py +++ b/tests/test_libpdb.py @@ -1,4 +1,5 @@ """Test lib PDB.""" + import pytest import tempfile @@ -11,22 +12,20 @@ check_combination_chains, read_chainids, read_segids, - ) +) chainC = [ - 'ATOM 3 CA ARG C 4 37.080 43.455 -3.421 1.00 0.00 C C ', # noqa: E501 - 'ATOM 3 CA GLU C 6 33.861 45.127 -2.233 1.00 0.00 C C ', # noqa: E501 - 'ATOM 3 CA ALA C 7 35.081 45.036 1.305 1.00 0.00 C C ', # noqa: E501 - ] + "ATOM 3 CA ARG C 4 37.080 43.455 -3.421 1.00 0.00 C C ", # noqa: E501 + "ATOM 3 CA GLU C 6 33.861 45.127 -2.233 1.00 0.00 C C ", # noqa: E501 + "ATOM 3 CA ALA C 7 35.081 45.036 1.305 1.00 0.00 C C ", # noqa: E501 +] @pytest.mark.parametrize( "lines,expected", - ( - (chainC, ["C", "C", "C"]), - ), - ) + ((chainC, ["C", "C", "C"]),), +) def test_read_chain_ids(lines, expected): result = read_chainids(lines) assert result == expected @@ -34,10 +33,8 @@ def test_read_chain_ids(lines, expected): @pytest.mark.parametrize( "lines,expected", - ( - (chainC, ["C", "C", "C"]), - ), - ) + ((chainC, ["C", "C", "C"]),), +) def test_read_seg_ids(lines, expected): result = read_segids(lines) assert result == expected @@ -50,18 +47,20 @@ def test_add_TER_on_chain_breaks(monkeypatch): add_TER_on_chain_breaks( Path(data_folder, "noTER.pdb"), output_fpath, - ) + ) # Make sure file was created assert output_fpath.exists() assert output_fpath.stat().st_size != 0 # Make sure the file resemble the reference one - with open(output_fpath, "r") as testfile, \ - open(Path(data_folder, "withTER.pdb")) as reffile: + with ( + open(output_fpath, "r") as testfile, + open(Path(data_folder, "withTER.pdb")) as reffile, + ): # Line by line comparisons for test_, ref_ in zip(testfile, reffile): assert test_.rstrip() == ref_.rstrip() - + @pytest.fixture(name="wrong_rigid_molecules") def fixture_wrong_rigidbody_molecules(): """fixture for wrong rigidbody input molecules.""" @@ -69,6 +68,7 @@ def fixture_wrong_rigidbody_molecules(): ligand = PDBFile(Path(golden_data, "protprot_complex_2.pdb")) return [receptor, ligand] + @pytest.fixture(name="good_rigid_molecules") def fixture_good_rigidbody_molecules(): """fixture for good rigidbody input molecules.""" @@ -76,6 +76,7 @@ def fixture_good_rigidbody_molecules(): ligand = PDBFile(Path(golden_data, "hpr_ensemble_1_haddock.pdb")) return [receptor, ligand] + def test_check_combination_chains(good_rigid_molecules, wrong_rigid_molecules): """Test check_combination_chains.""" exp_chains = ["A", "B"] From cf849eab67a7489c4df16a3308924354d40f5132 Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Thu, 23 Oct 2025 13:39:43 +0200 Subject: [PATCH 028/101] add sanitize tests --- tests/test_libpdb.py | 65 ++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 65 insertions(+) diff --git a/tests/test_libpdb.py b/tests/test_libpdb.py index 9a710db2ad..47e8776835 100644 --- a/tests/test_libpdb.py +++ b/tests/test_libpdb.py @@ -1,5 +1,6 @@ """Test lib PDB.""" +import shutil import pytest import tempfile @@ -12,6 +13,7 @@ check_combination_chains, read_chainids, read_segids, + sanitize, ) @@ -77,6 +79,24 @@ def fixture_good_rigidbody_molecules(): return [receptor, ligand] +@pytest.fixture +def protlig_complex_pdb(): + src = Path(golden_data, "protlig_complex_1.pdb") + with tempfile.TemporaryDirectory() as tmpdir: + dst = Path(tmpdir, "protlig_complex_1.pdb") + shutil.copy(src, dst) + yield dst + + +@pytest.fixture +def ligand_topology_file(): + src = Path(golden_data, "ligand.top") + with tempfile.TemporaryDirectory() as tmpdir: + dst = Path(tmpdir, "ligand.top") + shutil.copy(src, dst) + yield dst + + def test_check_combination_chains(good_rigid_molecules, wrong_rigid_molecules): """Test check_combination_chains.""" exp_chains = ["A", "B"] @@ -85,3 +105,48 @@ def test_check_combination_chains(good_rigid_molecules, wrong_rigid_molecules): # when input molecules share chains there should be a ValueError with pytest.raises(ValueError): check_combination_chains(wrong_rigid_molecules) + + +def test_sanitize(protlig_complex_pdb, monkeypatch): + + monkeypatch.chdir(protlig_complex_pdb.parent) + + output = sanitize( + pdb_file_path=protlig_complex_pdb, overwrite=False, custom_topology=None + ) + + assert len(output.read_text()) == 476608 + + +def test_sanitize_with_custom_topology( + protlig_complex_pdb, ligand_topology_file, monkeypatch +): + monkeypatch.chdir(protlig_complex_pdb.parent) + + output = sanitize( + pdb_file_path=protlig_complex_pdb, + overwrite=False, + custom_topology=ligand_topology_file, + ) + + assert len(output.read_text()) == 478552 + + +def test_sanitize_not_changing_global( + protlig_complex_pdb, ligand_topology_file, monkeypatch +): + monkeypatch.chdir(protlig_complex_pdb.parent) + + from haddock.libs.libpdb import _to_keep + + initial_global_to_keep = len(_to_keep) + + _ = sanitize( + pdb_file_path=protlig_complex_pdb, + overwrite=False, + custom_topology=ligand_topology_file, + ) + + current_global_to_keep = len(_to_keep) + + assert current_global_to_keep == initial_global_to_keep From 59876c4e1cd127cc6c7bd9baf0ee30f7e725f7e9 Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Thu, 23 Oct 2025 13:39:48 +0200 Subject: [PATCH 029/101] add `ligand.top` --- tests/golden_data/ligand.top | 161 +++++++++++++++++++++++++++++++++++ 1 file changed, 161 insertions(+) create mode 100644 tests/golden_data/ligand.top diff --git a/tests/golden_data/ligand.top b/tests/golden_data/ligand.top new file mode 100644 index 0000000000..9f58ce52d0 --- /dev/null +++ b/tests/golden_data/ligand.top @@ -0,0 +1,161 @@ +! Put in this file your ligand topology if needed +! +! +! This file was generated by PRODRG version 070118.0614 +! PRODRG written/copyrighted by Daan van Aalten +! and Alexander Schuettelkopf +! +! Questions/comments to dava@davapc1.bioch.dundee.ac.uk +! +! When using this software in a publication, cite: +! A. W. Schuettelkopf and D. M. F. van Aalten (2004). +! PRODRG - a tool for high-throughput crystallography +! of protein-ligand complexes. +! Acta Crystallogr. D60, 1355--1363. +! +! +! *** NOTE *** IF YOU USE MORE THAN ONE PRODRG-GENERATED TOPOLOGY IN CNS, +! PLEASE CAREFULLY READ THE FAQ AS THIS MAY CAUSE PROBLEMS +! +! +set echo=false end +AUTOGENERATE ANGLES=FALSE END +MASS CA82 15.0350 ! equivalent to CH3 +MASS CA81 14.0270 ! equivalent to CH2 +MASS CA8 13.0190 ! equivalent to CS1 +MASS CA9 14.0270 ! equivalent to CH2 +MASS CA91 15.0350 ! equivalent to CH3 +MASS OA7 15.9994 ! equivalent to OS +MASS CA6 13.0190 ! equivalent to CS1 +MASS CA7 13.0190 ! equivalent to CR61 +MASS CA2 12.0110 ! equivalent to CB +MASS CA1 12.0110 ! equivalent to C +MASS OA1B 15.9994 ! equivalent to OM +MASS OA1A 15.9994 ! equivalent to OM +MASS CA3 14.0270 ! equivalent to CH2 +MASS CA4 13.0190 ! equivalent to CH1 +MASS NA4 14.0067 ! equivalent to NL +MASS HAAB 1.0080 ! equivalent to H +MASS HAAC 1.0080 ! equivalent to H +MASS HAAA 1.0080 ! equivalent to H +MASS CA5 13.0190 ! equivalent to CH1 +MASS NA5 14.0067 ! equivalent to N +MASS HAAD 1.0080 ! equivalent to H +MASS CA10 12.0110 ! equivalent to C +MASS CA11 15.0350 ! equivalent to CH3 +MASS OA10 15.9994 ! equivalent to O + +Residue G39 +GROUP + ATOM C82 TYPE= CA82 CHARGE= 0.024 END + ATOM C81 TYPE= CA81 CHARGE= 0.062 END + ATOM C8 TYPE= CA8 CHARGE= 0.211 END + ATOM C9 TYPE= CA9 CHARGE= 0.061 END + ATOM C91 TYPE= CA91 CHARGE= 0.024 END + ATOM O7 TYPE= OA7 CHARGE=-0.182 END + ATOM C6 TYPE= CA6 CHARGE= 0.211 END + ATOM C7 TYPE= CA7 CHARGE=-0.008 END + ATOM C2 TYPE= CA2 CHARGE=-0.022 END + ATOM C1 TYPE= CA1 CHARGE= 0.361 END + ATOM O1B TYPE= OA1B CHARGE=-0.756 END + ATOM O1A TYPE= OA1A CHARGE=-0.756 END + ATOM C3 TYPE= CA3 CHARGE= 0.062 END + ATOM C4 TYPE= CA4 CHARGE= 0.124 END + ATOM N4 TYPE= NA4 CHARGE= 0.646 END + ATOM HAB TYPE= HAAB CHARGE= 0.000 END + ATOM HAC TYPE= HAAC CHARGE= 0.001 END + ATOM HAA TYPE= HAAA CHARGE= 0.000 END + ATOM C5 TYPE= CA5 CHARGE= 0.124 END + ATOM N5 TYPE= NA5 CHARGE= 0.132 END + ATOM H07 TYPE= HAAD CHARGE= 0.000 END + ATOM C10 TYPE= CA10 CHARGE= 0.361 END + ATOM C11 TYPE= CA11 CHARGE= 0.024 END + ATOM O10 TYPE= OA10 CHARGE=-0.704 END + + BOND C82 C81 + BOND C81 C8 + BOND C8 C9 + BOND C8 O7 + BOND C9 C91 + BOND O7 C6 + BOND C6 C7 + BOND C6 C5 + BOND C7 C2 + BOND C2 C1 + BOND C2 C3 + BOND C1 O1B + BOND C1 O1A + BOND C3 C4 + BOND C4 N4 + BOND C4 C5 + BOND N4 HAB + BOND N4 HAC + BOND N4 HAA + BOND C5 N5 + BOND N5 H07 + BOND N5 C10 + BOND C10 C11 + BOND C10 O10 + + ANGLE C82 C81 C8 + ANGLE C81 C8 C9 + ANGLE C81 C8 O7 + ANGLE C9 C8 O7 + ANGLE C8 C9 C91 + ANGLE C8 O7 C6 + ANGLE O7 C6 C7 + ANGLE O7 C6 C5 + ANGLE C7 C6 C5 + ANGLE C6 C7 C2 + ANGLE C7 C2 C1 + ANGLE C7 C2 C3 + ANGLE C1 C2 C3 + ANGLE C2 C1 O1B + ANGLE C2 C1 O1A + ANGLE O1B C1 O1A + ANGLE C2 C3 C4 + ANGLE C3 C4 N4 + ANGLE C3 C4 C5 + ANGLE N4 C4 C5 + ANGLE C4 N4 HAB + ANGLE C4 N4 HAC + ANGLE C4 N4 HAA + ANGLE HAB N4 HAC + ANGLE HAB N4 HAA + ANGLE HAC N4 HAA + ANGLE C6 C5 C4 + ANGLE C6 C5 N5 + ANGLE C4 C5 N5 + ANGLE C5 N5 H07 + ANGLE C5 N5 C10 + ANGLE H07 N5 C10 + ANGLE N5 C10 C11 + ANGLE N5 C10 O10 + ANGLE C11 C10 O10 + + IMPROPER C2 C7 C3 C1 + IMPROPER C1 C2 O1A O1B + IMPROPER N5 C5 H07 C10 + IMPROPER C10 N5 C11 O10 + IMPROPER C8 C81 C9 O7 + IMPROPER C6 O7 C7 C5 + IMPROPER C4 C3 N4 C5 + IMPROPER N4 C4 HAC HAB + IMPROPER C5 C6 N5 C4 + + DIHEDRAL O7 C8 C81 C82 + DIHEDRAL C81 C8 C9 C91 + DIHEDRAL C81 C8 O7 C6 + DIHEDRAL C5 C6 O7 C8 + DIHEDRAL O7 C6 C7 C2 + DIHEDRAL O7 C6 C5 N5 + DIHEDRAL C3 C2 C7 C6 + DIHEDRAL C7 C2 C1 O1A + DIHEDRAL C7 C2 C3 C4 + DIHEDRAL C2 C3 C4 C5 + DIHEDRAL C3 C4 N4 HAA + DIHEDRAL N5 C5 C4 C3 + DIHEDRAL C6 C5 N5 C10 + DIHEDRAL O10 C10 N5 C5 +END +set echo=true end From 5a72f135eedc12f20c446f7819232e214044885e Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Thu, 23 Oct 2025 13:42:55 +0200 Subject: [PATCH 030/101] refactor global extension --- src/haddock/libs/libpdb.py | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/src/haddock/libs/libpdb.py b/src/haddock/libs/libpdb.py index ee4592e627..0401f6efeb 100644 --- a/src/haddock/libs/libpdb.py +++ b/src/haddock/libs/libpdb.py @@ -169,9 +169,10 @@ def sanitize( custom_topology: Optional[FilePath] = None, ) -> Union[FilePathT, Path]: """Sanitize a PDB file.""" + to_keep = _to_keep.copy() if custom_topology: custom_res_to_keep = get_supported_residues(custom_topology) - _to_keep.extend(custom_res_to_keep) + to_keep.extend(custom_res_to_keep) good_lines: list[str] = [] with open(pdb_file_path) as input_handler: @@ -183,7 +184,7 @@ def sanitize( line = line.replace(tag, new_tag) # check if this residue is known res = line[17:20].strip() - if res and res in _to_keep: + if res and res in to_keep: good_lines.append(line) # Terminate file with an END statement if len(good_lines) > 0 and good_lines[-1] != "END": From 2e934beed4deb69a5a4e6d9c58991e7a1f2adf22 Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Thu, 23 Oct 2025 14:14:46 +0200 Subject: [PATCH 031/101] fix test coverage report --- .github/workflows/ci.yml | 10 ++++------ pyproject.toml | 8 ++++++++ 2 files changed, 12 insertions(+), 6 deletions(-) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 12b5ce971a..120b5b936c 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -45,15 +45,13 @@ jobs: - name: run unit tests run: >- - pytest --random-order tests/ - --cov --cov-report=term-missing --cov-append - --hypothesis-show-statistics + pytest -v --random-order tests/ + --cov --cov-append - name: run integration tests run: >- - pytest --random-order integration_tests/ - --cov --cov-report=term-missing --cov-append - --hypothesis-show-statistics + pytest -v --random-order integration_tests/ + --cov --cov-append - name: generate coverage report run: | diff --git a/pyproject.toml b/pyproject.toml index 1bf9c2158e..f8dbeb73b7 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -96,6 +96,14 @@ haddock3-re = "haddock.clis.cli_re:maincli" haddock3-restraints = "haddock.clis.cli_restraints:maincli" haddock-restraints = "haddock.clis.wrapper_haddock_restraints:main" +[tool.coverage.run] +source = ["haddock"] +omit = [ + "tests/*", + "integration_tests/*", + "examples/*", +] + [tool.setuptools] packages = ["haddock"] package-dir = { "" = "src" } From 9b8a5fe9538e37d56984954f62237661709b6be5 Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Thu, 23 Oct 2025 14:30:34 +0200 Subject: [PATCH 032/101] optimize ci.yml --- .github/workflows/ci.yml | 30 ++++++++++++++++++++++-------- 1 file changed, 22 insertions(+), 8 deletions(-) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 120b5b936c..3973db6fc2 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -46,25 +46,24 @@ jobs: - name: run unit tests run: >- pytest -v --random-order tests/ - --cov --cov-append + --cov --cov-append --cov-report= - name: run integration tests run: >- pytest -v --random-order integration_tests/ - --cov --cov-append + --cov --cov-append --cov-report= - name: generate coverage report run: | coverage report coverage xml - - uses: codacy/codacy-coverage-reporter-action@v1 - if: >- - ${{ github.event_name != 'pull_request' || - github.event.pull_request.head.repo.full_name == github.repository }} + - name: upload coverage artifact + uses: actions/upload-artifact@v4 + if: matrix.python-version == '3.14' with: - project-token: ${{ secrets.CODACY_PROJECT_TOKEN }} - coverage-reports: ./coverage.xml + name: coverage-report + path: coverage.xml - name: check if docs are buildable continue-on-error: true @@ -72,6 +71,21 @@ jobs: sphinx-apidoc -f -e -o docs/ src/haddock -d 1 sphinx-build docs haddock3-docs + coverage-upload: + needs: tests + runs-on: ubuntu-latest + if: >- + ${{ github.event_name != 'pull_request' || + github.event.pull_request.head.repo.full_name == github.repository }} + steps: + - uses: actions/download-artifact@v4 + with: + name: coverage-report + - uses: codacy/codacy-coverage-reporter-action@v1 + with: + project-token: ${{ secrets.CODACY_PROJECT_TOKEN }} + coverage-reports: ./coverage.xml + dev: runs-on: ubuntu-latest permissions: From d3f5c684253aaa59f0fd657104fdcf56feee8ea3 Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Thu, 23 Oct 2025 14:31:55 +0200 Subject: [PATCH 033/101] typo --- .github/workflows/ci.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 3973db6fc2..a9170d0e15 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -72,7 +72,7 @@ jobs: sphinx-build docs haddock3-docs coverage-upload: - needs: tests + needs: ci runs-on: ubuntu-latest if: >- ${{ github.event_name != 'pull_request' || From 662a0eb9f86a2dc6bf4e93d141168f51a2ce5005 Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Thu, 23 Oct 2025 15:27:17 +0200 Subject: [PATCH 034/101] review comments --- src/haddock/libs/libpdb.py | 15 +++++---------- 1 file changed, 5 insertions(+), 10 deletions(-) diff --git a/src/haddock/libs/libpdb.py b/src/haddock/libs/libpdb.py index 0401f6efeb..1bc56bf6b3 100644 --- a/src/haddock/libs/libpdb.py +++ b/src/haddock/libs/libpdb.py @@ -1,6 +1,7 @@ """Parse molecular structures in PDB format.""" import os +from copy import deepcopy from functools import partial from pathlib import Path @@ -20,10 +21,9 @@ TypeVar, Union, ) -from haddock.libs.libio import working_directory, PDBFile +from haddock.libs.libio import PDBFile, working_directory from haddock.libs.libutil import get_result_or_same_in_list, sort_numbered_paths - slc_record = slice(0, 6) slc_serial = slice(6, 11) slc_name = slice(12, 16) @@ -169,7 +169,7 @@ def sanitize( custom_topology: Optional[FilePath] = None, ) -> Union[FilePathT, Path]: """Sanitize a PDB file.""" - to_keep = _to_keep.copy() + to_keep = deepcopy(_to_keep) if custom_topology: custom_res_to_keep = get_supported_residues(custom_topology) to_keep.extend(custom_res_to_keep) @@ -305,9 +305,7 @@ def read_RECORD_section( return chainids -read_chainids = partial( - read_RECORD_section, section_slice=slc_chainid, func=list -) # noqa: E501 +read_chainids = partial(read_RECORD_section, section_slice=slc_chainid, func=list) read_segids = partial(read_RECORD_section, section_slice=slc_segid, func=list) @@ -442,10 +440,7 @@ def write_previous_residue( "O3'", "O5'", # for DNA/RNA ) - current_resid: tuple[str, str] = ( - "-", - "-", - ) + current_resid: tuple[str, str] = ("-", "-") previous_residue: residueT = {"lines": []} current_residue: residueT = {"lines": []} # Read input file From a887b4c8f83cfbeb8fa3528a9e2c52e6db609729 Mon Sep 17 00:00:00 2001 From: Victor Reys <132575181+VGPReys@users.noreply.github.com> Date: Mon, 27 Oct 2025 14:16:32 +0100 Subject: [PATCH 035/101] Update src/haddock/modules/scoring/__init__.py Fix from reviews --- src/haddock/modules/scoring/__init__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/haddock/modules/scoring/__init__.py b/src/haddock/modules/scoring/__init__.py index 20d0d0d0a7..ec1d058c01 100644 --- a/src/haddock/modules/scoring/__init__.py +++ b/src/haddock/modules/scoring/__init__.py @@ -248,7 +248,7 @@ def compute_interfaces_score( reverse_interface = f"{split_inter[1]}_{split_inter[0]}" if reverse_interface in interface_energies.keys(): interface_score = interface_energies[reverse_interface]["HADDOCKscore"] - selected_interfaces_scores.append(interface_score) + selected_interfaces_scores.append(interface_score) # Sum all desired interfaces scores if len(selected_interfaces_scores) > 1: new_score = sum(selected_interfaces_scores) From 9d0405b1d48f74c52df1925456e85d92e4767abd Mon Sep 17 00:00:00 2001 From: VGPReys Date: Mon, 27 Oct 2025 16:18:48 +0100 Subject: [PATCH 036/101] overcome impossible parameter combinations to ease their use --- src/haddock/modules/scoring/__init__.py | 36 +++++++++++++++---- .../modules/scoring/emscoring/__init__.py | 2 +- .../modules/scoring/mdscoring/__init__.py | 2 +- 3 files changed, 31 insertions(+), 9 deletions(-) diff --git a/src/haddock/modules/scoring/__init__.py b/src/haddock/modules/scoring/__init__.py index ec1d058c01..5c673490d3 100644 --- a/src/haddock/modules/scoring/__init__.py +++ b/src/haddock/modules/scoring/__init__.py @@ -64,13 +64,15 @@ def per_interface_output( ---------- output_fname : FilePath Path to the file where to write scoring data. + models : list[HaddockModel] + List of HaddockModel object obtained by loading the PDB files. sep : str, optional Character used as separator in file, by default "\t" ascending_sort : bool, optional Should the data be sorted in ascending order, by default True """ # Skip the analysis if not desired by the user - if not self.params["per_interface_scoring"]: + if not self.per_interface_scoring: return # Retrieve all interfaces data for all pdb @@ -138,6 +140,18 @@ def per_interface_output( ) return + def extract_interface_combinations(self) -> list[str]: + # Here we pop the parameter as not supported by CNS and only used + # at the python level for downstream analysis + interface_combinations = self.params.pop("interface_combinations") + # Set the per_interface_scoring parameter value as set by the user + self.per_interface_scoring = self.params["per_interface_scoring"] + # Check if the parameter is used + if interface_combinations != []: + # NOTE: per_interface_scoring must be set to true for the interface + # scores to be present as REMARKS in the header of the PDB file. + self.params["per_interface_scoring"] = True + def update_pdb_scores( self, interface_combinations: list[str], @@ -177,10 +191,18 @@ def update_pdb_scores( pdb.unw_energies = haddock_model.energies # Compute set of interfaces if some are defined if len(desired_interfaces) >= 1: - haddock_score = self.compute_interfaces_score( - haddock_model.interface_energies, - desired_interfaces, - ) + try: + score = self.compute_interfaces_score( + haddock_model.interface_energies, + desired_interfaces, + ) + # In case the output is None, fall back to standard + # haddock score that will always be ok to compute + except TypeError: + # Compute the haddock score + score = haddock_model.calc_haddock_score(**weights) + finally: + haddock_score = score # Otherwise simply compute the standard haddock score else: # Compute the haddock score @@ -234,7 +256,7 @@ def compute_interfaces_score( """ # Minimum set of interfaces must be >= 1 if len(interface_sets_combinations) < 1: - return None + raise ValueError # Get all desired interfaces scores selected_interfaces_scores: list[float] = [] @@ -253,5 +275,5 @@ def compute_interfaces_score( if len(selected_interfaces_scores) > 1: new_score = sum(selected_interfaces_scores) else: - new_score = None + raise ValueError return new_score diff --git a/src/haddock/modules/scoring/emscoring/__init__.py b/src/haddock/modules/scoring/emscoring/__init__.py index 3dbf2bcea0..30eb9728aa 100644 --- a/src/haddock/modules/scoring/emscoring/__init__.py +++ b/src/haddock/modules/scoring/emscoring/__init__.py @@ -48,7 +48,7 @@ def _run(self) -> None: # Here we pop the parameter as not supported by CNS and only used # at the python level for downstream analysis - interface_combinations = self.params.pop("interface_combinations") + interface_combinations = self.extract_interface_combinations() # Itereate over models to prepare CNS inputs self.output_models = [] diff --git a/src/haddock/modules/scoring/mdscoring/__init__.py b/src/haddock/modules/scoring/mdscoring/__init__.py index 396b771e8f..f992c34611 100644 --- a/src/haddock/modules/scoring/mdscoring/__init__.py +++ b/src/haddock/modules/scoring/mdscoring/__init__.py @@ -48,7 +48,7 @@ def _run(self) -> None: # Here we pop the parameter as not supported by CNS and only used # at the python level for downstream analysis - interface_combinations = self.params.pop("interface_combinations") + interface_combinations = self.extract_interface_combinations() # Prepare all CNS runs self.output_models = [] From 4fb7e21fe7ac408f797da8aa8bdf479de97a4b88 Mon Sep 17 00:00:00 2001 From: VGPReys Date: Mon, 27 Oct 2025 16:42:43 +0100 Subject: [PATCH 037/101] fix return --- src/haddock/modules/scoring/__init__.py | 1 + 1 file changed, 1 insertion(+) diff --git a/src/haddock/modules/scoring/__init__.py b/src/haddock/modules/scoring/__init__.py index 5c673490d3..3a39aa90a7 100644 --- a/src/haddock/modules/scoring/__init__.py +++ b/src/haddock/modules/scoring/__init__.py @@ -151,6 +151,7 @@ def extract_interface_combinations(self) -> list[str]: # NOTE: per_interface_scoring must be set to true for the interface # scores to be present as REMARKS in the header of the PDB file. self.params["per_interface_scoring"] = True + return interface_combinations def update_pdb_scores( self, From be18fc44c0804a8bec36b32911165275091f90c1 Mon Sep 17 00:00:00 2001 From: VGPReys Date: Tue, 28 Oct 2025 12:49:33 +0100 Subject: [PATCH 038/101] fix excepted error type --- src/haddock/modules/scoring/__init__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/haddock/modules/scoring/__init__.py b/src/haddock/modules/scoring/__init__.py index 3a39aa90a7..c03e0b5155 100644 --- a/src/haddock/modules/scoring/__init__.py +++ b/src/haddock/modules/scoring/__init__.py @@ -199,7 +199,7 @@ def update_pdb_scores( ) # In case the output is None, fall back to standard # haddock score that will always be ok to compute - except TypeError: + except ValueError: # Compute the haddock score score = haddock_model.calc_haddock_score(**weights) finally: From 57fedb9a97fbe9af0bfb614780e36c346e57287a Mon Sep 17 00:00:00 2001 From: VGPReys Date: Tue, 28 Oct 2025 20:56:27 +0100 Subject: [PATCH 039/101] adding test for reversed chain combinations --- integration_tests/test_emscoring.py | 16 ++++++++++++++++ integration_tests/test_mdscoring.py | 7 +++++++ src/haddock/modules/scoring/__init__.py | 4 ++-- 3 files changed, 25 insertions(+), 2 deletions(-) diff --git a/integration_tests/test_emscoring.py b/integration_tests/test_emscoring.py index 60a087c9fc..843220e9b9 100644 --- a/integration_tests/test_emscoring.py +++ b/integration_tests/test_emscoring.py @@ -142,3 +142,19 @@ def test_emscoring_3chains(emscoring_module): # Ensure the score are different assert df_all["score"].tolist() != df_combi["score"].tolist() + + # Set chain combination parameter + emscoring_module.params["interface_combinations"] = ["H,B", "L,B"] + emscoring_module.run() + + expected_pdb2 = Path(emscoring_module.path, "emscoring_1.pdb") + expected_csv_combi_revert = Path(emscoring_module.path, "emscoring.tsv") + + assert expected_pdb2.exists(), f"{expected_pdb2} does not exist" + assert expected_csv_combi_revert.exists(), f"{expected_csv_combi_revert} does not exist" + df_combi_revert = pd.read_csv(expected_csv_combi_revert, sep="\t", comment="#") + + # Ensure the score are the same + combi_score = df_combi_revert["score"].tolist()[0] + revert_score = df_combi["score"].tolist()[0] + assert revert_score == pytest.approx(combi_score, abs=1) diff --git a/integration_tests/test_mdscoring.py b/integration_tests/test_mdscoring.py index 7116b949e7..02a5533e25 100644 --- a/integration_tests/test_mdscoring.py +++ b/integration_tests/test_mdscoring.py @@ -126,6 +126,11 @@ def test_mdscoring_default(mdscoring_module, calc_fnat): def test_mdscoring_3chains(mdscoring_module): """Test the mdscoring module with interface selection.""" mdscoring_module.previous_io = MockPreviousIO_3chains(path=mdscoring_module.path) + # Reduces the number of md steps to fasten the tests + mdscoring_module.params["nemsteps"] = 20 + mdscoring_module.params["waterheatsteps"] = 10 + mdscoring_module.params["watersteps"] = 10 + mdscoring_module.params["watercoolsteps"] = 10 mdscoring_module.run() expected_pdb1 = Path(mdscoring_module.path, "mdscoring_1.pdb") @@ -147,6 +152,7 @@ def test_mdscoring_3chains(mdscoring_module): expected_pdb1 = Path(mdscoring_module.path, "mdscoring_1.pdb") expected_csv_combi = Path(mdscoring_module.path, "mdscoring.tsv") + print([_ for _ in expected_pdb1.read_text().split("\n") if "REMARK" in _]) assert expected_pdb1.exists(), f"{expected_pdb1} does not exist" assert expected_csv_combi.exists(), f"{expected_csv_combi} does not exist" @@ -154,3 +160,4 @@ def test_mdscoring_3chains(mdscoring_module): # Ensure the score are different assert df_all["score"].tolist() != df_combi["score"].tolist() + diff --git a/src/haddock/modules/scoring/__init__.py b/src/haddock/modules/scoring/__init__.py index c03e0b5155..9899ede02a 100644 --- a/src/haddock/modules/scoring/__init__.py +++ b/src/haddock/modules/scoring/__init__.py @@ -257,7 +257,7 @@ def compute_interfaces_score( """ # Minimum set of interfaces must be >= 1 if len(interface_sets_combinations) < 1: - raise ValueError + raise ValueError("No input interfaces") # Get all desired interfaces scores selected_interfaces_scores: list[float] = [] @@ -276,5 +276,5 @@ def compute_interfaces_score( if len(selected_interfaces_scores) > 1: new_score = sum(selected_interfaces_scores) else: - raise ValueError + raise ValueError("Selected interface not found") return new_score From a3565cb4556fe3fd93100e35829660ad9f88956e Mon Sep 17 00:00:00 2001 From: VGPReys Date: Wed, 29 Oct 2025 11:59:59 +0100 Subject: [PATCH 040/101] fix condition --- src/haddock/modules/scoring/__init__.py | 22 +++++++++++++++++----- 1 file changed, 17 insertions(+), 5 deletions(-) diff --git a/src/haddock/modules/scoring/__init__.py b/src/haddock/modules/scoring/__init__.py index 9899ede02a..1983ce36f5 100644 --- a/src/haddock/modules/scoring/__init__.py +++ b/src/haddock/modules/scoring/__init__.py @@ -156,7 +156,7 @@ def extract_interface_combinations(self) -> list[str]: def update_pdb_scores( self, interface_combinations: list[str], - ) -> list[HaddockModel]: + ) -> tuple[list[HaddockModel], dict[str, list[str]]]: """Update the score attributes in the output pdb files. Parameters @@ -182,6 +182,7 @@ def update_pdb_scores( _weight_keys = ("w_vdw", "w_elec", "w_desolv", "w_air", "w_bsa") weights = {e: self.params[e] for e in _weight_keys} + interface_errors: dict[str, list[str]] = {} # Check for generated output, fail it not all expected files are found output_haddock_models: list[HaddockModel] = [] for pdb in self.output_models: @@ -199,8 +200,13 @@ def update_pdb_scores( ) # In case the output is None, fall back to standard # haddock score that will always be ok to compute - except ValueError: - # Compute the haddock score + except ValueError as interface_error: + # Hold that specific error + error_msg = str(interface_error) + if error_msg not in interface_errors.keys(): + interface_errors[error_msg] = [] + interface_errors[error_msg].append(pdb.file_name) + # Compute the haddock score instead score = haddock_model.calc_haddock_score(**weights) finally: haddock_score = score @@ -211,6 +217,12 @@ def update_pdb_scores( # Set the score attribute pdb.score = haddock_score output_haddock_models.append(haddock_model) + # Log errors + for error_msg, models in interface_errors.items(): + self.log( + f"Interface error: '{error_msg}' occured {len(models)} times." + " Falling back on classic HADDOCKscore." + ) return output_haddock_models @staticmethod @@ -256,7 +268,7 @@ def compute_interfaces_score( List of interface combinations to consider """ # Minimum set of interfaces must be >= 1 - if len(interface_sets_combinations) < 1: + if len(interface_sets_combinations) == 0: raise ValueError("No input interfaces") # Get all desired interfaces scores @@ -273,7 +285,7 @@ def compute_interfaces_score( interface_score = interface_energies[reverse_interface]["HADDOCKscore"] selected_interfaces_scores.append(interface_score) # Sum all desired interfaces scores - if len(selected_interfaces_scores) > 1: + if len(selected_interfaces_scores) >= 1: new_score = sum(selected_interfaces_scores) else: raise ValueError("Selected interface not found") From 463d864c7c2fdcb81612d4550552f5507af34319 Mon Sep 17 00:00:00 2001 From: VGPReys Date: Wed, 29 Oct 2025 12:00:23 +0100 Subject: [PATCH 041/101] remove import --- src/haddock/modules/scoring/emscoring/__init__.py | 1 - 1 file changed, 1 deletion(-) diff --git a/src/haddock/modules/scoring/emscoring/__init__.py b/src/haddock/modules/scoring/emscoring/__init__.py index 30eb9728aa..7f2b4a7bf0 100644 --- a/src/haddock/modules/scoring/emscoring/__init__.py +++ b/src/haddock/modules/scoring/emscoring/__init__.py @@ -8,7 +8,6 @@ from haddock.core.defaults import MODULE_DEFAULT_YAML from haddock.core.typing import FilePath -from haddock.gear.haddockmodel import HaddockModel from haddock.libs.libcns import prepare_cns_input, prepare_expected_pdb from haddock.libs.libontology import PDBFile from haddock.libs.libsubprocess import CNSJob From 440d62865e6e8e7691fa1039e4e8ac4eb8766bad Mon Sep 17 00:00:00 2001 From: VGPReys Date: Wed, 29 Oct 2025 12:06:31 +0100 Subject: [PATCH 042/101] add docstring --- src/haddock/modules/scoring/__init__.py | 15 ++++++++++++++- 1 file changed, 14 insertions(+), 1 deletion(-) diff --git a/src/haddock/modules/scoring/__init__.py b/src/haddock/modules/scoring/__init__.py index 1983ce36f5..478d1e9088 100644 --- a/src/haddock/modules/scoring/__init__.py +++ b/src/haddock/modules/scoring/__init__.py @@ -141,6 +141,19 @@ def per_interface_output( return def extract_interface_combinations(self) -> list[str]: + """Read interface specific parameters. + + Removes the `interface_combinations` from the parameters as not + supported by CNS. + Sets the `per_interface_scoring` to True if `interface_combinations` + is not empty, as it is required for the interface-scores to be + present in the PDB file. + + Returns + ------- + interface_combinations : list[str] + List of user-defined combinations. + """ # Here we pop the parameter as not supported by CNS and only used # at the python level for downstream analysis interface_combinations = self.params.pop("interface_combinations") @@ -149,7 +162,7 @@ def extract_interface_combinations(self) -> list[str]: # Check if the parameter is used if interface_combinations != []: # NOTE: per_interface_scoring must be set to true for the interface - # scores to be present as REMARKS in the header of the PDB file. + # scores to be present as REMARK in the header of the PDB file. self.params["per_interface_scoring"] = True return interface_combinations From 8e2b333f44e928c7af124139e6166c9609056e5f Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Fri, 31 Oct 2025 11:02:54 +0100 Subject: [PATCH 043/101] update coverage upload --- .github/workflows/ci.yml | 25 ++++--------------------- 1 file changed, 4 insertions(+), 21 deletions(-) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index a9170d0e15..21657abcc8 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -46,24 +46,22 @@ jobs: - name: run unit tests run: >- pytest -v --random-order tests/ - --cov --cov-append --cov-report= + --cov --cov-report= - name: run integration tests run: >- pytest -v --random-order integration_tests/ - --cov --cov-append --cov-report= - name: generate coverage report run: | coverage report coverage xml - - name: upload coverage artifact - uses: actions/upload-artifact@v4 + - uses: codacy/codacy-coverage-reporter-action@v1 if: matrix.python-version == '3.14' with: - name: coverage-report - path: coverage.xml + project-token: ${{ secrets.CODACY_PROJECT_TOKEN }} + coverage-reports: ./coverage.xml - name: check if docs are buildable continue-on-error: true @@ -71,21 +69,6 @@ jobs: sphinx-apidoc -f -e -o docs/ src/haddock -d 1 sphinx-build docs haddock3-docs - coverage-upload: - needs: ci - runs-on: ubuntu-latest - if: >- - ${{ github.event_name != 'pull_request' || - github.event.pull_request.head.repo.full_name == github.repository }} - steps: - - uses: actions/download-artifact@v4 - with: - name: coverage-report - - uses: codacy/codacy-coverage-reporter-action@v1 - with: - project-token: ${{ secrets.CODACY_PROJECT_TOKEN }} - coverage-reports: ./coverage.xml - dev: runs-on: ubuntu-latest permissions: From a46fbb0baea2dec3a86182164be2e00a69bac084 Mon Sep 17 00:00:00 2001 From: Rodrigo Vargas Honorato Date: Fri, 31 Oct 2025 11:57:11 +0100 Subject: [PATCH 044/101] update ci.yml --- .github/workflows/ci.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 21657abcc8..2e60a776a0 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -41,7 +41,7 @@ jobs: sudo apt-get install -y openmpi-bin libopenmpi3 libopenmpi-dev - name: install haddock3 with extra dependencies - run: pip install '.[mpi,dev,docs,notebooks]' + run: pip install -e '.[mpi,dev,docs,notebooks]' - name: run unit tests run: >- From f978648c9f5bb9d303df8744e47c37ef40fdbc1d Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Mon, 3 Nov 2025 12:04:48 +0100 Subject: [PATCH 045/101] update CNS download links --- setup.py | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/setup.py b/setup.py index 6c10f25710..916c11c383 100644 --- a/setup.py +++ b/setup.py @@ -16,10 +16,10 @@ from setuptools.command.install import install CNS_BINARIES = { - "x86_64-linux": "https://surfdrive.surf.nl/files/index.php/s/BWa5OimzbNliTi6/download", - "x86_64-darwin": "https://surfdrive.surf.nl/files/index.php/s/3Fzzte0Zx0L8GTY/download", - "arm64-darwin": "https://surfdrive.surf.nl/files/index.php/s/bYB3xPWf7iwo07X/download", - "aarch64-linux": "https://surfdrive.surf.nl/files/index.php/s/3rHpxcufHGrntHn/download", + "x86_64-linux": "https://surfdrive.surf.nl/public.php/dav/files/BWa5OimzbNliTi6", + "x86_64-darwin": "https://surfdrive.surf.nl/public.php/dav/files/3Fzzte0Zx0L8GTY", + "arm64-darwin": "https://surfdrive.surf.nl/public.php/dav/files/bYB3xPWf7iwo07X", + "aarch64-linux": "https://surfdrive.surf.nl/public.php/dav/files/3rHpxcufHGrntHn", } HADDOCK_RESTRAINTS_VERSION = "0.10.0" From 35ae4c83a66c9b7ae280847e3af314c59674589a Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Mon, 3 Nov 2025 12:11:28 +0100 Subject: [PATCH 046/101] improve error message --- setup.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.py b/setup.py index 916c11c383..f60ad271ac 100644 --- a/setup.py +++ b/setup.py @@ -169,7 +169,7 @@ def download_file(url, dest) -> tuple[bool, str]: urllib.request.urlretrieve(url, dest) return True, "Download successful" except Exception as e: # pylint: disable=broad-except - return False, f"Download failed: {e}" + return False, f"Download of {dest} failed: {e} URL: {url}" @staticmethod def get_arch(): From dce73c98dcb13e04c87ea56dcf18077207a0472d Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Mon, 3 Nov 2025 12:19:41 +0100 Subject: [PATCH 047/101] add retry logic --- setup.py | 27 +++++++++++++++++++++------ 1 file changed, 21 insertions(+), 6 deletions(-) diff --git a/setup.py b/setup.py index f60ad271ac..7cd6cb60b9 100644 --- a/setup.py +++ b/setup.py @@ -6,6 +6,8 @@ import subprocess import sys import tarfile +from urllib.error import HTTPError, URLError +import time import urllib.request from pathlib import Path from typing import cast @@ -163,13 +165,26 @@ def download_binaries(self): os.chmod(executable, 0o755) @staticmethod - def download_file(url, dest) -> tuple[bool, str]: + def download_file(url, dest, max_retries=3, delay=2) -> tuple[bool, str]: """Download a file from a URL""" - try: - urllib.request.urlretrieve(url, dest) - return True, "Download successful" - except Exception as e: # pylint: disable=broad-except - return False, f"Download of {dest} failed: {e} URL: {url}" + for attempt in range(max_retries): + try: + urllib.request.urlretrieve(url, dest) + return True, "Download successful" + except (URLError, HTTPError) as e: # pylint: disable=broad-except + if attempt < max_retries - 1: + time.sleep(delay) + continue + return ( + False, + f"Download of {dest} failed after {max_retries} attempts: {e} URL: {url}", + ) + except Exception as e: # pylint: disable=broad-except + return False, f"Download of {dest} failed: {e} URL: {url}" + return ( + False, + f"Download of {dest} failed after {max_retries} attempts URL: {url}", + ) @staticmethod def get_arch(): From 3d1bc89487da8daccca6027982f9b0f5cbf9c1dc Mon Sep 17 00:00:00 2001 From: Rodrigo Vargas Honorato Date: Mon, 3 Nov 2025 13:21:56 +0100 Subject: [PATCH 048/101] Bump version from 2025.9.0 to 2025.9.1 --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index f8dbeb73b7..77fa8f8a3e 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta" [project] name = "haddock3" -version = "2025.9.0" +version = "2025.9.1" description = "HADDOCK3" readme = "README.md" authors = [{ name = "BonvinLab", email = "bonvinlab.support@uu.nl" }] From 43f01f3b74b98c9c1bd43f0e41238406a2dcb27b Mon Sep 17 00:00:00 2001 From: Alexandre Bonvin Date: Mon, 3 Nov 2025 13:23:35 +0100 Subject: [PATCH 049/101] Update download link for tutorial data --- notebooks/HADDOCK3-antibody-antigen.ipynb | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/notebooks/HADDOCK3-antibody-antigen.ipynb b/notebooks/HADDOCK3-antibody-antigen.ipynb index d2e579849b..8e030a17c0 100644 --- a/notebooks/HADDOCK3-antibody-antigen.ipynb +++ b/notebooks/HADDOCK3-antibody-antigen.ipynb @@ -187,7 +187,7 @@ "source": [ "#@title 2. Download the tutorial data\n", "#@markdown We are providing pre-processed PDB files for docking and analysis (but the preprocessing of those files will also be explained in this tutorial). The files have been processed to facilitate their use in HADDOCK and to allow comparison with the known reference structure of the complex. Execute this cell to download and decompress the data.\n", - "!wget https://surfdrive.surf.nl/files/index.php/s/LdmwnxWFkI9l75p/download -O HADDOCK3-antibody-antigen-notebook.zip\n", + "!wget https://surfdrive.surf.nl/public.php/dav/files/LdmwnxWFkI9l75p -O HADDOCK3-antibody-antigen-notebook.zip\n", "!unzip -oq HADDOCK3-antibody-antigen-notebook.zip\n", "!rm HADDOCK3-antibody-antigen-notebook.zip\n", "import os\n", From 2cd4cb780008ffb52f07da5154e7664da2787f59 Mon Sep 17 00:00:00 2001 From: Alexandre Bonvin Date: Mon, 3 Nov 2025 13:49:49 +0100 Subject: [PATCH 050/101] Revise TPU runtime recommendation in tutorial Updated recommendation for TPU runtime type in Colab. --- notebooks/HADDOCK3-antibody-antigen.ipynb | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/notebooks/HADDOCK3-antibody-antigen.ipynb b/notebooks/HADDOCK3-antibody-antigen.ipynb index 8e030a17c0..fd10ec1b01 100644 --- a/notebooks/HADDOCK3-antibody-antigen.ipynb +++ b/notebooks/HADDOCK3-antibody-antigen.ipynb @@ -4,7 +4,6 @@ "metadata": { "colab": { "provenance": [], - "gpuType": "V28" }, "kernelspec": { "name": "python3", @@ -157,7 +156,7 @@ "\n", "In order to follow this tutorial we will start Jupyter session in Colab or other resources, install haddock3 and download the data for the tutorial.\n", "\n", - "To run this tutorial on Colab we recommand changing the runtime type to v2-8 TPU, which will give you access to up to 96 cores. The haddock3 docking run described in this tutorial should complete in about 15 minutes.\n", + "To run this tutorial on Colab we recommand changing the runtime type to use one of the TPU option, which will give you access to more cores. The haddock3 docking run described in this tutorial should complete in about 15 minutes.\n", "\n", "For this follow the following steps:" ], From 6c1fc0fef7786f8b2906a39028d68f7b5c7b432d Mon Sep 17 00:00:00 2001 From: Rodrigo Vargas Honorato Date: Mon, 3 Nov 2025 13:50:05 +0100 Subject: [PATCH 051/101] Increase max retries and delay in download_file --- setup.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.py b/setup.py index 7cd6cb60b9..3e19278966 100644 --- a/setup.py +++ b/setup.py @@ -165,7 +165,7 @@ def download_binaries(self): os.chmod(executable, 0o755) @staticmethod - def download_file(url, dest, max_retries=3, delay=2) -> tuple[bool, str]: + def download_file(url, dest, max_retries=10, delay=5) -> tuple[bool, str]: """Download a file from a URL""" for attempt in range(max_retries): try: From eb3d850322517a2fe7d10f7905bb8a16448899f6 Mon Sep 17 00:00:00 2001 From: Alexandre Bonvin Date: Mon, 3 Nov 2025 13:52:04 +0100 Subject: [PATCH 052/101] Fix indentation in HADDOCK3 notebook metadata --- notebooks/HADDOCK3-antibody-antigen.ipynb | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/notebooks/HADDOCK3-antibody-antigen.ipynb b/notebooks/HADDOCK3-antibody-antigen.ipynb index fd10ec1b01..a7b28207ca 100644 --- a/notebooks/HADDOCK3-antibody-antigen.ipynb +++ b/notebooks/HADDOCK3-antibody-antigen.ipynb @@ -3,7 +3,7 @@ "nbformat_minor": 0, "metadata": { "colab": { - "provenance": [], + "provenance": [] }, "kernelspec": { "name": "python3", From f2e18c1b31e0f0dcfa3f4f068c507c4b56e8497d Mon Sep 17 00:00:00 2001 From: Alexandre Bonvin Date: Mon, 3 Nov 2025 13:58:23 +0100 Subject: [PATCH 053/101] Add GPU type metadata to HADDOCK3 notebook --- notebooks/HADDOCK3-antibody-antigen.ipynb | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/notebooks/HADDOCK3-antibody-antigen.ipynb b/notebooks/HADDOCK3-antibody-antigen.ipynb index a7b28207ca..f2c1cc568e 100644 --- a/notebooks/HADDOCK3-antibody-antigen.ipynb +++ b/notebooks/HADDOCK3-antibody-antigen.ipynb @@ -3,7 +3,8 @@ "nbformat_minor": 0, "metadata": { "colab": { - "provenance": [] + "provenance": [], + "gpuType": "" }, "kernelspec": { "name": "python3", From d29a562b25141a6c5d698e0b4297a84db427796e Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 3 Nov 2025 12:59:08 +0000 Subject: [PATCH 054/101] Bump fastapi from 0.116.1 to 0.120.4 Bumps [fastapi](https://github.com/fastapi/fastapi) from 0.116.1 to 0.120.4. - [Release notes](https://github.com/fastapi/fastapi/releases) - [Commits](https://github.com/fastapi/fastapi/compare/0.116.1...0.120.4) --- updated-dependencies: - dependency-name: fastapi dependency-version: 0.120.4 dependency-type: direct:development update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index 77fa8f8a3e..f039aeb54a 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -57,7 +57,7 @@ dev = [ "pytest-cov==6.2.1", "hypothesis==6.140.2", "pytest-mock==3.15.1", - "fastapi==0.116.1", + "fastapi==0.121.0", "httpx==0.28.1", "kaleido==1.1.0", "pytest-random-order==1.2.0", From 2ad5b866f55ccefd35990b3144d021e1f66ee486 Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 3 Nov 2025 12:59:48 +0000 Subject: [PATCH 055/101] Bump coverage from 7.10.6 to 7.10.7 Bumps [coverage](https://github.com/nedbat/coveragepy) from 7.10.6 to 7.10.7. - [Release notes](https://github.com/nedbat/coveragepy/releases) - [Changelog](https://github.com/nedbat/coveragepy/blob/master/CHANGES.rst) - [Commits](https://github.com/nedbat/coveragepy/compare/7.10.6...7.10.7) --- updated-dependencies: - dependency-name: coverage dependency-version: 7.10.7 dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index 77fa8f8a3e..cf716f6315 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -52,7 +52,7 @@ dependencies = [ [project.optional-dependencies] dev = [ - "coverage==7.10.6", + "coverage==7.10.7", "pytest==8.4.2", "pytest-cov==6.2.1", "hypothesis==6.140.2", From c86e60e118bdd9aa58ce5e5420e9119e4bdda2b1 Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 3 Nov 2025 17:17:09 +0000 Subject: [PATCH 056/101] Bump pytest-cov from 6.2.1 to 7.0.0 Bumps [pytest-cov](https://github.com/pytest-dev/pytest-cov) from 6.2.1 to 7.0.0. - [Changelog](https://github.com/pytest-dev/pytest-cov/blob/master/CHANGELOG.rst) - [Commits](https://github.com/pytest-dev/pytest-cov/compare/v6.2.1...v7.0.0) --- updated-dependencies: - dependency-name: pytest-cov dependency-version: 7.0.0 dependency-type: direct:development update-type: version-update:semver-major ... Signed-off-by: dependabot[bot] --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index d3f7121143..0a52724c4c 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -54,7 +54,7 @@ dependencies = [ dev = [ "coverage==7.10.7", "pytest==8.4.2", - "pytest-cov==6.2.1", + "pytest-cov==7.0.0", "hypothesis==6.140.2", "pytest-mock==3.15.1", "fastapi==0.121.0", From 45f12cda53d8e6e1e93f1cf71421ecc12737066a Mon Sep 17 00:00:00 2001 From: Anna Kravchenko Date: Tue, 4 Nov 2025 10:37:19 +0100 Subject: [PATCH 057/101] remove bioexcel link, add user manual link --- src/haddock/gear/greetings.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/haddock/gear/greetings.py b/src/haddock/gear/greetings.py index ec5281e853..9774cba83b 100644 --- a/src/haddock/gear/greetings.py +++ b/src/haddock/gear/greetings.py @@ -31,8 +31,8 @@ feedback_urls = { "GitHub issues": "https://github.com/haddocking/haddock3/issues", "BioExcel feedback": "https://www.bonvinlab.org/feedback", - "BioExcel survey": "https://bioexcel.eu/bioexcel-survey-2025/", "BioExcel forum": "https://ask.bioexcel.eu/c/haddock/6", + "HADDOCK3 user manual": "https://www.bonvinlab.org/haddock3-user-manual/" } From c27cac961db42364bc7f8d20229ac491e96fe8c3 Mon Sep 17 00:00:00 2001 From: Arha Date: Tue, 4 Nov 2025 10:45:37 +0100 Subject: [PATCH 058/101] Update greetings.py --- src/haddock/gear/greetings.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/haddock/gear/greetings.py b/src/haddock/gear/greetings.py index 9774cba83b..cd327086e9 100644 --- a/src/haddock/gear/greetings.py +++ b/src/haddock/gear/greetings.py @@ -32,7 +32,7 @@ "GitHub issues": "https://github.com/haddocking/haddock3/issues", "BioExcel feedback": "https://www.bonvinlab.org/feedback", "BioExcel forum": "https://ask.bioexcel.eu/c/haddock/6", - "HADDOCK3 user manual": "https://www.bonvinlab.org/haddock3-user-manual/" + "Haddock3 user manual": "https://www.bonvinlab.org/haddock3-user-manual/" } From 8d6295b40c6e9bbb64babe62608c99933104a65f Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Tue, 4 Nov 2025 12:39:25 +0100 Subject: [PATCH 059/101] include molecular engine binaries --- MANIFEST.in | 1 + setup.py | 28 +++++++----------- src/haddock/cns/bin/aarch64-linux.bin | Bin 0 -> 3947816 bytes src/haddock/cns/bin/arm64-darwin.bin | Bin 0 -> 4171768 bytes src/haddock/cns/bin/x86_64-darwin.bin | Bin 0 -> 4089832 bytes src/haddock/cns/bin/x86_64-linux.bin | Bin 0 -> 6363048 bytes src/haddock/libs/libutil.py | 40 +++++++++++++------------- 7 files changed, 31 insertions(+), 38 deletions(-) create mode 100755 src/haddock/cns/bin/aarch64-linux.bin create mode 100755 src/haddock/cns/bin/arm64-darwin.bin create mode 100755 src/haddock/cns/bin/x86_64-darwin.bin create mode 100755 src/haddock/cns/bin/x86_64-linux.bin diff --git a/MANIFEST.in b/MANIFEST.in index 1747e09403..b57d0662c3 100644 --- a/MANIFEST.in +++ b/MANIFEST.in @@ -27,4 +27,5 @@ recursive-include varia *.inc recursive-include varia *.lua recursive-include varia *.md include src/haddock/bin/* +include src/haddock/cns/bin/* include src/haddock/libs/assets/* diff --git a/setup.py b/setup.py index 3e19278966..a114038284 100644 --- a/setup.py +++ b/setup.py @@ -17,12 +17,6 @@ from setuptools.command.develop import develop from setuptools.command.install import install -CNS_BINARIES = { - "x86_64-linux": "https://surfdrive.surf.nl/public.php/dav/files/BWa5OimzbNliTi6", - "x86_64-darwin": "https://surfdrive.surf.nl/public.php/dav/files/3Fzzte0Zx0L8GTY", - "arm64-darwin": "https://surfdrive.surf.nl/public.php/dav/files/bYB3xPWf7iwo07X", - "aarch64-linux": "https://surfdrive.surf.nl/public.php/dav/files/3rHpxcufHGrntHn", -} HADDOCK_RESTRAINTS_VERSION = "0.10.0" BASE_GITHUB_URL = f"https://github.com/haddocking/haddock-restraints/releases/download/v{HADDOCK_RESTRAINTS_VERSION}" @@ -110,7 +104,6 @@ def download_binaries(self): arch = self.get_arch() binary_configs = [ (HADDOCK_RESTRAINTS_BINARIES, Path("haddock-restraints.tar.gz")), - (CNS_BINARIES, Path("cns")), ] # Determine the target directory @@ -133,16 +126,6 @@ def download_binaries(self): print(msg) sys.exit(1) - if arch != "x86_64-linux" and filename.name == "cns": - # Force the download of the linux binary, this is needed for GRID executions - download_path = Path(target_bin_dir, "cns_linux") - status, msg = self.download_file( - binary_dict["x86_64-linux"], download_path - ) - if not status: - print(msg) - sys.exit(1) - if "".join(filename.suffixes) == ".tar.gz": try: with tarfile.open(download_path, "r:gz") as tar: @@ -246,7 +229,8 @@ def run(self): def check_cns_binary(self): """Execute the CNS binary to ensure it works""" - cns_path = Path(f"{self.install_lib}/haddock/bin/cns") + arch = self.get_arch() + cns_path = Path(f"{self.install_lib}/haddock/cns/bin/{arch}.bin") proc = subprocess.run( [cns_path], input="stop\n", @@ -300,6 +284,14 @@ def cns_valid(): # Fallback for systems without /dev/tty sys.stdout.write("CNS execution passed ✅ \n") + @staticmethod + def get_arch(): + """Helper function to figure 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