From 89dc2f180ad056b934156c0b93e9bf1e3c11e75c Mon Sep 17 00:00:00 2001 From: Laura Malo <44496034+laumalo@users.noreply.github.com> Date: Fri, 9 Apr 2021 12:22:32 +0200 Subject: [PATCH 01/16] Add input module --- peleffy/topology/molecule.py | 52 +++++++++++++--- peleffy/utils/input.py | 117 +++++++++++++++++++++++++++++++++++ 2 files changed, 162 insertions(+), 7 deletions(-) create mode 100644 peleffy/utils/input.py diff --git a/peleffy/topology/molecule.py b/peleffy/topology/molecule.py index 4290493d..2b811806 100644 --- a/peleffy/topology/molecule.py +++ b/peleffy/topology/molecule.py @@ -16,9 +16,9 @@ class Molecule(object): the OpenForceField toolkit for PELE. """ - def __init__(self, path=None, smiles=None, rotamer_resolution=30, - exclude_terminal_rotamers=True, name='', tag='UNK', - connectivity_template=None, core_constraints=[], + def __init__(self, path=None, smiles=None, pdb_block=None, + rotamer_resolution=30,exclude_terminal_rotamers=True, name='', + tag='UNK', connectivity_template=None, core_constraints=[], allow_undefined_stereo=False, fix_pdb=True): """ It initializes a Molecule object through a PDB file or a SMILES @@ -134,7 +134,6 @@ def __init__(self, path=None, smiles=None, rotamer_resolution=30, # Deactivate OpenForceField toolkit warnings import logging logging.getLogger().setLevel(logging.ERROR) - if isinstance(path, str): from pathlib import Path extension = Path(path).suffix @@ -146,7 +145,8 @@ def __init__(self, path=None, smiles=None, rotamer_resolution=30, '{} is not a valid extension'.format(extension)) elif isinstance(smiles, str): self._initialize_from_smiles(smiles) - + elif isinstance(pdb_block, str): + self._initialize_from_pdb_block(pdb_block) else: self._initialize() @@ -290,10 +290,8 @@ def _initialize_from_pdb(self, path): logger = Logger() logger.info(' - Initializing molecule from PDB') self._initialize() - # Validate PDB self._pdb_checkup(path) - # Read and fix PDB pdb_block = self._read_and_fix_pdb(path) @@ -361,6 +359,46 @@ def _initialize_from_smiles(self, smiles): openforcefield_toolkit = OpenForceFieldToolkitWrapper() self._off_molecule = openforcefield_toolkit.from_rdkit(self) + def _initialize_from_pdb_block(self, pdb_block): + """ + It initializes a molecule with the molecule structure fetch in a PDB + block. + + Parameters + ---------- + pdb_block : str + PDB block with the molecule structure + """ + logger = Logger() + logger.info(' - Initializing molecule from PDB') + self._initialize() + + logger.info(' - Loading molecule from RDKit') + rdkit_toolkit = RDKitToolkitWrapper() + self._rdkit_molecule = rdkit_toolkit.from_pdb_block(pdb_block) + + # Use RDKit template, if any, to assign the connectivity to + # the current Molecule object + if self.connectivity_template is not None: + logger.info(' - Assigning connectivity from template') + rdkit_toolkit.assign_connectivity_from_template(self) + + if not self.allow_undefined_stereo: + # RDKit must generate stereochemistry specifically from 3D coords + logger.info(' - Assigning stereochemistry from 3D coordinates') + rdkit_toolkit.assign_stereochemistry_from_3D(self) + + # Set molecule tag according to PDB's residue name + if self.tag == 'UNK': + tag = rdkit_toolkit.get_residue_name(self) + logger.info(' - Setting molecule tag to \'{}\''.format(tag)) + self.set_tag(tag) + + logger.info(' - Representing molecule with the Open Force Field ' + + 'Toolkit') + openforcefield_toolkit = OpenForceFieldToolkitWrapper() + self._off_molecule = openforcefield_toolkit.from_rdkit(self) + def _build_rotamers(self): """It builds the rotamers of the molecule.""" logger = Logger() diff --git a/peleffy/utils/input.py b/peleffy/utils/input.py new file mode 100644 index 00000000..0c621e8f --- /dev/null +++ b/peleffy/utils/input.py @@ -0,0 +1,117 @@ +""" +This module contains a set of classes and methods designed to handle +input data. +""" + + +class PDB(object): + """ + It handles an input PDB file and allows the extraction of multiple molecules + as peleffy.topology.Molecule objects. + """ + + def __init__(self, path): + """ + It initializes a PDB object through a PDB file. + + Parameters + ---------- + path : str + The path to the PDB with the molecules structures. + + Examples + -------- + + Load all the hetero molecules from a PDB + + >>> from peleffy.utils.input import PDB + + >>> PDBreader = PDB('/path/to/pdb.pdb') + >>> molecules = PDBreader.get_hetero_molecules() + + Load from a PDB the hetero atom in the L chain. + + >>> from peleffy.utils.input import PDB + + >>> PDBreader = PDB('/path/to/pdb.pdb') + >>> molecule = PDBreader.get_molecule_from_chain(selected_chain = 'L') + + """ + self.pdb_content = open(path, 'r').readlines() + + def extract_molecule_from_chain(self, chain_id): + """ + It extracts a peleffy.topology.Molecule object selected by the chain. + + Parameters + ---------- + chain_id : str + Chain ID. + + Returns + ------- + molecule : a peleffy.topology.Molecule object + Selected molecule. + """ + from peleffy.topology.molecule import Molecule + + # Select which atoms compose this molecule + atom_ids = [line[6:11].strip() for line in self.pdb_content + if line.startswith('HETATM') and line[21:22] == chain_id] + + # Extract the PDB block of the molecule + pdb_block = [line for line in self.pdb_content + if (line.startswith('HETATM') or line.startswith('CONECT')) + and any(a in line for a in atom_ids)] + + return Molecule(pdb_block=''.join(pdb_block)) + + def get_hetero_molecules(self): + """ + It returns a list of peleffy.topology.Molecule objects with all the + hetero molecules contained in the PDB. + + Returns + ------- + molecules : list[peleffy.topology.Molecule] + List of the multiple molecules in the PDB file + """ + chain_ids = set([line[21:22] for line in self.pdb_content + if line.startswith('HETATM')]) + molecules = [self.get_molecule_from_chain(selected_chain=chain_id) for + chain_id in chain_ids] + + return molecules + + def get_molecule_from_chain(self, selected_chain): + """ + It selects a molecule by the chain Id. + + Parameters + ---------- + selected_chain : str + Chain Id. + + Returns + ------- + molecule : a peleffy.topology.Molecule + The peleffy's Molecule object corresponding to the selected chain. + """ + if selected_chain is None: + raise ValueError('The input PDB has multiple molecules. A chain' + + 'has to be selected.') + + chain_ids = set([line[21:22] for line in self.pdb_content + if line.startswith('HETATM')]) + all_chain_ids = set([line[21:22] for line in self.pdb_content + if line.startswith('ATOM') + or line.startswith('HETATM')]) + if not selected_chain in all_chain_ids: + raise ValueError('The selected chain {}'.format(selected_chain) + + ' is not a valid chain for this PDB. Available' + + ' chains to select are: {}'.format(chain_ids)) + if not selected_chain in chain_ids and selected_chain in all_chain_ids: + raise ValueError('The selected chain {}'.format(selected_chain)+ + ' is not a hetero molecule. Peleffy' + + ' is only compatible with hetero atoms.') + return self.extract_molecule_from_chain(chain_id=selected_chain) From c683664eb1917ed59f7c2dee7a07b3983cdbb81f Mon Sep 17 00:00:00 2001 From: Laura Malo <44496034+laumalo@users.noreply.github.com> Date: Fri, 9 Apr 2021 13:55:30 +0200 Subject: [PATCH 02/16] Minor format error fixed --- peleffy/topology/molecule.py | 2 ++ peleffy/utils/input.py | 10 ++++++---- 2 files changed, 8 insertions(+), 4 deletions(-) diff --git a/peleffy/topology/molecule.py b/peleffy/topology/molecule.py index 2b811806..26b497c7 100644 --- a/peleffy/topology/molecule.py +++ b/peleffy/topology/molecule.py @@ -290,8 +290,10 @@ def _initialize_from_pdb(self, path): logger = Logger() logger.info(' - Initializing molecule from PDB') self._initialize() + # Validate PDB self._pdb_checkup(path) + # Read and fix PDB pdb_block = self._read_and_fix_pdb(path) diff --git a/peleffy/utils/input.py b/peleffy/utils/input.py index 0c621e8f..41ce9145 100644 --- a/peleffy/utils/input.py +++ b/peleffy/utils/input.py @@ -85,7 +85,9 @@ def get_hetero_molecules(self): def get_molecule_from_chain(self, selected_chain): """ - It selects a molecule by the chain Id. + It selects a molecule from a chain. It handles the possibles error when + selecting the chain for a PDB, and if any it returns the molecule as a + peleffy.topology.Molecule object. Parameters ---------- @@ -104,14 +106,14 @@ def get_molecule_from_chain(self, selected_chain): chain_ids = set([line[21:22] for line in self.pdb_content if line.startswith('HETATM')]) all_chain_ids = set([line[21:22] for line in self.pdb_content - if line.startswith('ATOM') - or line.startswith('HETATM')]) + if line.startswith('ATOM') + or line.startswith('HETATM')]) if not selected_chain in all_chain_ids: raise ValueError('The selected chain {}'.format(selected_chain) + ' is not a valid chain for this PDB. Available' + ' chains to select are: {}'.format(chain_ids)) if not selected_chain in chain_ids and selected_chain in all_chain_ids: - raise ValueError('The selected chain {}'.format(selected_chain)+ + raise ValueError('The selected chain {}'.format(selected_chain) + ' is not a hetero molecule. Peleffy' + ' is only compatible with hetero atoms.') return self.extract_molecule_from_chain(chain_id=selected_chain) From 613bd0d1bd195e373ba490fd7b4f5c9600c81787 Mon Sep 17 00:00:00 2001 From: Laura Malo <44496034+laumalo@users.noreply.github.com> Date: Fri, 9 Apr 2021 14:28:04 +0200 Subject: [PATCH 03/16] Add main option, tests and rotamers option --- peleffy/main.py | 18 ++++++++++++-- peleffy/tests/test_utils.py | 15 +++++++++++- peleffy/utils/input.py | 47 ++++++++++++++++++++++++++++--------- 3 files changed, 66 insertions(+), 14 deletions(-) diff --git a/peleffy/main.py b/peleffy/main.py index 909be3a7..6a1cb2df 100644 --- a/peleffy/main.py +++ b/peleffy/main.py @@ -68,6 +68,9 @@ def parse_args(args): parser.add_argument('--charges_from_file', metavar="PATH", type=str, help="The path to the file with charges", default=None) + parser.add_argument("--chain", metavar="CHAIN", + type=str, help="Chain of the molecule to parameterize", + default=None) parser.add_argument('--include_terminal_rotamers', dest="include_terminal_rotamers", action='store_true', @@ -98,6 +101,7 @@ def run_peleffy(pdb_file, resolution=DEFAULT_RESOLUTION, charge_method=DEFAULT_CHARGE_METHOD, charges_from_file=None, + chain=None, exclude_terminal_rotamers=True, output=None, with_solvent=False, as_datalocal=False): @@ -118,6 +122,8 @@ def run_peleffy(pdb_file, charges_from_file : str The file containing the partial charges to assign to the molecule. Default is None + chain : str + Chain to the molecule if the PDB contains multiple molecules. exclude_terminal_rotamers : bool Whether to exclude terminal rotamers or not output : str @@ -159,13 +165,20 @@ def run_peleffy(pdb_file, from peleffy.forcefield import ForceFieldSelector from peleffy.topology import Topology from peleffy.utils import parse_charges_from_mae + from peleffy.utils.input import PDB if not output: output = os.getcwd() # Initialize molecule - molecule = Molecule(pdb_file, rotamer_resolution=resolution, + if chain is not None: + PDBreader = PDB(pdb_file) + molecule = PDBreader.get_molecule_from_chain(selected_chain=chain, + rotamer_resolution=resolution, exclude_terminal_rotamers=exclude_terminal_rotamers) + else: + molecule = Molecule(pdb_file, rotamer_resolution=resolution, + exclude_terminal_rotamers=exclude_terminal_rotamers) # Initialize force field ff_selector = ForceFieldSelector() @@ -256,7 +269,8 @@ def main(args): output=args.output, with_solvent=args.with_solvent, as_datalocal=args.as_datalocal, - charges_from_file=args.charges_from_file) + charges_from_file=args.charges_from_file, + chain=args.chain) if __name__ == '__main__': diff --git a/peleffy/tests/test_utils.py b/peleffy/tests/test_utils.py index d0705a59..ab4af8ec 100644 --- a/peleffy/tests/test_utils.py +++ b/peleffy/tests/test_utils.py @@ -617,6 +617,19 @@ def test_parse_charges_from_mae(self): with pytest.raises(ValueError): _ = parse_charges_from_mae(PATH_PDB_BHP, parameters) +class TestPDB(object): + """ + It contains all the tests to validate the PDB class. + """ + def test_get_molecule_from_chain(self): + """ + TO DO + """ + pass - + def test_get_hetero_molecules(self): + """ + TO DO + """ + pass diff --git a/peleffy/utils/input.py b/peleffy/utils/input.py index 41ce9145..a643e65c 100644 --- a/peleffy/utils/input.py +++ b/peleffy/utils/input.py @@ -39,7 +39,8 @@ def __init__(self, path): """ self.pdb_content = open(path, 'r').readlines() - def extract_molecule_from_chain(self, chain_id): + def extract_molecule_from_chain(self, chain, rotamer_resolution, + exclude_terminal_rotamers): """ It extracts a peleffy.topology.Molecule object selected by the chain. @@ -47,6 +48,12 @@ def extract_molecule_from_chain(self, chain_id): ---------- chain_id : str Chain ID. + rotamer_resolution : float + The resolution in degrees to discretize the rotamer's + conformational space. Default is 30 + exclude_terminal_rotamers : bool + Whether to exclude terminal rotamers when generating the + rotamers library or not Returns ------- @@ -57,16 +64,19 @@ def extract_molecule_from_chain(self, chain_id): # Select which atoms compose this molecule atom_ids = [line[6:11].strip() for line in self.pdb_content - if line.startswith('HETATM') and line[21:22] == chain_id] + if line.startswith('HETATM') and line[21:22] == chain] # Extract the PDB block of the molecule pdb_block = [line for line in self.pdb_content if (line.startswith('HETATM') or line.startswith('CONECT')) and any(a in line for a in atom_ids)] - return Molecule(pdb_block=''.join(pdb_block)) + return Molecule(pdb_block=''.join(pdb_block), + rotamer_resolution=rotamer_resolution, + exclude_terminal_rotamers=exclude_terminal_rotamers) - def get_hetero_molecules(self): + def get_hetero_molecules(self, rotamer_resolution=30, + exclude_terminal_rotamers=True): """ It returns a list of peleffy.topology.Molecule objects with all the hetero molecules contained in the PDB. @@ -75,15 +85,25 @@ def get_hetero_molecules(self): ------- molecules : list[peleffy.topology.Molecule] List of the multiple molecules in the PDB file + rotamer_resolution : float + The resolution in degrees to discretize the rotamer's + conformational space. Default is 30 + exclude_terminal_rotamers : bool + Whether to exclude terminal rotamers when generating the + rotamers library or not """ chain_ids = set([line[21:22] for line in self.pdb_content if line.startswith('HETATM')]) - molecules = [self.get_molecule_from_chain(selected_chain=chain_id) for - chain_id in chain_ids] + molecules = [self.extract_molecule_from_chain( + chain=chain_id, + rotamer_resolution=rotamer_resolution, + exclude_terminal_rotamers=exclude_terminal_rotamers) + for chain_id in chain_ids] return molecules - def get_molecule_from_chain(self, selected_chain): + def get_molecule_from_chain(self, selected_chain, rotamer_resolution=30, + exclude_terminal_rotamers=True): """ It selects a molecule from a chain. It handles the possibles error when selecting the chain for a PDB, and if any it returns the molecule as a @@ -93,15 +113,18 @@ def get_molecule_from_chain(self, selected_chain): ---------- selected_chain : str Chain Id. + rotamer_resolution : float + The resolution in degrees to discretize the rotamer's + conformational space. Default is 30 + exclude_terminal_rotamers : bool + Whether to exclude terminal rotamers when generating the + rotamers library or not Returns ------- molecule : a peleffy.topology.Molecule The peleffy's Molecule object corresponding to the selected chain. """ - if selected_chain is None: - raise ValueError('The input PDB has multiple molecules. A chain' + - 'has to be selected.') chain_ids = set([line[21:22] for line in self.pdb_content if line.startswith('HETATM')]) @@ -116,4 +139,6 @@ def get_molecule_from_chain(self, selected_chain): raise ValueError('The selected chain {}'.format(selected_chain) + ' is not a hetero molecule. Peleffy' + ' is only compatible with hetero atoms.') - return self.extract_molecule_from_chain(chain_id=selected_chain) + return self.extract_molecule_from_chain(chain=selected_chain, + rotamer_resolution=rotamer_resolution, + exclude_terminal_rotamers=exclude_terminal_rotamers) From c6b668d05f17dd27e5b596e584f6c37b0f98f46d Mon Sep 17 00:00:00 2001 From: Laura Malo <44496034+laumalo@users.noreply.github.com> Date: Wed, 14 Apr 2021 11:23:08 +0200 Subject: [PATCH 04/16] Allow allow_undefined_stereo to be modified by the user --- peleffy/utils/input.py | 28 ++++++++++++++++++++++------ 1 file changed, 22 insertions(+), 6 deletions(-) diff --git a/peleffy/utils/input.py b/peleffy/utils/input.py index a643e65c..ac5e2cef 100644 --- a/peleffy/utils/input.py +++ b/peleffy/utils/input.py @@ -40,7 +40,8 @@ def __init__(self, path): self.pdb_content = open(path, 'r').readlines() def extract_molecule_from_chain(self, chain, rotamer_resolution, - exclude_terminal_rotamers): + exclude_terminal_rotamers, + allow_undefined_stereo): """ It extracts a peleffy.topology.Molecule object selected by the chain. @@ -54,6 +55,10 @@ def extract_molecule_from_chain(self, chain, rotamer_resolution, exclude_terminal_rotamers : bool Whether to exclude terminal rotamers when generating the rotamers library or not + allow_undefined_stereo : bool + Whether to allow a molecule with undefined stereochemistry + to be defined or try to assign the stereochemistry and + raise a complaint if not possible. Default is False Returns ------- @@ -70,13 +75,14 @@ def extract_molecule_from_chain(self, chain, rotamer_resolution, pdb_block = [line for line in self.pdb_content if (line.startswith('HETATM') or line.startswith('CONECT')) and any(a in line for a in atom_ids)] - return Molecule(pdb_block=''.join(pdb_block), rotamer_resolution=rotamer_resolution, - exclude_terminal_rotamers=exclude_terminal_rotamers) + exclude_terminal_rotamers=exclude_terminal_rotamers, + allow_undefined_stereo=allow_undefined_stereo) def get_hetero_molecules(self, rotamer_resolution=30, - exclude_terminal_rotamers=True): + exclude_terminal_rotamers=True, + allow_undefined_stereo=False): """ It returns a list of peleffy.topology.Molecule objects with all the hetero molecules contained in the PDB. @@ -91,6 +97,10 @@ def get_hetero_molecules(self, rotamer_resolution=30, exclude_terminal_rotamers : bool Whether to exclude terminal rotamers when generating the rotamers library or not + allow_undefined_stereo : bool + Whether to allow a molecule with undefined stereochemistry + to be defined or try to assign the stereochemistry and + raise a complaint if not possible. Default is False """ chain_ids = set([line[21:22] for line in self.pdb_content if line.startswith('HETATM')]) @@ -103,7 +113,8 @@ def get_hetero_molecules(self, rotamer_resolution=30, return molecules def get_molecule_from_chain(self, selected_chain, rotamer_resolution=30, - exclude_terminal_rotamers=True): + exclude_terminal_rotamers=True, + allow_undefined_stereo=False): """ It selects a molecule from a chain. It handles the possibles error when selecting the chain for a PDB, and if any it returns the molecule as a @@ -119,6 +130,10 @@ def get_molecule_from_chain(self, selected_chain, rotamer_resolution=30, exclude_terminal_rotamers : bool Whether to exclude terminal rotamers when generating the rotamers library or not + allow_undefined_stereo : bool + Whether to allow a molecule with undefined stereochemistry + to be defined or try to assign the stereochemistry and + raise a complaint if not possible. Default is False Returns ------- @@ -141,4 +156,5 @@ def get_molecule_from_chain(self, selected_chain, rotamer_resolution=30, ' is only compatible with hetero atoms.') return self.extract_molecule_from_chain(chain=selected_chain, rotamer_resolution=rotamer_resolution, - exclude_terminal_rotamers=exclude_terminal_rotamers) + exclude_terminal_rotamers=exclude_terminal_rotamers, + allow_undefined_stereo=allow_undefined_stereo) From 978723afeb6e4f655506bb32ffc3f48aa60c996c Mon Sep 17 00:00:00 2001 From: Laura Malo <44496034+laumalo@users.noreply.github.com> Date: Wed, 14 Apr 2021 13:16:42 +0200 Subject: [PATCH 05/16] Fix missing flag --- peleffy/utils/input.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/peleffy/utils/input.py b/peleffy/utils/input.py index ac5e2cef..92965c10 100644 --- a/peleffy/utils/input.py +++ b/peleffy/utils/input.py @@ -107,7 +107,8 @@ def get_hetero_molecules(self, rotamer_resolution=30, molecules = [self.extract_molecule_from_chain( chain=chain_id, rotamer_resolution=rotamer_resolution, - exclude_terminal_rotamers=exclude_terminal_rotamers) + exclude_terminal_rotamers=exclude_terminal_rotamers, + allow_undefined_stereo=allow_undefined_stereo) for chain_id in chain_ids] return molecules From 652b75ef87bfc0b35ac778daf2b49bde3a46fcec Mon Sep 17 00:00:00 2001 From: Laura Malo <44496034+laumalo@users.noreply.github.com> Date: Wed, 14 Apr 2021 16:56:20 +0200 Subject: [PATCH 06/16] Fix HOH error --- peleffy/utils/input.py | 17 ++++++++++++++--- 1 file changed, 14 insertions(+), 3 deletions(-) diff --git a/peleffy/utils/input.py b/peleffy/utils/input.py index 92965c10..1e2a18f3 100644 --- a/peleffy/utils/input.py +++ b/peleffy/utils/input.py @@ -67,6 +67,13 @@ def extract_molecule_from_chain(self, chain, rotamer_resolution, """ from peleffy.topology.molecule import Molecule + residue = set([line[17:20].strip() for line in self.pdb_content + if line.startswith('HETATM') and line[21:22] == chain]) + if len(residue) > 1: + raise ValueError('The selected chain {}'.format(chain) + + ' has more than one residue. Each hetero' + + ' molecule has to be in a different chain.') + # Select which atoms compose this molecule atom_ids = [line[6:11].strip() for line in self.pdb_content if line.startswith('HETATM') and line[21:22] == chain] @@ -74,7 +81,8 @@ def extract_molecule_from_chain(self, chain, rotamer_resolution, # Extract the PDB block of the molecule pdb_block = [line for line in self.pdb_content if (line.startswith('HETATM') or line.startswith('CONECT')) - and any(a in line for a in atom_ids)] + and any(' {} '.format(a) in line for a in atom_ids)] + return Molecule(pdb_block=''.join(pdb_block), rotamer_resolution=rotamer_resolution, exclude_terminal_rotamers=exclude_terminal_rotamers, @@ -103,7 +111,9 @@ def get_hetero_molecules(self, rotamer_resolution=30, raise a complaint if not possible. Default is False """ chain_ids = set([line[21:22] for line in self.pdb_content - if line.startswith('HETATM')]) + if line.startswith('HETATM') + and not line[17:20].strip() == 'HOH']) + molecules = [self.extract_molecule_from_chain( chain=chain_id, rotamer_resolution=rotamer_resolution, @@ -143,7 +153,8 @@ def get_molecule_from_chain(self, selected_chain, rotamer_resolution=30, """ chain_ids = set([line[21:22] for line in self.pdb_content - if line.startswith('HETATM')]) + if line.startswith('HETATM') + and not line[17:20].strip() == 'HOH']) all_chain_ids = set([line[21:22] for line in self.pdb_content if line.startswith('ATOM') or line.startswith('HETATM')]) From 1f350e0ae8b973cab3cca4d30204a0bdbee3028f Mon Sep 17 00:00:00 2001 From: Laura Malo <44496034+laumalo@users.noreply.github.com> Date: Wed, 14 Apr 2021 22:18:32 +0200 Subject: [PATCH 07/16] Add tests --- peleffy/data/complexes/LIG1_LIG2.pdb | 2986 ++++++++++++++++++++++++++ peleffy/data/ligands/BNZ.pdb | 29 + peleffy/data/ligands/LIG1.pdb | 131 ++ peleffy/data/ligands/LIG2.pdb | 95 + peleffy/tests/test_main.py | 27 + peleffy/tests/test_utils.py | 281 ++- peleffy/utils/input.py | 2 + 7 files changed, 3476 insertions(+), 75 deletions(-) create mode 100644 peleffy/data/complexes/LIG1_LIG2.pdb create mode 100644 peleffy/data/ligands/BNZ.pdb create mode 100644 peleffy/data/ligands/LIG1.pdb create mode 100644 peleffy/data/ligands/LIG2.pdb diff --git a/peleffy/data/complexes/LIG1_LIG2.pdb b/peleffy/data/complexes/LIG1_LIG2.pdb new file mode 100644 index 00000000..79926af6 --- /dev/null +++ b/peleffy/data/complexes/LIG1_LIG2.pdb @@ -0,0 +1,2986 @@ +HEADER HYDROLASE 03-JUL-17 5OCO +TITLE DISCOVERY OF SMALL MOLECULES BINDING TO KRAS VIA HIGH +TITLE 2 AFFINITY ANTIBODY FRAGMENT COMPETITION METHOD. +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 1.66 ANGSTROMS +REMARK 3 R VALUE : 0.179000 +REMARK 3 FREE R VALUE : 0.205000 +REMARK 4 5OCO COMPLIES WITH FORMAT V. 3.30, +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 5.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, A, C, D, E, F +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +HET GNP L 201 32 +HET 9RK G 202 19 +HET GNP L 201 17 +HET 9RK G 202 13 +HETNAM GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER +HETNAM 9RK ~{N}-[[(3~{R})-2,3-DIHYDRO-1,4-BENZODIOXIN-3- YL]METHYL +HETNAM 2 9RK ]FURAN-2-CARBOXAMIDE +FORMUL 1 GNP 2(C10 H17 N6 O13 P3) +FORMUL 2 9RK 2(C14 H13 N O4) +CRYST1 63.600 118.760 156.900 90.00 90.00 90.00 P 21 21 21 24 +ATOM 1 N TYR B -3 33.689 111.449 46.651 1.00 59.44 N +ATOM 2 CA TYR B -3 35.158 111.119 46.700 1.00 60.85 C +ATOM 3 C TYR B -3 35.625 110.366 45.407 1.00 52.29 C +ATOM 4 O TYR B -3 34.871 109.612 44.787 1.00 51.26 O +ATOM 5 CB TYR B -3 35.555 110.322 47.960 1.00 60.96 C +ATOM 6 H1 TYR B -3 33.424 111.932 47.497 1.00 0.00 H +ATOM 7 H2 TYR B -3 33.503 112.040 45.854 1.00 0.00 H +ATOM 8 HA TYR B -3 35.699 112.065 46.734 1.00 0.00 H +ATOM 9 HB1 TYR B -3 36.625 110.115 47.937 1.00 0.00 H +ATOM 10 HB2 TYR B -3 35.317 110.905 48.849 1.00 0.00 H +ATOM 11 HB3 TYR B -3 35.004 109.382 47.985 1.00 0.00 H +ATOM 12 N PHE B -2 36.834 110.693 44.958 1.00 45.67 N +ATOM 13 CA PHE B -2 37.360 110.160 43.695 1.00 43.52 C +ATOM 14 C PHE B -2 37.852 108.725 43.913 1.00 47.63 C +ATOM 15 O PHE B -2 38.667 108.486 44.797 1.00 43.32 O +ATOM 16 CB PHE B -2 38.465 111.053 43.197 1.00 44.99 C +ATOM 17 CG PHE B -2 39.212 110.516 42.015 1.00 46.62 C +ATOM 18 CD1 PHE B -2 38.720 110.725 40.712 1.00 37.88 C +ATOM 19 CD2 PHE B -2 40.438 109.855 42.192 1.00 44.52 C +ATOM 20 CE1 PHE B -2 39.406 110.268 39.626 1.00 38.90 C +ATOM 21 CE2 PHE B -2 41.165 109.402 41.053 1.00 40.49 C +ATOM 22 CZ PHE B -2 40.634 109.618 39.771 1.00 39.87 C +ATOM 23 H PHE B -2 37.417 111.324 45.490 1.00 0.00 H +ATOM 24 HA PHE B -2 36.558 110.148 42.957 1.00 0.00 H +ATOM 25 HB3 PHE B -2 39.166 111.247 44.009 1.00 0.00 H +ATOM 26 HB2 PHE B -2 38.054 112.032 42.950 1.00 0.00 H +ATOM 27 HD1 PHE B -2 37.789 111.253 40.564 1.00 0.00 H +ATOM 28 HD2 PHE B -2 40.825 109.692 43.187 1.00 0.00 H +ATOM 29 HE1 PHE B -2 39.001 110.406 38.634 1.00 0.00 H +ATOM 30 HE2 PHE B -2 42.112 108.899 41.182 1.00 0.00 H +ATOM 31 HZ PHE B -2 41.174 109.282 38.898 1.00 0.00 H +ATOM 32 N GLN B -1 37.341 107.787 43.104 1.00 39.33 N +ATOM 33 CA GLN B -1 37.641 106.348 43.252 1.00 45.01 C +ATOM 34 C GLN B -1 38.384 105.792 42.042 1.00 40.50 C +ATOM 35 O GLN B -1 38.562 104.569 41.856 1.00 37.45 O +ATOM 36 CB GLN B -1 36.326 105.573 43.519 1.00 40.83 C +ATOM 37 CG GLN B -1 35.627 106.126 44.779 1.00 49.11 C +ATOM 38 CD GLN B -1 34.666 105.090 45.416 1.00 48.36 C +ATOM 39 OE1 GLN B -1 34.151 104.198 44.733 1.00 49.71 O +ATOM 40 NE2 GLN B -1 34.447 105.208 46.723 1.00 42.28 N +ATOM 41 H GLN B -1 36.721 108.052 42.352 1.00 0.00 H +ATOM 42 HA GLN B -1 38.284 106.228 44.124 1.00 0.00 H +ATOM 43 HB3 GLN B -1 36.550 104.516 43.663 1.00 0.00 H +ATOM 44 HB2 GLN B -1 35.662 105.677 42.661 1.00 0.00 H +ATOM 45 HG3 GLN B -1 35.069 107.026 44.519 1.00 0.00 H +ATOM 46 HG2 GLN B -1 36.379 106.421 45.511 1.00 0.00 H +ATOM 47 HE22 GLN B -1 33.830 104.561 47.192 1.00 0.00 H +ATOM 48 HE21 GLN B -1 34.898 105.945 47.246 1.00 0.00 H +ATOM 49 N GLY B 0 38.866 106.692 41.206 1.00 31.95 N +ATOM 50 CA GLY B 0 39.572 106.337 40.016 1.00 36.96 C +ATOM 51 C GLY B 0 38.876 106.964 38.836 1.00 34.44 C +ATOM 52 O GLY B 0 37.814 107.531 38.958 1.00 32.67 O +ATOM 53 H GLY B 0 38.742 107.676 41.397 1.00 0.00 H +ATOM 54 HA3 GLY B 0 39.572 105.253 39.904 1.00 0.00 H +ATOM 55 HA2 GLY B 0 40.594 106.711 40.075 1.00 0.00 H +ATOM 56 N MET B 1 39.484 106.820 37.685 1.00 35.48 N +ATOM 57 CA MET B 1 39.156 107.623 36.538 1.00 33.36 C +ATOM 58 C MET B 1 37.675 107.297 36.162 1.00 31.70 C +ATOM 59 O MET B 1 37.163 106.214 36.402 1.00 33.95 O +ATOM 60 CB MET B 1 40.169 107.327 35.425 1.00 41.11 C +ATOM 61 CG MET B 1 40.104 105.945 34.808 1.00 50.02 C +ATOM 62 SD MET B 1 40.685 104.255 35.332 1.00 55.86 S +ATOM 63 CE MET B 1 42.234 104.595 36.135 1.00 63.52 C +ATOM 64 H MET B 1 40.211 106.126 37.581 1.00 0.00 H +ATOM 65 HA MET B 1 39.228 108.676 36.811 1.00 0.00 H +ATOM 66 HB3 MET B 1 41.177 107.506 35.800 1.00 0.00 H +ATOM 67 HB2 MET B 1 40.069 108.076 34.640 1.00 0.00 H +ATOM 68 HG3 MET B 1 40.378 106.058 33.759 1.00 0.00 H +ATOM 69 HG2 MET B 1 39.092 105.822 34.424 1.00 0.00 H +ATOM 70 HE1 MET B 1 42.673 103.662 36.489 1.00 0.00 H +ATOM 71 HE2 MET B 1 42.914 105.071 35.428 1.00 0.00 H +ATOM 72 HE3 MET B 1 42.067 105.261 36.981 1.00 0.00 H +ATOM 73 N THR B 2 37.035 108.244 35.501 1.00 27.47 N +ATOM 74 CA THR B 2 35.681 107.958 34.962 1.00 28.50 C +ATOM 75 C THR B 2 35.774 107.035 33.765 1.00 27.23 C +ATOM 76 O THR B 2 36.636 107.270 32.917 1.00 29.64 O +ATOM 77 CB THR B 2 35.100 109.295 34.624 1.00 32.84 C +ATOM 78 OG1 THR B 2 34.958 109.898 35.910 1.00 35.43 O +ATOM 79 CG2 THR B 2 33.733 109.286 34.014 1.00 32.77 C +ATOM 80 H THR B 2 37.467 109.147 35.368 1.00 0.00 H +ATOM 81 HA THR B 2 35.076 107.486 35.736 1.00 0.00 H +ATOM 82 HB THR B 2 35.791 109.868 34.006 1.00 0.00 H +ATOM 83 HG1 THR B 2 34.586 110.778 35.812 1.00 0.00 H +ATOM 84 HG21 THR B 2 33.418 110.310 33.813 1.00 0.00 H +ATOM 85 HG22 THR B 2 33.755 108.723 33.081 1.00 0.00 H +ATOM 86 HG23 THR B 2 33.030 108.818 34.703 1.00 0.00 H +ATOM 87 N GLU B 3 34.850 106.100 33.672 1.00 25.27 N +ATOM 88 CA GLU B 3 34.788 105.190 32.548 1.00 24.37 C +ATOM 89 C GLU B 3 33.621 105.629 31.637 1.00 25.57 C +ATOM 90 O GLU B 3 32.578 106.036 32.103 1.00 27.77 O +ATOM 91 CB GLU B 3 34.625 103.786 33.036 1.00 28.88 C +ATOM 92 CG GLU B 3 34.683 102.752 31.875 1.00 34.68 C +ATOM 93 CD GLU B 3 34.734 101.280 32.219 1.00 50.53 C +ATOM 94 OE1 GLU B 3 35.776 100.652 31.884 1.00 57.22 O +ATOM 95 OE2 GLU B 3 33.731 100.735 32.706 1.00 53.57 O1- +ATOM 96 H GLU B 3 34.156 106.002 34.399 1.00 0.00 H +ATOM 97 HA GLU B 3 35.719 105.261 31.986 1.00 0.00 H +ATOM 98 HB3 GLU B 3 33.673 103.692 33.558 1.00 0.00 H +ATOM 99 HB2 GLU B 3 35.407 103.561 33.761 1.00 0.00 H +ATOM 100 HG3 GLU B 3 35.522 102.995 31.223 1.00 0.00 H +ATOM 101 HG2 GLU B 3 33.849 102.931 31.197 1.00 0.00 H +ATOM 102 N TYR B 4 33.866 105.579 30.331 1.00 22.40 N +ATOM 103 CA TYR B 4 32.799 105.887 29.320 1.00 21.59 C +ATOM 104 C TYR B 4 32.638 104.626 28.480 1.00 23.54 C +ATOM 105 O TYR B 4 33.619 104.134 27.920 1.00 22.31 O +ATOM 106 CB TYR B 4 33.186 107.053 28.501 1.00 21.12 C +ATOM 107 CG TYR B 4 33.303 108.362 29.224 1.00 22.99 C +ATOM 108 CD1 TYR B 4 32.177 109.072 29.585 1.00 27.25 C +ATOM 109 CD2 TYR B 4 34.509 108.849 29.696 1.00 26.83 C +ATOM 110 CE1 TYR B 4 32.252 110.270 30.290 1.00 31.52 C +ATOM 111 CE2 TYR B 4 34.593 110.052 30.403 1.00 30.06 C +ATOM 112 CZ TYR B 4 33.478 110.763 30.673 1.00 31.94 C +ATOM 113 OH TYR B 4 33.573 111.947 31.420 1.00 28.50 O +ATOM 114 H TYR B 4 34.787 105.329 29.999 1.00 0.00 H +ATOM 115 HA TYR B 4 31.863 106.101 29.835 1.00 0.00 H +ATOM 116 HB3 TYR B 4 32.484 107.161 27.674 1.00 0.00 H +ATOM 117 HB2 TYR B 4 34.126 106.839 27.992 1.00 0.00 H +ATOM 118 HD1 TYR B 4 31.197 108.702 29.321 1.00 0.00 H +ATOM 119 HD2 TYR B 4 35.420 108.296 29.522 1.00 0.00 H +ATOM 120 HE1 TYR B 4 31.349 110.810 30.535 1.00 0.00 H +ATOM 121 HE2 TYR B 4 35.553 110.417 30.736 1.00 0.00 H +ATOM 122 HH TYR B 4 34.496 112.141 31.597 1.00 0.00 H +ATOM 123 N LYS B 5 31.399 104.140 28.353 1.00 21.36 N +ATOM 124 CA LYS B 5 31.128 102.956 27.541 1.00 22.13 C +ATOM 125 C LYS B 5 30.689 103.427 26.126 1.00 23.52 C +ATOM 126 O LYS B 5 29.621 104.012 25.959 1.00 21.49 O +ATOM 127 CB LYS B 5 30.026 102.161 28.205 1.00 27.08 C +ATOM 128 CG LYS B 5 30.481 101.576 29.538 1.00 31.23 C +ATOM 129 CD LYS B 5 29.370 100.980 30.385 1.00 45.53 C +ATOM 130 CE LYS B 5 30.011 100.277 31.603 1.00 51.58 C +ATOM 131 NZ LYS B 5 30.970 99.186 31.257 1.00 55.28 N1+ +ATOM 132 H LYS B 5 30.628 104.593 28.823 1.00 0.00 H +ATOM 133 HA LYS B 5 32.028 102.347 27.465 1.00 0.00 H +ATOM 134 HB3 LYS B 5 29.712 101.354 27.543 1.00 0.00 H +ATOM 135 HB2 LYS B 5 29.162 102.805 28.368 1.00 0.00 H +ATOM 136 HG3 LYS B 5 30.999 102.345 30.111 1.00 0.00 H +ATOM 137 HG2 LYS B 5 31.243 100.818 29.358 1.00 0.00 H +ATOM 138 HD3 LYS B 5 28.816 100.250 29.795 1.00 0.00 H +ATOM 139 HD2 LYS B 5 28.711 101.776 30.731 1.00 0.00 H +ATOM 140 HE3 LYS B 5 29.225 99.877 32.244 1.00 0.00 H +ATOM 141 HE2 LYS B 5 30.516 101.018 32.223 1.00 0.00 H +ATOM 142 HZ1 LYS B 5 31.341 98.782 32.105 1.00 0.00 H +ATOM 143 HZ2 LYS B 5 30.492 98.473 30.726 1.00 0.00 H +ATOM 144 HZ3 LYS B 5 31.727 99.565 30.706 1.00 0.00 H +ATOM 145 N LEU B 6 31.565 103.223 25.154 1.00 18.29 N +ATOM 146 CA LEU B 6 31.396 103.719 23.804 1.00 17.60 C +ATOM 147 C LEU B 6 31.123 102.503 22.922 1.00 18.87 C +ATOM 148 O LEU B 6 31.705 101.460 23.123 1.00 20.95 O +ATOM 149 CB LEU B 6 32.631 104.424 23.313 1.00 18.61 C +ATOM 150 CG LEU B 6 33.153 105.536 24.222 1.00 21.23 C +ATOM 151 CD1 LEU B 6 34.370 106.205 23.500 1.00 21.06 C +ATOM 152 CD2 LEU B 6 32.157 106.506 24.677 1.00 21.28 C +ATOM 153 H LEU B 6 32.407 102.696 25.335 1.00 0.00 H +ATOM 154 HA LEU B 6 30.545 104.399 23.766 1.00 0.00 H +ATOM 155 HB3 LEU B 6 32.443 104.830 22.319 1.00 0.00 H +ATOM 156 HB2 LEU B 6 33.422 103.692 23.148 1.00 0.00 H +ATOM 157 HG LEU B 6 33.547 105.051 25.115 1.00 0.00 H +ATOM 158 HD11 LEU B 6 34.768 107.006 24.124 1.00 0.00 H +ATOM 159 HD12 LEU B 6 35.146 105.459 23.328 1.00 0.00 H +ATOM 160 HD13 LEU B 6 34.045 106.617 22.545 1.00 0.00 H +ATOM 161 HD21 LEU B 6 32.637 107.248 25.315 1.00 0.00 H +ATOM 162 HD22 LEU B 6 31.712 107.002 23.815 1.00 0.00 H +ATOM 163 HD23 LEU B 6 31.379 105.991 25.241 1.00 0.00 H +ATOM 164 N VAL B 7 30.182 102.637 22.000 1.00 17.98 N +ATOM 165 CA VAL B 7 29.827 101.576 21.049 1.00 16.00 C +ATOM 166 C VAL B 7 29.974 102.097 19.643 1.00 16.50 C +ATOM 167 O VAL B 7 29.491 103.183 19.310 1.00 18.04 O +ATOM 168 CB VAL B 7 28.363 101.123 21.275 1.00 18.76 C +ATOM 169 CG1 VAL B 7 28.060 99.951 20.395 1.00 19.17 C +ATOM 170 CG2 VAL B 7 28.141 100.677 22.723 1.00 21.52 C +ATOM 171 H VAL B 7 29.667 103.503 21.926 1.00 0.00 H +ATOM 172 HA VAL B 7 30.494 100.726 21.191 1.00 0.00 H +ATOM 173 HB VAL B 7 27.686 101.943 21.037 1.00 0.00 H +ATOM 174 HG11 VAL B 7 27.030 99.633 20.555 1.00 0.00 H +ATOM 175 HG12 VAL B 7 28.194 100.235 19.351 1.00 0.00 H +ATOM 176 HG13 VAL B 7 28.735 99.130 20.637 1.00 0.00 H +ATOM 177 HG21 VAL B 7 27.105 100.364 22.853 1.00 0.00 H +ATOM 178 HG22 VAL B 7 28.803 99.842 22.952 1.00 0.00 H +ATOM 179 HG23 VAL B 7 28.357 101.507 23.396 1.00 0.00 H +ATOM 180 N VAL B 8 30.648 101.313 18.788 1.00 17.13 N +ATOM 181 CA VAL B 8 30.859 101.707 17.453 1.00 16.17 C +ATOM 182 C VAL B 8 29.927 100.837 16.546 1.00 17.08 C +ATOM 183 O VAL B 8 30.034 99.616 16.583 1.00 17.75 O +ATOM 184 CB VAL B 8 32.324 101.436 17.030 1.00 17.38 C +ATOM 185 CG1 VAL B 8 32.577 102.008 15.660 1.00 17.80 C +ATOM 186 CG2 VAL B 8 33.253 102.087 18.012 1.00 18.66 C +ATOM 187 H VAL B 8 31.013 100.424 19.099 1.00 0.00 H +ATOM 188 HA VAL B 8 30.622 102.764 17.331 1.00 0.00 H +ATOM 189 HB VAL B 8 32.505 100.361 17.015 1.00 0.00 H +ATOM 190 HG11 VAL B 8 33.609 101.813 15.369 1.00 0.00 H +ATOM 191 HG12 VAL B 8 31.904 101.542 14.941 1.00 0.00 H +ATOM 192 HG13 VAL B 8 32.401 103.084 15.677 1.00 0.00 H +ATOM 193 HG21 VAL B 8 34.285 101.898 17.717 1.00 0.00 H +ATOM 194 HG22 VAL B 8 33.071 103.162 18.028 1.00 0.00 H +ATOM 195 HG23 VAL B 8 33.079 101.675 19.006 1.00 0.00 H +ATOM 196 N VAL B 9 29.050 101.511 15.819 1.00 15.38 N +ATOM 197 CA VAL B 9 28.036 100.845 14.973 1.00 17.74 C +ATOM 198 C VAL B 9 28.097 101.364 13.570 1.00 17.03 C +ATOM 199 O VAL B 9 28.643 102.438 13.261 1.00 16.77 O +ATOM 200 CB VAL B 9 26.581 101.013 15.496 1.00 18.41 C +ATOM 201 CG1 VAL B 9 26.486 100.471 16.914 1.00 22.15 C +ATOM 202 CG2 VAL B 9 26.102 102.484 15.374 1.00 21.04 C +ATOM 203 H VAL B 9 29.056 102.521 15.828 1.00 0.00 H +ATOM 204 HA VAL B 9 28.265 99.780 14.949 1.00 0.00 H +ATOM 205 HB VAL B 9 25.933 100.403 14.867 1.00 0.00 H +ATOM 206 HG11 VAL B 9 25.466 100.589 17.281 1.00 0.00 H +ATOM 207 HG12 VAL B 9 26.754 99.414 16.918 1.00 0.00 H +ATOM 208 HG13 VAL B 9 27.170 101.021 17.560 1.00 0.00 H +ATOM 209 HG21 VAL B 9 25.082 102.567 15.748 1.00 0.00 H +ATOM 210 HG22 VAL B 9 26.757 103.130 15.960 1.00 0.00 H +ATOM 211 HG23 VAL B 9 26.131 102.791 14.328 1.00 0.00 H +ATOM 212 N GLY B 10 27.523 100.568 12.640 1.00 16.99 N +ATOM 213 CA GLY B 10 27.484 100.963 11.280 1.00 16.40 C +ATOM 214 C GLY B 10 27.544 99.735 10.374 1.00 15.01 C +ATOM 215 O GLY B 10 27.821 98.605 10.875 1.00 16.67 O +ATOM 216 H GLY B 10 27.118 99.684 12.913 1.00 0.00 H +ATOM 217 HA3 GLY B 10 28.332 101.614 11.066 1.00 0.00 H +ATOM 218 HA2 GLY B 10 26.562 101.511 11.088 1.00 0.00 H +ATOM 219 N ALA B 11 27.302 99.933 9.082 1.00 16.65 N +ATOM 220 CA ALA B 11 27.228 98.806 8.139 1.00 18.57 C +ATOM 221 C ALA B 11 28.491 97.980 8.058 1.00 21.56 C +ATOM 222 O ALA B 11 29.586 98.453 8.390 1.00 18.37 O +ATOM 223 CB ALA B 11 26.852 99.338 6.761 1.00 18.48 C +ATOM 224 H ALA B 11 27.165 100.870 8.732 1.00 0.00 H +ATOM 225 HA ALA B 11 26.424 98.149 8.471 1.00 0.00 H +ATOM 226 HB1 ALA B 11 26.795 98.510 6.055 1.00 0.00 H +ATOM 227 HB2 ALA B 11 25.884 99.837 6.815 1.00 0.00 H +ATOM 228 HB3 ALA B 11 27.608 100.048 6.427 1.00 0.00 H +ATOM 229 N GLY B 12 28.369 96.733 7.585 1.00 20.75 N +ATOM 230 CA GLY B 12 29.541 95.904 7.378 1.00 19.78 C +ATOM 231 C GLY B 12 30.575 96.520 6.450 1.00 18.34 C +ATOM 232 O GLY B 12 30.281 97.063 5.422 1.00 20.58 O +ATOM 233 H GLY B 12 27.455 96.362 7.369 1.00 0.00 H +ATOM 234 HA3 GLY B 12 29.234 94.935 6.984 1.00 0.00 H +ATOM 235 HA2 GLY B 12 30.004 95.685 8.340 1.00 0.00 H +ATOM 236 N GLY B 13 31.825 96.504 6.900 1.00 17.86 N +ATOM 237 CA GLY B 13 32.914 96.960 6.082 1.00 18.41 C +ATOM 238 C GLY B 13 33.211 98.458 6.037 1.00 19.34 C +ATOM 239 O GLY B 13 34.089 98.880 5.278 1.00 19.08 O +ATOM 240 H GLY B 13 32.022 96.167 7.832 1.00 0.00 H +ATOM 241 HA3 GLY B 13 32.774 96.594 5.065 1.00 0.00 H +ATOM 242 HA2 GLY B 13 33.821 96.425 6.365 1.00 0.00 H +ATOM 243 N VAL B 14 32.536 99.244 6.856 1.00 16.48 N +ATOM 244 CA VAL B 14 32.732 100.698 6.836 1.00 15.27 C +ATOM 245 C VAL B 14 34.032 101.126 7.558 1.00 15.09 C +ATOM 246 O VAL B 14 34.468 102.238 7.321 1.00 16.72 O +ATOM 247 CB VAL B 14 31.548 101.496 7.438 1.00 16.57 C +ATOM 248 CG1 VAL B 14 30.315 101.273 6.604 1.00 17.97 C +ATOM 249 CG2 VAL B 14 31.317 101.184 8.902 1.00 15.90 C +ATOM 250 H VAL B 14 31.875 98.846 7.507 1.00 0.00 H +ATOM 251 HA VAL B 14 32.827 100.998 5.792 1.00 0.00 H +ATOM 252 HB VAL B 14 31.801 102.554 7.368 1.00 0.00 H +ATOM 253 HG11 VAL B 14 29.483 101.835 7.028 1.00 0.00 H +ATOM 254 HG12 VAL B 14 30.499 101.612 5.584 1.00 0.00 H +ATOM 255 HG13 VAL B 14 30.069 100.211 6.595 1.00 0.00 H +ATOM 256 HG21 VAL B 14 30.476 101.771 9.271 1.00 0.00 H +ATOM 257 HG22 VAL B 14 31.097 100.123 9.018 1.00 0.00 H +ATOM 258 HG23 VAL B 14 32.212 101.433 9.473 1.00 0.00 H +ATOM 259 N GLY B 15 34.607 100.235 8.340 1.00 16.03 N +ATOM 260 CA GLY B 15 35.836 100.494 9.086 1.00 16.02 C +ATOM 261 C GLY B 15 35.715 100.705 10.551 1.00 15.75 C +ATOM 262 O GLY B 15 36.580 101.339 11.165 1.00 15.88 O +ATOM 263 H GLY B 15 34.198 99.318 8.447 1.00 0.00 H +ATOM 264 HA3 GLY B 15 36.351 101.347 8.643 1.00 0.00 H +ATOM 265 HA2 GLY B 15 36.545 99.688 8.898 1.00 0.00 H +ATOM 266 N LYS B 16 34.660 100.143 11.185 1.00 14.79 N +ATOM 267 CA LYS B 16 34.504 100.178 12.634 1.00 15.94 C +ATOM 268 C LYS B 16 35.729 99.638 13.364 1.00 17.15 C +ATOM 269 O LYS B 16 36.291 100.282 14.259 1.00 15.76 O +ATOM 270 CB LYS B 16 33.246 99.437 13.068 1.00 14.11 C +ATOM 271 CG LYS B 16 32.010 100.023 12.442 1.00 16.13 C +ATOM 272 CD LYS B 16 30.755 99.315 12.910 1.00 17.55 C +ATOM 273 CE LYS B 16 30.676 97.874 12.509 1.00 19.40 C +ATOM 274 NZ LYS B 16 30.669 97.666 11.064 1.00 18.13 N1+ +ATOM 275 H LYS B 16 33.941 99.676 10.652 1.00 0.00 H +ATOM 276 HA LYS B 16 34.385 101.222 12.924 1.00 0.00 H +ATOM 277 HB3 LYS B 16 33.157 99.478 14.154 1.00 0.00 H +ATOM 278 HB2 LYS B 16 33.330 98.386 12.790 1.00 0.00 H +ATOM 279 HG3 LYS B 16 32.084 99.951 11.357 1.00 0.00 H +ATOM 280 HG2 LYS B 16 31.944 101.082 12.692 1.00 0.00 H +ATOM 281 HD3 LYS B 16 29.880 99.844 12.532 1.00 0.00 H +ATOM 282 HD2 LYS B 16 30.680 99.393 13.995 1.00 0.00 H +ATOM 283 HE3 LYS B 16 29.782 97.426 12.943 1.00 0.00 H +ATOM 284 HE2 LYS B 16 31.512 97.330 12.949 1.00 0.00 H +ATOM 285 HZ1 LYS B 16 30.615 96.677 10.866 1.00 0.00 H +ATOM 286 HZ2 LYS B 16 29.871 98.134 10.660 1.00 0.00 H +ATOM 287 HZ3 LYS B 16 31.517 98.043 10.665 1.00 0.00 H +ATOM 288 N SER B 17 36.178 98.457 12.971 1.00 14.51 N +ATOM 289 CA SER B 17 37.315 97.814 13.605 1.00 17.31 C +ATOM 290 C SER B 17 38.599 98.545 13.287 1.00 17.13 C +ATOM 291 O SER B 17 39.387 98.784 14.199 1.00 15.71 O +ATOM 292 CB SER B 17 37.450 96.341 13.179 1.00 18.28 C +ATOM 293 OG SER B 17 36.277 95.637 13.638 1.00 19.44 O +ATOM 294 H SER B 17 35.727 97.974 12.207 1.00 0.00 H +ATOM 295 HA SER B 17 37.165 97.844 14.684 1.00 0.00 H +ATOM 296 HB3 SER B 17 38.337 95.909 13.642 1.00 0.00 H +ATOM 297 HB2 SER B 17 37.507 96.281 12.092 1.00 0.00 H +ATOM 298 HG SER B 17 36.338 94.713 13.384 1.00 0.00 H +ATOM 299 N ALA B 18 38.769 98.941 12.066 1.00 15.45 N +ATOM 300 CA ALA B 18 39.967 99.660 11.640 1.00 18.17 C +ATOM 301 C ALA B 18 40.104 100.972 12.447 1.00 19.96 C +ATOM 302 O ALA B 18 41.212 101.321 12.907 1.00 15.82 O +ATOM 303 CB ALA B 18 39.996 99.941 10.178 1.00 17.18 C +ATOM 304 H ALA B 18 38.060 98.755 11.371 1.00 0.00 H +ATOM 305 HA ALA B 18 40.829 99.035 11.874 1.00 0.00 H +ATOM 306 HB1 ALA B 18 40.912 100.477 9.929 1.00 0.00 H +ATOM 307 HB2 ALA B 18 39.964 99.002 9.626 1.00 0.00 H +ATOM 308 HB3 ALA B 18 39.134 100.551 9.907 1.00 0.00 H +ATOM 309 N LEU B 19 38.992 101.693 12.636 1.00 15.45 N +ATOM 310 CA LEU B 19 39.055 102.901 13.480 1.00 16.78 C +ATOM 311 C LEU B 19 39.468 102.602 14.882 1.00 17.19 C +ATOM 312 O LEU B 19 40.322 103.318 15.459 1.00 16.90 O +ATOM 313 CB LEU B 19 37.649 103.612 13.480 1.00 17.13 C +ATOM 314 CG LEU B 19 37.317 104.335 12.246 1.00 18.95 C +ATOM 315 CD1 LEU B 19 35.854 104.683 12.202 1.00 22.45 C +ATOM 316 CD2 LEU B 19 38.198 105.607 12.098 1.00 20.63 C +ATOM 317 H LEU B 19 38.125 101.407 12.203 1.00 0.00 H +ATOM 318 HA LEU B 19 39.785 103.585 13.046 1.00 0.00 H +ATOM 319 HB3 LEU B 19 37.592 104.297 14.326 1.00 0.00 H +ATOM 320 HB2 LEU B 19 36.873 102.875 13.686 1.00 0.00 H +ATOM 321 HG LEU B 19 37.532 103.678 11.403 1.00 0.00 H +ATOM 322 HD11 LEU B 19 35.635 105.218 11.278 1.00 0.00 H +ATOM 323 HD12 LEU B 19 35.261 103.769 12.242 1.00 0.00 H +ATOM 324 HD13 LEU B 19 35.604 105.314 13.055 1.00 0.00 H +ATOM 325 HD21 LEU B 19 37.935 106.127 11.177 1.00 0.00 H +ATOM 326 HD22 LEU B 19 38.029 106.268 12.948 1.00 0.00 H +ATOM 327 HD23 LEU B 19 39.249 105.320 12.065 1.00 0.00 H +ATOM 328 N THR B 20 38.909 101.552 15.484 1.00 15.52 N +ATOM 329 CA THR B 20 39.180 101.252 16.857 1.00 18.17 C +ATOM 330 C THR B 20 40.631 100.791 17.048 1.00 18.11 C +ATOM 331 O THR B 20 41.283 101.214 17.983 1.00 17.19 O +ATOM 332 CB THR B 20 38.210 100.199 17.347 1.00 19.44 C +ATOM 333 OG1 THR B 20 36.851 100.709 17.189 1.00 19.96 O +ATOM 334 CG2 THR B 20 38.452 99.846 18.807 1.00 19.63 C +ATOM 335 H THR B 20 38.281 100.951 14.970 1.00 0.00 H +ATOM 336 HA THR B 20 39.028 102.158 17.443 1.00 0.00 H +ATOM 337 HB THR B 20 38.325 99.301 16.741 1.00 0.00 H +ATOM 338 HG1 THR B 20 36.224 100.050 17.496 1.00 0.00 H +ATOM 339 HG21 THR B 20 37.736 99.087 19.121 1.00 0.00 H +ATOM 340 HG22 THR B 20 39.465 99.460 18.925 1.00 0.00 H +ATOM 341 HG23 THR B 20 38.329 100.737 19.422 1.00 0.00 H +ATOM 342 N ILE B 21 41.088 99.935 16.147 1.00 15.38 N +ATOM 343 CA AILE B 21 42.472 99.441 16.231 0.50 16.34 C +ATOM 344 CA BILE B 21 42.472 99.441 16.231 0.50 16.34 C +ATOM 345 C ILE B 21 43.481 100.562 15.965 1.00 17.28 C +ATOM 346 O ILE B 21 44.543 100.605 16.611 1.00 17.56 O +ATOM 347 CB AILE B 21 42.648 98.225 15.312 0.50 17.26 C +ATOM 348 CB BILE B 21 42.648 98.225 15.312 0.50 17.26 C +ATOM 349 CG1AILE B 21 41.793 97.053 15.824 0.50 18.52 C +ATOM 350 CG1BILE B 21 41.793 97.053 15.824 0.50 18.51 C +ATOM 351 CG2AILE B 21 44.122 97.831 15.223 0.50 19.33 C +ATOM 352 CG2BILE B 21 44.122 97.831 15.223 0.50 19.32 C +ATOM 353 CD1AILE B 21 41.516 95.949 14.797 0.50 21.70 C +ATOM 354 CD1BILE B 21 41.516 95.949 14.797 0.50 21.69 C +ATOM 355 H ILE B 21 40.486 99.619 15.400 1.00 0.00 H +ATOM 356 HA AILE B 21 42.631 99.099 17.254 0.50 0.00 H +ATOM 357 HA BILE B 21 42.631 99.099 17.254 0.50 0.00 H +ATOM 358 HB AILE B 21 42.302 98.494 14.314 0.50 0.00 H +ATOM 359 HB BILE B 21 42.302 98.494 14.314 0.50 0.00 H +ATOM 360 HG13AILE B 21 40.846 97.437 16.205 0.50 0.00 H +ATOM 361 HG13BILE B 21 40.846 97.437 16.205 0.50 0.00 H +ATOM 362 HG12AILE B 21 42.269 96.617 16.703 0.50 0.00 H +ATOM 363 HG12BILE B 21 42.269 96.617 16.703 0.50 0.00 H +ATOM 364 HG21AILE B 21 44.229 96.967 14.567 0.50 0.00 H +ATOM 365 HG21BILE B 21 44.229 96.967 14.567 0.50 0.00 H +ATOM 366 HG22AILE B 21 44.698 98.665 14.821 0.50 0.00 H +ATOM 367 HG22BILE B 21 44.698 98.665 14.821 0.50 0.00 H +ATOM 368 HG23AILE B 21 44.492 97.580 16.217 0.50 0.00 H +ATOM 369 HG23BILE B 21 44.492 97.580 16.217 0.50 0.00 H +ATOM 370 HD11AILE B 21 40.906 95.170 15.255 0.50 0.00 H +ATOM 371 HD11BILE B 21 40.906 95.170 15.255 0.50 0.00 H +ATOM 372 HD12AILE B 21 40.984 96.371 13.944 0.50 0.00 H +ATOM 373 HD12BILE B 21 40.984 96.371 13.944 0.50 0.00 H +ATOM 374 HD13AILE B 21 42.460 95.520 14.460 0.50 0.00 H +ATOM 375 HD13BILE B 21 42.460 95.520 14.460 0.50 0.00 H +ATOM 376 N GLN B 22 43.165 101.494 15.096 1.00 15.61 N +ATOM 377 CA GLN B 22 44.040 102.705 14.922 1.00 17.03 C +ATOM 378 C GLN B 22 44.089 103.466 16.230 1.00 18.65 C +ATOM 379 O GLN B 22 45.195 103.825 16.695 1.00 18.46 O +ATOM 380 CB GLN B 22 43.541 103.523 13.761 1.00 17.37 C +ATOM 381 CG GLN B 22 44.353 104.710 13.378 1.00 21.73 C +ATOM 382 CD GLN B 22 45.815 104.315 12.986 1.00 20.91 C +ATOM 383 OE1 GLN B 22 46.684 104.588 13.791 1.00 23.16 O +ATOM 384 NE2 GLN B 22 46.058 103.829 11.772 1.00 21.23 N +ATOM 385 H GLN B 22 42.328 101.401 14.538 1.00 0.00 H +ATOM 386 HA GLN B 22 45.049 102.365 14.689 1.00 0.00 H +ATOM 387 HB3 GLN B 22 42.516 103.838 13.958 1.00 0.00 H +ATOM 388 HB2 GLN B 22 43.420 102.876 12.892 1.00 0.00 H +ATOM 389 HG3 GLN B 22 44.378 105.415 14.209 1.00 0.00 H +ATOM 390 HG2 GLN B 22 43.878 105.219 12.540 1.00 0.00 H +ATOM 391 HE22 GLN B 22 46.999 103.571 11.510 1.00 0.00 H +ATOM 392 HE21 GLN B 22 45.302 103.718 11.112 1.00 0.00 H +ATOM 393 N LEU B 23 42.945 103.667 16.912 1.00 17.81 N +ATOM 394 CA LEU B 23 42.947 104.354 18.177 1.00 19.92 C +ATOM 395 C LEU B 23 43.812 103.603 19.223 1.00 21.25 C +ATOM 396 O LEU B 23 44.583 104.244 19.939 1.00 23.07 O +ATOM 397 CB LEU B 23 41.534 104.490 18.718 1.00 18.52 C +ATOM 398 CG LEU B 23 41.416 105.262 20.048 1.00 21.88 C +ATOM 399 CD1 LEU B 23 41.508 106.759 19.838 1.00 23.86 C +ATOM 400 CD2 LEU B 23 40.112 104.856 20.742 1.00 22.36 C +ATOM 401 H LEU B 23 42.068 103.334 16.537 1.00 0.00 H +ATOM 402 HA LEU B 23 43.363 105.351 18.032 1.00 0.00 H +ATOM 403 HB3 LEU B 23 41.096 103.499 18.836 1.00 0.00 H +ATOM 404 HB2 LEU B 23 40.905 104.968 17.967 1.00 0.00 H +ATOM 405 HG LEU B 23 42.246 104.960 20.687 1.00 0.00 H +ATOM 406 HD11 LEU B 23 41.421 107.267 20.798 1.00 0.00 H +ATOM 407 HD12 LEU B 23 42.468 107.004 19.384 1.00 0.00 H +ATOM 408 HD13 LEU B 23 40.702 107.084 19.181 1.00 0.00 H +ATOM 409 HD21 LEU B 23 40.018 105.396 21.684 1.00 0.00 H +ATOM 410 HD22 LEU B 23 39.266 105.099 20.099 1.00 0.00 H +ATOM 411 HD23 LEU B 23 40.123 103.784 20.938 1.00 0.00 H +ATOM 412 N ILE B 24 43.634 102.298 19.376 1.00 18.53 N +ATOM 413 CA ILE B 24 44.219 101.521 20.455 1.00 21.48 C +ATOM 414 C ILE B 24 45.702 101.201 20.172 1.00 22.99 C +ATOM 415 O ILE B 24 46.538 101.313 21.075 1.00 24.39 O +ATOM 416 CB ILE B 24 43.450 100.228 20.682 1.00 21.62 C +ATOM 417 CG1 ILE B 24 41.969 100.506 21.083 1.00 26.23 C +ATOM 418 CG2 ILE B 24 44.104 99.319 21.725 1.00 24.80 C +ATOM 419 CD1 ILE B 24 41.723 101.255 22.340 1.00 29.62 C +ATOM 420 H ILE B 24 43.063 101.786 18.719 1.00 0.00 H +ATOM 421 HA ILE B 24 44.167 102.113 21.369 1.00 0.00 H +ATOM 422 HB ILE B 24 43.437 99.685 19.737 1.00 0.00 H +ATOM 423 HG13 ILE B 24 41.425 99.562 21.117 1.00 0.00 H +ATOM 424 HG12 ILE B 24 41.465 101.013 20.260 1.00 0.00 H +ATOM 425 HG21 ILE B 24 43.509 98.413 21.842 1.00 0.00 H +ATOM 426 HG22 ILE B 24 45.109 99.053 21.397 1.00 0.00 H +ATOM 427 HG23 ILE B 24 44.160 99.842 22.679 1.00 0.00 H +ATOM 428 HD11 ILE B 24 40.650 101.373 22.489 1.00 0.00 H +ATOM 429 HD12 ILE B 24 42.148 100.706 23.180 1.00 0.00 H +ATOM 430 HD13 ILE B 24 42.190 102.238 22.276 1.00 0.00 H +ATOM 431 N GLN B 25 45.995 100.741 18.963 1.00 20.14 N +ATOM 432 CA GLN B 25 47.317 100.171 18.645 1.00 19.71 C +ATOM 433 C GLN B 25 48.144 101.057 17.698 1.00 20.38 C +ATOM 434 O GLN B 25 49.270 100.680 17.381 1.00 21.23 O +ATOM 435 CB GLN B 25 47.101 98.810 17.991 1.00 23.08 C +ATOM 436 CG GLN B 25 46.774 97.774 19.046 1.00 32.16 C +ATOM 437 CD GLN B 25 46.966 96.414 18.453 1.00 41.27 C +ATOM 438 OE1 GLN B 25 46.201 95.999 17.602 1.00 43.55 O +ATOM 439 NE2 GLN B 25 47.995 95.711 18.879 1.00 32.87 N +ATOM 440 H GLN B 25 45.303 100.775 18.228 1.00 0.00 H +ATOM 441 HA GLN B 25 47.873 100.032 19.572 1.00 0.00 H +ATOM 442 HB3 GLN B 25 48.006 98.515 17.460 1.00 0.00 H +ATOM 443 HB2 GLN B 25 46.278 98.876 17.279 1.00 0.00 H +ATOM 444 HG3 GLN B 25 45.737 97.890 19.360 1.00 0.00 H +ATOM 445 HG2 GLN B 25 47.445 97.897 19.896 1.00 0.00 H +ATOM 446 HE22 GLN B 25 48.164 94.787 18.507 1.00 0.00 H +ATOM 447 HE21 GLN B 25 48.615 96.095 19.578 1.00 0.00 H +ATOM 448 N ASN B 26 47.592 102.182 17.200 1.00 18.07 N +ATOM 449 CA ASN B 26 48.269 102.959 16.182 1.00 19.22 C +ATOM 450 C ASN B 26 48.644 102.121 14.987 1.00 21.73 C +ATOM 451 O ASN B 26 49.677 102.311 14.378 1.00 21.08 O +ATOM 452 CB ASN B 26 49.543 103.651 16.730 1.00 22.93 C +ATOM 453 CG ASN B 26 49.257 104.795 17.597 1.00 32.04 C +ATOM 454 OD1 ASN B 26 49.282 105.924 17.161 1.00 32.80 O +ATOM 455 ND2 ASN B 26 49.026 104.512 18.867 1.00 46.45 N +ATOM 456 H ASN B 26 46.693 102.495 17.537 1.00 0.00 H +ATOM 457 HA ASN B 26 47.584 103.737 15.844 1.00 0.00 H +ATOM 458 HB3 ASN B 26 50.165 103.976 15.896 1.00 0.00 H +ATOM 459 HB2 ASN B 26 50.143 102.924 17.277 1.00 0.00 H +ATOM 460 HD22 ASN B 26 48.822 105.254 19.521 1.00 0.00 H +ATOM 461 HD21 ASN B 26 49.054 103.553 19.184 1.00 0.00 H +ATOM 462 N HIS B 27 47.753 101.219 14.573 1.00 17.28 N +ATOM 463 CA HIS B 27 47.984 100.260 13.550 1.00 19.10 C +ATOM 464 C HIS B 27 46.804 100.276 12.583 1.00 19.10 C +ATOM 465 O HIS B 27 45.652 100.274 13.043 1.00 18.11 O +ATOM 466 CB HIS B 27 48.108 98.860 14.191 1.00 18.67 C +ATOM 467 CG HIS B 27 48.318 97.762 13.212 1.00 19.36 C +ATOM 468 ND1 HIS B 27 49.392 97.731 12.348 1.00 23.17 N +ATOM 469 CD2 HIS B 27 47.560 96.674 12.900 1.00 23.29 C +ATOM 470 CE1 HIS B 27 49.280 96.674 11.550 1.00 25.00 C +ATOM 471 NE2 HIS B 27 48.182 96.003 11.889 1.00 22.88 N +ATOM 472 H HIS B 27 46.836 101.185 14.994 1.00 0.00 H +ATOM 473 HA HIS B 27 48.902 100.504 13.016 1.00 0.00 H +ATOM 474 HB3 HIS B 27 47.215 98.652 14.781 1.00 0.00 H +ATOM 475 HB2 HIS B 27 48.926 98.863 14.911 1.00 0.00 H +ATOM 476 HD1 HIS B 27 50.100 98.449 12.397 1.00 0.00 H +ATOM 477 HD2 HIS B 27 46.642 96.484 13.436 1.00 0.00 H +ATOM 478 HE1 HIS B 27 50.022 96.493 10.786 1.00 0.00 H +ATOM 479 N PHE B 28 47.095 100.295 11.302 1.00 17.90 N +ATOM 480 CA PHE B 28 46.131 100.187 10.258 1.00 17.35 C +ATOM 481 C PHE B 28 45.954 98.750 9.846 1.00 18.22 C +ATOM 482 O PHE B 28 46.935 98.064 9.449 1.00 22.01 O +ATOM 483 CB PHE B 28 46.445 101.046 9.038 1.00 17.79 C +ATOM 484 CG PHE B 28 45.487 100.871 7.918 1.00 19.32 C +ATOM 485 CD1 PHE B 28 44.139 101.150 8.102 1.00 19.23 C +ATOM 486 CD2 PHE B 28 45.860 100.330 6.688 1.00 20.84 C +ATOM 487 CE1 PHE B 28 43.208 100.992 7.076 1.00 21.07 C +ATOM 488 CE2 PHE B 28 44.917 100.166 5.677 1.00 22.56 C +ATOM 489 CZ PHE B 28 43.602 100.450 5.876 1.00 21.36 C +ATOM 490 H PHE B 28 48.055 100.391 11.004 1.00 0.00 H +ATOM 491 HA PHE B 28 45.177 100.530 10.660 1.00 0.00 H +ATOM 492 HB3 PHE B 28 47.453 100.824 8.689 1.00 0.00 H +ATOM 493 HB2 PHE B 28 46.470 102.095 9.332 1.00 0.00 H +ATOM 494 HD1 PHE B 28 43.786 101.500 9.061 1.00 0.00 H +ATOM 495 HD2 PHE B 28 46.885 100.036 6.516 1.00 0.00 H +ATOM 496 HE1 PHE B 28 42.182 101.295 7.226 1.00 0.00 H +ATOM 497 HE2 PHE B 28 45.223 99.805 4.706 1.00 0.00 H +ATOM 498 HZ PHE B 28 42.871 100.255 5.106 1.00 0.00 H +ATOM 499 N VAL B 29 44.703 98.273 9.956 1.00 18.74 N +ATOM 500 CA VAL B 29 44.403 96.912 9.564 1.00 20.60 C +ATOM 501 C VAL B 29 43.938 96.918 8.145 1.00 22.77 C +ATOM 502 O VAL B 29 42.847 97.450 7.848 1.00 21.33 O +ATOM 503 CB VAL B 29 43.311 96.307 10.486 1.00 24.79 C +ATOM 504 CG1 VAL B 29 43.000 94.900 10.044 1.00 28.95 C +ATOM 505 CG2 VAL B 29 43.877 96.172 11.885 1.00 31.83 C +ATOM 506 H VAL B 29 43.967 98.865 10.314 1.00 0.00 H +ATOM 507 HA VAL B 29 45.309 96.310 9.641 1.00 0.00 H +ATOM 508 HB VAL B 29 42.413 96.925 10.486 1.00 0.00 H +ATOM 509 HG11 VAL B 29 42.233 94.476 10.692 1.00 0.00 H +ATOM 510 HG12 VAL B 29 42.639 94.913 9.016 1.00 0.00 H +ATOM 511 HG13 VAL B 29 43.903 94.292 10.104 1.00 0.00 H +ATOM 512 HG21 VAL B 29 43.120 95.748 12.544 1.00 0.00 H +ATOM 513 HG22 VAL B 29 44.748 95.517 11.864 1.00 0.00 H +ATOM 514 HG23 VAL B 29 44.171 97.154 12.255 1.00 0.00 H +ATOM 515 N ASP B 30 44.714 96.334 7.239 1.00 21.80 N +ATOM 516 CA ASP B 30 44.343 96.286 5.828 1.00 28.76 C +ATOM 517 C ASP B 30 43.406 95.121 5.529 1.00 23.71 C +ATOM 518 O ASP B 30 42.602 95.188 4.581 1.00 26.53 O +ATOM 519 CB ASP B 30 45.603 96.220 4.915 1.00 31.96 C +ATOM 520 CG ASP B 30 45.228 96.164 3.441 1.00 46.14 C +ATOM 521 OD1 ASP B 30 44.783 97.220 2.882 1.00 50.40 O +ATOM 522 OD2 ASP B 30 45.279 95.022 2.866 1.00 47.84 O1- +ATOM 523 H ASP B 30 45.586 95.908 7.520 1.00 0.00 H +ATOM 524 HA ASP B 30 43.811 97.208 5.593 1.00 0.00 H +ATOM 525 HB3 ASP B 30 46.192 95.340 5.173 1.00 0.00 H +ATOM 526 HB2 ASP B 30 46.229 97.094 5.097 1.00 0.00 H +ATOM 527 N GLU B 31 43.470 94.076 6.343 1.00 27.99 N +ATOM 528 CA GLU B 31 42.632 92.878 6.186 1.00 28.49 C +ATOM 529 C GLU B 31 41.187 93.242 6.595 1.00 25.93 C +ATOM 530 O GLU B 31 40.960 94.168 7.350 1.00 22.13 O +ATOM 531 CB GLU B 31 43.144 91.729 7.070 1.00 34.36 C +ATOM 532 CG GLU B 31 44.619 91.318 6.876 1.00 50.26 C +ATOM 533 CD GLU B 31 45.703 92.281 7.485 1.00 56.10 C +ATOM 534 OE1 GLU B 31 45.407 93.153 8.381 1.00 35.53 O +ATOM 535 OE2 GLU B 31 46.877 92.149 7.014 1.00 56.32 O1- +ATOM 536 H GLU B 31 44.118 94.078 7.117 1.00 0.00 H +ATOM 537 HA GLU B 31 42.644 92.563 5.142 1.00 0.00 H +ATOM 538 HB3 GLU B 31 42.507 90.856 6.929 1.00 0.00 H +ATOM 539 HB2 GLU B 31 42.976 91.979 8.117 1.00 0.00 H +ATOM 540 HG3 GLU B 31 44.817 91.182 5.813 1.00 0.00 H +ATOM 541 HG2 GLU B 31 44.767 90.314 7.273 1.00 0.00 H +ATOM 542 N TYR B 32 40.226 92.514 6.016 1.00 22.85 N +ATOM 543 CA TYR B 32 38.830 92.637 6.342 1.00 25.72 C +ATOM 544 C TYR B 32 38.447 91.320 7.072 1.00 28.86 C +ATOM 545 O TYR B 32 38.118 90.322 6.417 1.00 26.25 O +ATOM 546 CB TYR B 32 38.012 92.946 5.079 1.00 22.62 C +ATOM 547 CG TYR B 32 36.525 93.214 5.186 1.00 20.97 C +ATOM 548 CD1 TYR B 32 35.826 93.096 6.398 1.00 25.07 C +ATOM 549 CD2 TYR B 32 35.815 93.690 4.059 1.00 24.75 C +ATOM 550 CE1 TYR B 32 34.414 93.276 6.450 1.00 23.92 C +ATOM 551 CE2 TYR B 32 34.421 93.894 4.084 1.00 28.14 C +ATOM 552 CZ TYR B 32 33.725 93.643 5.251 1.00 24.61 C +ATOM 553 OH TYR B 32 32.358 93.868 5.253 1.00 26.73 O +ATOM 554 H TYR B 32 40.465 91.834 5.309 1.00 0.00 H +ATOM 555 HA TYR B 32 38.711 93.465 7.041 1.00 0.00 H +ATOM 556 HB3 TYR B 32 38.177 92.155 4.348 1.00 0.00 H +ATOM 557 HB2 TYR B 32 38.483 93.772 4.546 1.00 0.00 H +ATOM 558 HD1 TYR B 32 36.359 92.866 7.309 1.00 0.00 H +ATOM 559 HD2 TYR B 32 36.342 93.909 3.142 1.00 0.00 H +ATOM 560 HE1 TYR B 32 33.886 93.135 7.381 1.00 0.00 H +ATOM 561 HE2 TYR B 32 33.910 94.242 3.198 1.00 0.00 H +ATOM 562 HH TYR B 32 32.071 94.103 4.368 1.00 0.00 H +ATOM 563 N ASP B 33 38.501 91.341 8.410 1.00 24.61 N +ATOM 564 CA ASP B 33 38.113 90.211 9.286 1.00 26.43 C +ATOM 565 C ASP B 33 36.813 90.564 10.001 1.00 27.60 C +ATOM 566 O ASP B 33 36.842 91.369 10.929 1.00 24.64 O +ATOM 567 CB ASP B 33 39.224 89.949 10.283 1.00 32.90 C +ATOM 568 CG ASP B 33 40.483 89.319 9.606 1.00 50.90 C +ATOM 569 OD1 ASP B 33 40.307 88.565 8.597 1.00 50.96 O +ATOM 570 OD2 ASP B 33 41.623 89.563 10.090 1.00 53.47 O1- +ATOM 571 H ASP B 33 38.824 92.169 8.889 1.00 0.00 H +ATOM 572 HA ASP B 33 37.958 89.320 8.677 1.00 0.00 H +ATOM 573 HB3 ASP B 33 38.860 89.281 11.064 1.00 0.00 H +ATOM 574 HB2 ASP B 33 39.503 90.884 10.769 1.00 0.00 H +ATOM 575 N PRO B 34 35.644 90.021 9.523 1.00 26.39 N +ATOM 576 CA PRO B 34 34.368 90.560 10.035 1.00 26.51 C +ATOM 577 C PRO B 34 34.251 90.262 11.535 1.00 25.97 C +ATOM 578 O PRO B 34 34.683 89.198 12.039 1.00 24.42 O +ATOM 579 CB PRO B 34 33.287 89.800 9.225 1.00 29.64 C +ATOM 580 CG PRO B 34 34.015 89.394 7.945 1.00 25.13 C +ATOM 581 CD PRO B 34 35.418 89.105 8.356 1.00 28.22 C +ATOM 582 HA PRO B 34 34.303 91.632 9.850 1.00 0.00 H +ATOM 583 HB3 PRO B 34 32.476 90.484 8.976 1.00 0.00 H +ATOM 584 HB2 PRO B 34 32.991 88.904 9.771 1.00 0.00 H +ATOM 585 HG3 PRO B 34 34.008 90.229 7.244 1.00 0.00 H +ATOM 586 HG2 PRO B 34 33.562 88.488 7.543 1.00 0.00 H +ATOM 587 HD2 PRO B 34 35.489 88.070 8.691 1.00 0.00 H +ATOM 588 HD3 PRO B 34 36.094 89.379 7.546 1.00 0.00 H +ATOM 589 N THR B 35 33.754 91.264 12.260 1.00 27.29 N +ATOM 590 CA THR B 35 33.714 91.189 13.710 1.00 24.68 C +ATOM 591 C THR B 35 32.393 90.491 14.173 1.00 22.91 C +ATOM 592 O THR B 35 31.314 90.643 13.534 1.00 24.84 O +ATOM 593 CB THR B 35 33.642 92.654 14.228 1.00 23.31 C +ATOM 594 OG1 THR B 35 34.845 93.295 13.747 1.00 19.71 O +ATOM 595 CG2 THR B 35 33.584 92.746 15.737 1.00 24.83 C +ATOM 596 H THR B 35 33.398 92.091 11.802 1.00 0.00 H +ATOM 597 HA THR B 35 34.591 90.674 14.103 1.00 0.00 H +ATOM 598 HB THR B 35 32.770 93.149 13.800 1.00 0.00 H +ATOM 599 HG1 THR B 35 34.858 94.210 14.037 1.00 0.00 H +ATOM 600 HG21 THR B 35 33.535 93.793 16.036 1.00 0.00 H +ATOM 601 HG22 THR B 35 32.699 92.223 16.100 1.00 0.00 H +ATOM 602 HG23 THR B 35 34.476 92.288 16.164 1.00 0.00 H +ATOM 603 N ILE B 36 32.536 89.767 15.278 1.00 24.42 N +ATOM 604 CA ILE B 36 31.369 89.292 16.025 1.00 28.70 C +ATOM 605 C ILE B 36 31.059 90.293 17.166 1.00 27.62 C +ATOM 606 O ILE B 36 30.051 91.001 17.130 1.00 30.89 O +ATOM 607 CB ILE B 36 31.545 87.848 16.517 1.00 34.96 C +ATOM 608 CG1 ILE B 36 31.786 86.936 15.290 1.00 41.94 C +ATOM 609 CG2 ILE B 36 30.300 87.423 17.363 1.00 36.28 C +ATOM 610 CD1 ILE B 36 32.049 85.478 15.712 1.00 50.75 C +ATOM 611 H ILE B 36 33.460 89.536 15.615 1.00 0.00 H +ATOM 612 HA ILE B 36 30.519 89.302 15.343 1.00 0.00 H +ATOM 613 HB ILE B 36 32.427 87.806 17.156 1.00 0.00 H +ATOM 614 HG13 ILE B 36 32.639 87.309 14.723 1.00 0.00 H +ATOM 615 HG12 ILE B 36 30.916 86.973 14.634 1.00 0.00 H +ATOM 616 HG21 ILE B 36 30.429 86.398 17.710 1.00 0.00 H +ATOM 617 HG22 ILE B 36 30.200 88.087 18.222 1.00 0.00 H +ATOM 618 HG23 ILE B 36 29.403 87.488 16.748 1.00 0.00 H +ATOM 619 HD11 ILE B 36 32.214 84.867 14.825 1.00 0.00 H +ATOM 620 HD12 ILE B 36 32.932 85.437 16.350 1.00 0.00 H +ATOM 621 HD13 ILE B 36 31.188 85.097 16.260 1.00 0.00 H +ATOM 622 N GLU B 37 31.993 90.401 18.099 1.00 30.29 N +ATOM 623 CA GLU B 37 31.933 91.430 19.174 1.00 33.19 C +ATOM 624 C GLU B 37 33.295 91.480 19.849 1.00 32.42 C +ATOM 625 O GLU B 37 33.811 90.446 20.277 1.00 34.99 O +ATOM 626 CB GLU B 37 30.861 91.065 20.247 1.00 41.51 C +ATOM 627 CG GLU B 37 30.360 92.300 20.963 1.00 53.53 C +ATOM 628 CD GLU B 37 28.959 92.151 21.647 1.00 60.57 C +ATOM 629 OE1 GLU B 37 27.919 92.242 20.923 1.00 73.93 O +ATOM 630 OE2 GLU B 37 28.897 92.001 22.909 1.00 59.51 O1- +ATOM 631 H GLU B 37 32.783 89.771 18.098 1.00 0.00 H +ATOM 632 HA GLU B 37 31.702 92.403 18.740 1.00 0.00 H +ATOM 633 HB3 GLU B 37 31.293 90.376 20.972 1.00 0.00 H +ATOM 634 HB2 GLU B 37 30.024 90.560 19.766 1.00 0.00 H +ATOM 635 HG3 GLU B 37 30.333 93.136 20.264 1.00 0.00 H +ATOM 636 HG2 GLU B 37 31.094 92.607 21.708 1.00 0.00 H +ATOM 637 N ASP B 38 33.913 92.666 19.930 1.00 27.29 N +ATOM 638 CA ASP B 38 35.215 92.804 20.588 1.00 29.19 C +ATOM 639 C ASP B 38 35.197 94.041 21.446 1.00 29.19 C +ATOM 640 O ASP B 38 34.541 95.033 21.097 1.00 26.79 O +ATOM 641 CB ASP B 38 36.325 92.971 19.537 1.00 31.05 C +ATOM 642 CG ASP B 38 36.619 91.643 18.798 1.00 34.39 C +ATOM 643 OD1 ASP B 38 36.774 90.643 19.488 1.00 43.46 O +ATOM 644 OD2 ASP B 38 36.688 91.587 17.592 1.00 37.49 O1- +ATOM 645 H ASP B 38 33.482 93.488 19.533 1.00 0.00 H +ATOM 646 HA ASP B 38 35.415 91.927 21.204 1.00 0.00 H +ATOM 647 HB3 ASP B 38 37.234 93.325 20.023 1.00 0.00 H +ATOM 648 HB2 ASP B 38 36.028 93.731 18.814 1.00 0.00 H +ATOM 649 N SER B 39 35.886 93.974 22.580 1.00 26.38 N +ATOM 650 CA SER B 39 35.939 95.106 23.505 1.00 26.28 C +ATOM 651 C SER B 39 37.391 95.529 23.714 1.00 26.85 C +ATOM 652 O SER B 39 38.317 94.704 23.780 1.00 27.47 O +ATOM 653 CB SER B 39 35.245 94.735 24.817 1.00 36.66 C +ATOM 654 OG SER B 39 36.035 93.909 25.537 1.00 50.86 O +ATOM 655 H SER B 39 36.387 93.130 22.818 1.00 0.00 H +ATOM 656 HA SER B 39 35.400 95.941 23.056 1.00 0.00 H +ATOM 657 HB3 SER B 39 34.301 94.236 24.600 1.00 0.00 H +ATOM 658 HB2 SER B 39 35.047 95.640 25.391 1.00 0.00 H +ATOM 659 HG SER B 39 35.595 93.680 26.359 1.00 0.00 H +ATOM 660 N TYR B 40 37.569 96.835 23.781 1.00 23.26 N +ATOM 661 CA TYR B 40 38.916 97.445 23.919 1.00 21.58 C +ATOM 662 C TYR B 40 38.849 98.492 24.991 1.00 25.25 C +ATOM 663 O TYR B 40 37.790 99.026 25.308 1.00 23.70 O +ATOM 664 CB TYR B 40 39.292 98.114 22.609 1.00 21.44 C +ATOM 665 CG TYR B 40 39.384 97.220 21.421 1.00 23.13 C +ATOM 666 CD1 TYR B 40 38.275 96.846 20.738 1.00 23.73 C +ATOM 667 CD2 TYR B 40 40.599 96.746 21.007 1.00 27.61 C +ATOM 668 CE1 TYR B 40 38.371 96.025 19.634 1.00 26.30 C +ATOM 669 CE2 TYR B 40 40.720 95.875 19.933 1.00 32.50 C +ATOM 670 CZ TYR B 40 39.603 95.544 19.242 1.00 28.24 C +ATOM 671 OH TYR B 40 39.724 94.754 18.147 1.00 31.30 O +ATOM 672 H TYR B 40 36.774 97.456 23.739 1.00 0.00 H +ATOM 673 HA TYR B 40 39.651 96.684 24.179 1.00 0.00 H +ATOM 674 HB3 TYR B 40 40.236 98.644 22.734 1.00 0.00 H +ATOM 675 HB2 TYR B 40 38.586 98.918 22.400 1.00 0.00 H +ATOM 676 HD1 TYR B 40 37.303 97.191 21.057 1.00 0.00 H +ATOM 677 HD2 TYR B 40 41.500 97.049 21.520 1.00 0.00 H +ATOM 678 HE1 TYR B 40 37.483 95.760 19.079 1.00 0.00 H +ATOM 679 HE2 TYR B 40 41.688 95.478 19.666 1.00 0.00 H +ATOM 680 HH TYR B 40 40.646 94.515 18.025 1.00 0.00 H +ATOM 681 N ARG B 41 39.997 98.802 25.569 1.00 25.00 N +ATOM 682 CA ARG B 41 40.074 99.885 26.608 1.00 25.00 C +ATOM 683 C ARG B 41 41.274 100.727 26.342 1.00 25.56 C +ATOM 684 O ARG B 41 42.349 100.251 25.865 1.00 23.62 O +ATOM 685 CB ARG B 41 40.222 99.284 27.958 1.00 30.24 C +ATOM 686 CG ARG B 41 38.905 98.845 28.576 1.00 37.17 C +ATOM 687 CD ARG B 41 39.046 97.828 29.675 1.00 50.14 C +ATOM 688 NE ARG B 41 40.091 96.936 29.206 1.00 64.39 N +ATOM 689 CZ ARG B 41 40.618 95.932 29.876 1.00 71.48 C +ATOM 690 NH1 ARG B 41 41.611 95.250 29.285 1.00 66.87 N +ATOM 691 NH2 ARG B 41 40.125 95.573 31.065 1.00 69.67 N1+ +ATOM 692 H ARG B 41 40.840 98.308 25.314 1.00 0.00 H +ATOM 693 HA ARG B 41 39.174 100.499 26.572 1.00 0.00 H +ATOM 694 HB3 ARG B 41 40.712 99.998 28.620 1.00 0.00 H +ATOM 695 HB2 ARG B 41 40.897 98.430 27.902 1.00 0.00 H +ATOM 696 HG3 ARG B 41 38.255 98.447 27.797 1.00 0.00 H +ATOM 697 HG2 ARG B 41 38.376 99.718 28.958 1.00 0.00 H +ATOM 698 HD3 ARG B 41 38.114 97.272 29.773 1.00 0.00 H +ATOM 699 HD2 ARG B 41 39.378 98.325 30.586 1.00 0.00 H +ATOM 700 HE ARG B 41 40.413 97.144 28.272 1.00 0.00 H +ATOM 701 HH12 ARG B 41 42.044 94.473 29.763 1.00 0.00 H +ATOM 702 HH11 ARG B 41 41.926 95.514 28.362 1.00 0.00 H +ATOM 703 HH22 ARG B 41 40.537 94.802 31.570 1.00 0.00 H +ATOM 704 HH21 ARG B 41 39.341 96.073 31.458 1.00 0.00 H +ATOM 705 N LYS B 42 41.137 101.999 26.652 1.00 24.01 N +ATOM 706 CA LYS B 42 42.248 102.918 26.508 1.00 24.10 C +ATOM 707 C LYS B 42 42.038 104.055 27.523 1.00 24.16 C +ATOM 708 O LYS B 42 40.959 104.602 27.615 1.00 21.98 O +ATOM 709 CB LYS B 42 42.317 103.515 25.159 1.00 23.85 C +ATOM 710 CG LYS B 42 43.592 104.318 24.901 1.00 25.97 C +ATOM 711 CD LYS B 42 43.637 104.974 23.544 1.00 29.18 C +ATOM 712 CE LYS B 42 45.045 105.582 23.384 1.00 31.37 C +ATOM 713 NZ LYS B 42 44.992 106.333 22.124 1.00 39.29 N1+ +ATOM 714 H LYS B 42 40.251 102.343 26.994 1.00 0.00 H +ATOM 715 HA LYS B 42 43.182 102.400 26.727 1.00 0.00 H +ATOM 716 HB3 LYS B 42 41.449 104.155 25.002 1.00 0.00 H +ATOM 717 HB2 LYS B 42 42.228 102.728 24.410 1.00 0.00 H +ATOM 718 HG3 LYS B 42 44.459 103.667 25.017 1.00 0.00 H +ATOM 719 HG2 LYS B 42 43.703 105.078 25.674 1.00 0.00 H +ATOM 720 HD3 LYS B 42 42.892 105.768 23.500 1.00 0.00 H +ATOM 721 HD2 LYS B 42 43.477 104.221 22.772 1.00 0.00 H +ATOM 722 HE3 LYS B 42 45.777 104.779 23.296 1.00 0.00 H +ATOM 723 HE2 LYS B 42 45.237 106.270 24.207 1.00 0.00 H +ATOM 724 HZ1 LYS B 42 45.889 106.764 21.950 1.00 0.00 H +ATOM 725 HZ2 LYS B 42 44.769 105.704 21.366 1.00 0.00 H +ATOM 726 HZ3 LYS B 42 44.282 107.048 22.187 1.00 0.00 H +ATOM 727 N GLN B 43 43.094 104.408 28.244 1.00 23.05 N +ATOM 728 CA GLN B 43 43.031 105.608 29.090 1.00 23.95 C +ATOM 729 C GLN B 43 43.503 106.817 28.304 1.00 23.17 C +ATOM 730 O GLN B 43 44.563 106.779 27.660 1.00 25.50 O +ATOM 731 CB GLN B 43 43.923 105.432 30.356 1.00 28.18 C +ATOM 732 CG GLN B 43 43.782 106.629 31.304 1.00 27.55 C +ATOM 733 CD GLN B 43 44.549 106.466 32.635 1.00 32.61 C +ATOM 734 OE1 GLN B 43 44.050 105.868 33.562 1.00 38.18 O +ATOM 735 NE2 GLN B 43 45.736 107.045 32.696 1.00 36.67 N +ATOM 736 H GLN B 43 43.937 103.853 28.210 1.00 0.00 H +ATOM 737 HA GLN B 43 41.999 105.768 29.402 1.00 0.00 H +ATOM 738 HB3 GLN B 43 44.965 105.329 30.054 1.00 0.00 H +ATOM 739 HB2 GLN B 43 43.636 104.520 30.878 1.00 0.00 H +ATOM 740 HG3 GLN B 43 42.726 106.802 31.514 1.00 0.00 H +ATOM 741 HG2 GLN B 43 44.123 107.533 30.799 1.00 0.00 H +ATOM 742 HE22 GLN B 43 46.289 106.976 33.538 1.00 0.00 H +ATOM 743 HE21 GLN B 43 46.090 107.556 31.900 1.00 0.00 H +ATOM 744 N VAL B 44 42.753 107.894 28.309 1.00 20.18 N +ATOM 745 CA VAL B 44 43.049 109.104 27.552 1.00 20.92 C +ATOM 746 C VAL B 44 42.753 110.341 28.413 1.00 23.23 C +ATOM 747 O VAL B 44 42.041 110.239 29.403 1.00 23.64 O +ATOM 748 CB VAL B 44 42.272 109.213 26.232 1.00 26.08 C +ATOM 749 CG1 VAL B 44 42.510 108.052 25.300 1.00 29.72 C +ATOM 750 CG2 VAL B 44 40.797 109.292 26.495 1.00 27.32 C +ATOM 751 H VAL B 44 41.909 107.919 28.863 1.00 0.00 H +ATOM 752 HA VAL B 44 44.113 109.103 27.318 1.00 0.00 H +ATOM 753 HB VAL B 44 42.580 110.128 25.726 1.00 0.00 H +ATOM 754 HG11 VAL B 44 41.931 108.193 24.387 1.00 0.00 H +ATOM 755 HG12 VAL B 44 43.570 107.996 25.052 1.00 0.00 H +ATOM 756 HG13 VAL B 44 42.201 107.126 25.786 1.00 0.00 H +ATOM 757 HG21 VAL B 44 40.262 109.369 25.548 1.00 0.00 H +ATOM 758 HG22 VAL B 44 40.473 108.395 27.023 1.00 0.00 H +ATOM 759 HG23 VAL B 44 40.583 110.170 27.105 1.00 0.00 H +ATOM 760 N VAL B 45 43.279 111.475 28.009 1.00 22.53 N +ATOM 761 CA VAL B 45 42.972 112.757 28.674 1.00 23.58 C +ATOM 762 C VAL B 45 42.252 113.613 27.687 1.00 22.96 C +ATOM 763 O VAL B 45 42.738 113.887 26.559 1.00 24.63 O +ATOM 764 CB VAL B 45 44.284 113.484 29.148 1.00 27.42 C +ATOM 765 CG1 VAL B 45 43.914 114.772 29.842 1.00 27.68 C +ATOM 766 CG2 VAL B 45 45.130 112.584 30.027 1.00 30.82 C +ATOM 767 H VAL B 45 43.913 111.486 27.223 1.00 0.00 H +ATOM 768 HA VAL B 45 42.328 112.574 29.534 1.00 0.00 H +ATOM 769 HB VAL B 45 44.868 113.735 28.263 1.00 0.00 H +ATOM 770 HG11 VAL B 45 44.820 115.280 30.173 1.00 0.00 H +ATOM 771 HG12 VAL B 45 43.369 115.415 29.150 1.00 0.00 H +ATOM 772 HG13 VAL B 45 43.285 114.553 30.705 1.00 0.00 H +ATOM 773 HG21 VAL B 45 46.028 113.118 30.336 1.00 0.00 H +ATOM 774 HG22 VAL B 45 44.558 112.295 30.909 1.00 0.00 H +ATOM 775 HG23 VAL B 45 45.413 111.691 29.469 1.00 0.00 H +ATOM 776 N ILE B 46 41.049 114.024 28.041 1.00 21.87 N +ATOM 777 CA ILE B 46 40.199 114.881 27.184 1.00 22.39 C +ATOM 778 C ILE B 46 39.782 116.080 27.990 1.00 24.99 C +ATOM 779 O ILE B 46 39.180 115.951 29.064 1.00 22.54 O +ATOM 780 CB ILE B 46 38.929 114.074 26.761 1.00 20.53 C +ATOM 781 CG1 ILE B 46 39.370 112.826 25.965 1.00 23.22 C +ATOM 782 CG2 ILE B 46 38.035 114.923 25.905 1.00 23.72 C +ATOM 783 CD1 ILE B 46 38.308 111.799 25.740 1.00 24.41 C +ATOM 784 H ILE B 46 40.666 113.754 28.936 1.00 0.00 H +ATOM 785 HA ILE B 46 40.754 115.197 26.301 1.00 0.00 H +ATOM 786 HB ILE B 46 38.386 113.761 27.653 1.00 0.00 H +ATOM 787 HG13 ILE B 46 40.220 112.362 26.465 1.00 0.00 H +ATOM 788 HG12 ILE B 46 39.779 113.138 25.004 1.00 0.00 H +ATOM 789 HG21 ILE B 46 37.154 114.349 25.617 1.00 0.00 H +ATOM 790 HG22 ILE B 46 37.726 115.805 26.465 1.00 0.00 H +ATOM 791 HG23 ILE B 46 38.575 115.232 25.010 1.00 0.00 H +ATOM 792 HD11 ILE B 46 38.722 110.966 25.172 1.00 0.00 H +ATOM 793 HD12 ILE B 46 37.942 111.437 26.701 1.00 0.00 H +ATOM 794 HD13 ILE B 46 37.484 112.244 25.182 1.00 0.00 H +ATOM 795 N ASP B 47 40.102 117.251 27.460 1.00 23.99 N +ATOM 796 CA ASP B 47 39.790 118.540 28.145 1.00 25.91 C +ATOM 797 C ASP B 47 40.352 118.521 29.571 1.00 26.56 C +ATOM 798 O ASP B 47 39.677 118.947 30.514 1.00 27.10 O +ATOM 799 CB ASP B 47 38.279 118.865 28.117 1.00 29.67 C +ATOM 800 CG ASP B 47 37.754 119.020 26.667 1.00 30.41 C +ATOM 801 OD1 ASP B 47 38.564 119.255 25.775 1.00 32.23 O +ATOM 802 OD2 ASP B 47 36.526 118.999 26.502 1.00 33.49 O1- +ATOM 803 H ASP B 47 40.571 117.290 26.566 1.00 0.00 H +ATOM 804 HA ASP B 47 40.305 119.332 27.601 1.00 0.00 H +ATOM 805 HB3 ASP B 47 38.096 119.787 28.669 1.00 0.00 H +ATOM 806 HB2 ASP B 47 37.728 118.070 28.619 1.00 0.00 H +ATOM 807 N GLY B 48 41.541 117.952 29.726 1.00 25.61 N +ATOM 808 CA GLY B 48 42.193 117.926 31.047 1.00 28.62 C +ATOM 809 C GLY B 48 41.656 116.880 32.010 1.00 31.95 C +ATOM 810 O GLY B 48 42.124 116.785 33.139 1.00 30.30 O +ATOM 811 H GLY B 48 42.007 117.532 28.934 1.00 0.00 H +ATOM 812 HA3 GLY B 48 42.117 118.912 31.506 1.00 0.00 H +ATOM 813 HA2 GLY B 48 43.265 117.780 30.917 1.00 0.00 H +ATOM 814 N GLU B 49 40.681 116.067 31.615 1.00 23.44 N +ATOM 815 CA GLU B 49 40.157 115.057 32.493 1.00 27.15 C +ATOM 816 C GLU B 49 40.552 113.670 32.028 1.00 27.78 C +ATOM 817 O GLU B 49 40.305 113.320 30.858 1.00 27.65 O +ATOM 818 CB GLU B 49 38.611 115.143 32.555 1.00 29.99 C +ATOM 819 CG GLU B 49 38.110 116.444 33.198 1.00 40.91 C +ATOM 820 CD GLU B 49 38.026 116.460 34.743 1.00 62.95 C +ATOM 821 OE1 GLU B 49 37.245 115.672 35.354 1.00 82.79 O +ATOM 822 OE2 GLU B 49 38.691 117.336 35.350 1.00 64.72 O1- +ATOM 823 H GLU B 49 40.297 116.154 30.685 1.00 0.00 H +ATOM 824 HA GLU B 49 40.558 115.219 33.493 1.00 0.00 H +ATOM 825 HB3 GLU B 49 38.223 114.291 33.113 1.00 0.00 H +ATOM 826 HB2 GLU B 49 38.203 115.056 31.548 1.00 0.00 H +ATOM 827 HG3 GLU B 49 37.135 116.697 32.783 1.00 0.00 H +ATOM 828 HG2 GLU B 49 38.734 117.273 32.864 1.00 0.00 H +ATOM 829 N THR B 50 41.125 112.856 32.895 1.00 24.56 N +ATOM 830 CA THR B 50 41.518 111.527 32.579 1.00 25.38 C +ATOM 831 C THR B 50 40.301 110.629 32.525 1.00 31.10 C +ATOM 832 O THR B 50 39.451 110.631 33.407 1.00 29.24 O +ATOM 833 CB THR B 50 42.523 111.023 33.595 1.00 33.96 C +ATOM 834 OG1 THR B 50 43.668 111.895 33.518 1.00 38.64 O +ATOM 835 CG2 THR B 50 42.957 109.589 33.378 1.00 37.30 C +ATOM 836 H THR B 50 41.305 113.169 33.838 1.00 0.00 H +ATOM 837 HA THR B 50 41.990 111.530 31.597 1.00 0.00 H +ATOM 838 HB THR B 50 42.086 111.108 34.590 1.00 0.00 H +ATOM 839 HG1 THR B 50 44.332 111.609 34.149 1.00 0.00 H +ATOM 840 HG21 THR B 50 43.676 109.306 34.147 1.00 0.00 H +ATOM 841 HG22 THR B 50 42.088 108.933 33.435 1.00 0.00 H +ATOM 842 HG23 THR B 50 43.420 109.494 32.396 1.00 0.00 H +ATOM 843 N CSO B 51 40.226 109.807 31.486 1.00 26.78 N +ATOM 844 CA CSO B 51 39.190 108.806 31.482 1.00 27.99 C +ATOM 845 CB CSO B 51 37.913 109.342 30.964 1.00 34.49 C +ATOM 846 SG CSO B 51 38.158 109.869 29.299 1.00 32.56 S +ATOM 847 C CSO B 51 39.532 107.543 30.828 1.00 24.89 C +ATOM 848 O CSO B 51 40.531 107.435 30.157 1.00 23.97 O +ATOM 849 OD CSO B 51 37.902 111.392 29.799 1.00 38.51 O +ATOM 850 H CSO B 51 40.885 109.893 30.725 1.00 0.00 H +ATOM 851 HA CSO B 51 39.008 108.561 32.528 1.00 0.00 H +ATOM 852 HB3 CSO B 51 37.603 110.192 31.572 1.00 0.00 H +ATOM 853 HB2 CSO B 51 37.154 108.560 30.989 1.00 0.00 H +ATOM 854 HD CSO B 51 37.973 111.991 29.052 1.00 0.00 H +ATOM 855 N LEU B 52 38.741 106.536 31.153 1.00 20.74 N +ATOM 856 CA LEU B 52 38.916 105.208 30.619 1.00 21.08 C +ATOM 857 C LEU B 52 37.842 105.004 29.586 1.00 25.09 C +ATOM 858 O LEU B 52 36.673 105.072 29.895 1.00 24.18 O +ATOM 859 CB LEU B 52 38.806 104.180 31.720 1.00 22.69 C +ATOM 860 CG LEU B 52 39.001 102.756 31.342 1.00 27.54 C +ATOM 861 CD1 LEU B 52 40.451 102.542 30.852 1.00 29.53 C +ATOM 862 CD2 LEU B 52 38.806 101.850 32.545 1.00 33.10 C +ATOM 863 H LEU B 52 37.978 106.681 31.799 1.00 0.00 H +ATOM 864 HA LEU B 52 39.895 105.132 30.146 1.00 0.00 H +ATOM 865 HB3 LEU B 52 37.842 104.290 32.218 1.00 0.00 H +ATOM 866 HB2 LEU B 52 39.500 104.436 32.520 1.00 0.00 H +ATOM 867 HG LEU B 52 38.299 102.482 30.554 1.00 0.00 H +ATOM 868 HD11 LEU B 52 40.591 101.497 30.576 1.00 0.00 H +ATOM 869 HD12 LEU B 52 40.639 103.175 29.985 1.00 0.00 H +ATOM 870 HD13 LEU B 52 41.147 102.803 31.649 1.00 0.00 H +ATOM 871 HD21 LEU B 52 38.953 100.812 32.246 1.00 0.00 H +ATOM 872 HD22 LEU B 52 39.529 102.111 33.318 1.00 0.00 H +ATOM 873 HD23 LEU B 52 37.796 101.976 32.935 1.00 0.00 H +ATOM 874 N LEU B 53 38.272 104.780 28.360 1.00 20.43 N +ATOM 875 CA LEU B 53 37.299 104.433 27.265 1.00 23.86 C +ATOM 876 C LEU B 53 37.142 102.934 27.246 1.00 22.79 C +ATOM 877 O LEU B 53 38.140 102.235 27.107 1.00 23.79 O +ATOM 878 CB LEU B 53 37.823 104.939 25.978 1.00 20.79 C +ATOM 879 CG LEU B 53 38.263 106.347 25.833 1.00 24.14 C +ATOM 880 CD1 LEU B 53 38.635 106.708 24.439 1.00 27.28 C +ATOM 881 CD2 LEU B 53 37.216 107.304 26.429 1.00 26.66 C +ATOM 882 H LEU B 53 39.258 104.841 28.152 1.00 0.00 H +ATOM 883 HA LEU B 53 36.335 104.897 27.474 1.00 0.00 H +ATOM 884 HB3 LEU B 53 37.103 104.712 25.191 1.00 0.00 H +ATOM 885 HB2 LEU B 53 38.626 104.283 25.642 1.00 0.00 H +ATOM 886 HG LEU B 53 39.165 106.456 26.435 1.00 0.00 H +ATOM 887 HD11 LEU B 53 38.947 107.752 24.404 1.00 0.00 H +ATOM 888 HD12 LEU B 53 39.455 106.073 24.105 1.00 0.00 H +ATOM 889 HD13 LEU B 53 37.775 106.565 23.784 1.00 0.00 H +ATOM 890 HD21 LEU B 53 37.556 108.333 26.313 1.00 0.00 H +ATOM 891 HD22 LEU B 53 36.267 107.175 25.908 1.00 0.00 H +ATOM 892 HD23 LEU B 53 37.082 107.083 27.488 1.00 0.00 H +ATOM 893 N ASP B 54 35.886 102.457 27.356 1.00 21.20 N +ATOM 894 CA ASP B 54 35.566 101.043 27.161 1.00 23.87 C +ATOM 895 C ASP B 54 34.836 101.004 25.840 1.00 25.92 C +ATOM 896 O ASP B 54 33.752 101.553 25.762 1.00 24.91 O +ATOM 897 CB ASP B 54 34.663 100.559 28.261 1.00 31.14 C +ATOM 898 CG ASP B 54 34.612 99.002 28.430 1.00 39.73 C +ATOM 899 OD1 ASP B 54 35.204 98.158 27.659 1.00 60.23 O +ATOM 900 OD2 ASP B 54 33.820 98.685 29.317 1.00 64.28 O1- +ATOM 901 H ASP B 54 35.126 103.083 27.580 1.00 0.00 H +ATOM 902 HA ASP B 54 36.476 100.444 27.117 1.00 0.00 H +ATOM 903 HB3 ASP B 54 33.655 100.937 28.092 1.00 0.00 H +ATOM 904 HB2 ASP B 54 34.966 101.014 29.204 1.00 0.00 H +ATOM 905 N ILE B 55 35.426 100.392 24.811 1.00 22.49 N +ATOM 906 CA ILE B 55 34.921 100.536 23.458 1.00 20.43 C +ATOM 907 C ILE B 55 34.443 99.169 23.013 1.00 22.45 C +ATOM 908 O ILE B 55 35.203 98.248 23.026 1.00 24.58 O +ATOM 909 CB ILE B 55 35.933 101.086 22.505 1.00 19.51 C +ATOM 910 CG1 ILE B 55 36.379 102.455 22.987 1.00 23.61 C +ATOM 911 CG2 ILE B 55 35.483 101.088 21.078 1.00 22.98 C +ATOM 912 CD1 ILE B 55 37.707 102.860 22.392 1.00 23.04 C +ATOM 913 H ILE B 55 36.240 99.815 24.966 1.00 0.00 H +ATOM 914 HA ILE B 55 34.065 101.211 23.479 1.00 0.00 H +ATOM 915 HB ILE B 55 36.804 100.433 22.560 1.00 0.00 H +ATOM 916 HG13 ILE B 55 36.456 102.449 24.074 1.00 0.00 H +ATOM 917 HG12 ILE B 55 35.623 103.196 22.725 1.00 0.00 H +ATOM 918 HG21 ILE B 55 36.271 101.501 20.449 1.00 0.00 H +ATOM 919 HG22 ILE B 55 35.265 100.067 20.764 1.00 0.00 H +ATOM 920 HG23 ILE B 55 34.584 101.697 20.981 1.00 0.00 H +ATOM 921 HD11 ILE B 55 37.987 103.845 22.764 1.00 0.00 H +ATOM 922 HD12 ILE B 55 38.469 102.135 22.676 1.00 0.00 H +ATOM 923 HD13 ILE B 55 37.624 102.893 21.306 1.00 0.00 H +ATOM 924 N LEU B 56 33.181 99.091 22.578 1.00 17.97 N +ATOM 925 CA LEU B 56 32.610 97.880 22.003 1.00 21.17 C +ATOM 926 C LEU B 56 32.516 98.054 20.536 1.00 20.07 C +ATOM 927 O LEU B 56 31.830 98.949 20.020 1.00 18.99 O +ATOM 928 CB LEU B 56 31.219 97.610 22.615 1.00 22.83 C +ATOM 929 CG LEU B 56 30.701 96.240 22.149 1.00 26.92 C +ATOM 930 CD1 LEU B 56 31.446 95.147 22.809 1.00 33.42 C +ATOM 931 CD2 LEU B 56 29.286 96.052 22.560 1.00 31.49 C +ATOM 932 H LEU B 56 32.575 99.896 22.640 1.00 0.00 H +ATOM 933 HA LEU B 56 33.266 97.037 22.221 1.00 0.00 H +ATOM 934 HB3 LEU B 56 30.525 98.388 22.297 1.00 0.00 H +ATOM 935 HB2 LEU B 56 31.293 97.620 23.702 1.00 0.00 H +ATOM 936 HG LEU B 56 30.791 96.154 21.066 1.00 0.00 H +ATOM 937 HD11 LEU B 56 31.063 94.186 22.465 1.00 0.00 H +ATOM 938 HD12 LEU B 56 32.504 95.226 22.560 1.00 0.00 H +ATOM 939 HD13 LEU B 56 31.321 95.222 23.889 1.00 0.00 H +ATOM 940 HD21 LEU B 56 28.935 95.077 22.222 1.00 0.00 H +ATOM 941 HD22 LEU B 56 29.212 96.108 23.646 1.00 0.00 H +ATOM 942 HD23 LEU B 56 28.671 96.833 22.114 1.00 0.00 H +ATOM 943 N ASP B 57 33.255 97.187 19.817 1.00 20.69 N +ATOM 944 CA ASP B 57 33.283 97.153 18.397 1.00 21.25 C +ATOM 945 C ASP B 57 32.283 96.031 17.973 1.00 23.66 C +ATOM 946 O ASP B 57 32.388 94.893 18.447 1.00 24.97 O +ATOM 947 CB ASP B 57 34.701 96.696 18.045 1.00 23.04 C +ATOM 948 CG ASP B 57 34.971 96.698 16.568 1.00 24.30 C +ATOM 949 OD1 ASP B 57 34.171 97.363 15.852 1.00 25.22 O +ATOM 950 OD2 ASP B 57 35.945 95.959 16.140 1.00 26.26 O1- +ATOM 951 H ASP B 57 33.835 96.507 20.287 1.00 0.00 H +ATOM 952 HA ASP B 57 33.036 98.118 17.954 1.00 0.00 H +ATOM 953 HB3 ASP B 57 34.868 95.695 18.442 1.00 0.00 H +ATOM 954 HB2 ASP B 57 35.424 97.340 18.546 1.00 0.00 H +ATOM 955 N THR B 58 31.287 96.417 17.187 1.00 22.09 N +ATOM 956 CA THR B 58 30.135 95.566 16.907 1.00 23.46 C +ATOM 957 C THR B 58 30.241 95.002 15.470 1.00 25.62 C +ATOM 958 O THR B 58 30.973 95.486 14.649 1.00 23.92 O +ATOM 959 CB THR B 58 28.827 96.323 17.030 1.00 26.09 C +ATOM 960 OG1 THR B 58 28.724 97.388 16.046 1.00 24.19 O +ATOM 961 CG2 THR B 58 28.717 96.928 18.412 1.00 29.03 C +ATOM 962 H THR B 58 31.308 97.331 16.757 1.00 0.00 H +ATOM 963 HA THR B 58 30.130 94.735 17.613 1.00 0.00 H +ATOM 964 HB THR B 58 28.001 95.627 16.883 1.00 0.00 H +ATOM 965 HG1 THR B 58 27.886 97.844 16.154 1.00 0.00 H +ATOM 966 HG21 THR B 58 27.776 97.471 18.497 1.00 0.00 H +ATOM 967 HG22 THR B 58 28.747 96.135 19.160 1.00 0.00 H +ATOM 968 HG23 THR B 58 29.548 97.614 18.576 1.00 0.00 H +ATOM 969 N ALA B 59 29.397 94.017 15.201 1.00 22.68 N +ATOM 970 CA ALA B 59 29.225 93.480 13.865 1.00 24.33 C +ATOM 971 C ALA B 59 28.342 94.398 13.030 1.00 25.98 C +ATOM 972 O ALA B 59 27.328 94.896 13.514 1.00 28.30 O +ATOM 973 CB ALA B 59 28.533 92.116 13.956 1.00 25.92 C +ATOM 974 H ALA B 59 28.843 93.611 15.941 1.00 0.00 H +ATOM 975 HA ALA B 59 30.197 93.368 13.385 1.00 0.00 H +ATOM 976 HB1 ALA B 59 28.401 91.707 12.954 1.00 0.00 H +ATOM 977 HB2 ALA B 59 29.146 91.436 14.547 1.00 0.00 H +ATOM 978 HB3 ALA B 59 27.559 92.233 14.431 1.00 0.00 H +ATOM 979 N GLY B 60 28.658 94.595 11.758 1.00 25.04 N +ATOM 980 CA GLY B 60 27.841 95.323 10.818 1.00 30.68 C +ATOM 981 C GLY B 60 26.363 94.835 10.863 1.00 39.35 C +ATOM 982 O GLY B 60 25.402 95.640 11.114 1.00 39.19 O +ATOM 983 H GLY B 60 29.522 94.224 11.389 1.00 0.00 H +ATOM 984 HA3 GLY B 60 28.237 95.188 9.812 1.00 0.00 H +ATOM 985 HA2 GLY B 60 27.879 96.387 11.052 1.00 0.00 H +ATOM 986 N HIS B 61 26.217 93.541 10.684 1.00 45.42 N +ATOM 987 CA HIS B 61 24.892 92.842 10.671 1.00 53.06 C +ATOM 988 C HIS B 61 24.783 91.909 11.888 1.00 46.96 C +ATOM 989 O HIS B 61 25.509 90.914 11.983 1.00 42.13 O +ATOM 990 CB HIS B 61 24.794 92.026 9.366 1.00 58.72 C +ATOM 991 CG HIS B 61 23.453 91.402 9.124 1.00 71.25 C +ATOM 992 ND1 HIS B 61 23.307 90.252 8.377 1.00 77.17 N +ATOM 993 CD2 HIS B 61 22.201 91.763 9.509 1.00 85.29 C +ATOM 994 CE1 HIS B 61 22.023 89.934 8.310 1.00 86.59 C +ATOM 995 NE2 HIS B 61 21.334 90.823 9.005 1.00 86.43 N +ATOM 996 H HIS B 61 27.028 92.956 10.544 1.00 0.00 H +ATOM 997 HA HIS B 61 24.090 93.579 10.702 1.00 0.00 H +ATOM 998 HB3 HIS B 61 25.559 91.249 9.368 1.00 0.00 H +ATOM 999 HB2 HIS B 61 25.053 92.664 8.521 1.00 0.00 H +ATOM 1000 HD1 HIS B 61 24.119 89.798 7.985 1.00 0.00 H +ATOM 1001 HD2 HIS B 61 22.054 92.653 10.103 1.00 0.00 H +ATOM 1002 HE1 HIS B 61 21.710 89.066 7.748 1.00 0.00 H +ATOM 1003 N GLU B 62 23.979 92.294 12.871 1.00 54.41 N +ATOM 1004 CA GLU B 62 23.910 91.521 14.166 1.00 65.18 C +ATOM 1005 C GLU B 62 22.830 90.448 14.055 1.00 64.10 C +ATOM 1006 O GLU B 62 21.643 90.801 13.933 1.00 63.22 O +ATOM 1007 CB GLU B 62 23.649 92.392 15.383 1.00 71.54 C +ATOM 1008 CG GLU B 62 24.378 91.779 16.556 1.00 84.36 C +ATOM 1009 CD GLU B 62 25.836 92.225 16.712 1.00 80.65 C +ATOM 1010 OE1 GLU B 62 26.562 91.286 17.137 1.00 86.06 O +ATOM 1011 OE2 GLU B 62 26.286 93.415 16.520 1.00 77.10 O1- +ATOM 1012 H GLU B 62 23.402 93.115 12.759 1.00 0.00 H +ATOM 1013 HA GLU B 62 24.868 91.020 14.310 1.00 0.00 H +ATOM 1014 HB3 GLU B 62 22.579 92.413 15.591 1.00 0.00 H +ATOM 1015 HB2 GLU B 62 24.034 93.395 15.201 1.00 0.00 H +ATOM 1016 HG3 GLU B 62 24.340 90.693 16.477 1.00 0.00 H +ATOM 1017 HG2 GLU B 62 23.833 91.999 17.474 1.00 0.00 H +ATOM 1018 N GLU B 63 23.242 89.194 14.092 1.00 72.97 N +ATOM 1019 CA GLU B 63 22.321 88.074 13.827 1.00 82.42 C +ATOM 1020 C GLU B 63 21.341 87.920 15.003 1.00 85.99 C +ATOM 1021 O GLU B 63 20.199 88.375 14.899 1.00 67.75 O +ATOM 1022 CB GLU B 63 23.083 86.763 13.496 1.00 79.93 C +ATOM 1023 H GLU B 63 24.207 88.986 14.305 1.00 0.00 H +ATOM 1024 HA GLU B 63 21.733 88.338 12.948 1.00 0.00 H +ATOM 1025 HB1 GLU B 63 22.367 85.963 13.307 1.00 0.00 H +ATOM 1026 HB2 GLU B 63 23.699 86.914 12.610 1.00 0.00 H +ATOM 1027 HB3 GLU B 63 23.719 86.489 14.338 1.00 0.00 H +ATOM 1028 N TYR B 64 21.782 87.355 16.140 1.00 93.10 N +ATOM 1029 CA TYR B 64 20.965 87.318 17.340 1.00 88.69 C +ATOM 1030 C TYR B 64 20.725 88.761 17.849 1.00 74.92 C +ATOM 1031 O TYR B 64 21.671 89.536 18.103 1.00 79.52 O +ATOM 1032 CB TYR B 64 21.660 86.455 18.410 1.00102.24 C +ATOM 1033 CG TYR B 64 20.949 86.210 19.736 1.00109.32 C +ATOM 1034 CD1 TYR B 64 19.555 85.996 19.800 1.00108.18 C +ATOM 1035 CD2 TYR B 64 21.694 86.099 20.943 1.00104.44 C +ATOM 1036 CE1 TYR B 64 18.919 85.732 21.003 1.00105.43 C +ATOM 1037 CE2 TYR B 64 21.056 85.822 22.159 1.00101.04 C +ATOM 1038 CZ TYR B 64 19.668 85.631 22.180 1.00107.80 C +ATOM 1039 OH TYR B 64 18.984 85.363 23.355 1.00 98.70 O +ATOM 1040 H TYR B 64 22.703 86.942 16.174 1.00 0.00 H +ATOM 1041 HA TYR B 64 20.003 86.867 17.096 1.00 0.00 H +ATOM 1042 HB3 TYR B 64 22.651 86.864 18.608 1.00 0.00 H +ATOM 1043 HB2 TYR B 64 21.934 85.496 17.971 1.00 0.00 H +ATOM 1044 HD1 TYR B 64 18.961 86.036 18.899 1.00 0.00 H +ATOM 1045 HD2 TYR B 64 22.766 86.229 20.930 1.00 0.00 H +ATOM 1046 HE1 TYR B 64 17.847 85.605 21.030 1.00 0.00 H +ATOM 1047 HE2 TYR B 64 21.633 85.757 23.069 1.00 0.00 H +ATOM 1048 HH TYR B 64 19.606 85.319 24.085 1.00 0.00 H +ATOM 1049 N SER B 65 19.450 89.092 17.990 1.00 57.99 N +ATOM 1050 CA SER B 65 19.008 90.440 18.263 1.00 58.76 C +ATOM 1051 C SER B 65 19.049 90.812 19.765 1.00 58.84 C +ATOM 1052 O SER B 65 19.210 91.979 20.074 1.00 57.88 O +ATOM 1053 CB SER B 65 17.634 90.734 17.579 1.00 59.55 C +ATOM 1054 OG SER B 65 16.509 90.847 18.463 1.00 61.10 O +ATOM 1055 H SER B 65 18.733 88.386 17.907 1.00 0.00 H +ATOM 1056 HA SER B 65 19.730 91.095 17.774 1.00 0.00 H +ATOM 1057 HB3 SER B 65 17.431 89.964 16.834 1.00 0.00 H +ATOM 1058 HB2 SER B 65 17.716 91.643 16.983 1.00 0.00 H +ATOM 1059 HG SER B 65 15.717 91.027 17.952 1.00 0.00 H +ATOM 1060 N ALA B 66 18.921 89.834 20.678 1.00 52.19 N +ATOM 1061 CA ALA B 66 19.058 90.131 22.110 1.00 46.96 C +ATOM 1062 C ALA B 66 20.440 90.645 22.509 1.00 44.89 C +ATOM 1063 O ALA B 66 20.550 91.486 23.429 1.00 41.82 O +ATOM 1064 CB ALA B 66 18.682 88.909 22.969 1.00 49.72 C +ATOM 1065 H ALA B 66 18.729 88.888 20.381 1.00 0.00 H +ATOM 1066 HA ALA B 66 18.343 90.920 22.344 1.00 0.00 H +ATOM 1067 HB1 ALA B 66 18.793 89.158 24.024 1.00 0.00 H +ATOM 1068 HB2 ALA B 66 17.648 88.628 22.769 1.00 0.00 H +ATOM 1069 HB3 ALA B 66 19.339 88.075 22.722 1.00 0.00 H +ATOM 1070 N MET B 67 21.490 90.141 21.840 1.00 44.28 N +ATOM 1071 CA MET B 67 22.868 90.582 22.107 1.00 51.57 C +ATOM 1072 C MET B 67 23.030 92.055 21.666 1.00 40.91 C +ATOM 1073 O MET B 67 23.620 92.868 22.394 1.00 44.37 O +ATOM 1074 CB MET B 67 23.876 89.677 21.365 1.00 65.45 C +ATOM 1075 CG MET B 67 25.345 90.114 21.406 1.00 77.51 C +ATOM 1076 SD MET B 67 26.277 89.595 19.903 1.00 92.60 S +ATOM 1077 CE MET B 67 26.847 87.959 20.402 1.00 91.51 C +ATOM 1078 H MET B 67 21.346 89.438 21.130 1.00 0.00 H +ATOM 1079 HA MET B 67 23.057 90.513 23.178 1.00 0.00 H +ATOM 1080 HB3 MET B 67 23.563 89.567 20.327 1.00 0.00 H +ATOM 1081 HB2 MET B 67 23.793 88.659 21.747 1.00 0.00 H +ATOM 1082 HG3 MET B 67 25.823 89.695 22.291 1.00 0.00 H +ATOM 1083 HG2 MET B 67 25.398 91.198 21.509 1.00 0.00 H +ATOM 1084 HE1 MET B 67 27.428 87.514 19.594 1.00 0.00 H +ATOM 1085 HE2 MET B 67 27.470 88.047 21.292 1.00 0.00 H +ATOM 1086 HE3 MET B 67 25.988 87.326 20.622 1.00 0.00 H +ATOM 1087 N ARG B 68 22.437 92.402 20.532 1.00 39.56 N +ATOM 1088 CA ARG B 68 22.447 93.801 20.100 1.00 41.85 C +ATOM 1089 C ARG B 68 21.734 94.715 21.063 1.00 43.34 C +ATOM 1090 O ARG B 68 22.239 95.780 21.450 1.00 38.09 O +ATOM 1091 CB ARG B 68 21.803 93.954 18.733 1.00 48.36 C +ATOM 1092 CG ARG B 68 21.782 95.380 18.242 1.00 60.75 C +ATOM 1093 CD ARG B 68 21.221 95.444 16.847 1.00 68.43 C +ATOM 1094 NE ARG B 68 19.782 95.204 16.853 1.00 70.08 N +ATOM 1095 CZ ARG B 68 19.135 94.264 16.138 1.00 74.63 C +ATOM 1096 NH1 ARG B 68 19.764 93.385 15.335 1.00 76.06 N +ATOM 1097 NH2 ARG B 68 17.827 94.188 16.227 1.00 64.84 N1+ +ATOM 1098 H ARG B 68 21.979 91.702 19.967 1.00 0.00 H +ATOM 1099 HA ARG B 68 23.484 94.127 20.026 1.00 0.00 H +ATOM 1100 HB3 ARG B 68 20.784 93.568 18.768 1.00 0.00 H +ATOM 1101 HB2 ARG B 68 22.332 93.331 18.012 1.00 0.00 H +ATOM 1102 HG3 ARG B 68 22.796 95.780 18.244 1.00 0.00 H +ATOM 1103 HG2 ARG B 68 21.167 95.984 18.909 1.00 0.00 H +ATOM 1104 HD3 ARG B 68 21.711 94.696 16.224 1.00 0.00 H +ATOM 1105 HD2 ARG B 68 21.423 96.426 16.419 1.00 0.00 H +ATOM 1106 HE ARG B 68 19.264 95.821 17.462 1.00 0.00 H +ATOM 1107 HH12 ARG B 68 19.230 92.699 14.820 1.00 0.00 H +ATOM 1108 HH11 ARG B 68 20.770 93.411 15.247 1.00 0.00 H +ATOM 1109 HH22 ARG B 68 17.325 93.489 15.698 1.00 0.00 H +ATOM 1110 HH21 ARG B 68 17.323 94.828 16.824 1.00 0.00 H +ATOM 1111 N ASP B 69 20.511 94.335 21.464 1.00 37.35 N +ATOM 1112 CA ASP B 69 19.790 95.131 22.468 1.00 38.48 C +ATOM 1113 C ASP B 69 20.623 95.323 23.742 1.00 31.47 C +ATOM 1114 O ASP B 69 20.610 96.432 24.320 1.00 34.56 O +ATOM 1115 CB ASP B 69 18.440 94.491 22.761 1.00 39.02 C +ATOM 1116 CG ASP B 69 17.438 94.625 21.527 1.00 46.71 C +ATOM 1117 OD1 ASP B 69 17.822 95.090 20.423 1.00 52.72 O +ATOM 1118 OD2 ASP B 69 16.258 94.216 21.681 1.00 55.91 O1- +ATOM 1119 H ASP B 69 20.088 93.504 21.076 1.00 0.00 H +ATOM 1120 HA ASP B 69 19.605 96.116 22.040 1.00 0.00 H +ATOM 1121 HB3 ASP B 69 17.999 94.962 23.639 1.00 0.00 H +ATOM 1122 HB2 ASP B 69 18.583 93.437 23.000 1.00 0.00 H +ATOM 1123 N GLN B 70 21.347 94.271 24.187 1.00 35.53 N +ATOM 1124 CA GLN B 70 22.096 94.381 25.408 1.00 37.21 C +ATOM 1125 C GLN B 70 23.221 95.436 25.298 1.00 39.30 C +ATOM 1126 O GLN B 70 23.404 96.270 26.207 1.00 35.44 O +ATOM 1127 CB GLN B 70 22.667 93.036 25.830 1.00 51.33 C +ATOM 1128 CG GLN B 70 23.561 93.047 27.086 1.00 61.72 C +ATOM 1129 CD GLN B 70 22.832 93.549 28.357 1.00 69.89 C +ATOM 1130 OE1 GLN B 70 22.597 92.768 29.300 1.00 83.76 O +ATOM 1131 NE2 GLN B 70 22.481 94.840 28.403 1.00 62.14 N +ATOM 1132 H GLN B 70 21.361 93.409 23.661 1.00 0.00 H +ATOM 1133 HA GLN B 70 21.410 94.709 26.189 1.00 0.00 H +ATOM 1134 HB3 GLN B 70 23.222 92.604 24.997 1.00 0.00 H +ATOM 1135 HB2 GLN B 70 21.851 92.329 25.976 1.00 0.00 H +ATOM 1136 HG3 GLN B 70 24.437 93.669 26.901 1.00 0.00 H +ATOM 1137 HG2 GLN B 70 23.948 92.044 27.263 1.00 0.00 H +ATOM 1138 HE22 GLN B 70 22.004 95.205 29.215 1.00 0.00 H +ATOM 1139 HE21 GLN B 70 22.693 95.449 27.626 1.00 0.00 H +ATOM 1140 N TYR B 71 23.961 95.434 24.195 1.00 33.29 N +ATOM 1141 CA TYR B 71 25.029 96.457 24.101 1.00 32.38 C +ATOM 1142 C TYR B 71 24.481 97.851 23.877 1.00 27.55 C +ATOM 1143 O TYR B 71 25.057 98.846 24.351 1.00 30.77 O +ATOM 1144 CB TYR B 71 26.089 96.073 23.096 1.00 34.74 C +ATOM 1145 CG TYR B 71 25.766 96.089 21.598 1.00 27.92 C +ATOM 1146 CD1 TYR B 71 25.472 97.249 20.940 1.00 26.29 C +ATOM 1147 CD2 TYR B 71 25.920 94.931 20.843 1.00 31.55 C +ATOM 1148 CE1 TYR B 71 25.239 97.257 19.574 1.00 28.08 C +ATOM 1149 CE2 TYR B 71 25.709 94.891 19.479 1.00 29.80 C +ATOM 1150 CZ TYR B 71 25.378 96.087 18.852 1.00 30.36 C +ATOM 1151 OH TYR B 71 25.108 96.174 17.497 1.00 35.44 O +ATOM 1152 H TYR B 71 23.783 94.755 23.469 1.00 0.00 H +ATOM 1153 HA TYR B 71 25.522 96.475 25.073 1.00 0.00 H +ATOM 1154 HB3 TYR B 71 26.490 95.095 23.361 1.00 0.00 H +ATOM 1155 HB2 TYR B 71 26.979 96.676 23.273 1.00 0.00 H +ATOM 1156 HD1 TYR B 71 25.418 98.180 21.485 1.00 0.00 H +ATOM 1157 HD2 TYR B 71 26.217 94.010 21.322 1.00 0.00 H +ATOM 1158 HE1 TYR B 71 24.951 98.174 19.081 1.00 0.00 H +ATOM 1159 HE2 TYR B 71 25.803 93.957 18.945 1.00 0.00 H +ATOM 1160 HH TYR B 71 25.233 95.314 17.089 1.00 0.00 H +ATOM 1161 N MET B 72 23.348 97.976 23.219 1.00 27.85 N +ATOM 1162 CA MET B 72 22.744 99.279 23.082 1.00 26.23 C +ATOM 1163 C MET B 72 22.232 99.810 24.405 1.00 31.09 C +ATOM 1164 O MET B 72 22.283 101.014 24.645 1.00 30.40 O +ATOM 1165 CB MET B 72 21.660 99.283 22.029 1.00 30.13 C +ATOM 1166 CG MET B 72 22.181 99.011 20.648 1.00 33.51 C +ATOM 1167 SD MET B 72 20.955 99.264 19.352 1.00 31.66 S +ATOM 1168 CE MET B 72 22.102 99.197 17.917 1.00 34.52 C +ATOM 1169 H MET B 72 22.907 97.163 22.814 1.00 0.00 H +ATOM 1170 HA MET B 72 23.524 99.961 22.743 1.00 0.00 H +ATOM 1171 HB3 MET B 72 21.148 100.245 22.040 1.00 0.00 H +ATOM 1172 HB2 MET B 72 20.905 98.539 22.284 1.00 0.00 H +ATOM 1173 HG3 MET B 72 22.555 97.988 20.597 1.00 0.00 H +ATOM 1174 HG2 MET B 72 23.046 99.646 20.456 1.00 0.00 H +ATOM 1175 HE1 MET B 72 21.539 99.334 16.994 1.00 0.00 H +ATOM 1176 HE2 MET B 72 22.846 99.988 18.009 1.00 0.00 H +ATOM 1177 HE3 MET B 72 22.602 98.229 17.896 1.00 0.00 H +ATOM 1178 N ARG B 73 21.740 98.931 25.289 1.00 27.46 N +ATOM 1179 CA ARG B 73 21.287 99.414 26.580 1.00 33.55 C +ATOM 1180 C ARG B 73 22.499 99.850 27.429 1.00 29.09 C +ATOM 1181 O ARG B 73 22.408 100.805 28.200 1.00 31.16 O +ATOM 1182 CB ARG B 73 20.460 98.350 27.309 1.00 33.23 C +ATOM 1183 CG ARG B 73 18.944 98.339 26.865 1.00 41.93 C +ATOM 1184 CD ARG B 73 18.084 97.606 27.898 1.00 50.24 C +ATOM 1185 NE ARG B 73 18.614 96.252 28.085 1.00 57.72 N +ATOM 1186 CZ ARG B 73 18.421 95.204 27.280 1.00 70.36 C +ATOM 1187 NH1 ARG B 73 17.648 95.283 26.211 1.00 71.63 N +ATOM 1188 NH2 ARG B 73 19.043 94.044 27.526 1.00 69.60 N1+ +ATOM 1189 H ARG B 73 21.689 97.951 25.052 1.00 0.00 H +ATOM 1190 HA ARG B 73 20.654 100.286 26.416 1.00 0.00 H +ATOM 1191 HB3 ARG B 73 20.521 98.518 28.384 1.00 0.00 H +ATOM 1192 HB2 ARG B 73 20.897 97.367 27.131 1.00 0.00 H +ATOM 1193 HG3 ARG B 73 18.852 97.843 25.899 1.00 0.00 H +ATOM 1194 HG2 ARG B 73 18.589 99.364 26.759 1.00 0.00 H +ATOM 1195 HD3 ARG B 73 17.056 97.547 27.539 1.00 0.00 H +ATOM 1196 HD2 ARG B 73 18.118 98.143 28.846 1.00 0.00 H +ATOM 1197 HE ARG B 73 19.174 96.152 28.919 1.00 0.00 H +ATOM 1198 HH12 ARG B 73 17.520 94.474 25.620 1.00 0.00 H +ATOM 1199 HH11 ARG B 73 17.185 96.152 25.985 1.00 0.00 H +ATOM 1200 HH22 ARG B 73 18.896 93.253 26.916 1.00 0.00 H +ATOM 1201 HH21 ARG B 73 19.660 93.960 28.322 1.00 0.00 H +ATOM 1202 N THR B 74 23.591 99.117 27.301 1.00 26.73 N +ATOM 1203 CA THR B 74 24.780 99.348 28.160 1.00 28.60 C +ATOM 1204 C THR B 74 25.557 100.562 27.679 1.00 30.22 C +ATOM 1205 O THR B 74 26.128 101.308 28.497 1.00 27.89 O +ATOM 1206 CB THR B 74 25.703 98.114 28.161 1.00 33.89 C +ATOM 1207 OG1 THR B 74 25.023 97.030 28.833 1.00 37.86 O +ATOM 1208 CG2 THR B 74 27.009 98.355 28.866 1.00 39.59 C +ATOM 1209 H THR B 74 23.628 98.383 26.608 1.00 0.00 H +ATOM 1210 HA THR B 74 24.443 99.532 29.180 1.00 0.00 H +ATOM 1211 HB THR B 74 25.905 97.821 27.131 1.00 0.00 H +ATOM 1212 HG1 THR B 74 25.587 96.254 28.841 1.00 0.00 H +ATOM 1213 HG21 THR B 74 27.614 97.449 28.832 1.00 0.00 H +ATOM 1214 HG22 THR B 74 27.544 99.167 28.373 1.00 0.00 H +ATOM 1215 HG23 THR B 74 26.817 98.625 29.905 1.00 0.00 H +ATOM 1216 N GLY B 75 25.588 100.770 26.356 1.00 26.26 N +ATOM 1217 CA GLY B 75 26.366 101.887 25.815 1.00 24.04 C +ATOM 1218 C GLY B 75 25.896 103.247 26.254 1.00 22.44 C +ATOM 1219 O GLY B 75 24.696 103.539 26.288 1.00 23.77 O +ATOM 1220 H GLY B 75 25.076 100.158 25.736 1.00 0.00 H +ATOM 1221 HA3 GLY B 75 26.360 101.837 24.726 1.00 0.00 H +ATOM 1222 HA2 GLY B 75 27.414 101.762 26.087 1.00 0.00 H +ATOM 1223 N GLU B 76 26.846 104.140 26.545 1.00 19.43 N +ATOM 1224 CA GLU B 76 26.526 105.526 26.863 1.00 21.88 C +ATOM 1225 C GLU B 76 26.609 106.461 25.710 1.00 20.68 C +ATOM 1226 O GLU B 76 25.994 107.506 25.686 1.00 23.14 O +ATOM 1227 CB GLU B 76 27.472 106.024 27.955 1.00 25.92 C +ATOM 1228 CG GLU B 76 27.307 105.346 29.302 1.00 28.48 C +ATOM 1229 CD GLU B 76 28.458 105.883 30.232 1.00 36.25 C +ATOM 1230 OE1 GLU B 76 28.293 106.947 30.896 1.00 36.65 O +ATOM 1231 OE2 GLU B 76 29.545 105.230 30.204 1.00 32.95 O1- +ATOM 1232 H GLU B 76 27.817 103.861 26.549 1.00 0.00 H +ATOM 1233 HA GLU B 76 25.509 105.559 27.254 1.00 0.00 H +ATOM 1234 HB3 GLU B 76 27.349 107.100 28.076 1.00 0.00 H +ATOM 1235 HB2 GLU B 76 28.503 105.911 27.618 1.00 0.00 H +ATOM 1236 HG3 GLU B 76 27.412 104.268 29.181 1.00 0.00 H +ATOM 1237 HG2 GLU B 76 26.341 105.616 29.728 1.00 0.00 H +ATOM 1238 N GLY B 77 27.410 106.108 24.719 1.00 18.49 N +ATOM 1239 CA GLY B 77 27.536 106.933 23.522 1.00 16.57 C +ATOM 1240 C GLY B 77 27.889 106.044 22.340 1.00 15.88 C +ATOM 1241 O GLY B 77 28.458 104.997 22.505 1.00 18.04 O +ATOM 1242 H GLY B 77 27.947 105.255 24.783 1.00 0.00 H +ATOM 1243 HA3 GLY B 77 28.325 107.670 23.670 1.00 0.00 H +ATOM 1244 HA2 GLY B 77 26.589 107.437 23.327 1.00 0.00 H +ATOM 1245 N PHE B 78 27.486 106.529 21.163 1.00 16.65 N +ATOM 1246 CA PHE B 78 27.600 105.730 19.968 1.00 15.20 C +ATOM 1247 C PHE B 78 28.289 106.494 18.839 1.00 16.90 C +ATOM 1248 O PHE B 78 27.957 107.633 18.534 1.00 17.59 O +ATOM 1249 CB PHE B 78 26.166 105.315 19.533 1.00 16.48 C +ATOM 1250 CG PHE B 78 25.458 104.485 20.551 1.00 16.54 C +ATOM 1251 CD1 PHE B 78 24.906 105.041 21.650 1.00 17.31 C +ATOM 1252 CD2 PHE B 78 25.488 103.089 20.446 1.00 18.99 C +ATOM 1253 CE1 PHE B 78 24.363 104.234 22.660 1.00 18.44 C +ATOM 1254 CE2 PHE B 78 24.908 102.284 21.410 1.00 22.17 C +ATOM 1255 CZ PHE B 78 24.398 102.865 22.545 1.00 19.79 C +ATOM 1256 H PHE B 78 27.099 107.460 21.106 1.00 0.00 H +ATOM 1257 HA PHE B 78 28.177 104.833 20.194 1.00 0.00 H +ATOM 1258 HB3 PHE B 78 26.218 104.767 18.592 1.00 0.00 H +ATOM 1259 HB2 PHE B 78 25.579 106.209 19.323 1.00 0.00 H +ATOM 1260 HD1 PHE B 78 24.880 106.115 21.757 1.00 0.00 H +ATOM 1261 HD2 PHE B 78 25.970 102.621 19.600 1.00 0.00 H +ATOM 1262 HE1 PHE B 78 23.915 104.688 23.532 1.00 0.00 H +ATOM 1263 HE2 PHE B 78 24.861 101.215 21.264 1.00 0.00 H +ATOM 1264 HZ PHE B 78 24.024 102.246 23.347 1.00 0.00 H +ATOM 1265 N LEU B 79 29.292 105.857 18.183 1.00 15.93 N +ATOM 1266 CA LEU B 79 29.811 106.359 16.976 1.00 17.80 C +ATOM 1267 C LEU B 79 29.024 105.652 15.842 1.00 17.54 C +ATOM 1268 O LEU B 79 29.052 104.439 15.788 1.00 18.22 O +ATOM 1269 CB LEU B 79 31.286 106.015 16.756 1.00 20.71 C +ATOM 1270 CG LEU B 79 32.326 106.651 17.617 1.00 23.75 C +ATOM 1271 CD1 LEU B 79 33.731 106.295 17.056 1.00 22.68 C +ATOM 1272 CD2 LEU B 79 32.197 108.161 17.556 1.00 21.17 C +ATOM 1273 H LEU B 79 29.681 105.005 18.560 1.00 0.00 H +ATOM 1274 HA LEU B 79 29.663 107.438 16.922 1.00 0.00 H +ATOM 1275 HB3 LEU B 79 31.538 106.187 15.710 1.00 0.00 H +ATOM 1276 HB2 LEU B 79 31.407 104.932 16.794 1.00 0.00 H +ATOM 1277 HG LEU B 79 32.230 106.304 18.646 1.00 0.00 H +ATOM 1278 HD11 LEU B 79 34.499 106.755 17.678 1.00 0.00 H +ATOM 1279 HD12 LEU B 79 33.861 105.213 17.060 1.00 0.00 H +ATOM 1280 HD13 LEU B 79 33.820 106.667 16.035 1.00 0.00 H +ATOM 1281 HD21 LEU B 79 32.960 108.617 18.187 1.00 0.00 H +ATOM 1282 HD22 LEU B 79 32.329 108.496 16.527 1.00 0.00 H +ATOM 1283 HD23 LEU B 79 31.209 108.456 17.910 1.00 0.00 H +ATOM 1284 N CYS B 80 28.345 106.414 15.016 1.00 17.95 N +ATOM 1285 CA CYS B 80 27.594 105.894 13.897 1.00 18.16 C +ATOM 1286 C CYS B 80 28.435 106.109 12.651 1.00 15.62 C +ATOM 1287 O CYS B 80 28.564 107.260 12.177 1.00 17.10 O +ATOM 1288 CB CYS B 80 26.283 106.625 13.755 1.00 19.73 C +ATOM 1289 SG CYS B 80 25.184 106.334 15.188 1.00 25.20 S +ATOM 1290 H CYS B 80 28.331 107.415 15.148 1.00 0.00 H +ATOM 1291 HA CYS B 80 27.410 104.829 14.039 1.00 0.00 H +ATOM 1292 HB3 CYS B 80 25.783 106.299 12.843 1.00 0.00 H +ATOM 1293 HB2 CYS B 80 26.473 107.694 13.655 1.00 0.00 H +ATOM 1294 HG CYS B 80 24.039 107.001 15.015 1.00 0.00 H +ATOM 1295 N VAL B 81 28.973 105.002 12.126 1.00 16.37 N +ATOM 1296 CA VAL B 81 30.033 105.057 11.093 1.00 17.14 C +ATOM 1297 C VAL B 81 29.421 104.687 9.730 1.00 16.50 C +ATOM 1298 O VAL B 81 28.770 103.654 9.618 1.00 16.42 O +ATOM 1299 CB VAL B 81 31.182 104.148 11.412 1.00 16.32 C +ATOM 1300 CG1 VAL B 81 32.287 104.376 10.390 1.00 16.69 C +ATOM 1301 CG2 VAL B 81 31.685 104.400 12.838 1.00 16.09 C +ATOM 1302 H VAL B 81 28.658 104.093 12.433 1.00 0.00 H +ATOM 1303 HA VAL B 81 30.407 106.079 11.037 1.00 0.00 H +ATOM 1304 HB VAL B 81 30.843 103.115 11.337 1.00 0.00 H +ATOM 1305 HG11 VAL B 81 33.129 103.720 10.612 1.00 0.00 H +ATOM 1306 HG12 VAL B 81 31.910 104.157 9.391 1.00 0.00 H +ATOM 1307 HG13 VAL B 81 32.615 105.415 10.434 1.00 0.00 H +ATOM 1308 HG21 VAL B 81 32.519 103.732 13.053 1.00 0.00 H +ATOM 1309 HG22 VAL B 81 32.016 105.435 12.930 1.00 0.00 H +ATOM 1310 HG23 VAL B 81 30.878 104.213 13.547 1.00 0.00 H +ATOM 1311 N PHE B 82 29.705 105.522 8.713 1.00 15.83 N +ATOM 1312 CA PHE B 82 29.505 105.105 7.323 1.00 15.77 C +ATOM 1313 C PHE B 82 30.815 105.317 6.588 1.00 16.63 C +ATOM 1314 O PHE B 82 31.754 105.924 7.146 1.00 15.62 O +ATOM 1315 CB PHE B 82 28.378 105.894 6.662 1.00 15.60 C +ATOM 1316 CG PHE B 82 28.665 107.345 6.442 1.00 15.97 C +ATOM 1317 CD1 PHE B 82 28.504 108.298 7.447 1.00 15.89 C +ATOM 1318 CD2 PHE B 82 29.124 107.782 5.234 1.00 16.42 C +ATOM 1319 CE1 PHE B 82 28.760 109.624 7.235 1.00 16.42 C +ATOM 1320 CE2 PHE B 82 29.389 109.124 5.030 1.00 15.27 C +ATOM 1321 CZ PHE B 82 29.213 110.036 5.993 1.00 16.36 C +ATOM 1322 H PHE B 82 30.060 106.448 8.904 1.00 0.00 H +ATOM 1323 HA PHE B 82 29.255 104.044 7.303 1.00 0.00 H +ATOM 1324 HB3 PHE B 82 27.470 105.792 7.256 1.00 0.00 H +ATOM 1325 HB2 PHE B 82 28.122 105.429 5.710 1.00 0.00 H +ATOM 1326 HD1 PHE B 82 28.168 107.997 8.428 1.00 0.00 H +ATOM 1327 HD2 PHE B 82 29.283 107.079 4.430 1.00 0.00 H +ATOM 1328 HE1 PHE B 82 28.609 110.337 8.032 1.00 0.00 H +ATOM 1329 HE2 PHE B 82 29.750 109.463 4.070 1.00 0.00 H +ATOM 1330 HZ PHE B 82 29.419 111.081 5.813 1.00 0.00 H +ATOM 1331 N ALA B 83 30.891 104.794 5.370 1.00 15.81 N +ATOM 1332 CA ALA B 83 32.081 105.007 4.525 1.00 15.20 C +ATOM 1333 C ALA B 83 31.708 105.969 3.419 1.00 16.71 C +ATOM 1334 O ALA B 83 30.642 105.849 2.780 1.00 18.34 O +ATOM 1335 CB ALA B 83 32.565 103.720 3.942 1.00 16.53 C +ATOM 1336 H ALA B 83 30.127 104.241 5.009 1.00 0.00 H +ATOM 1337 HA ALA B 83 32.875 105.447 5.129 1.00 0.00 H +ATOM 1338 HB1 ALA B 83 33.443 103.908 3.324 1.00 0.00 H +ATOM 1339 HB2 ALA B 83 32.828 103.032 4.746 1.00 0.00 H +ATOM 1340 HB3 ALA B 83 31.778 103.279 3.330 1.00 0.00 H +ATOM 1341 N ILE B 84 32.589 106.946 3.163 1.00 17.77 N +ATOM 1342 CA ILE B 84 32.269 108.002 2.211 1.00 19.72 C +ATOM 1343 C ILE B 84 32.197 107.549 0.756 1.00 21.20 C +ATOM 1344 O ILE B 84 31.706 108.326 -0.083 1.00 22.91 O +ATOM 1345 CB ILE B 84 33.195 109.218 2.331 1.00 21.57 C +ATOM 1346 CG1 ILE B 84 34.620 108.803 1.899 1.00 23.77 C +ATOM 1347 CG2 ILE B 84 33.115 109.832 3.740 1.00 22.99 C +ATOM 1348 CD1 ILE B 84 35.344 109.892 1.205 1.00 34.43 C +ATOM 1349 H ILE B 84 33.484 106.955 3.631 1.00 0.00 H +ATOM 1350 HA ILE B 84 31.270 108.353 2.470 1.00 0.00 H +ATOM 1351 HB ILE B 84 32.843 109.970 1.624 1.00 0.00 H +ATOM 1352 HG13 ILE B 84 34.561 107.933 1.245 1.00 0.00 H +ATOM 1353 HG12 ILE B 84 35.188 108.492 2.776 1.00 0.00 H +ATOM 1354 HG21 ILE B 84 33.781 110.693 3.800 1.00 0.00 H +ATOM 1355 HG22 ILE B 84 32.092 110.150 3.941 1.00 0.00 H +ATOM 1356 HG23 ILE B 84 33.416 109.089 4.478 1.00 0.00 H +ATOM 1357 HD11 ILE B 84 36.339 109.546 0.924 1.00 0.00 H +ATOM 1358 HD12 ILE B 84 34.794 110.182 0.310 1.00 0.00 H +ATOM 1359 HD13 ILE B 84 35.433 110.751 1.870 1.00 0.00 H +ATOM 1360 N ASN B 85 32.606 106.317 0.469 1.00 21.69 N +ATOM 1361 CA ASN B 85 32.478 105.731 -0.829 1.00 22.82 C +ATOM 1362 C ASN B 85 31.393 104.689 -0.933 1.00 22.12 C +ATOM 1363 O ASN B 85 31.393 103.853 -1.870 1.00 24.32 O +ATOM 1364 CB ASN B 85 33.802 105.121 -1.275 1.00 25.23 C +ATOM 1365 CG ASN B 85 34.225 103.935 -0.412 1.00 27.36 C +ATOM 1366 OD1 ASN B 85 33.739 103.740 0.712 1.00 23.24 O +ATOM 1367 ND2 ASN B 85 35.134 103.127 -0.932 1.00 28.28 N +ATOM 1368 H ASN B 85 33.031 105.746 1.186 1.00 0.00 H +ATOM 1369 HA ASN B 85 32.233 106.531 -1.528 1.00 0.00 H +ATOM 1370 HB3 ASN B 85 34.580 105.884 -1.248 1.00 0.00 H +ATOM 1371 HB2 ASN B 85 33.722 104.802 -2.314 1.00 0.00 H +ATOM 1372 HD22 ASN B 85 35.455 102.324 -0.409 1.00 0.00 H +ATOM 1373 HD21 ASN B 85 35.508 103.313 -1.852 1.00 0.00 H +ATOM 1374 N ASN B 86 30.482 104.639 0.044 1.00 21.26 N +ATOM 1375 CA ASN B 86 29.457 103.585 0.116 1.00 20.72 C +ATOM 1376 C ASN B 86 28.126 104.299 0.489 1.00 22.79 C +ATOM 1377 O ASN B 86 27.809 104.519 1.667 1.00 21.17 O +ATOM 1378 CB ASN B 86 29.858 102.507 1.110 1.00 20.30 C +ATOM 1379 CG ASN B 86 28.823 101.387 1.292 1.00 28.49 C +ATOM 1380 OD1 ASN B 86 27.694 101.509 0.950 1.00 24.25 O +ATOM 1381 ND2 ASN B 86 29.202 100.370 2.081 1.00 35.35 N +ATOM 1382 H ASN B 86 30.480 105.342 0.769 1.00 0.00 H +ATOM 1383 HA ASN B 86 29.349 103.132 -0.869 1.00 0.00 H +ATOM 1384 HB3 ASN B 86 30.066 102.966 2.076 1.00 0.00 H +ATOM 1385 HB2 ASN B 86 30.810 102.072 0.806 1.00 0.00 H +ATOM 1386 HD22 ASN B 86 28.573 99.598 2.246 1.00 0.00 H +ATOM 1387 HD21 ASN B 86 30.117 100.377 2.509 1.00 0.00 H +ATOM 1388 N THR B 87 27.349 104.673 -0.534 1.00 23.54 N +ATOM 1389 CA THR B 87 26.084 105.384 -0.278 1.00 23.30 C +ATOM 1390 C THR B 87 25.119 104.574 0.549 1.00 20.42 C +ATOM 1391 O THR B 87 24.432 105.148 1.411 1.00 22.56 O +ATOM 1392 CB THR B 87 25.453 105.808 -1.664 1.00 28.27 C +ATOM 1393 OG1 THR B 87 26.352 106.762 -2.258 1.00 32.02 O +ATOM 1394 CG2 THR B 87 24.131 106.484 -1.480 1.00 30.31 C +ATOM 1395 H THR B 87 27.629 104.468 -1.482 1.00 0.00 H +ATOM 1396 HA THR B 87 26.317 106.293 0.276 1.00 0.00 H +ATOM 1397 HB THR B 87 25.345 104.938 -2.311 1.00 0.00 H +ATOM 1398 HG1 THR B 87 26.003 107.046 -3.106 1.00 0.00 H +ATOM 1399 HG21 THR B 87 23.726 106.762 -2.453 1.00 0.00 H +ATOM 1400 HG22 THR B 87 23.441 105.804 -0.981 1.00 0.00 H +ATOM 1401 HG23 THR B 87 24.262 107.379 -0.872 1.00 0.00 H +ATOM 1402 N LYS B 88 25.064 103.280 0.366 1.00 21.95 N +ATOM 1403 CA LYS B 88 24.175 102.438 1.166 1.00 25.10 C +ATOM 1404 C LYS B 88 24.489 102.532 2.661 1.00 22.83 C +ATOM 1405 O LYS B 88 23.596 102.611 3.495 1.00 19.44 O +ATOM 1406 CB LYS B 88 24.202 100.989 0.735 1.00 29.99 C +ATOM 1407 CG LYS B 88 23.442 100.840 -0.568 1.00 37.65 C +ATOM 1408 CD LYS B 88 23.395 99.374 -1.033 1.00 47.38 C +ATOM 1409 CE LYS B 88 22.643 99.244 -2.364 1.00 53.82 C +ATOM 1410 NZ LYS B 88 21.229 99.806 -2.353 1.00 55.85 N1+ +ATOM 1411 H LYS B 88 25.642 102.845 -0.338 1.00 0.00 H +ATOM 1412 HA LYS B 88 23.159 102.804 1.021 1.00 0.00 H +ATOM 1413 HB3 LYS B 88 23.732 100.373 1.502 1.00 0.00 H +ATOM 1414 HB2 LYS B 88 25.235 100.672 0.591 1.00 0.00 H +ATOM 1415 HG3 LYS B 88 23.917 101.449 -1.337 1.00 0.00 H +ATOM 1416 HG2 LYS B 88 22.426 101.213 -0.440 1.00 0.00 H +ATOM 1417 HD3 LYS B 88 22.898 98.769 -0.275 1.00 0.00 H +ATOM 1418 HD2 LYS B 88 24.411 98.998 -1.152 1.00 0.00 H +ATOM 1419 HE3 LYS B 88 22.612 98.195 -2.660 1.00 0.00 H +ATOM 1420 HE2 LYS B 88 23.218 99.730 -3.152 1.00 0.00 H +ATOM 1421 HZ1 LYS B 88 20.809 99.680 -3.263 1.00 0.00 H +ATOM 1422 HZ2 LYS B 88 20.679 99.321 -1.659 1.00 0.00 H +ATOM 1423 HZ3 LYS B 88 21.259 100.791 -2.130 1.00 0.00 H +ATOM 1424 N SER B 89 25.793 102.580 2.990 1.00 19.99 N +ATOM 1425 CA SER B 89 26.150 102.704 4.407 1.00 19.14 C +ATOM 1426 C SER B 89 25.672 104.006 5.018 1.00 16.68 C +ATOM 1427 O SER B 89 25.343 104.065 6.177 1.00 19.14 O +ATOM 1428 CB SER B 89 27.683 102.477 4.651 1.00 19.12 C +ATOM 1429 OG SER B 89 28.436 103.584 4.174 1.00 17.79 O +ATOM 1430 H SER B 89 26.498 102.531 2.268 1.00 0.00 H +ATOM 1431 HA SER B 89 25.629 101.903 4.931 1.00 0.00 H +ATOM 1432 HB3 SER B 89 28.002 101.571 4.135 1.00 0.00 H +ATOM 1433 HB2 SER B 89 27.865 102.347 5.718 1.00 0.00 H +ATOM 1434 HG SER B 89 29.370 103.428 4.331 1.00 0.00 H +ATOM 1435 N PHE B 90 25.663 105.088 4.210 1.00 17.95 N +ATOM 1436 CA PHE B 90 25.190 106.366 4.645 1.00 18.40 C +ATOM 1437 C PHE B 90 23.654 106.340 4.827 1.00 20.45 C +ATOM 1438 O PHE B 90 23.145 106.848 5.831 1.00 19.75 O +ATOM 1439 CB PHE B 90 25.597 107.429 3.670 1.00 20.58 C +ATOM 1440 CG PHE B 90 25.146 108.809 4.035 1.00 19.26 C +ATOM 1441 CD1 PHE B 90 25.646 109.479 5.126 1.00 20.42 C +ATOM 1442 CD2 PHE B 90 24.145 109.463 3.256 1.00 26.53 C +ATOM 1443 CE1 PHE B 90 25.233 110.764 5.455 1.00 20.65 C +ATOM 1444 CE2 PHE B 90 23.668 110.714 3.632 1.00 29.51 C +ATOM 1445 CZ PHE B 90 24.247 111.405 4.696 1.00 24.48 C +ATOM 1446 H PHE B 90 25.999 105.012 3.260 1.00 0.00 H +ATOM 1447 HA PHE B 90 25.646 106.591 5.609 1.00 0.00 H +ATOM 1448 HB3 PHE B 90 25.218 107.175 2.680 1.00 0.00 H +ATOM 1449 HB2 PHE B 90 26.681 107.421 3.559 1.00 0.00 H +ATOM 1450 HD1 PHE B 90 26.384 109.007 5.758 1.00 0.00 H +ATOM 1451 HD2 PHE B 90 23.754 108.986 2.369 1.00 0.00 H +ATOM 1452 HE1 PHE B 90 25.673 111.273 6.300 1.00 0.00 H +ATOM 1453 HE2 PHE B 90 22.841 111.159 3.098 1.00 0.00 H +ATOM 1454 HZ PHE B 90 23.949 112.414 4.939 1.00 0.00 H +ATOM 1455 N GLU B 91 22.974 105.717 3.896 1.00 22.47 N +ATOM 1456 CA GLU B 91 21.484 105.564 4.036 1.00 22.48 C +ATOM 1457 C GLU B 91 21.103 104.723 5.224 1.00 24.00 C +ATOM 1458 O GLU B 91 20.041 105.020 5.842 1.00 26.71 O +ATOM 1459 CB GLU B 91 20.905 104.945 2.736 1.00 23.17 C +ATOM 1460 CG GLU B 91 21.025 105.904 1.524 1.00 26.71 C +ATOM 1461 CD GLU B 91 20.747 105.222 0.183 1.00 31.42 C +ATOM 1462 OE1 GLU B 91 20.684 103.977 0.124 1.00 37.40 O +ATOM 1463 OE2 GLU B 91 20.694 105.961 -0.830 1.00 36.93 O1- +ATOM 1464 H GLU B 91 23.450 105.342 3.088 1.00 0.00 H +ATOM 1465 HA GLU B 91 21.049 106.555 4.166 1.00 0.00 H +ATOM 1466 HB3 GLU B 91 19.857 104.688 2.892 1.00 0.00 H +ATOM 1467 HB2 GLU B 91 21.427 104.014 2.514 1.00 0.00 H +ATOM 1468 HG3 GLU B 91 22.023 106.343 1.507 1.00 0.00 H +ATOM 1469 HG2 GLU B 91 20.337 106.740 1.654 1.00 0.00 H +ATOM 1470 N ASP B 92 21.939 103.802 5.646 1.00 19.73 N +ATOM 1471 CA ASP B 92 21.703 102.992 6.818 1.00 22.07 C +ATOM 1472 C ASP B 92 21.769 103.783 8.166 1.00 19.99 C +ATOM 1473 O ASP B 92 21.234 103.329 9.195 1.00 19.90 O +ATOM 1474 CB ASP B 92 22.709 101.847 6.953 1.00 26.89 C +ATOM 1475 CG ASP B 92 22.573 100.725 5.917 1.00 36.32 C +ATOM 1476 OD1 ASP B 92 21.510 100.583 5.302 1.00 31.53 O +ATOM 1477 OD2 ASP B 92 23.541 99.929 5.738 1.00 36.66 O1- +ATOM 1478 H ASP B 92 22.798 103.631 5.143 1.00 0.00 H +ATOM 1479 HA ASP B 92 20.707 102.557 6.731 1.00 0.00 H +ATOM 1480 HB3 ASP B 92 22.639 101.423 7.955 1.00 0.00 H +ATOM 1481 HB2 ASP B 92 23.721 102.250 6.916 1.00 0.00 H +ATOM 1482 N ILE B 93 22.508 104.888 8.194 1.00 19.13 N +ATOM 1483 CA ILE B 93 22.756 105.615 9.430 1.00 19.43 C +ATOM 1484 C ILE B 93 21.456 105.963 10.168 1.00 17.62 C +ATOM 1485 O ILE B 93 21.352 105.743 11.366 1.00 18.85 O +ATOM 1486 CB ILE B 93 23.541 106.924 9.208 1.00 19.96 C +ATOM 1487 CG1 ILE B 93 24.965 106.587 8.822 1.00 19.31 C +ATOM 1488 CG2 ILE B 93 23.466 107.890 10.393 1.00 18.34 C +ATOM 1489 CD1 ILE B 93 25.819 106.022 9.860 1.00 19.25 C +ATOM 1490 H ILE B 93 22.915 105.245 7.341 1.00 0.00 H +ATOM 1491 HA ILE B 93 23.350 104.975 10.082 1.00 0.00 H +ATOM 1492 HB ILE B 93 23.088 107.428 8.354 1.00 0.00 H +ATOM 1493 HG13 ILE B 93 25.444 107.475 8.408 1.00 0.00 H +ATOM 1494 HG12 ILE B 93 24.954 105.916 7.963 1.00 0.00 H +ATOM 1495 HG21 ILE B 93 24.040 108.788 10.167 1.00 0.00 H +ATOM 1496 HG22 ILE B 93 22.426 108.161 10.576 1.00 0.00 H +ATOM 1497 HG23 ILE B 93 23.878 107.410 11.281 1.00 0.00 H +ATOM 1498 HD11 ILE B 93 26.810 105.828 9.450 1.00 0.00 H +ATOM 1499 HD12 ILE B 93 25.900 106.727 10.688 1.00 0.00 H +ATOM 1500 HD13 ILE B 93 25.386 105.089 10.219 1.00 0.00 H +ATOM 1501 N HIS B 94 20.490 106.478 9.428 1.00 18.83 N +ATOM 1502 CA HIS B 94 19.202 106.817 10.092 1.00 18.03 C +ATOM 1503 C HIS B 94 18.614 105.633 10.842 1.00 16.66 C +ATOM 1504 O HIS B 94 18.088 105.761 11.948 1.00 18.36 O +ATOM 1505 CB HIS B 94 18.232 107.363 9.062 1.00 20.00 C +ATOM 1506 CG HIS B 94 16.953 107.785 9.657 1.00 21.31 C +ATOM 1507 ND1 HIS B 94 16.766 109.092 10.002 1.00 24.11 N +ATOM 1508 CD2 HIS B 94 15.786 107.139 9.912 1.00 23.45 C +ATOM 1509 CE1 HIS B 94 15.523 109.249 10.486 1.00 25.96 C +ATOM 1510 NE2 HIS B 94 14.934 108.066 10.491 1.00 20.42 N +ATOM 1511 H HIS B 94 20.637 106.631 8.441 1.00 0.00 H +ATOM 1512 HA HIS B 94 19.398 107.607 10.817 1.00 0.00 H +ATOM 1513 HB3 HIS B 94 18.045 106.604 8.302 1.00 0.00 H +ATOM 1514 HB2 HIS B 94 18.688 108.208 8.547 1.00 0.00 H +ATOM 1515 HD1 HIS B 94 17.512 109.760 9.873 1.00 0.00 H +ATOM 1516 HD2 HIS B 94 15.680 106.095 9.658 1.00 0.00 H +ATOM 1517 HE1 HIS B 94 15.180 110.228 10.786 1.00 0.00 H +ATOM 1518 N HIS B 95 18.691 104.440 10.255 1.00 16.55 N +ATOM 1519 CA HIS B 95 18.196 103.206 10.886 1.00 18.02 C +ATOM 1520 C HIS B 95 18.988 102.829 12.091 1.00 19.72 C +ATOM 1521 O HIS B 95 18.424 102.366 13.078 1.00 18.56 O +ATOM 1522 CB HIS B 95 18.164 102.043 9.881 1.00 18.53 C +ATOM 1523 CG HIS B 95 17.237 102.307 8.732 1.00 20.08 C +ATOM 1524 ND1 HIS B 95 15.862 102.602 8.894 1.00 22.89 N +ATOM 1525 CD2 HIS B 95 17.477 102.335 7.414 1.00 25.55 C +ATOM 1526 CE1 HIS B 95 15.346 102.773 7.686 1.00 26.71 C +ATOM 1527 NE2 HIS B 95 16.288 102.638 6.775 1.00 31.58 N +ATOM 1528 H HIS B 95 19.103 104.355 9.337 1.00 0.00 H +ATOM 1529 HA HIS B 95 17.172 103.390 11.210 1.00 0.00 H +ATOM 1530 HB3 HIS B 95 17.857 101.131 10.392 1.00 0.00 H +ATOM 1531 HB2 HIS B 95 19.170 101.864 9.501 1.00 0.00 H +ATOM 1532 HD1 HIS B 95 15.461 102.646 9.820 1.00 0.00 H +ATOM 1533 HD2 HIS B 95 18.471 102.137 7.042 1.00 0.00 H +ATOM 1534 HE1 HIS B 95 14.294 102.988 7.574 1.00 0.00 H +ATOM 1535 N TYR B 96 20.356 102.957 12.075 1.00 19.31 N +ATOM 1536 CA TYR B 96 21.109 102.692 13.299 1.00 18.32 C +ATOM 1537 C TYR B 96 20.726 103.669 14.417 1.00 16.36 C +ATOM 1538 O TYR B 96 20.534 103.218 15.578 1.00 20.73 O +ATOM 1539 CB TYR B 96 22.673 102.774 13.061 1.00 19.48 C +ATOM 1540 CG TYR B 96 23.199 101.604 12.326 1.00 17.06 C +ATOM 1541 CD1 TYR B 96 23.457 100.431 12.958 1.00 18.45 C +ATOM 1542 CD2 TYR B 96 23.505 101.693 11.008 1.00 19.10 C +ATOM 1543 CE1 TYR B 96 23.924 99.312 12.248 1.00 20.56 C +ATOM 1544 CE2 TYR B 96 23.944 100.615 10.277 1.00 21.23 C +ATOM 1545 CZ TYR B 96 24.180 99.440 10.909 1.00 20.27 C +ATOM 1546 OH TYR B 96 24.628 98.310 10.262 1.00 23.10 O +ATOM 1547 H TYR B 96 20.828 103.231 11.225 1.00 0.00 H +ATOM 1548 HA TYR B 96 20.869 101.683 13.633 1.00 0.00 H +ATOM 1549 HB3 TYR B 96 23.182 102.857 14.021 1.00 0.00 H +ATOM 1550 HB2 TYR B 96 22.908 103.684 12.509 1.00 0.00 H +ATOM 1551 HD1 TYR B 96 23.304 100.347 14.024 1.00 0.00 H +ATOM 1552 HD2 TYR B 96 23.407 102.638 10.493 1.00 0.00 H +ATOM 1553 HE1 TYR B 96 24.075 98.373 12.759 1.00 0.00 H +ATOM 1554 HE2 TYR B 96 24.097 100.711 9.212 1.00 0.00 H +ATOM 1555 HH TYR B 96 24.775 98.509 9.334 1.00 0.00 H +ATOM 1556 N ARG B 97 20.549 104.922 14.081 1.00 18.30 N +ATOM 1557 CA ARG B 97 20.129 105.909 15.094 1.00 17.98 C +ATOM 1558 C ARG B 97 18.749 105.555 15.690 1.00 19.09 C +ATOM 1559 O ARG B 97 18.528 105.589 16.881 1.00 20.09 O +ATOM 1560 CB ARG B 97 20.146 107.275 14.570 1.00 18.85 C +ATOM 1561 CG ARG B 97 19.580 108.325 15.473 1.00 19.72 C +ATOM 1562 CD ARG B 97 19.879 109.752 14.975 1.00 24.14 C +ATOM 1563 NE ARG B 97 19.136 110.747 15.769 1.00 27.18 N +ATOM 1564 CZ ARG B 97 19.572 111.443 16.798 1.00 38.09 C +ATOM 1565 NH1 ARG B 97 20.785 111.220 17.338 1.00 42.09 N +ATOM 1566 NH2 ARG B 97 18.758 112.383 17.328 1.00 39.53 N1+ +ATOM 1567 H ARG B 97 20.700 105.215 13.126 1.00 0.00 H +ATOM 1568 HA ARG B 97 20.853 105.866 15.907 1.00 0.00 H +ATOM 1569 HB3 ARG B 97 19.621 107.301 13.615 1.00 0.00 H +ATOM 1570 HB2 ARG B 97 21.167 107.544 14.301 1.00 0.00 H +ATOM 1571 HG3 ARG B 97 19.988 108.198 16.476 1.00 0.00 H +ATOM 1572 HG2 ARG B 97 18.502 108.189 15.556 1.00 0.00 H +ATOM 1573 HD3 ARG B 97 19.594 109.838 13.927 1.00 0.00 H +ATOM 1574 HD2 ARG B 97 20.948 109.948 15.056 1.00 0.00 H +ATOM 1575 HE ARG B 97 18.188 110.869 15.442 1.00 0.00 H +ATOM 1576 HH12 ARG B 97 21.095 111.769 18.127 1.00 0.00 H +ATOM 1577 HH11 ARG B 97 21.385 110.504 16.954 1.00 0.00 H +ATOM 1578 HH22 ARG B 97 19.067 112.932 18.118 1.00 0.00 H +ATOM 1579 HH21 ARG B 97 17.841 112.537 16.934 1.00 0.00 H +ATOM 1580 N GLU B 98 17.834 105.179 14.810 1.00 19.29 N +ATOM 1581 CA GLU B 98 16.471 104.772 15.285 1.00 20.24 C +ATOM 1582 C GLU B 98 16.528 103.511 16.163 1.00 21.05 C +ATOM 1583 O GLU B 98 15.821 103.453 17.151 1.00 23.28 O +ATOM 1584 CB GLU B 98 15.497 104.544 14.090 1.00 20.33 C +ATOM 1585 CG GLU B 98 15.086 105.786 13.427 1.00 20.68 C +ATOM 1586 CD GLU B 98 14.349 106.766 14.324 1.00 26.40 C +ATOM 1587 OE1 GLU B 98 13.421 106.398 15.080 1.00 29.69 O +ATOM 1588 OE2 GLU B 98 14.697 107.942 14.269 1.00 29.73 O1- +ATOM 1589 H GLU B 98 18.056 105.167 13.825 1.00 0.00 H +ATOM 1590 HA GLU B 98 16.072 105.585 15.892 1.00 0.00 H +ATOM 1591 HB3 GLU B 98 14.613 104.011 14.440 1.00 0.00 H +ATOM 1592 HB2 GLU B 98 15.967 103.883 13.361 1.00 0.00 H +ATOM 1593 HG3 GLU B 98 14.463 105.546 12.566 1.00 0.00 H +ATOM 1594 HG2 GLU B 98 15.962 106.275 13.001 1.00 0.00 H +ATOM 1595 N GLN B 99 17.369 102.551 15.840 1.00 22.33 N +ATOM 1596 CA GLN B 99 17.509 101.309 16.592 1.00 24.14 C +ATOM 1597 C GLN B 99 18.042 101.639 18.010 1.00 21.93 C +ATOM 1598 O GLN B 99 17.528 101.138 19.036 1.00 24.17 O +ATOM 1599 CB GLN B 99 18.479 100.366 15.899 1.00 29.90 C +ATOM 1600 CG GLN B 99 18.572 98.926 16.406 1.00 41.41 C +ATOM 1601 CD GLN B 99 19.218 98.037 15.282 1.00 51.27 C +ATOM 1602 OE1 GLN B 99 20.390 98.003 15.181 1.00 53.56 O +ATOM 1603 NE2 GLN B 99 18.435 97.302 14.466 1.00 49.89 N +ATOM 1604 H GLN B 99 17.964 102.652 15.030 1.00 0.00 H +ATOM 1605 HA GLN B 99 16.535 100.827 16.676 1.00 0.00 H +ATOM 1606 HB3 GLN B 99 19.474 100.811 15.904 1.00 0.00 H +ATOM 1607 HB2 GLN B 99 18.264 100.355 14.830 1.00 0.00 H +ATOM 1608 HG3 GLN B 99 17.572 98.555 16.632 1.00 0.00 H +ATOM 1609 HG2 GLN B 99 19.198 98.895 17.298 1.00 0.00 H +ATOM 1610 HE22 GLN B 99 18.852 96.732 13.745 1.00 0.00 H +ATOM 1611 HE21 GLN B 99 17.431 97.322 14.576 1.00 0.00 H +ATOM 1612 N ILE B 100 19.022 102.518 18.063 1.00 21.52 N +ATOM 1613 CA ILE B 100 19.558 102.966 19.358 1.00 23.48 C +ATOM 1614 C ILE B 100 18.510 103.716 20.216 1.00 21.87 C +ATOM 1615 O ILE B 100 18.343 103.402 21.391 1.00 25.80 O +ATOM 1616 CB ILE B 100 20.803 103.840 19.155 1.00 24.87 C +ATOM 1617 CG1 ILE B 100 21.922 102.989 18.594 1.00 23.52 C +ATOM 1618 CG2 ILE B 100 21.224 104.522 20.481 1.00 26.68 C +ATOM 1619 CD1 ILE B 100 22.928 103.838 17.872 1.00 21.77 C +ATOM 1620 H ILE B 100 19.413 102.891 17.209 1.00 0.00 H +ATOM 1621 HA ILE B 100 19.865 102.079 19.913 1.00 0.00 H +ATOM 1622 HB ILE B 100 20.564 104.617 18.429 1.00 0.00 H +ATOM 1623 HG13 ILE B 100 21.508 102.253 17.905 1.00 0.00 H +ATOM 1624 HG12 ILE B 100 22.414 102.455 19.407 1.00 0.00 H +ATOM 1625 HG21 ILE B 100 22.109 105.135 20.310 1.00 0.00 H +ATOM 1626 HG22 ILE B 100 20.410 105.151 20.841 1.00 0.00 H +ATOM 1627 HG23 ILE B 100 21.450 103.760 21.227 1.00 0.00 H +ATOM 1628 HD11 ILE B 100 23.723 103.205 17.478 1.00 0.00 H +ATOM 1629 HD12 ILE B 100 22.439 104.361 17.050 1.00 0.00 H +ATOM 1630 HD13 ILE B 100 23.353 104.565 18.563 1.00 0.00 H +ATOM 1631 N LYS B 101 17.803 104.630 19.618 1.00 21.62 N +ATOM 1632 CA LYS B 101 16.752 105.374 20.306 1.00 24.26 C +ATOM 1633 C LYS B 101 15.649 104.412 20.797 1.00 29.06 C +ATOM 1634 O LYS B 101 15.132 104.607 21.881 1.00 31.17 O +ATOM 1635 CB LYS B 101 16.119 106.423 19.437 1.00 25.73 C +ATOM 1636 CG LYS B 101 17.052 107.588 19.174 1.00 29.24 C +ATOM 1637 CD LYS B 101 16.601 108.838 18.447 1.00 37.23 C +ATOM 1638 CE LYS B 101 15.450 108.530 17.498 1.00 41.44 C +ATOM 1639 NZ LYS B 101 14.869 109.688 16.721 1.00 31.82 N1+ +ATOM 1640 H LYS B 101 17.973 104.845 18.646 1.00 0.00 H +ATOM 1641 HA LYS B 101 17.191 105.866 21.174 1.00 0.00 H +ATOM 1642 HB3 LYS B 101 15.209 106.788 19.914 1.00 0.00 H +ATOM 1643 HB2 LYS B 101 15.821 105.976 18.489 1.00 0.00 H +ATOM 1644 HG3 LYS B 101 17.955 107.211 18.694 1.00 0.00 H +ATOM 1645 HG2 LYS B 101 17.520 107.880 20.114 1.00 0.00 H +ATOM 1646 HD3 LYS B 101 17.437 109.251 17.882 1.00 0.00 H +ATOM 1647 HD2 LYS B 101 16.282 109.585 19.174 1.00 0.00 H +ATOM 1648 HE3 LYS B 101 14.653 108.034 18.051 1.00 0.00 H +ATOM 1649 HE2 LYS B 101 15.759 107.750 16.802 1.00 0.00 H +ATOM 1650 HZ1 LYS B 101 14.119 109.356 16.132 1.00 0.00 H +ATOM 1651 HZ2 LYS B 101 14.511 110.380 17.364 1.00 0.00 H +ATOM 1652 HZ3 LYS B 101 15.588 110.103 16.147 1.00 0.00 H +ATOM 1653 N ARG B 102 15.311 103.409 20.006 1.00 28.15 N +ATOM 1654 CA ARG B 102 14.240 102.454 20.361 1.00 32.31 C +ATOM 1655 C ARG B 102 14.663 101.642 21.588 1.00 38.64 C +ATOM 1656 O ARG B 102 13.913 101.543 22.557 1.00 33.61 O +ATOM 1657 CB ARG B 102 13.961 101.524 19.196 1.00 38.52 C +ATOM 1658 CG ARG B 102 13.095 100.294 19.326 1.00 43.57 C +ATOM 1659 CD ARG B 102 13.140 99.493 17.969 1.00 43.94 C +ATOM 1660 NE ARG B 102 12.656 100.431 16.971 1.00 48.15 N +ATOM 1661 CZ ARG B 102 13.230 100.768 15.806 1.00 37.78 C +ATOM 1662 NH1 ARG B 102 14.266 100.156 15.297 1.00 37.35 N +ATOM 1663 NH2 ARG B 102 12.700 101.703 15.059 1.00 38.74 N1+ +ATOM 1664 H ARG B 102 15.790 103.276 19.127 1.00 0.00 H +ATOM 1665 HA ARG B 102 13.333 103.009 20.598 1.00 0.00 H +ATOM 1666 HB3 ARG B 102 14.910 101.236 18.744 1.00 0.00 H +ATOM 1667 HB2 ARG B 102 13.601 102.117 18.355 1.00 0.00 H +ATOM 1668 HG3 ARG B 102 12.068 100.593 19.537 1.00 0.00 H +ATOM 1669 HG2 ARG B 102 13.475 99.666 20.131 1.00 0.00 H +ATOM 1670 HD3 ARG B 102 12.458 98.644 18.028 1.00 0.00 H +ATOM 1671 HD2 ARG B 102 14.172 99.225 17.742 1.00 0.00 H +ATOM 1672 HE ARG B 102 11.777 100.849 17.241 1.00 0.00 H +ATOM 1673 HH12 ARG B 102 14.649 100.461 14.414 1.00 0.00 H +ATOM 1674 HH11 ARG B 102 14.683 99.377 15.787 1.00 0.00 H +ATOM 1675 HH22 ARG B 102 13.134 101.955 14.182 1.00 0.00 H +ATOM 1676 HH21 ARG B 102 11.857 102.172 15.359 1.00 0.00 H +ATOM 1677 N VAL B 103 15.873 101.096 21.559 1.00 31.72 N +ATOM 1678 CA VAL B 103 16.342 100.253 22.652 1.00 43.19 C +ATOM 1679 C VAL B 103 16.544 101.034 23.949 1.00 46.41 C +ATOM 1680 O VAL B 103 16.238 100.535 25.046 1.00 49.96 O +ATOM 1681 CB VAL B 103 17.636 99.523 22.281 1.00 42.75 C +ATOM 1682 CG1 VAL B 103 18.273 98.874 23.555 1.00 53.95 C +ATOM 1683 CG2 VAL B 103 17.346 98.478 21.172 1.00 49.39 C +ATOM 1684 H VAL B 103 16.483 101.262 20.772 1.00 0.00 H +ATOM 1685 HA VAL B 103 15.578 99.498 22.837 1.00 0.00 H +ATOM 1686 HB VAL B 103 18.339 100.255 21.884 1.00 0.00 H +ATOM 1687 HG11 VAL B 103 19.192 98.358 23.279 1.00 0.00 H +ATOM 1688 HG12 VAL B 103 18.498 99.651 24.285 1.00 0.00 H +ATOM 1689 HG13 VAL B 103 17.572 98.161 23.989 1.00 0.00 H +ATOM 1690 HG21 VAL B 103 18.269 97.960 20.910 1.00 0.00 H +ATOM 1691 HG22 VAL B 103 16.615 97.756 21.535 1.00 0.00 H +ATOM 1692 HG23 VAL B 103 16.951 98.983 20.291 1.00 0.00 H +ATOM 1693 N LYS B 104 17.050 102.245 23.853 1.00 37.70 N +ATOM 1694 CA LYS B 104 17.346 103.053 25.018 1.00 42.52 C +ATOM 1695 C LYS B 104 16.139 103.827 25.457 1.00 44.14 C +ATOM 1696 O LYS B 104 16.185 104.485 26.464 1.00 43.52 O +ATOM 1697 CB LYS B 104 18.510 104.017 24.742 1.00 39.04 C +ATOM 1698 CG LYS B 104 19.769 103.214 24.469 1.00 40.63 C +ATOM 1699 CD LYS B 104 21.068 104.036 24.558 1.00 33.22 C +ATOM 1700 CE LYS B 104 21.514 104.339 25.972 1.00 29.28 C +ATOM 1701 NZ LYS B 104 21.942 103.195 26.742 1.00 27.65 N1+ +ATOM 1702 H LYS B 104 17.245 102.640 22.944 1.00 0.00 H +ATOM 1703 HA LYS B 104 17.639 102.387 25.830 1.00 0.00 H +ATOM 1704 HB3 LYS B 104 18.668 104.655 25.612 1.00 0.00 H +ATOM 1705 HB2 LYS B 104 18.275 104.630 23.872 1.00 0.00 H +ATOM 1706 HG3 LYS B 104 19.698 102.755 23.483 1.00 0.00 H +ATOM 1707 HG2 LYS B 104 19.822 102.377 25.166 1.00 0.00 H +ATOM 1708 HD3 LYS B 104 20.943 104.970 24.011 1.00 0.00 H +ATOM 1709 HD2 LYS B 104 21.865 103.510 24.033 1.00 0.00 H +ATOM 1710 HE3 LYS B 104 20.710 104.850 26.502 1.00 0.00 H +ATOM 1711 HE2 LYS B 104 22.316 105.077 25.947 1.00 0.00 H +ATOM 1712 HZ1 LYS B 104 22.219 103.495 27.666 1.00 0.00 H +ATOM 1713 HZ2 LYS B 104 21.181 102.535 26.817 1.00 0.00 H +ATOM 1714 HZ3 LYS B 104 22.726 102.754 26.283 1.00 0.00 H +ATOM 1715 N ASP B 105 15.061 103.776 24.660 1.00 46.28 N +ATOM 1716 CA ASP B 105 13.847 104.496 24.920 1.00 46.86 C +ATOM 1717 C ASP B 105 14.103 105.947 25.239 1.00 47.87 C +ATOM 1718 O ASP B 105 13.588 106.489 26.208 1.00 46.57 O +ATOM 1719 CB ASP B 105 13.052 103.751 26.001 1.00 61.00 C +ATOM 1720 CG ASP B 105 11.541 104.062 25.934 1.00 75.81 C +ATOM 1721 OD1 ASP B 105 11.013 104.714 24.969 1.00 71.49 O +ATOM 1722 OD2 ASP B 105 10.855 103.485 26.801 1.00 95.68 O1- +ATOM 1723 H ASP B 105 15.077 103.208 23.825 1.00 0.00 H +ATOM 1724 HA ASP B 105 13.253 104.467 24.006 1.00 0.00 H +ATOM 1725 HB3 ASP B 105 13.435 104.023 26.985 1.00 0.00 H +ATOM 1726 HB2 ASP B 105 13.206 102.678 25.890 1.00 0.00 H +ATOM 1727 N SER B 106 14.918 106.601 24.385 1.00 40.70 N +ATOM 1728 CA SER B 106 15.254 107.992 24.559 1.00 38.80 C +ATOM 1729 C SER B 106 15.485 108.660 23.240 1.00 42.32 C +ATOM 1730 O SER B 106 15.965 108.006 22.305 1.00 42.71 O +ATOM 1731 CB SER B 106 16.544 108.091 25.394 1.00 45.70 C +ATOM 1732 OG SER B 106 17.025 109.468 25.424 1.00 53.89 O +ATOM 1733 H SER B 106 15.314 106.115 23.593 1.00 0.00 H +ATOM 1734 HA SER B 106 14.443 108.497 25.084 1.00 0.00 H +ATOM 1735 HB3 SER B 106 17.309 107.449 24.958 1.00 0.00 H +ATOM 1736 HB2 SER B 106 16.345 107.754 26.411 1.00 0.00 H +ATOM 1737 HG SER B 106 17.829 109.515 25.947 1.00 0.00 H +ATOM 1738 N GLU B 107 15.203 109.936 23.139 1.00 36.96 N +ATOM 1739 CA GLU B 107 15.414 110.726 21.949 1.00 46.10 C +ATOM 1740 C GLU B 107 16.785 111.433 21.965 1.00 49.32 C +ATOM 1741 O GLU B 107 17.184 111.982 20.927 1.00 52.36 O +ATOM 1742 CB GLU B 107 14.338 111.848 21.880 1.00 59.17 C +ATOM 1743 CG GLU B 107 12.888 111.368 21.768 1.00 74.40 C +ATOM 1744 CD GLU B 107 12.615 110.784 20.396 1.00 85.25 C +ATOM 1745 OE1 GLU B 107 12.687 111.531 19.392 1.00 93.42 O +ATOM 1746 OE2 GLU B 107 12.345 109.566 20.311 1.00 97.44 O1- +ATOM 1747 H GLU B 107 14.811 110.430 23.927 1.00 0.00 H +ATOM 1748 HA GLU B 107 15.339 110.090 21.067 1.00 0.00 H +ATOM 1749 HB3 GLU B 107 14.563 112.512 21.045 1.00 0.00 H +ATOM 1750 HB2 GLU B 107 14.437 112.495 22.751 1.00 0.00 H +ATOM 1751 HG3 GLU B 107 12.214 112.206 21.947 1.00 0.00 H +ATOM 1752 HG2 GLU B 107 12.696 110.612 22.529 1.00 0.00 H +ATOM 1753 N ASP B 108 17.478 111.439 23.123 1.00 43.97 N +ATOM 1754 CA ASP B 108 18.652 112.279 23.318 1.00 49.96 C +ATOM 1755 C ASP B 108 19.830 111.383 23.763 1.00 37.63 C +ATOM 1756 O ASP B 108 20.166 111.319 24.935 1.00 51.98 O +ATOM 1757 CB ASP B 108 18.356 113.340 24.367 1.00 52.95 C +ATOM 1758 CG ASP B 108 19.441 114.427 24.448 1.00 73.12 C +ATOM 1759 OD1 ASP B 108 20.069 114.758 23.404 1.00 75.16 O +ATOM 1760 OD2 ASP B 108 19.646 114.968 25.568 1.00 78.89 O1- +ATOM 1761 H ASP B 108 17.187 110.848 23.889 1.00 0.00 H +ATOM 1762 HA ASP B 108 18.906 112.766 22.376 1.00 0.00 H +ATOM 1763 HB3 ASP B 108 18.246 112.865 25.342 1.00 0.00 H +ATOM 1764 HB2 ASP B 108 17.394 113.804 24.151 1.00 0.00 H +ATOM 1765 N VAL B 109 20.351 110.616 22.832 1.00 29.81 N +ATOM 1766 CA VAL B 109 21.429 109.667 23.168 1.00 25.88 C +ATOM 1767 C VAL B 109 22.701 110.278 22.579 1.00 25.77 C +ATOM 1768 O VAL B 109 22.716 110.701 21.410 1.00 23.29 O +ATOM 1769 CB VAL B 109 21.192 108.308 22.514 1.00 25.15 C +ATOM 1770 CG1 VAL B 109 22.310 107.369 22.838 1.00 24.82 C +ATOM 1771 CG2 VAL B 109 19.865 107.666 23.008 1.00 26.50 C +ATOM 1772 H VAL B 109 20.013 110.675 21.882 1.00 0.00 H +ATOM 1773 HA VAL B 109 21.521 109.560 24.249 1.00 0.00 H +ATOM 1774 HB VAL B 109 21.141 108.439 21.433 1.00 0.00 H +ATOM 1775 HG11 VAL B 109 22.125 106.405 22.364 1.00 0.00 H +ATOM 1776 HG12 VAL B 109 23.249 107.780 22.469 1.00 0.00 H +ATOM 1777 HG13 VAL B 109 22.372 107.236 23.918 1.00 0.00 H +ATOM 1778 HG21 VAL B 109 19.726 106.700 22.523 1.00 0.00 H +ATOM 1779 HG22 VAL B 109 19.908 107.527 24.088 1.00 0.00 H +ATOM 1780 HG23 VAL B 109 19.030 108.320 22.759 1.00 0.00 H +ATOM 1781 N PRO B 110 23.789 110.340 23.367 1.00 21.90 N +ATOM 1782 CA PRO B 110 25.056 110.915 22.784 1.00 20.54 C +ATOM 1783 C PRO B 110 25.540 110.053 21.588 1.00 19.45 C +ATOM 1784 O PRO B 110 25.624 108.842 21.690 1.00 19.57 O +ATOM 1785 CB PRO B 110 26.054 110.768 23.926 1.00 21.32 C +ATOM 1786 CG PRO B 110 25.165 110.890 25.162 1.00 24.72 C +ATOM 1787 CD PRO B 110 23.926 110.054 24.792 1.00 24.23 C +ATOM 1788 HA PRO B 110 24.927 111.959 22.498 1.00 0.00 H +ATOM 1789 HB3 PRO B 110 26.753 111.604 23.902 1.00 0.00 H +ATOM 1790 HB2 PRO B 110 26.491 109.770 23.895 1.00 0.00 H +ATOM 1791 HG3 PRO B 110 24.871 111.931 25.292 1.00 0.00 H +ATOM 1792 HG2 PRO B 110 25.668 110.431 26.014 1.00 0.00 H +ATOM 1793 HD2 PRO B 110 24.155 108.997 24.925 1.00 0.00 H +ATOM 1794 HD3 PRO B 110 23.058 110.447 25.321 1.00 0.00 H +ATOM 1795 N MET B 111 25.785 110.727 20.501 1.00 21.19 N +ATOM 1796 CA MET B 111 26.195 110.120 19.260 1.00 19.92 C +ATOM 1797 C MET B 111 27.014 111.095 18.452 1.00 19.57 C +ATOM 1798 O MET B 111 26.863 112.283 18.567 1.00 19.87 O +ATOM 1799 CB MET B 111 24.953 109.799 18.331 1.00 22.70 C +ATOM 1800 CG MET B 111 24.054 108.765 18.827 1.00 33.71 C +ATOM 1801 SD MET B 111 22.895 108.466 17.441 1.00 31.18 S +ATOM 1802 CE MET B 111 21.871 107.540 18.587 1.00 37.84 C +ATOM 1803 H MET B 111 25.691 111.733 20.498 1.00 0.00 H +ATOM 1804 HA MET B 111 26.768 109.213 19.453 1.00 0.00 H +ATOM 1805 HB3 MET B 111 25.308 109.522 17.338 1.00 0.00 H +ATOM 1806 HB2 MET B 111 24.388 110.714 18.156 1.00 0.00 H +ATOM 1807 HG3 MET B 111 23.500 109.149 19.684 1.00 0.00 H +ATOM 1808 HG2 MET B 111 24.623 107.856 19.024 1.00 0.00 H +ATOM 1809 HE1 MET B 111 20.990 107.164 18.066 1.00 0.00 H +ATOM 1810 HE2 MET B 111 22.441 106.702 18.988 1.00 0.00 H +ATOM 1811 HE3 MET B 111 21.559 108.191 19.404 1.00 0.00 H +ATOM 1812 N VAL B 112 27.876 110.540 17.604 1.00 18.21 N +ATOM 1813 CA VAL B 112 28.647 111.264 16.638 1.00 16.84 C +ATOM 1814 C VAL B 112 28.527 110.525 15.304 1.00 17.74 C +ATOM 1815 O VAL B 112 28.609 109.295 15.255 1.00 17.95 O +ATOM 1816 CB VAL B 112 30.137 111.340 17.084 1.00 18.07 C +ATOM 1817 CG1 VAL B 112 31.000 111.927 15.987 1.00 19.36 C +ATOM 1818 CG2 VAL B 112 30.241 112.189 18.337 1.00 18.89 C +ATOM 1819 H VAL B 112 28.022 109.541 17.614 1.00 0.00 H +ATOM 1820 HA VAL B 112 28.246 112.272 16.533 1.00 0.00 H +ATOM 1821 HB VAL B 112 30.489 110.334 17.310 1.00 0.00 H +ATOM 1822 HG11 VAL B 112 32.036 111.970 16.323 1.00 0.00 H +ATOM 1823 HG12 VAL B 112 30.932 111.301 15.097 1.00 0.00 H +ATOM 1824 HG13 VAL B 112 30.654 112.933 15.751 1.00 0.00 H +ATOM 1825 HG21 VAL B 112 31.283 112.245 18.653 1.00 0.00 H +ATOM 1826 HG22 VAL B 112 29.871 113.193 18.128 1.00 0.00 H +ATOM 1827 HG23 VAL B 112 29.645 111.740 19.131 1.00 0.00 H +ATOM 1828 N LEU B 113 28.342 111.305 14.232 1.00 16.09 N +ATOM 1829 CA LEU B 113 28.312 110.761 12.914 1.00 16.65 C +ATOM 1830 C LEU B 113 29.744 110.776 12.359 1.00 16.71 C +ATOM 1831 O LEU B 113 30.377 111.835 12.351 1.00 18.56 O +ATOM 1832 CB LEU B 113 27.426 111.595 11.995 1.00 18.65 C +ATOM 1833 CG LEU B 113 27.256 111.076 10.579 1.00 17.77 C +ATOM 1834 CD1 LEU B 113 26.629 109.708 10.536 1.00 18.83 C +ATOM 1835 CD2 LEU B 113 26.479 112.125 9.771 1.00 21.12 C +ATOM 1836 H LEU B 113 28.220 112.301 14.347 1.00 0.00 H +ATOM 1837 HA LEU B 113 27.943 109.736 12.949 1.00 0.00 H +ATOM 1838 HB3 LEU B 113 27.805 112.616 11.960 1.00 0.00 H +ATOM 1839 HB2 LEU B 113 26.445 111.715 12.454 1.00 0.00 H +ATOM 1840 HG LEU B 113 28.250 110.994 10.139 1.00 0.00 H +ATOM 1841 HD11 LEU B 113 26.531 109.385 9.500 1.00 0.00 H +ATOM 1842 HD12 LEU B 113 27.258 109.002 11.078 1.00 0.00 H +ATOM 1843 HD13 LEU B 113 25.643 109.745 10.999 1.00 0.00 H +ATOM 1844 HD21 LEU B 113 26.346 111.771 8.749 1.00 0.00 H +ATOM 1845 HD22 LEU B 113 25.503 112.287 10.229 1.00 0.00 H +ATOM 1846 HD23 LEU B 113 27.036 113.062 9.761 1.00 0.00 H +ATOM 1847 N VAL B 114 30.207 109.610 11.908 1.00 15.70 N +ATOM 1848 CA VAL B 114 31.560 109.445 11.393 1.00 14.75 C +ATOM 1849 C VAL B 114 31.569 109.003 9.941 1.00 19.10 C +ATOM 1850 O VAL B 114 30.998 107.958 9.608 1.00 18.22 O +ATOM 1851 CB VAL B 114 32.325 108.417 12.239 1.00 16.32 C +ATOM 1852 CG1 VAL B 114 33.717 108.163 11.697 1.00 17.94 C +ATOM 1853 CG2 VAL B 114 32.359 108.810 13.711 1.00 19.24 C +ATOM 1854 H VAL B 114 29.612 108.794 11.914 1.00 0.00 H +ATOM 1855 HA VAL B 114 32.075 110.403 11.465 1.00 0.00 H +ATOM 1856 HB VAL B 114 31.778 107.476 12.171 1.00 0.00 H +ATOM 1857 HG11 VAL B 114 34.224 107.430 12.325 1.00 0.00 H +ATOM 1858 HG12 VAL B 114 33.647 107.782 10.678 1.00 0.00 H +ATOM 1859 HG13 VAL B 114 34.283 109.094 11.698 1.00 0.00 H +ATOM 1860 HG21 VAL B 114 32.909 108.057 14.276 1.00 0.00 H +ATOM 1861 HG22 VAL B 114 32.852 109.776 13.818 1.00 0.00 H +ATOM 1862 HG23 VAL B 114 31.340 108.878 14.093 1.00 0.00 H +ATOM 1863 N GLY B 115 32.135 109.820 9.066 1.00 16.51 N +ATOM 1864 CA GLY B 115 32.320 109.482 7.673 1.00 15.73 C +ATOM 1865 C GLY B 115 33.728 108.987 7.422 1.00 17.34 C +ATOM 1866 O GLY B 115 34.652 109.824 7.344 1.00 17.95 O +ATOM 1867 H GLY B 115 32.462 110.729 9.362 1.00 0.00 H +ATOM 1868 HA3 GLY B 115 32.129 110.361 7.058 1.00 0.00 H +ATOM 1869 HA2 GLY B 115 31.607 108.708 7.390 1.00 0.00 H +ATOM 1870 N ASN B 116 33.908 107.676 7.346 1.00 16.47 N +ATOM 1871 CA ASN B 116 35.232 107.046 7.293 1.00 16.24 C +ATOM 1872 C ASN B 116 35.661 106.781 5.855 1.00 15.55 C +ATOM 1873 O ASN B 116 34.889 106.960 4.889 1.00 17.61 O +ATOM 1874 CB ASN B 116 35.206 105.767 8.123 1.00 15.29 C +ATOM 1875 CG ASN B 116 36.595 105.159 8.328 1.00 18.25 C +ATOM 1876 OD1 ASN B 116 37.520 105.918 8.674 1.00 16.90 O +ATOM 1877 ND2 ASN B 116 36.715 103.855 8.130 1.00 15.60 N +ATOM 1878 H ASN B 116 33.110 107.057 7.322 1.00 0.00 H +ATOM 1879 HA ASN B 116 35.952 107.729 7.743 1.00 0.00 H +ATOM 1880 HB3 ASN B 116 34.558 105.035 7.640 1.00 0.00 H +ATOM 1881 HB2 ASN B 116 34.755 105.974 9.093 1.00 0.00 H +ATOM 1882 HD22 ASN B 116 37.611 103.406 8.253 1.00 0.00 H +ATOM 1883 HD21 ASN B 116 35.910 103.310 7.856 1.00 0.00 H +ATOM 1884 N LYS B 117 36.941 106.477 5.709 1.00 16.34 N +ATOM 1885 CA LYS B 117 37.612 106.193 4.444 1.00 16.62 C +ATOM 1886 C LYS B 117 37.820 107.473 3.641 1.00 16.75 C +ATOM 1887 O LYS B 117 37.834 107.432 2.411 1.00 20.22 O +ATOM 1888 CB LYS B 117 36.960 105.079 3.659 1.00 16.34 C +ATOM 1889 CG LYS B 117 36.625 103.838 4.400 1.00 17.38 C +ATOM 1890 CD LYS B 117 36.408 102.645 3.495 1.00 15.92 C +ATOM 1891 CE LYS B 117 35.911 101.448 4.248 1.00 16.81 C +ATOM 1892 NZ LYS B 117 35.747 100.218 3.410 1.00 19.57 N1+ +ATOM 1893 H LYS B 117 37.543 106.426 6.518 1.00 0.00 H +ATOM 1894 HA LYS B 117 38.608 105.835 4.705 1.00 0.00 H +ATOM 1895 HB3 LYS B 117 37.588 104.828 2.804 1.00 0.00 H +ATOM 1896 HB2 LYS B 117 36.061 105.461 3.174 1.00 0.00 H +ATOM 1897 HG3 LYS B 117 35.730 104.005 5.000 1.00 0.00 H +ATOM 1898 HG2 LYS B 117 37.421 103.614 5.110 1.00 0.00 H +ATOM 1899 HD3 LYS B 117 37.343 102.395 2.994 1.00 0.00 H +ATOM 1900 HD2 LYS B 117 35.692 102.906 2.716 1.00 0.00 H +ATOM 1901 HE3 LYS B 117 34.961 101.690 4.724 1.00 0.00 H +ATOM 1902 HE2 LYS B 117 36.589 101.234 5.074 1.00 0.00 H +ATOM 1903 HZ1 LYS B 117 35.411 99.460 3.986 1.00 0.00 H +ATOM 1904 HZ2 LYS B 117 35.082 100.399 2.672 1.00 0.00 H +ATOM 1905 HZ3 LYS B 117 36.637 99.964 3.006 1.00 0.00 H +ATOM 1906 N CYS B 118 38.012 108.608 4.323 1.00 18.49 N +ATOM 1907 CA CYS B 118 38.158 109.882 3.628 1.00 19.61 C +ATOM 1908 C CYS B 118 39.444 110.002 2.832 1.00 23.42 C +ATOM 1909 O CYS B 118 39.603 110.942 2.051 1.00 24.41 O +ATOM 1910 CB CYS B 118 37.956 111.083 4.568 1.00 23.40 C +ATOM 1911 SG CYS B 118 39.345 111.305 5.711 1.00 26.92 S +ATOM 1912 H CYS B 118 38.057 108.589 5.332 1.00 0.00 H +ATOM 1913 HA CYS B 118 37.347 109.926 2.902 1.00 0.00 H +ATOM 1914 HB3 CYS B 118 37.036 110.947 5.137 1.00 0.00 H +ATOM 1915 HB2 CYS B 118 37.826 111.989 3.976 1.00 0.00 H +ATOM 1916 HG CYS B 118 39.111 112.359 6.498 1.00 0.00 H +ATOM 1917 N ASP B 119 40.340 109.035 2.955 1.00 19.21 N +ATOM 1918 CA ASP B 119 41.555 108.961 2.122 1.00 24.99 C +ATOM 1919 C ASP B 119 41.292 108.425 0.722 1.00 25.59 C +ATOM 1920 O ASP B 119 42.173 108.539 -0.160 1.00 28.50 O +ATOM 1921 CB ASP B 119 42.600 108.109 2.818 1.00 22.99 C +ATOM 1922 CG ASP B 119 42.143 106.652 3.025 1.00 23.47 C +ATOM 1923 OD1 ASP B 119 41.255 106.472 3.929 1.00 22.33 O +ATOM 1924 OD2 ASP B 119 42.596 105.746 2.295 1.00 22.89 O1- +ATOM 1925 H ASP B 119 40.206 108.307 3.642 1.00 0.00 H +ATOM 1926 HA ASP B 119 41.956 109.970 2.024 1.00 0.00 H +ATOM 1927 HB3 ASP B 119 42.845 108.552 3.783 1.00 0.00 H +ATOM 1928 HB2 ASP B 119 43.522 108.120 2.237 1.00 0.00 H +ATOM 1929 N LEU B 120 40.151 107.803 0.470 1.00 21.92 N +ATOM 1930 CA LEU B 120 39.939 107.085 -0.780 1.00 22.71 C +ATOM 1931 C LEU B 120 39.385 108.052 -1.815 1.00 26.43 C +ATOM 1932 O LEU B 120 38.645 108.953 -1.477 1.00 26.09 O +ATOM 1933 CB LEU B 120 38.963 105.918 -0.630 1.00 28.11 C +ATOM 1934 CG LEU B 120 39.570 104.754 0.154 1.00 26.65 C +ATOM 1935 CD1 LEU B 120 38.500 103.695 0.247 1.00 32.42 C +ATOM 1936 CD2 LEU B 120 40.833 104.181 -0.502 1.00 28.69 C +ATOM 1937 H LEU B 120 39.405 107.820 1.151 1.00 0.00 H +ATOM 1938 HA LEU B 120 40.896 106.701 -1.133 1.00 0.00 H +ATOM 1939 HB3 LEU B 120 38.659 105.571 -1.617 1.00 0.00 H +ATOM 1940 HB2 LEU B 120 38.060 106.263 -0.126 1.00 0.00 H +ATOM 1941 HG LEU B 120 39.818 105.096 1.159 1.00 0.00 H +ATOM 1942 HD11 LEU B 120 38.884 102.838 0.800 1.00 0.00 H +ATOM 1943 HD12 LEU B 120 37.630 104.101 0.764 1.00 0.00 H +ATOM 1944 HD13 LEU B 120 38.212 103.380 -0.756 1.00 0.00 H +ATOM 1945 HD21 LEU B 120 41.216 103.358 0.102 1.00 0.00 H +ATOM 1946 HD22 LEU B 120 40.591 103.816 -1.500 1.00 0.00 H +ATOM 1947 HD23 LEU B 120 41.591 104.961 -0.575 1.00 0.00 H +ATOM 1948 N PRO B 121 39.712 107.808 -3.085 1.00 26.58 N +ATOM 1949 CA PRO B 121 39.282 108.748 -4.130 1.00 29.88 C +ATOM 1950 C PRO B 121 37.860 108.674 -4.612 1.00 31.02 C +ATOM 1951 O PRO B 121 37.420 109.662 -5.258 1.00 52.07 O +ATOM 1952 CB PRO B 121 40.274 108.416 -5.276 1.00 30.89 C +ATOM 1953 CG PRO B 121 40.434 106.908 -5.147 1.00 33.37 C +ATOM 1954 CD PRO B 121 40.569 106.736 -3.624 1.00 30.63 C +ATOM 1955 HA PRO B 121 39.478 109.763 -3.785 1.00 0.00 H +ATOM 1956 HB3 PRO B 121 41.231 108.897 -5.073 1.00 0.00 H +ATOM 1957 HB2 PRO B 121 39.807 108.647 -6.233 1.00 0.00 H +ATOM 1958 HG3 PRO B 121 41.365 106.604 -5.626 1.00 0.00 H +ATOM 1959 HG2 PRO B 121 39.519 106.421 -5.483 1.00 0.00 H +ATOM 1960 HD2 PRO B 121 40.160 105.768 -3.334 1.00 0.00 H +ATOM 1961 HD3 PRO B 121 41.603 106.920 -3.331 1.00 0.00 H +ATOM 1962 N SER B 122 37.150 107.625 -4.329 1.00 30.20 N +ATOM 1963 CA SER B 122 35.841 107.472 -5.164 1.00 36.90 C +ATOM 1964 C SER B 122 34.624 107.883 -4.308 1.00 32.12 C +ATOM 1965 O SER B 122 33.656 107.139 -4.178 1.00 32.32 O +ATOM 1966 CB SER B 122 35.636 106.095 -5.812 1.00 41.23 C +ATOM 1967 OG SER B 122 36.287 106.080 -7.121 1.00 44.65 O +ATOM 1968 H SER B 122 37.461 106.983 -3.614 1.00 0.00 H +ATOM 1969 HA SER B 122 35.906 108.193 -5.979 1.00 0.00 H +ATOM 1970 HB3 SER B 122 34.569 105.907 -5.935 1.00 0.00 H +ATOM 1971 HB2 SER B 122 36.078 105.326 -5.178 1.00 0.00 H +ATOM 1972 HG SER B 122 36.162 105.221 -7.531 1.00 0.00 H +ATOM 1973 N ARG B 123 34.682 109.065 -3.776 1.00 27.28 N +ATOM 1974 CA ARG B 123 33.676 109.527 -2.827 1.00 26.98 C +ATOM 1975 C ARG B 123 32.315 109.564 -3.484 1.00 30.97 C +ATOM 1976 O ARG B 123 32.188 110.084 -4.557 1.00 28.91 O +ATOM 1977 CB ARG B 123 34.076 110.939 -2.331 1.00 31.49 C +ATOM 1978 CG ARG B 123 32.964 111.663 -1.626 1.00 31.28 C +ATOM 1979 CD ARG B 123 33.294 113.082 -1.380 1.00 35.57 C +ATOM 1980 NE ARG B 123 34.385 113.259 -0.432 1.00 39.55 N +ATOM 1981 CZ ARG B 123 34.265 113.327 0.902 1.00 35.80 C +ATOM 1982 NH1 ARG B 123 33.103 113.182 1.527 1.00 30.22 N +ATOM 1983 NH2 ARG B 123 35.329 113.569 1.635 1.00 39.06 N1+ +ATOM 1984 H ARG B 123 35.438 109.691 -4.017 1.00 0.00 H +ATOM 1985 HA ARG B 123 33.645 108.845 -1.978 1.00 0.00 H +ATOM 1986 HB3 ARG B 123 34.418 111.536 -3.176 1.00 0.00 H +ATOM 1987 HB2 ARG B 123 34.935 110.859 -1.665 1.00 0.00 H +ATOM 1988 HG3 ARG B 123 32.755 111.170 -0.677 1.00 0.00 H +ATOM 1989 HG2 ARG B 123 32.055 111.601 -2.224 1.00 0.00 H +ATOM 1990 HD3 ARG B 123 32.408 113.601 -1.014 1.00 0.00 H +ATOM 1991 HD2 ARG B 123 33.553 113.562 -2.324 1.00 0.00 H +ATOM 1992 HE ARG B 123 35.296 113.333 -0.861 1.00 0.00 H +ATOM 1993 HH12 ARG B 123 33.061 113.241 2.534 1.00 0.00 H +ATOM 1994 HH11 ARG B 123 32.261 113.013 0.995 1.00 0.00 H +ATOM 1995 HH22 ARG B 123 35.248 113.622 2.640 1.00 0.00 H +ATOM 1996 HH21 ARG B 123 36.227 113.702 1.193 1.00 0.00 H +ATOM 1997 N THR B 124 31.313 109.021 -2.807 1.00 23.98 N +ATOM 1998 CA THR B 124 29.873 109.073 -3.270 1.00 25.60 C +ATOM 1999 C THR B 124 28.989 109.822 -2.323 1.00 26.47 C +ATOM 2000 O THR B 124 27.861 110.186 -2.694 1.00 28.66 O +ATOM 2001 CB THR B 124 29.339 107.692 -3.497 1.00 29.63 C +ATOM 2002 OG1 THR B 124 29.363 106.945 -2.264 1.00 30.51 O +ATOM 2003 CG2 THR B 124 30.119 106.965 -4.654 1.00 33.14 C +ATOM 2004 H THR B 124 31.493 108.543 -1.936 1.00 0.00 H +ATOM 2005 HA THR B 124 29.852 109.597 -4.226 1.00 0.00 H +ATOM 2006 HB THR B 124 28.298 107.786 -3.807 1.00 0.00 H +ATOM 2007 HG1 THR B 124 29.020 106.062 -2.418 1.00 0.00 H +ATOM 2008 HG21 THR B 124 29.710 105.965 -4.796 1.00 0.00 H +ATOM 2009 HG22 THR B 124 30.014 107.535 -5.577 1.00 0.00 H +ATOM 2010 HG23 THR B 124 31.174 106.891 -4.391 1.00 0.00 H +ATOM 2011 N VAL B 125 29.437 110.081 -1.095 1.00 24.22 N +ATOM 2012 CA VAL B 125 28.679 110.874 -0.139 1.00 25.40 C +ATOM 2013 C VAL B 125 29.400 112.161 0.090 1.00 27.15 C +ATOM 2014 O VAL B 125 30.561 112.185 0.641 1.00 28.55 O +ATOM 2015 CB VAL B 125 28.528 110.145 1.221 1.00 27.14 C +ATOM 2016 CG1 VAL B 125 27.689 110.974 2.128 1.00 26.40 C +ATOM 2017 CG2 VAL B 125 28.012 108.749 1.016 1.00 28.30 C +ATOM 2018 H VAL B 125 30.333 109.722 -0.798 1.00 0.00 H +ATOM 2019 HA VAL B 125 27.690 111.083 -0.548 1.00 0.00 H +ATOM 2020 HB VAL B 125 29.520 110.068 1.667 1.00 0.00 H +ATOM 2021 HG11 VAL B 125 27.579 110.467 3.087 1.00 0.00 H +ATOM 2022 HG12 VAL B 125 28.167 111.942 2.282 1.00 0.00 H +ATOM 2023 HG13 VAL B 125 26.706 111.122 1.681 1.00 0.00 H +ATOM 2024 HG21 VAL B 125 27.912 108.253 1.981 1.00 0.00 H +ATOM 2025 HG22 VAL B 125 27.039 108.789 0.526 1.00 0.00 H +ATOM 2026 HG23 VAL B 125 28.710 108.191 0.391 1.00 0.00 H +ATOM 2027 N ASP B 126 28.747 113.266 -0.235 1.00 31.29 N +ATOM 2028 CA ASP B 126 29.425 114.524 -0.127 1.00 34.42 C +ATOM 2029 C ASP B 126 29.343 115.033 1.310 1.00 32.27 C +ATOM 2030 O ASP B 126 28.399 114.711 2.099 1.00 30.29 O +ATOM 2031 CB ASP B 126 29.115 115.532 -1.286 1.00 50.11 C +ATOM 2032 CG ASP B 126 27.710 115.853 -1.432 1.00 62.81 C +ATOM 2033 OD1 ASP B 126 27.091 116.126 -0.393 1.00 70.54 O +ATOM 2034 OD2 ASP B 126 27.245 115.957 -2.626 1.00 73.87 O1- +ATOM 2035 H ASP B 126 27.790 113.212 -0.552 1.00 0.00 H +ATOM 2036 HA ASP B 126 30.477 114.274 -0.263 1.00 0.00 H +ATOM 2037 HB3 ASP B 126 29.493 115.129 -2.226 1.00 0.00 H +ATOM 2038 HB2 ASP B 126 29.681 116.450 -1.127 1.00 0.00 H +ATOM 2039 N THR B 127 30.377 115.778 1.696 1.00 28.74 N +ATOM 2040 CA THR B 127 30.490 116.307 3.011 1.00 31.33 C +ATOM 2041 C THR B 127 29.249 117.084 3.421 1.00 33.51 C +ATOM 2042 O THR B 127 28.751 116.950 4.548 1.00 27.49 O +ATOM 2043 CB THR B 127 31.740 117.214 3.130 1.00 35.40 C +ATOM 2044 OG1 THR B 127 32.904 116.443 2.900 1.00 41.11 O +ATOM 2045 CG2 THR B 127 31.867 117.803 4.540 1.00 37.28 C +ATOM 2046 H THR B 127 31.120 115.987 1.045 1.00 0.00 H +ATOM 2047 HA THR B 127 30.610 115.473 3.702 1.00 0.00 H +ATOM 2048 HB THR B 127 31.681 118.020 2.398 1.00 0.00 H +ATOM 2049 HG1 THR B 127 33.680 117.004 2.973 1.00 0.00 H +ATOM 2050 HG21 THR B 127 32.754 118.435 4.592 1.00 0.00 H +ATOM 2051 HG22 THR B 127 30.983 118.399 4.766 1.00 0.00 H +ATOM 2052 HG23 THR B 127 31.955 116.994 5.266 1.00 0.00 H +ATOM 2053 N LYS B 128 28.743 117.908 2.508 1.00 29.78 N +ATOM 2054 CA LYS B 128 27.551 118.693 2.825 1.00 33.19 C +ATOM 2055 C LYS B 128 26.341 117.862 3.187 1.00 27.93 C +ATOM 2056 O LYS B 128 25.642 118.233 4.103 1.00 29.59 O +ATOM 2057 CB LYS B 128 27.183 119.660 1.684 1.00 39.55 C +ATOM 2058 CG LYS B 128 26.133 120.650 2.145 1.00 40.47 C +ATOM 2059 CD LYS B 128 25.903 121.837 1.273 1.00 53.57 C +ATOM 2060 CE LYS B 128 24.827 122.693 1.917 1.00 57.67 C +ATOM 2061 NZ LYS B 128 23.480 122.060 1.802 1.00 61.37 N1+ +ATOM 2062 H LYS B 128 29.182 117.989 1.602 1.00 0.00 H +ATOM 2063 HA LYS B 128 27.792 119.303 3.696 1.00 0.00 H +ATOM 2064 HB3 LYS B 128 26.799 119.092 0.836 1.00 0.00 H +ATOM 2065 HB2 LYS B 128 28.074 120.199 1.363 1.00 0.00 H +ATOM 2066 HG3 LYS B 128 26.375 120.987 3.153 1.00 0.00 H +ATOM 2067 HG2 LYS B 128 25.189 120.127 2.296 1.00 0.00 H +ATOM 2068 HD3 LYS B 128 25.564 121.506 0.291 1.00 0.00 H +ATOM 2069 HD2 LYS B 128 26.825 122.413 1.193 1.00 0.00 H +ATOM 2070 HE3 LYS B 128 24.809 123.673 1.440 1.00 0.00 H +ATOM 2071 HE2 LYS B 128 25.067 122.847 2.969 1.00 0.00 H +ATOM 2072 HZ1 LYS B 128 22.790 122.654 2.239 1.00 0.00 H +ATOM 2073 HZ2 LYS B 128 23.248 121.936 0.827 1.00 0.00 H +ATOM 2074 HZ3 LYS B 128 23.490 121.161 2.262 1.00 0.00 H +ATOM 2075 N GLN B 129 26.098 116.738 2.507 1.00 29.55 N +ATOM 2076 CA GLN B 129 24.974 115.889 2.815 1.00 30.05 C +ATOM 2077 C GLN B 129 25.115 115.282 4.234 1.00 26.21 C +ATOM 2078 O GLN B 129 24.151 115.220 4.980 1.00 27.14 O +ATOM 2079 CB GLN B 129 24.874 114.665 1.896 1.00 34.03 C +ATOM 2080 CG GLN B 129 24.606 114.754 0.458 1.00 46.40 C +ATOM 2081 CD GLN B 129 24.819 113.353 -0.165 1.00 49.96 C +ATOM 2082 OE1 GLN B 129 25.854 113.124 -0.829 1.00 49.59 O +ATOM 2083 NE2 GLN B 129 23.912 112.388 0.163 1.00 38.49 N +ATOM 2084 H GLN B 129 26.710 116.462 1.753 1.00 0.00 H +ATOM 2085 HA GLN B 129 24.052 116.467 2.755 1.00 0.00 H +ATOM 2086 HB3 GLN B 129 24.172 113.957 2.337 1.00 0.00 H +ATOM 2087 HB2 GLN B 129 25.758 114.045 2.047 1.00 0.00 H +ATOM 2088 HG3 GLN B 129 25.298 115.463 0.003 1.00 0.00 H +ATOM 2089 HG2 GLN B 129 23.574 115.069 0.300 1.00 0.00 H +ATOM 2090 HE22 GLN B 129 24.006 111.457 -0.217 1.00 0.00 H +ATOM 2091 HE21 GLN B 129 23.147 112.605 0.786 1.00 0.00 H +ATOM 2092 N ALA B 130 26.341 114.845 4.586 1.00 25.73 N +ATOM 2093 CA ALA B 130 26.564 114.320 5.928 1.00 24.07 C +ATOM 2094 C ALA B 130 26.424 115.360 7.005 1.00 22.05 C +ATOM 2095 O ALA B 130 25.852 115.121 8.054 1.00 24.15 O +ATOM 2096 CB ALA B 130 27.976 113.679 5.998 1.00 24.54 C +ATOM 2097 H ALA B 130 27.100 114.882 3.921 1.00 0.00 H +ATOM 2098 HA ALA B 130 25.827 113.538 6.113 1.00 0.00 H +ATOM 2099 HB1 ALA B 130 28.147 113.285 7.000 1.00 0.00 H +ATOM 2100 HB2 ALA B 130 28.044 112.868 5.273 1.00 0.00 H +ATOM 2101 HB3 ALA B 130 28.730 114.433 5.771 1.00 0.00 H +ATOM 2102 N GLN B 131 26.986 116.558 6.765 1.00 23.29 N +ATOM 2103 CA GLN B 131 26.834 117.637 7.711 1.00 24.74 C +ATOM 2104 C GLN B 131 25.368 118.003 7.938 1.00 25.59 C +ATOM 2105 O GLN B 131 24.965 118.251 9.072 1.00 27.73 O +ATOM 2106 CB GLN B 131 27.557 118.899 7.236 1.00 29.98 C +ATOM 2107 CG GLN B 131 29.054 118.832 7.361 1.00 33.92 C +ATOM 2108 CD GLN B 131 29.743 120.015 6.698 1.00 41.08 C +ATOM 2109 OE1 GLN B 131 29.253 120.571 5.693 1.00 42.38 O +ATOM 2110 NE2 GLN B 131 30.876 120.391 7.250 1.00 50.21 N +ATOM 2111 H GLN B 131 27.518 116.706 5.919 1.00 0.00 H +ATOM 2112 HA GLN B 131 27.266 117.327 8.663 1.00 0.00 H +ATOM 2113 HB3 GLN B 131 27.186 119.759 7.793 1.00 0.00 H +ATOM 2114 HB2 GLN B 131 27.290 119.100 6.199 1.00 0.00 H +ATOM 2115 HG3 GLN B 131 29.414 117.906 6.913 1.00 0.00 H +ATOM 2116 HG2 GLN B 131 29.328 118.797 8.415 1.00 0.00 H +ATOM 2117 HE22 GLN B 131 31.391 121.170 6.865 1.00 0.00 H +ATOM 2118 HE21 GLN B 131 31.231 119.901 8.059 1.00 0.00 H +ATOM 2119 N ASP B 132 24.605 118.023 6.845 1.00 24.07 N +ATOM 2120 CA ASP B 132 23.154 118.286 6.944 1.00 26.81 C +ATOM 2121 C ASP B 132 22.444 117.236 7.770 1.00 27.54 C +ATOM 2122 O ASP B 132 21.609 117.583 8.609 1.00 27.21 O +ATOM 2123 CB ASP B 132 22.481 118.413 5.574 1.00 29.44 C +ATOM 2124 CG ASP B 132 22.865 119.699 4.803 1.00 38.40 C +ATOM 2125 OD1 ASP B 132 23.453 120.662 5.384 1.00 41.12 O +ATOM 2126 OD2 ASP B 132 22.589 119.702 3.587 1.00 41.78 O1- +ATOM 2127 H ASP B 132 25.018 117.857 5.938 1.00 0.00 H +ATOM 2128 HA ASP B 132 23.031 119.240 7.456 1.00 0.00 H +ATOM 2129 HB3 ASP B 132 21.399 118.376 5.698 1.00 0.00 H +ATOM 2130 HB2 ASP B 132 22.727 117.541 4.968 1.00 0.00 H +ATOM 2131 N LEU B 133 22.774 115.968 7.545 1.00 21.81 N +ATOM 2132 CA LEU B 133 22.196 114.902 8.322 1.00 22.72 C +ATOM 2133 C LEU B 133 22.532 115.057 9.799 1.00 23.36 C +ATOM 2134 O LEU B 133 21.646 115.023 10.655 1.00 22.59 O +ATOM 2135 CB LEU B 133 22.591 113.557 7.793 1.00 23.20 C +ATOM 2136 CG LEU B 133 21.941 112.376 8.493 1.00 24.38 C +ATOM 2137 CD1 LEU B 133 20.420 112.370 8.183 1.00 27.71 C +ATOM 2138 CD2 LEU B 133 22.581 111.041 8.162 1.00 24.43 C +ATOM 2139 H LEU B 133 23.439 115.740 6.820 1.00 0.00 H +ATOM 2140 HA LEU B 133 21.113 114.982 8.226 1.00 0.00 H +ATOM 2141 HB3 LEU B 133 23.675 113.454 7.843 1.00 0.00 H +ATOM 2142 HB2 LEU B 133 22.371 113.510 6.727 1.00 0.00 H +ATOM 2143 HG LEU B 133 22.053 112.533 9.566 1.00 0.00 H +ATOM 2144 HD11 LEU B 133 19.950 111.524 8.684 1.00 0.00 H +ATOM 2145 HD12 LEU B 133 19.972 113.297 8.540 1.00 0.00 H +ATOM 2146 HD13 LEU B 133 20.268 112.285 7.107 1.00 0.00 H +ATOM 2147 HD21 LEU B 133 22.063 110.246 8.699 1.00 0.00 H +ATOM 2148 HD22 LEU B 133 22.511 110.860 7.089 1.00 0.00 H +ATOM 2149 HD23 LEU B 133 23.629 111.056 8.460 1.00 0.00 H +ATOM 2150 N ALA B 134 23.822 115.299 10.119 1.00 22.00 N +ATOM 2151 CA ALA B 134 24.199 115.456 11.477 1.00 20.44 C +ATOM 2152 C ALA B 134 23.482 116.647 12.165 1.00 20.21 C +ATOM 2153 O ALA B 134 23.017 116.521 13.296 1.00 22.23 O +ATOM 2154 CB ALA B 134 25.730 115.620 11.604 1.00 20.20 C +ATOM 2155 H ALA B 134 24.519 115.368 9.391 1.00 0.00 H +ATOM 2156 HA ALA B 134 23.917 114.547 12.008 1.00 0.00 H +ATOM 2157 HB1 ALA B 134 25.997 115.739 12.654 1.00 0.00 H +ATOM 2158 HB2 ALA B 134 26.225 114.736 11.201 1.00 0.00 H +ATOM 2159 HB3 ALA B 134 26.049 116.500 11.046 1.00 0.00 H +ATOM 2160 N ARG B 135 23.425 117.744 11.442 1.00 23.22 N +ATOM 2161 CA ARG B 135 22.700 118.942 11.923 1.00 26.22 C +ATOM 2162 C ARG B 135 21.241 118.649 12.227 1.00 25.27 C +ATOM 2163 O ARG B 135 20.724 119.072 13.275 1.00 26.12 O +ATOM 2164 CB ARG B 135 22.807 120.094 10.920 1.00 32.80 C +ATOM 2165 CG ARG B 135 22.380 121.455 11.427 1.00 42.50 C +ATOM 2166 CD ARG B 135 22.599 122.533 10.347 1.00 57.70 C +ATOM 2167 NE ARG B 135 24.045 122.707 10.092 1.00 63.71 N +ATOM 2168 CZ ARG B 135 24.738 122.331 9.007 1.00 68.72 C +ATOM 2169 NH1 ARG B 135 24.162 121.773 7.943 1.00 70.61 N +ATOM 2170 NH2 ARG B 135 26.058 122.554 8.977 1.00 71.07 N1+ +ATOM 2171 H ARG B 135 23.881 117.779 10.541 1.00 0.00 H +ATOM 2172 HA ARG B 135 23.173 119.265 12.850 1.00 0.00 H +ATOM 2173 HB3 ARG B 135 22.234 119.847 10.026 1.00 0.00 H +ATOM 2174 HB2 ARG B 135 23.830 120.153 10.548 1.00 0.00 H +ATOM 2175 HG3 ARG B 135 22.958 121.709 12.316 1.00 0.00 H +ATOM 2176 HG2 ARG B 135 21.326 121.426 11.702 1.00 0.00 H +ATOM 2177 HD3 ARG B 135 22.174 123.478 10.686 1.00 0.00 H +ATOM 2178 HD2 ARG B 135 22.102 122.230 9.426 1.00 0.00 H +ATOM 2179 HE ARG B 135 24.516 123.168 10.857 1.00 0.00 H +ATOM 2180 HH12 ARG B 135 24.723 121.505 7.147 1.00 0.00 H +ATOM 2181 HH11 ARG B 135 23.164 121.618 7.932 1.00 0.00 H +ATOM 2182 HH22 ARG B 135 26.598 122.279 8.169 1.00 0.00 H +ATOM 2183 HH21 ARG B 135 26.513 122.998 9.762 1.00 0.00 H +ATOM 2184 N SER B 136 20.624 117.850 11.388 1.00 24.50 N +ATOM 2185 CA SER B 136 19.214 117.464 11.609 1.00 26.94 C +ATOM 2186 C SER B 136 19.029 116.669 12.878 1.00 30.09 C +ATOM 2187 O SER B 136 17.966 116.708 13.480 1.00 29.09 O +ATOM 2188 CB SER B 136 18.679 116.719 10.371 1.00 28.95 C +ATOM 2189 OG SER B 136 18.990 115.301 10.394 1.00 26.35 O +ATOM 2190 H SER B 136 21.113 117.491 10.580 1.00 0.00 H +ATOM 2191 HA SER B 136 18.636 118.383 11.712 1.00 0.00 H +ATOM 2192 HB3 SER B 136 19.097 117.167 9.470 1.00 0.00 H +ATOM 2193 HB2 SER B 136 17.599 116.852 10.307 1.00 0.00 H +ATOM 2194 HG SER B 136 18.637 114.883 9.605 1.00 0.00 H +ATOM 2195 N TYR B 137 20.075 115.954 13.337 1.00 21.82 N +ATOM 2196 CA TYR B 137 20.035 115.190 14.561 1.00 23.31 C +ATOM 2197 C TYR B 137 20.551 115.952 15.782 1.00 21.72 C +ATOM 2198 O TYR B 137 20.446 115.438 16.858 1.00 27.34 O +ATOM 2199 CB TYR B 137 20.881 113.911 14.400 1.00 21.98 C +ATOM 2200 CG TYR B 137 20.473 112.936 13.348 1.00 22.85 C +ATOM 2201 CD1 TYR B 137 19.113 112.759 12.986 1.00 23.83 C +ATOM 2202 CD2 TYR B 137 21.389 112.076 12.767 1.00 21.66 C +ATOM 2203 CE1 TYR B 137 18.764 111.785 12.030 1.00 23.81 C +ATOM 2204 CE2 TYR B 137 21.032 111.143 11.854 1.00 23.88 C +ATOM 2205 CZ TYR B 137 19.674 111.020 11.488 1.00 23.78 C +ATOM 2206 OH TYR B 137 19.376 110.002 10.566 1.00 26.35 O +ATOM 2207 H TYR B 137 20.941 115.935 12.817 1.00 0.00 H +ATOM 2208 HA TYR B 137 19.002 114.897 14.750 1.00 0.00 H +ATOM 2209 HB3 TYR B 137 20.939 113.398 15.360 1.00 0.00 H +ATOM 2210 HB2 TYR B 137 21.923 114.189 14.245 1.00 0.00 H +ATOM 2211 HD1 TYR B 137 18.349 113.370 13.443 1.00 0.00 H +ATOM 2212 HD2 TYR B 137 22.433 112.135 13.038 1.00 0.00 H +ATOM 2213 HE1 TYR B 137 17.732 111.663 11.736 1.00 0.00 H +ATOM 2214 HE2 TYR B 137 21.783 110.503 11.414 1.00 0.00 H +ATOM 2215 HH TYR B 137 20.188 109.566 10.296 1.00 0.00 H +ATOM 2216 N GLY B 138 21.175 117.088 15.559 1.00 24.87 N +ATOM 2217 CA GLY B 138 21.830 117.834 16.600 1.00 28.38 C +ATOM 2218 C GLY B 138 23.108 117.196 17.125 1.00 25.23 C +ATOM 2219 O GLY B 138 23.436 117.327 18.274 1.00 26.86 O +ATOM 2220 H GLY B 138 21.208 117.471 14.625 1.00 0.00 H +ATOM 2221 HA3 GLY B 138 21.136 117.986 17.427 1.00 0.00 H +ATOM 2222 HA2 GLY B 138 22.050 118.839 16.240 1.00 0.00 H +ATOM 2223 N ILE B 139 23.820 116.501 16.253 1.00 22.24 N +ATOM 2224 CA ILE B 139 25.081 115.786 16.630 1.00 22.50 C +ATOM 2225 C ILE B 139 26.236 116.208 15.776 1.00 19.34 C +ATOM 2226 O ILE B 139 26.081 116.724 14.678 1.00 20.36 O +ATOM 2227 CB ILE B 139 24.911 114.280 16.564 1.00 22.40 C +ATOM 2228 CG1 ILE B 139 24.820 113.765 15.138 1.00 22.02 C +ATOM 2229 CG2 ILE B 139 23.731 113.801 17.432 1.00 25.83 C +ATOM 2230 CD1 ILE B 139 24.688 112.237 15.052 1.00 23.71 C +ATOM 2231 H ILE B 139 23.519 116.438 15.291 1.00 0.00 H +ATOM 2232 HA ILE B 139 25.317 116.049 17.661 1.00 0.00 H +ATOM 2233 HB ILE B 139 25.812 113.845 16.996 1.00 0.00 H +ATOM 2234 HG13 ILE B 139 25.701 114.084 14.581 1.00 0.00 H +ATOM 2235 HG12 ILE B 139 23.970 114.230 14.639 1.00 0.00 H +ATOM 2236 HG21 ILE B 139 23.642 112.717 17.358 1.00 0.00 H +ATOM 2237 HG22 ILE B 139 23.906 114.081 18.471 1.00 0.00 H +ATOM 2238 HG23 ILE B 139 22.809 114.266 17.082 1.00 0.00 H +ATOM 2239 HD11 ILE B 139 24.628 111.935 14.006 1.00 0.00 H +ATOM 2240 HD12 ILE B 139 25.557 111.770 15.515 1.00 0.00 H +ATOM 2241 HD13 ILE B 139 23.785 111.920 15.574 1.00 0.00 H +ATOM 2242 N PRO B 140 27.463 116.042 16.316 1.00 19.98 N +ATOM 2243 CA PRO B 140 28.618 116.379 15.492 1.00 18.37 C +ATOM 2244 C PRO B 140 28.852 115.388 14.321 1.00 20.29 C +ATOM 2245 O PRO B 140 28.458 114.237 14.414 1.00 19.59 O +ATOM 2246 CB PRO B 140 29.784 116.261 16.478 1.00 20.15 C +ATOM 2247 CG PRO B 140 29.171 116.293 17.810 1.00 22.94 C +ATOM 2248 CD PRO B 140 27.806 115.604 17.669 1.00 21.38 C +ATOM 2249 HA PRO B 140 28.536 117.400 15.118 1.00 0.00 H +ATOM 2250 HB3 PRO B 140 30.444 117.121 16.363 1.00 0.00 H +ATOM 2251 HB2 PRO B 140 30.285 115.304 16.333 1.00 0.00 H +ATOM 2252 HG3 PRO B 140 29.024 117.329 18.116 1.00 0.00 H +ATOM 2253 HG2 PRO B 140 29.791 115.730 18.508 1.00 0.00 H +ATOM 2254 HD2 PRO B 140 27.953 114.524 17.665 1.00 0.00 H +ATOM 2255 HD3 PRO B 140 27.108 116.054 18.375 1.00 0.00 H +ATOM 2256 N PHE B 141 29.522 115.854 13.289 1.00 19.13 N +ATOM 2257 CA PHE B 141 30.000 115.078 12.179 1.00 19.25 C +ATOM 2258 C PHE B 141 31.503 115.212 12.077 1.00 21.31 C +ATOM 2259 O PHE B 141 32.049 116.339 12.148 1.00 23.16 O +ATOM 2260 CB PHE B 141 29.417 115.573 10.867 1.00 19.80 C +ATOM 2261 CG PHE B 141 29.989 114.945 9.660 1.00 19.54 C +ATOM 2262 CD1 PHE B 141 29.979 113.592 9.464 1.00 20.99 C +ATOM 2263 CD2 PHE B 141 30.651 115.699 8.709 1.00 26.35 C +ATOM 2264 CE1 PHE B 141 30.531 112.976 8.390 1.00 23.10 C +ATOM 2265 CE2 PHE B 141 31.180 115.094 7.567 1.00 27.35 C +ATOM 2266 CZ PHE B 141 31.131 113.748 7.407 1.00 27.59 C +ATOM 2267 H PHE B 141 29.741 116.838 13.232 1.00 0.00 H +ATOM 2268 HA PHE B 141 29.735 114.031 12.324 1.00 0.00 H +ATOM 2269 HB3 PHE B 141 29.539 116.654 10.803 1.00 0.00 H +ATOM 2270 HB2 PHE B 141 28.337 115.425 10.873 1.00 0.00 H +ATOM 2271 HD1 PHE B 141 29.511 112.945 10.191 1.00 0.00 H +ATOM 2272 HD2 PHE B 141 30.762 116.764 8.846 1.00 0.00 H +ATOM 2273 HE1 PHE B 141 30.499 111.899 8.310 1.00 0.00 H +ATOM 2274 HE2 PHE B 141 31.636 115.699 6.797 1.00 0.00 H +ATOM 2275 HZ PHE B 141 31.550 113.276 6.531 1.00 0.00 H +ATOM 2276 N ILE B 142 32.185 114.096 11.885 1.00 20.97 N +ATOM 2277 CA ILE B 142 33.663 114.108 11.719 1.00 21.68 C +ATOM 2278 C ILE B 142 34.015 113.167 10.583 1.00 22.46 C +ATOM 2279 O ILE B 142 33.523 112.037 10.525 1.00 20.62 O +ATOM 2280 CB ILE B 142 34.303 113.655 12.966 1.00 23.28 C +ATOM 2281 CG1 ILE B 142 33.970 114.696 14.053 1.00 34.56 C +ATOM 2282 CG2 ILE B 142 35.850 113.689 12.862 1.00 27.12 C +ATOM 2283 CD1 ILE B 142 34.552 114.488 15.395 1.00 37.36 C +ATOM 2284 H ILE B 142 31.703 113.209 11.848 1.00 0.00 H +ATOM 2285 HA ILE B 142 33.998 115.117 11.479 1.00 0.00 H +ATOM 2286 HB ILE B 142 33.950 112.664 13.251 1.00 0.00 H +ATOM 2287 HG13 ILE B 142 32.887 114.786 14.142 1.00 0.00 H +ATOM 2288 HG12 ILE B 142 34.244 115.688 13.694 1.00 0.00 H +ATOM 2289 HG21 ILE B 142 36.285 113.348 13.801 1.00 0.00 H +ATOM 2290 HG22 ILE B 142 36.175 113.035 12.053 1.00 0.00 H +ATOM 2291 HG23 ILE B 142 36.179 114.708 12.659 1.00 0.00 H +ATOM 2292 HD11 ILE B 142 34.235 115.293 16.058 1.00 0.00 H +ATOM 2293 HD12 ILE B 142 34.211 113.533 15.796 1.00 0.00 H +ATOM 2294 HD13 ILE B 142 35.640 114.484 15.323 1.00 0.00 H +ATOM 2295 N GLU B 143 34.836 113.658 9.632 1.00 20.80 N +ATOM 2296 CA GLU B 143 35.397 112.797 8.625 1.00 19.38 C +ATOM 2297 C GLU B 143 36.685 112.145 9.136 1.00 20.34 C +ATOM 2298 O GLU B 143 37.496 112.811 9.803 1.00 20.45 O +ATOM 2299 CB GLU B 143 35.708 113.533 7.316 1.00 27.33 C +ATOM 2300 CG GLU B 143 34.364 113.741 6.586 1.00 40.12 C +ATOM 2301 CD GLU B 143 34.434 114.171 5.097 1.00 49.24 C +ATOM 2302 OE1 GLU B 143 35.578 114.537 4.663 1.00 41.60 O +ATOM 2303 OE2 GLU B 143 33.317 114.080 4.403 1.00 38.33 O1- +ATOM 2304 H GLU B 143 35.064 114.642 9.621 1.00 0.00 H +ATOM 2305 HA GLU B 143 34.676 112.008 8.410 1.00 0.00 H +ATOM 2306 HB3 GLU B 143 36.363 112.917 6.700 1.00 0.00 H +ATOM 2307 HB2 GLU B 143 36.152 114.503 7.542 1.00 0.00 H +ATOM 2308 HG3 GLU B 143 33.763 114.462 7.140 1.00 0.00 H +ATOM 2309 HG2 GLU B 143 33.766 112.833 6.669 1.00 0.00 H +ATOM 2310 N THR B 144 36.829 110.864 8.836 1.00 17.84 N +ATOM 2311 CA THR B 144 37.971 110.110 9.383 1.00 16.80 C +ATOM 2312 C THR B 144 38.611 109.284 8.336 1.00 17.55 C +ATOM 2313 O THR B 144 37.995 108.925 7.312 1.00 17.63 O +ATOM 2314 CB THR B 144 37.546 109.150 10.537 1.00 18.60 C +ATOM 2315 OG1 THR B 144 36.611 108.170 10.067 1.00 18.15 O +ATOM 2316 CG2 THR B 144 36.969 109.868 11.707 1.00 18.04 C +ATOM 2317 H THR B 144 36.158 110.408 8.235 1.00 0.00 H +ATOM 2318 HA THR B 144 38.705 110.817 9.768 1.00 0.00 H +ATOM 2319 HB THR B 144 38.438 108.623 10.877 1.00 0.00 H +ATOM 2320 HG1 THR B 144 36.363 107.591 10.791 1.00 0.00 H +ATOM 2321 HG21 THR B 144 36.693 109.147 12.476 1.00 0.00 H +ATOM 2322 HG22 THR B 144 37.708 110.562 12.109 1.00 0.00 H +ATOM 2323 HG23 THR B 144 36.084 110.422 11.394 1.00 0.00 H +ATOM 2324 N SER B 145 39.848 108.868 8.605 1.00 17.71 N +ATOM 2325 CA SER B 145 40.482 107.799 7.907 1.00 16.50 C +ATOM 2326 C SER B 145 41.250 106.931 8.870 1.00 17.99 C +ATOM 2327 O SER B 145 42.175 107.413 9.546 1.00 18.05 O +ATOM 2328 CB SER B 145 41.470 108.309 6.832 1.00 22.11 C +ATOM 2329 OG SER B 145 42.231 107.205 6.317 1.00 19.59 O +ATOM 2330 H SER B 145 40.384 109.316 9.335 1.00 0.00 H +ATOM 2331 HA SER B 145 39.717 107.193 7.422 1.00 0.00 H +ATOM 2332 HB3 SER B 145 42.146 109.039 7.277 1.00 0.00 H +ATOM 2333 HB2 SER B 145 40.913 108.777 6.020 1.00 0.00 H +ATOM 2334 HG SER B 145 42.844 107.522 5.650 1.00 0.00 H +ATOM 2335 N ALA B 146 40.869 105.665 8.974 1.00 17.75 N +ATOM 2336 CA ALA B 146 41.586 104.750 9.806 1.00 19.64 C +ATOM 2337 C ALA B 146 43.023 104.505 9.258 1.00 21.37 C +ATOM 2338 O ALA B 146 43.880 104.059 9.990 1.00 21.33 O +ATOM 2339 CB ALA B 146 40.868 103.426 9.885 1.00 18.78 C +ATOM 2340 H ALA B 146 40.063 105.336 8.462 1.00 0.00 H +ATOM 2341 HA ALA B 146 41.659 105.170 10.809 1.00 0.00 H +ATOM 2342 HB1 ALA B 146 41.431 102.744 10.523 1.00 0.00 H +ATOM 2343 HB2 ALA B 146 39.873 103.576 10.303 1.00 0.00 H +ATOM 2344 HB3 ALA B 146 40.781 102.999 8.886 1.00 0.00 H +ATOM 2345 N LYS B 147 43.252 104.826 7.999 1.00 20.89 N +ATOM 2346 CA LYS B 147 44.582 104.643 7.374 1.00 22.84 C +ATOM 2347 C LYS B 147 45.506 105.790 7.625 1.00 26.63 C +ATOM 2348 O LYS B 147 46.635 105.633 8.096 1.00 23.74 O +ATOM 2349 CB LYS B 147 44.379 104.366 5.907 1.00 26.12 C +ATOM 2350 CG LYS B 147 45.659 103.985 5.172 1.00 29.51 C +ATOM 2351 CD LYS B 147 45.300 103.615 3.735 1.00 29.44 C +ATOM 2352 CE LYS B 147 46.449 102.878 3.075 1.00 36.90 C +ATOM 2353 NZ LYS B 147 46.104 102.988 1.603 1.00 38.17 N1+ +ATOM 2354 H LYS B 147 42.509 105.209 7.432 1.00 0.00 H +ATOM 2355 HA LYS B 147 45.033 103.755 7.816 1.00 0.00 H +ATOM 2356 HB3 LYS B 147 43.936 105.241 5.432 1.00 0.00 H +ATOM 2357 HB2 LYS B 147 43.643 103.571 5.788 1.00 0.00 H +ATOM 2358 HG3 LYS B 147 46.118 103.127 5.664 1.00 0.00 H +ATOM 2359 HG2 LYS B 147 46.342 104.834 5.168 1.00 0.00 H +ATOM 2360 HD3 LYS B 147 45.079 104.521 3.171 1.00 0.00 H +ATOM 2361 HD2 LYS B 147 44.414 102.981 3.734 1.00 0.00 H +ATOM 2362 HE3 LYS B 147 46.421 101.830 3.373 1.00 0.00 H +ATOM 2363 HE2 LYS B 147 47.378 103.415 3.267 1.00 0.00 H +ATOM 2364 HZ1 LYS B 147 46.814 102.523 1.055 1.00 0.00 H +ATOM 2365 HZ2 LYS B 147 45.209 102.552 1.433 1.00 0.00 H +ATOM 2366 HZ3 LYS B 147 46.059 103.962 1.339 1.00 0.00 H +ATOM 2367 N THR B 148 45.068 106.991 7.386 1.00 21.45 N +ATOM 2368 CA THR B 148 45.892 108.142 7.671 1.00 24.43 C +ATOM 2369 C THR B 148 45.848 108.656 9.112 1.00 27.11 C +ATOM 2370 O THR B 148 46.605 109.579 9.471 1.00 29.16 O +ATOM 2371 CB THR B 148 45.559 109.322 6.780 1.00 26.23 C +ATOM 2372 OG1 THR B 148 44.295 109.884 7.167 1.00 21.87 O +ATOM 2373 CG2 THR B 148 45.516 108.984 5.367 1.00 25.17 C +ATOM 2374 H THR B 148 44.145 107.124 6.998 1.00 0.00 H +ATOM 2375 HA THR B 148 46.924 107.860 7.461 1.00 0.00 H +ATOM 2376 HB THR B 148 46.326 110.083 6.924 1.00 0.00 H +ATOM 2377 HG1 THR B 148 44.089 110.631 6.600 1.00 0.00 H +ATOM 2378 HG21 THR B 148 45.272 109.874 4.787 1.00 0.00 H +ATOM 2379 HG22 THR B 148 46.488 108.602 5.054 1.00 0.00 H +ATOM 2380 HG23 THR B 148 44.755 108.222 5.198 1.00 0.00 H +ATOM 2381 N ARG B 149 44.854 108.178 9.897 1.00 22.75 N +ATOM 2382 CA ARG B 149 44.559 108.638 11.223 1.00 22.25 C +ATOM 2383 C ARG B 149 43.810 109.929 11.304 1.00 21.98 C +ATOM 2384 O ARG B 149 43.488 110.417 12.409 1.00 23.58 O +ATOM 2385 CB ARG B 149 45.868 108.657 12.161 1.00 27.74 C +ATOM 2386 CG ARG B 149 45.677 108.140 13.572 1.00 35.63 C +ATOM 2387 CD ARG B 149 46.735 108.701 14.681 1.00 39.44 C +ATOM 2388 NE ARG B 149 46.182 108.629 16.134 1.00 32.64 N +ATOM 2389 CZ ARG B 149 46.018 107.458 16.667 1.00 35.07 C +ATOM 2390 NH1 ARG B 149 45.540 107.156 17.864 1.00 47.91 N +ATOM 2391 NH2 ARG B 149 46.353 106.443 15.926 1.00 28.07 N1+ +ATOM 2392 H ARG B 149 44.253 107.441 9.558 1.00 0.00 H +ATOM 2393 HA ARG B 149 43.898 107.887 11.655 1.00 0.00 H +ATOM 2394 HB3 ARG B 149 46.268 109.670 12.200 1.00 0.00 H +ATOM 2395 HB2 ARG B 149 46.666 108.094 11.677 1.00 0.00 H +ATOM 2396 HG3 ARG B 149 45.709 107.050 13.563 1.00 0.00 H +ATOM 2397 HG2 ARG B 149 44.661 108.359 13.901 1.00 0.00 H +ATOM 2398 HD3 ARG B 149 46.996 109.732 14.443 1.00 0.00 H +ATOM 2399 HD2 ARG B 149 47.662 108.131 14.618 1.00 0.00 H +ATOM 2400 HE ARG B 149 45.953 109.460 16.660 1.00 0.00 H +ATOM 2401 HH12 ARG B 149 45.468 106.190 18.150 1.00 0.00 H +ATOM 2402 HH11 ARG B 149 45.247 107.892 18.491 1.00 0.00 H +ATOM 2403 HH22 ARG B 149 46.250 105.503 16.281 1.00 0.00 H +ATOM 2404 HH21 ARG B 149 46.716 106.595 14.996 1.00 0.00 H +ATOM 2405 N GLN B 150 43.495 110.592 10.166 1.00 20.96 N +ATOM 2406 CA GLN B 150 42.737 111.806 10.201 1.00 22.05 C +ATOM 2407 C GLN B 150 41.472 111.558 11.011 1.00 19.55 C +ATOM 2408 O GLN B 150 40.742 110.596 10.740 1.00 20.31 O +ATOM 2409 CB GLN B 150 42.365 112.279 8.794 1.00 21.87 C +ATOM 2410 CG GLN B 150 41.428 113.483 8.773 1.00 22.93 C +ATOM 2411 CD GLN B 150 41.028 113.939 7.375 1.00 23.53 C +ATOM 2412 OE1 GLN B 150 41.712 113.620 6.415 1.00 25.65 O +ATOM 2413 NE2 GLN B 150 39.888 114.586 7.260 1.00 27.22 N +ATOM 2414 H GLN B 150 43.796 110.231 9.272 1.00 0.00 H +ATOM 2415 HA GLN B 150 43.327 112.580 10.692 1.00 0.00 H +ATOM 2416 HB3 GLN B 150 41.908 111.456 8.245 1.00 0.00 H +ATOM 2417 HB2 GLN B 150 43.273 112.518 8.241 1.00 0.00 H +ATOM 2418 HG3 GLN B 150 41.894 114.313 9.304 1.00 0.00 H +ATOM 2419 HG2 GLN B 150 40.531 113.253 9.348 1.00 0.00 H +ATOM 2420 HE22 GLN B 150 39.580 114.909 6.354 1.00 0.00 H +ATOM 2421 HE21 GLN B 150 39.321 114.760 8.078 1.00 0.00 H +ATOM 2422 N GLY B 151 41.244 112.425 11.992 1.00 18.67 N +ATOM 2423 CA GLY B 151 40.013 112.421 12.718 1.00 21.18 C +ATOM 2424 C GLY B 151 39.797 111.303 13.697 1.00 17.67 C +ATOM 2425 O GLY B 151 38.729 111.339 14.354 1.00 19.15 O +ATOM 2426 H GLY B 151 41.948 113.106 12.238 1.00 0.00 H +ATOM 2427 HA3 GLY B 151 39.182 112.446 12.014 1.00 0.00 H +ATOM 2428 HA2 GLY B 151 39.898 113.375 13.233 1.00 0.00 H +ATOM 2429 N VAL B 152 40.685 110.353 13.838 1.00 19.31 N +ATOM 2430 CA VAL B 152 40.413 109.175 14.663 1.00 21.14 C +ATOM 2431 C VAL B 152 40.270 109.519 16.157 1.00 20.31 C +ATOM 2432 O VAL B 152 39.254 109.260 16.792 1.00 18.96 O +ATOM 2433 CB VAL B 152 41.450 108.078 14.478 1.00 20.88 C +ATOM 2434 CG1 VAL B 152 41.178 106.941 15.376 1.00 25.23 C +ATOM 2435 CG2 VAL B 152 41.370 107.575 13.036 1.00 20.47 C +ATOM 2436 H VAL B 152 41.579 110.424 13.373 1.00 0.00 H +ATOM 2437 HA VAL B 152 39.456 108.769 14.335 1.00 0.00 H +ATOM 2438 HB VAL B 152 42.446 108.474 14.676 1.00 0.00 H +ATOM 2439 HG11 VAL B 152 41.933 106.169 15.225 1.00 0.00 H +ATOM 2440 HG12 VAL B 152 41.208 107.280 16.412 1.00 0.00 H +ATOM 2441 HG13 VAL B 152 40.192 106.532 15.156 1.00 0.00 H +ATOM 2442 HG21 VAL B 152 42.107 106.787 12.884 1.00 0.00 H +ATOM 2443 HG22 VAL B 152 40.372 107.181 12.843 1.00 0.00 H +ATOM 2444 HG23 VAL B 152 41.573 108.399 12.352 1.00 0.00 H +ATOM 2445 N ASP B 153 41.285 110.159 16.726 1.00 19.18 N +ATOM 2446 CA ASP B 153 41.177 110.632 18.080 1.00 19.85 C +ATOM 2447 C ASP B 153 40.004 111.577 18.221 1.00 18.78 C +ATOM 2448 O ASP B 153 39.226 111.463 19.179 1.00 19.48 O +ATOM 2449 CB ASP B 153 42.433 111.364 18.544 1.00 23.22 C +ATOM 2450 CG ASP B 153 43.658 110.449 18.693 1.00 30.36 C +ATOM 2451 OD1 ASP B 153 43.540 109.278 19.110 1.00 30.94 O +ATOM 2452 OD2 ASP B 153 44.771 110.924 18.373 1.00 36.30 O1- +ATOM 2453 H ASP B 153 42.138 110.316 16.208 1.00 0.00 H +ATOM 2454 HA ASP B 153 41.013 109.776 18.734 1.00 0.00 H +ATOM 2455 HB3 ASP B 153 42.233 111.858 19.495 1.00 0.00 H +ATOM 2456 HB2 ASP B 153 42.664 112.166 17.843 1.00 0.00 H +ATOM 2457 N ASP B 154 39.818 112.494 17.277 1.00 18.51 N +ATOM 2458 CA ASP B 154 38.768 113.495 17.346 1.00 18.10 C +ATOM 2459 C ASP B 154 37.355 112.837 17.417 1.00 18.23 C +ATOM 2460 O ASP B 154 36.515 113.256 18.217 1.00 18.39 O +ATOM 2461 CB ASP B 154 38.856 114.393 16.139 1.00 21.11 C +ATOM 2462 CG ASP B 154 37.979 115.662 16.196 1.00 22.66 C +ATOM 2463 OD1 ASP B 154 37.415 116.001 17.240 1.00 25.64 O +ATOM 2464 OD2 ASP B 154 38.057 116.359 15.116 1.00 27.09 O1- +ATOM 2465 H ASP B 154 40.421 112.515 16.467 1.00 0.00 H +ATOM 2466 HA ASP B 154 38.918 114.098 18.242 1.00 0.00 H +ATOM 2467 HB3 ASP B 154 38.605 113.821 15.246 1.00 0.00 H +ATOM 2468 HB2 ASP B 154 39.895 114.680 15.979 1.00 0.00 H +ATOM 2469 N ALA B 155 37.137 111.764 16.651 1.00 18.12 N +ATOM 2470 CA ALA B 155 35.838 111.084 16.744 1.00 17.22 C +ATOM 2471 C ALA B 155 35.524 110.567 18.130 1.00 17.19 C +ATOM 2472 O ALA B 155 34.416 110.806 18.679 1.00 17.51 O +ATOM 2473 CB ALA B 155 35.752 109.985 15.699 1.00 17.01 C +ATOM 2474 H ALA B 155 37.858 111.436 16.024 1.00 0.00 H +ATOM 2475 HA ALA B 155 35.073 111.820 16.497 1.00 0.00 H +ATOM 2476 HB1 ALA B 155 34.786 109.486 15.775 1.00 0.00 H +ATOM 2477 HB2 ALA B 155 35.859 110.419 14.705 1.00 0.00 H +ATOM 2478 HB3 ALA B 155 36.549 109.260 15.867 1.00 0.00 H +ATOM 2479 N PHE B 156 36.476 109.868 18.732 1.00 17.41 N +ATOM 2480 CA PHE B 156 36.278 109.290 20.036 1.00 18.73 C +ATOM 2481 C PHE B 156 36.196 110.391 21.105 1.00 16.91 C +ATOM 2482 O PHE B 156 35.352 110.298 22.032 1.00 17.79 O +ATOM 2483 CB PHE B 156 37.332 108.246 20.353 1.00 18.53 C +ATOM 2484 CG PHE B 156 37.138 106.963 19.567 1.00 18.09 C +ATOM 2485 CD1 PHE B 156 36.312 105.943 20.053 1.00 20.89 C +ATOM 2486 CD2 PHE B 156 37.801 106.768 18.393 1.00 17.29 C +ATOM 2487 CE1 PHE B 156 36.165 104.757 19.346 1.00 21.48 C +ATOM 2488 CE2 PHE B 156 37.674 105.583 17.663 1.00 17.67 C +ATOM 2489 CZ PHE B 156 36.861 104.602 18.156 1.00 19.89 C +ATOM 2490 H PHE B 156 37.366 109.730 18.276 1.00 0.00 H +ATOM 2491 HA PHE B 156 35.314 108.782 20.021 1.00 0.00 H +ATOM 2492 HB3 PHE B 156 37.312 108.024 21.420 1.00 0.00 H +ATOM 2493 HB2 PHE B 156 38.321 108.654 20.142 1.00 0.00 H +ATOM 2494 HD1 PHE B 156 35.783 106.075 20.985 1.00 0.00 H +ATOM 2495 HD2 PHE B 156 38.446 107.541 18.002 1.00 0.00 H +ATOM 2496 HE1 PHE B 156 35.519 103.979 19.725 1.00 0.00 H +ATOM 2497 HE2 PHE B 156 38.211 105.461 16.734 1.00 0.00 H +ATOM 2498 HZ PHE B 156 36.768 103.686 17.592 1.00 0.00 H +ATOM 2499 N TYR B 157 37.089 111.367 21.020 1.00 17.91 N +ATOM 2500 CA TYR B 157 37.104 112.445 22.037 1.00 19.42 C +ATOM 2501 C TYR B 157 35.841 113.276 21.986 1.00 17.79 C +ATOM 2502 O TYR B 157 35.290 113.638 23.036 1.00 19.37 O +ATOM 2503 CB TYR B 157 38.305 113.356 21.873 1.00 19.88 C +ATOM 2504 CG TYR B 157 39.673 112.744 22.141 1.00 22.45 C +ATOM 2505 CD1 TYR B 157 39.872 111.435 22.403 1.00 23.43 C +ATOM 2506 CD2 TYR B 157 40.776 113.588 22.127 1.00 27.71 C +ATOM 2507 CE1 TYR B 157 41.150 110.935 22.639 1.00 27.28 C +ATOM 2508 CE2 TYR B 157 42.053 113.103 22.390 1.00 31.82 C +ATOM 2509 CZ TYR B 157 42.209 111.806 22.636 1.00 27.96 C +ATOM 2510 OH TYR B 157 43.506 111.318 22.877 1.00 32.68 O +ATOM 2511 H TYR B 157 37.758 111.375 20.263 1.00 0.00 H +ATOM 2512 HA TYR B 157 37.164 111.981 23.021 1.00 0.00 H +ATOM 2513 HB3 TYR B 157 38.176 114.236 22.503 1.00 0.00 H +ATOM 2514 HB2 TYR B 157 38.295 113.786 20.872 1.00 0.00 H +ATOM 2515 HD1 TYR B 157 39.032 110.756 22.432 1.00 0.00 H +ATOM 2516 HD2 TYR B 157 40.650 114.638 21.910 1.00 0.00 H +ATOM 2517 HE1 TYR B 157 41.292 109.880 22.820 1.00 0.00 H +ATOM 2518 HE2 TYR B 157 42.897 113.777 22.392 1.00 0.00 H +ATOM 2519 HH TYR B 157 44.133 112.044 22.842 1.00 0.00 H +ATOM 2520 N THR B 158 35.391 113.562 20.774 1.00 18.94 N +ATOM 2521 CA THR B 158 34.121 114.305 20.558 1.00 21.53 C +ATOM 2522 C THR B 158 32.956 113.539 21.187 1.00 20.74 C +ATOM 2523 O THR B 158 32.102 114.123 21.844 1.00 18.84 O +ATOM 2524 CB THR B 158 33.924 114.612 19.084 1.00 22.26 C +ATOM 2525 OG1 THR B 158 34.943 115.543 18.650 1.00 19.93 O +ATOM 2526 CG2 THR B 158 32.578 115.246 18.838 1.00 22.08 C +ATOM 2527 H THR B 158 35.915 113.274 19.960 1.00 0.00 H +ATOM 2528 HA THR B 158 34.206 115.257 21.081 1.00 0.00 H +ATOM 2529 HB THR B 158 34.003 113.691 18.507 1.00 0.00 H +ATOM 2530 HG1 THR B 158 34.822 115.740 17.718 1.00 0.00 H +ATOM 2531 HG21 THR B 158 32.463 115.455 17.774 1.00 0.00 H +ATOM 2532 HG22 THR B 158 31.791 114.565 19.161 1.00 0.00 H +ATOM 2533 HG23 THR B 158 32.506 116.177 19.401 1.00 0.00 H +ATOM 2534 N LEU B 159 32.938 112.245 21.014 1.00 19.15 N +ATOM 2535 CA LEU B 159 31.875 111.421 21.621 1.00 19.15 C +ATOM 2536 C LEU B 159 31.881 111.511 23.148 1.00 19.18 C +ATOM 2537 O LEU B 159 30.836 111.703 23.783 1.00 19.86 O +ATOM 2538 CB LEU B 159 31.899 110.008 21.127 1.00 17.09 C +ATOM 2539 CG LEU B 159 30.839 109.082 21.703 1.00 18.98 C +ATOM 2540 CD1 LEU B 159 29.464 109.570 21.343 1.00 18.51 C +ATOM 2541 CD2 LEU B 159 31.012 107.669 21.166 1.00 17.46 C +ATOM 2542 H LEU B 159 33.656 111.799 20.461 1.00 0.00 H +ATOM 2543 HA LEU B 159 30.928 111.847 21.291 1.00 0.00 H +ATOM 2544 HB3 LEU B 159 32.886 109.581 21.307 1.00 0.00 H +ATOM 2545 HB2 LEU B 159 31.826 110.006 20.039 1.00 0.00 H +ATOM 2546 HG LEU B 159 30.936 109.063 22.789 1.00 0.00 H +ATOM 2547 HD11 LEU B 159 28.717 108.896 21.763 1.00 0.00 H +ATOM 2548 HD12 LEU B 159 29.316 110.572 21.746 1.00 0.00 H +ATOM 2549 HD13 LEU B 159 29.360 109.597 20.258 1.00 0.00 H +ATOM 2550 HD21 LEU B 159 30.244 107.022 21.590 1.00 0.00 H +ATOM 2551 HD22 LEU B 159 30.919 107.679 20.080 1.00 0.00 H +ATOM 2552 HD23 LEU B 159 31.997 107.293 21.443 1.00 0.00 H +ATOM 2553 N VAL B 160 33.073 111.468 23.754 1.00 20.25 N +ATOM 2554 CA VAL B 160 33.174 111.673 25.194 1.00 21.52 C +ATOM 2555 C VAL B 160 32.667 113.046 25.586 1.00 18.53 C +ATOM 2556 O VAL B 160 31.930 113.157 26.552 1.00 19.29 O +ATOM 2557 CB VAL B 160 34.617 111.451 25.668 1.00 19.91 C +ATOM 2558 CG1 VAL B 160 34.779 111.956 27.117 1.00 21.08 C +ATOM 2559 CG2 VAL B 160 34.946 110.018 25.570 1.00 20.28 C +ATOM 2560 H VAL B 160 33.908 111.293 23.214 1.00 0.00 H +ATOM 2561 HA VAL B 160 32.543 110.931 25.683 1.00 0.00 H +ATOM 2562 HB VAL B 160 35.291 112.013 25.021 1.00 0.00 H +ATOM 2563 HG11 VAL B 160 35.806 111.795 27.446 1.00 0.00 H +ATOM 2564 HG12 VAL B 160 34.547 113.020 27.159 1.00 0.00 H +ATOM 2565 HG13 VAL B 160 34.099 111.410 27.771 1.00 0.00 H +ATOM 2566 HG21 VAL B 160 35.970 109.856 25.906 1.00 0.00 H +ATOM 2567 HG22 VAL B 160 34.264 109.444 26.197 1.00 0.00 H +ATOM 2568 HG23 VAL B 160 34.848 109.692 24.534 1.00 0.00 H +ATOM 2569 N ARG B 161 33.001 114.062 24.829 1.00 17.64 N +ATOM 2570 CA ARG B 161 32.513 115.406 25.097 1.00 20.69 C +ATOM 2571 C ARG B 161 30.965 115.439 25.037 1.00 24.01 C +ATOM 2572 O ARG B 161 30.336 116.111 25.851 1.00 22.36 O +ATOM 2573 CB ARG B 161 33.092 116.460 24.178 1.00 22.01 C +ATOM 2574 CG ARG B 161 34.590 116.682 24.374 1.00 22.86 C +ATOM 2575 CD ARG B 161 35.072 117.974 23.671 1.00 23.35 C +ATOM 2576 NE ARG B 161 36.525 117.994 23.756 1.00 25.53 N +ATOM 2577 CZ ARG B 161 37.379 117.544 22.858 1.00 24.31 C +ATOM 2578 NH1 ARG B 161 36.986 117.090 21.705 1.00 24.53 N +ATOM 2579 NH2 ARG B 161 38.670 117.590 23.144 1.00 24.63 N1+ +ATOM 2580 H ARG B 161 33.612 113.922 24.037 1.00 0.00 H +ATOM 2581 HA ARG B 161 32.806 115.663 26.115 1.00 0.00 H +ATOM 2582 HB3 ARG B 161 32.564 117.401 24.329 1.00 0.00 H +ATOM 2583 HB2 ARG B 161 32.900 116.181 23.142 1.00 0.00 H +ATOM 2584 HG3 ARG B 161 35.138 115.827 23.978 1.00 0.00 H +ATOM 2585 HG2 ARG B 161 34.811 116.745 25.440 1.00 0.00 H +ATOM 2586 HD3 ARG B 161 34.666 118.842 24.190 1.00 0.00 H +ATOM 2587 HD2 ARG B 161 34.770 117.951 22.624 1.00 0.00 H +ATOM 2588 HE ARG B 161 36.864 118.407 24.613 1.00 0.00 H +ATOM 2589 HH12 ARG B 161 37.664 116.752 21.038 1.00 0.00 H +ATOM 2590 HH11 ARG B 161 36.002 117.075 21.477 1.00 0.00 H +ATOM 2591 HH22 ARG B 161 39.348 117.252 22.476 1.00 0.00 H +ATOM 2592 HH21 ARG B 161 38.978 117.963 24.031 1.00 0.00 H +ATOM 2593 N GLU B 162 30.392 114.722 24.075 1.00 22.18 N +ATOM 2594 CA GLU B 162 28.922 114.625 24.005 1.00 20.60 C +ATOM 2595 C GLU B 162 28.318 113.907 25.188 1.00 21.80 C +ATOM 2596 O GLU B 162 27.255 114.339 25.696 1.00 24.09 O +ATOM 2597 CB GLU B 162 28.506 113.934 22.680 1.00 20.21 C +ATOM 2598 CG GLU B 162 28.840 114.734 21.459 1.00 22.58 C +ATOM 2599 CD GLU B 162 28.116 116.059 21.364 1.00 29.00 C +ATOM 2600 OE1 GLU B 162 26.879 116.024 21.295 1.00 28.45 O +ATOM 2601 OE2 GLU B 162 28.769 117.123 21.371 1.00 34.41 O1- +ATOM 2602 H GLU B 162 30.963 114.244 23.393 1.00 0.00 H +ATOM 2603 HA GLU B 162 28.522 115.639 23.991 1.00 0.00 H +ATOM 2604 HB3 GLU B 162 27.435 113.732 22.698 1.00 0.00 H +ATOM 2605 HB2 GLU B 162 28.986 112.957 22.615 1.00 0.00 H +ATOM 2606 HG3 GLU B 162 28.627 114.141 20.569 1.00 0.00 H +ATOM 2607 HG2 GLU B 162 29.916 114.907 21.424 1.00 0.00 H +ATOM 2608 N ILE B 163 28.946 112.860 25.667 1.00 19.46 N +ATOM 2609 CA ILE B 163 28.477 112.135 26.849 1.00 21.61 C +ATOM 2610 C ILE B 163 28.528 113.098 28.058 1.00 23.98 C +ATOM 2611 O ILE B 163 27.561 113.190 28.821 1.00 25.04 O +ATOM 2612 CB ILE B 163 29.265 110.897 27.145 1.00 20.85 C +ATOM 2613 CG1 ILE B 163 28.996 109.883 25.988 1.00 21.81 C +ATOM 2614 CG2 ILE B 163 28.815 110.243 28.443 1.00 23.13 C +ATOM 2615 CD1 ILE B 163 29.940 108.693 25.988 1.00 20.94 C +ATOM 2616 H ILE B 163 29.787 112.526 25.218 1.00 0.00 H +ATOM 2617 HA ILE B 163 27.438 111.848 26.684 1.00 0.00 H +ATOM 2618 HB ILE B 163 30.328 111.134 27.195 1.00 0.00 H +ATOM 2619 HG13 ILE B 163 29.066 110.400 25.031 1.00 0.00 H +ATOM 2620 HG12 ILE B 163 27.967 109.528 26.050 1.00 0.00 H +ATOM 2621 HG21 ILE B 163 29.410 109.348 28.625 1.00 0.00 H +ATOM 2622 HG22 ILE B 163 28.950 110.942 29.268 1.00 0.00 H +ATOM 2623 HG23 ILE B 163 27.762 109.970 28.367 1.00 0.00 H +ATOM 2624 HD11 ILE B 163 29.693 108.033 25.157 1.00 0.00 H +ATOM 2625 HD12 ILE B 163 30.967 109.043 25.880 1.00 0.00 H +ATOM 2626 HD13 ILE B 163 29.839 108.148 26.927 1.00 0.00 H +ATOM 2627 N ARG B 164 29.638 113.815 28.216 1.00 23.96 N +ATOM 2628 CA ARG B 164 29.766 114.744 29.361 1.00 24.73 C +ATOM 2629 C ARG B 164 28.704 115.823 29.321 1.00 29.59 C +ATOM 2630 O ARG B 164 28.189 116.189 30.370 1.00 29.76 O +ATOM 2631 CB ARG B 164 31.150 115.407 29.397 1.00 25.43 C +ATOM 2632 CG ARG B 164 32.184 114.417 29.816 1.00 25.96 C +ATOM 2633 CD ARG B 164 33.567 115.086 29.619 1.00 25.65 C +ATOM 2634 NE ARG B 164 34.585 114.193 30.085 1.00 30.46 N +ATOM 2635 CZ ARG B 164 35.901 114.426 29.898 1.00 28.25 C +ATOM 2636 NH1 ARG B 164 36.340 115.452 29.227 1.00 25.53 N +ATOM 2637 NH2 ARG B 164 36.753 113.528 30.378 1.00 33.50 N1+ +ATOM 2638 H ARG B 164 30.395 113.726 27.554 1.00 0.00 H +ATOM 2639 HA ARG B 164 29.637 114.172 30.280 1.00 0.00 H +ATOM 2640 HB3 ARG B 164 31.136 116.238 30.102 1.00 0.00 H +ATOM 2641 HB2 ARG B 164 31.395 115.790 28.406 1.00 0.00 H +ATOM 2642 HG3 ARG B 164 32.116 113.532 29.184 1.00 0.00 H +ATOM 2643 HG2 ARG B 164 32.046 114.172 30.869 1.00 0.00 H +ATOM 2644 HD3 ARG B 164 33.607 116.013 30.192 1.00 0.00 H +ATOM 2645 HD2 ARG B 164 33.723 115.293 28.560 1.00 0.00 H +ATOM 2646 HE ARG B 164 34.284 113.361 30.571 1.00 0.00 H +ATOM 2647 HH12 ARG B 164 37.333 115.591 29.110 1.00 0.00 H +ATOM 2648 HH11 ARG B 164 35.687 116.109 28.824 1.00 0.00 H +ATOM 2649 HH22 ARG B 164 37.747 113.662 30.261 1.00 0.00 H +ATOM 2650 HH21 ARG B 164 36.407 112.711 30.860 1.00 0.00 H +ATOM 2651 N LYS B 165 28.418 116.383 28.153 1.00 26.36 N +ATOM 2652 CA LYS B 165 27.340 117.379 27.991 1.00 29.74 C +ATOM 2653 C LYS B 165 25.993 116.810 28.430 1.00 35.57 C +ATOM 2654 O LYS B 165 25.215 117.483 29.092 1.00 34.10 O +ATOM 2655 CB LYS B 165 27.249 117.932 26.590 1.00 32.92 C +ATOM 2656 CG LYS B 165 28.330 118.924 26.288 1.00 38.81 C +ATOM 2657 CD LYS B 165 28.104 119.701 25.004 1.00 47.09 C +ATOM 2658 CE LYS B 165 28.678 118.993 23.814 1.00 48.72 C +ATOM 2659 NZ LYS B 165 28.026 119.493 22.571 1.00 54.87 N1+ +ATOM 2660 H LYS B 165 28.947 116.132 27.330 1.00 0.00 H +ATOM 2661 HA LYS B 165 27.569 118.214 28.653 1.00 0.00 H +ATOM 2662 HB3 LYS B 165 26.276 118.402 26.449 1.00 0.00 H +ATOM 2663 HB2 LYS B 165 27.299 117.112 25.873 1.00 0.00 H +ATOM 2664 HG3 LYS B 165 29.289 118.409 26.235 1.00 0.00 H +ATOM 2665 HG2 LYS B 165 28.424 119.621 27.121 1.00 0.00 H +ATOM 2666 HD3 LYS B 165 28.558 120.688 25.093 1.00 0.00 H +ATOM 2667 HD2 LYS B 165 27.035 119.852 24.855 1.00 0.00 H +ATOM 2668 HE3 LYS B 165 28.503 117.921 23.910 1.00 0.00 H +ATOM 2669 HE2 LYS B 165 29.750 119.181 23.762 1.00 0.00 H +ATOM 2670 HZ1 LYS B 165 28.414 119.015 21.771 1.00 0.00 H +ATOM 2671 HZ2 LYS B 165 27.032 119.318 22.618 1.00 0.00 H +ATOM 2672 HZ3 LYS B 165 28.189 120.486 22.481 1.00 0.00 H +ATOM 2673 N HIS B 166 25.734 115.572 28.085 1.00 31.02 N +ATOM 2674 CA HIS B 166 24.475 114.927 28.422 1.00 35.40 C +ATOM 2675 C HIS B 166 24.394 114.666 29.935 1.00 36.13 C +ATOM 2676 O HIS B 166 23.315 114.782 30.495 1.00 36.49 O +ATOM 2677 CB HIS B 166 24.307 113.658 27.583 1.00 35.32 C +ATOM 2678 CG HIS B 166 23.163 112.778 27.971 1.00 42.95 C +ATOM 2679 ND1 HIS B 166 21.880 112.948 27.486 1.00 46.45 N +ATOM 2680 CD2 HIS B 166 23.142 111.645 28.721 1.00 44.89 C +ATOM 2681 CE1 HIS B 166 21.111 111.981 27.965 1.00 45.91 C +ATOM 2682 NE2 HIS B 166 21.843 111.191 28.729 1.00 49.84 N +ATOM 2683 H HIS B 166 26.419 115.038 27.570 1.00 0.00 H +ATOM 2684 HA HIS B 166 23.668 115.611 28.158 1.00 0.00 H +ATOM 2685 HB3 HIS B 166 25.231 113.081 27.613 1.00 0.00 H +ATOM 2686 HB2 HIS B 166 24.211 113.931 26.532 1.00 0.00 H +ATOM 2687 HD1 HIS B 166 21.671 113.721 26.870 1.00 0.00 H +ATOM 2688 HD2 HIS B 166 24.053 111.279 29.171 1.00 0.00 H +ATOM 2689 HE1 HIS B 166 20.064 111.945 27.704 1.00 0.00 H +ATOM 2690 N LYS B 167 25.510 114.313 30.579 1.00 35.18 N +ATOM 2691 CA LYS B 167 25.532 114.021 32.031 1.00 38.83 C +ATOM 2692 C LYS B 167 25.334 115.261 32.908 1.00 42.12 C +ATOM 2693 O LYS B 167 24.885 115.135 34.046 1.00 49.79 O +ATOM 2694 CB LYS B 167 26.825 113.260 32.452 1.00 35.27 C +ATOM 2695 CG LYS B 167 26.856 111.790 31.903 1.00 39.72 C +ATOM 2696 CD LYS B 167 27.596 110.792 32.804 1.00 49.25 C +ATOM 2697 CE LYS B 167 29.034 110.853 32.556 1.00 50.12 C +ATOM 2698 NZ LYS B 167 29.913 109.999 33.513 1.00 47.13 N1+ +ATOM 2699 H LYS B 167 26.382 114.237 30.074 1.00 0.00 H +ATOM 2700 HA LYS B 167 24.693 113.354 32.232 1.00 0.00 H +ATOM 2701 HB3 LYS B 167 26.897 113.242 33.539 1.00 0.00 H +ATOM 2702 HB2 LYS B 167 27.699 113.801 32.089 1.00 0.00 H +ATOM 2703 HG3 LYS B 167 27.308 111.785 30.911 1.00 0.00 H +ATOM 2704 HG2 LYS B 167 25.835 111.443 31.742 1.00 0.00 H +ATOM 2705 HD3 LYS B 167 27.235 109.784 32.602 1.00 0.00 H +ATOM 2706 HD2 LYS B 167 27.397 111.030 33.849 1.00 0.00 H +ATOM 2707 HE3 LYS B 167 29.363 111.892 32.596 1.00 0.00 H +ATOM 2708 HE2 LYS B 167 29.234 110.560 31.525 1.00 0.00 H +ATOM 2709 HZ1 LYS B 167 30.886 110.106 33.263 1.00 0.00 H +ATOM 2710 HZ2 LYS B 167 29.774 110.308 34.464 1.00 0.00 H +ATOM 2711 HZ3 LYS B 167 29.651 109.027 33.434 1.00 0.00 H +ATOM 2712 N GLU B 168 25.758 116.399 32.373 1.00 45.90 N +ATOM 2713 CA GLU B 168 25.651 117.721 33.033 1.00 63.18 C +ATOM 2714 C GLU B 168 24.328 118.441 32.798 1.00 64.51 C +ATOM 2715 O GLU B 168 24.134 119.517 33.354 1.00 68.29 O +ATOM 2716 CB GLU B 168 26.791 118.655 32.568 1.00 58.44 C +ATOM 2717 CG GLU B 168 28.167 118.234 33.028 1.00 69.25 C +ATOM 2718 CD GLU B 168 29.297 118.904 32.227 1.00 80.85 C +ATOM 2719 OE1 GLU B 168 29.000 119.725 31.324 1.00 72.82 O +ATOM 2720 OE2 GLU B 168 30.497 118.594 32.487 1.00 74.65 O1- +ATOM 2721 H GLU B 168 26.186 116.398 31.458 1.00 0.00 H +ATOM 2722 HA GLU B 168 25.762 117.568 34.107 1.00 0.00 H +ATOM 2723 HB3 GLU B 168 26.590 119.669 32.912 1.00 0.00 H +ATOM 2724 HB2 GLU B 168 26.780 118.725 31.480 1.00 0.00 H +ATOM 2725 HG3 GLU B 168 28.260 117.151 32.948 1.00 0.00 H +ATOM 2726 HG2 GLU B 168 28.283 118.471 34.086 1.00 0.00 H +ATOM 2727 N LYS B 169 23.426 117.879 31.982 1.00 66.77 N +ATOM 2728 CA LYS B 169 22.031 118.357 31.869 1.00 76.82 C +ATOM 2729 C LYS B 169 21.154 117.561 32.849 1.00 94.74 C +ATOM 2730 O LYS B 169 19.919 117.564 32.762 1.00106.21 O +ATOM 2731 CB LYS B 169 21.503 118.247 30.430 1.00 76.82 C +ATOM 2732 CG LYS B 169 20.819 116.926 30.024 1.00 80.73 C +ATOM 2733 CD LYS B 169 20.377 116.863 28.548 1.00 76.56 C +ATOM 2734 CE LYS B 169 21.396 117.453 27.566 1.00 78.51 C +ATOM 2735 NZ LYS B 169 21.470 116.792 26.224 1.00 79.80 N1+ +ATOM 2736 H LYS B 169 23.687 117.091 31.407 1.00 0.00 H +ATOM 2737 HA LYS B 169 22.005 119.406 32.163 1.00 0.00 H +ATOM 2738 HXT LYS B 169 21.639 116.990 33.627 1.00 0.00 H +ATOM 2739 HB3 LYS B 169 22.315 118.458 29.734 1.00 0.00 H +ATOM 2740 HB2 LYS B 169 20.824 119.077 30.234 1.00 0.00 H +ATOM 2741 HG3 LYS B 169 19.956 116.754 30.667 1.00 0.00 H +ATOM 2742 HG2 LYS B 169 21.489 116.093 30.236 1.00 0.00 H +ATOM 2743 HD3 LYS B 169 19.424 117.380 28.434 1.00 0.00 H +ATOM 2744 HD2 LYS B 169 20.171 115.828 28.276 1.00 0.00 H +ATOM 2745 HE3 LYS B 169 22.384 117.446 28.026 1.00 0.00 H +ATOM 2746 HE2 LYS B 169 21.194 118.516 27.433 1.00 0.00 H +ATOM 2747 HZ1 LYS B 169 22.167 117.255 25.658 1.00 0.00 H +ATOM 2748 HZ2 LYS B 169 21.721 115.821 26.340 1.00 0.00 H +ATOM 2749 HZ3 LYS B 169 20.571 116.854 25.767 1.00 0.00 H +TER 2750 LYS B 169 +HETATM 2751 P1 GNP L 201 32.389 94.396 10.220 1.00 20.26 P +HETATM 2752 O1 GNP L 201 32.279 93.040 9.397 1.00 20.53 O +HETATM 2753 O2 GNP L 201 33.162 94.027 11.482 1.00 20.86 O +HETATM 2754 O3 GNP L 201 31.128 95.122 10.341 1.00 21.39 O +HETATM 2755 N1 GNP L 201 33.417 95.394 9.267 1.00 18.39 N +HETATM 2756 P2 GNP L 201 34.135 96.811 9.883 1.00 16.72 P +HETATM 2757 O4 GNP L 201 33.153 97.970 9.782 1.00 17.01 O +HETATM 2758 O5 GNP L 201 34.751 96.499 11.218 1.00 15.89 O +HETATM 2759 O6 GNP L 201 35.276 97.111 8.791 1.00 17.42 O +HETATM 2760 P3 GNP L 201 36.854 96.842 8.923 1.00 17.61 P +HETATM 2761 O7 GNP L 201 37.051 95.387 9.053 1.00 18.25 O +HETATM 2762 O8 GNP L 201 37.402 97.741 9.997 1.00 16.59 O +HETATM 2763 O9 GNP L 201 37.295 97.460 7.553 1.00 17.62 O +HETATM 2764 C1 GNP L 201 36.873 96.901 6.292 1.00 19.34 C +HETATM 2765 C2 GNP L 201 37.854 97.073 5.177 1.00 18.40 C +HETATM 2766 O10 GNP L 201 37.966 98.449 4.888 1.00 18.36 O +HETATM 2767 C3 GNP L 201 39.198 96.590 5.588 1.00 19.78 C +HETATM 2768 O11 GNP L 201 39.894 96.085 4.367 1.00 20.56 O +HETATM 2769 C4 GNP L 201 39.939 97.865 5.969 1.00 17.45 C +HETATM 2770 O12 GNP L 201 41.359 97.940 5.736 1.00 18.70 O +HETATM 2771 C5 GNP L 201 39.305 98.916 5.108 1.00 17.48 C +HETATM 2772 N2 GNP L 201 39.273 100.270 5.727 1.00 17.29 N +HETATM 2773 C6 GNP L 201 38.716 100.638 6.928 1.00 15.36 C +HETATM 2774 N3 GNP L 201 38.869 101.861 7.226 1.00 17.70 N +HETATM 2775 C7 GNP L 201 39.512 102.409 6.155 1.00 17.17 C +HETATM 2776 C8 GNP L 201 39.933 103.733 5.832 1.00 17.90 C +HETATM 2777 O13 GNP L 201 39.718 104.702 6.557 1.00 18.86 O +HETATM 2778 N4 GNP L 201 40.610 103.875 4.688 1.00 18.94 N +HETATM 2779 C9 GNP L 201 40.803 102.817 3.828 1.00 20.65 C +HETATM 2780 N5 GNP L 201 41.537 103.080 2.735 1.00 22.91 N +HETATM 2781 N6 GNP L 201 40.454 101.550 4.010 1.00 18.20 N +HETATM 2782 C10 GNP L 201 39.754 101.336 5.205 1.00 17.23 C +HETATM 2783 H1 GNP L 201 31.799 93.198 8.581 1.00 0.00 H +HETATM 2784 H2 GNP L 201 33.267 94.806 12.033 1.00 0.00 H +HETATM 2785 H3 GNP L 201 33.613 95.147 8.307 1.00 0.00 H +HETATM 2786 H4 GNP L 201 33.561 98.767 10.130 1.00 0.00 H +HETATM 2787 H5 GNP L 201 37.988 95.197 9.134 1.00 0.00 H +HETATM 2788 H6 GNP L 201 35.918 97.341 6.004 1.00 0.00 H +HETATM 2789 H7 GNP L 201 36.656 95.841 6.422 1.00 0.00 H +HETATM 2790 H8 GNP L 201 37.516 96.531 4.294 1.00 0.00 H +HETATM 2791 H9 GNP L 201 39.162 95.858 6.395 1.00 0.00 H +HETATM 2792 H10 GNP L 201 40.768 95.766 4.605 1.00 0.00 H +HETATM 2793 H11 GNP L 201 39.738 98.094 7.016 1.00 0.00 H +HETATM 2794 H12 GNP L 201 41.686 98.796 6.023 1.00 0.00 H +HETATM 2795 H13 GNP L 201 39.831 98.967 4.155 1.00 0.00 H +HETATM 2796 H14 GNP L 201 38.200 99.905 7.531 1.00 0.00 H +HETATM 2797 H15 GNP L 201 40.994 104.775 4.437 1.00 0.00 H +HETATM 2798 H16 GNP L 201 41.718 102.350 2.061 1.00 0.00 H +HETATM 2799 H17 GNP L 201 41.908 104.008 2.587 1.00 0.00 H +HETATM 2800 C1 9RK G 202 30.021 99.531 25.675 0.80 33.28 C +HETATM 2801 C2 9RK G 202 31.224 99.146 26.213 0.80 31.38 C +HETATM 2802 C3 9RK G 202 31.360 97.893 26.794 0.80 37.68 C +HETATM 2803 C4 9RK G 202 30.294 96.993 26.757 0.80 40.25 C +HETATM 2804 C5 9RK G 202 29.057 97.402 26.229 0.80 40.26 C +HETATM 2805 C6 9RK G 202 28.923 98.669 25.703 0.80 38.63 C +HETATM 2806 C7 9RK G 202 29.366 94.918 27.434 0.80 51.79 C +HETATM 2807 C8 9RK G 202 29.810 93.473 27.621 0.80 63.29 C +HETATM 2808 O1 9RK G 202 32.451 93.365 26.630 0.80 69.88 O +HETATM 2809 C9 9RK G 202 31.212 90.683 24.455 0.80 69.94 C +HETATM 2810 O2 9RK G 202 30.554 95.683 27.113 0.80 40.50 O +HETATM 2811 C10 9RK G 202 28.191 95.158 26.504 0.80 47.37 C +HETATM 2812 O3 9RK G 202 27.983 96.549 26.125 0.80 46.61 O +HETATM 2813 N1 9RK G 202 30.279 92.746 26.444 0.80 66.98 N +HETATM 2814 C11 9RK G 202 31.575 92.667 26.105 0.80 66.99 C +HETATM 2815 C12 9RK G 202 31.937 91.648 25.074 0.80 69.03 C +HETATM 2816 C13 9RK G 202 32.112 90.015 23.547 0.80 68.42 C +HETATM 2817 C14 9RK G 202 33.295 90.617 23.666 0.80 64.11 C +HETATM 2818 O4 9RK G 202 33.229 91.634 24.604 0.80 61.73 O +HETATM 2819 H1 9RK G 202 29.918 100.508 25.225 1.00 0.00 H +HETATM 2820 H2 9RK G 202 32.068 99.819 26.185 1.00 0.00 H +HETATM 2821 H3 9RK G 202 32.288 97.617 27.272 1.00 0.00 H +HETATM 2822 H4 9RK G 202 27.970 98.995 25.313 1.00 0.00 H +HETATM 2823 H5 9RK G 202 29.045 95.262 28.417 1.00 0.00 H +HETATM 2824 H6 9RK G 202 29.004 92.910 28.091 1.00 0.00 H +HETATM 2825 H7 9RK G 202 30.576 93.432 28.395 1.00 0.00 H +HETATM 2826 H8 9RK G 202 30.167 90.554 24.696 1.00 0.00 H +HETATM 2827 H9 9RK G 202 27.282 94.770 26.964 1.00 0.00 H +HETATM 2828 H10 9RK G 202 28.313 94.554 25.605 1.00 0.00 H +HETATM 2829 H11 9RK G 202 29.580 92.291 25.875 1.00 0.00 H +HETATM 2830 H12 9RK G 202 31.758 89.193 22.942 1.00 0.00 H +HETATM 2831 H13 9RK G 202 34.132 90.286 23.069 1.00 0.00 H +CONECT 5 9 +CONECT 843 831 844 850 +CONECT 844 843 845 847 851 +CONECT 845 844 846 852 853 +CONECT 846 845 849 +CONECT 847 844 848 855 +CONECT 847 848 +CONECT 848 847 +CONECT 848 847 +CONECT 849 846 854 +CONECT 1022 1025 +CONECT 2729 2738 +CONECT 2751 2752 2753 2754 2755 +CONECT 2751 2754 +CONECT 2752 2751 2783 +CONECT 2753 2751 2784 +CONECT 2754 2751 +CONECT 2754 2751 +CONECT 2755 2751 2756 2785 +CONECT 2756 2755 2757 2758 2759 +CONECT 2756 2758 +CONECT 2757 2756 2786 +CONECT 2758 2756 +CONECT 2758 2756 +CONECT 2759 2756 2760 +CONECT 2760 2759 2761 2762 2763 +CONECT 2760 2762 +CONECT 2761 2760 2787 +CONECT 2762 2760 +CONECT 2762 2760 +CONECT 2763 2760 2764 +CONECT 2764 2763 2765 2788 2789 +CONECT 2765 2764 2766 2767 2790 +CONECT 2766 2765 2771 +CONECT 2767 2765 2768 2769 2791 +CONECT 2768 2767 2792 +CONECT 2769 2767 2770 2771 2793 +CONECT 2770 2769 2794 +CONECT 2771 2766 2769 2772 2795 +CONECT 2772 2771 2773 2782 +CONECT 2773 2772 2774 2796 +CONECT 2773 2774 +CONECT 2774 2773 2775 +CONECT 2774 2773 +CONECT 2775 2774 2776 2782 +CONECT 2775 2782 +CONECT 2776 2775 2777 2778 +CONECT 2776 2777 +CONECT 2777 2776 +CONECT 2777 2776 +CONECT 2778 2776 2779 2797 +CONECT 2779 2778 2780 2781 +CONECT 2779 2781 +CONECT 2780 2779 2798 2799 +CONECT 2781 2779 2782 +CONECT 2781 2779 +CONECT 2782 2772 2775 2781 +CONECT 2782 2775 +CONECT 2800 2801 2805 2819 +CONECT 2800 2805 +CONECT 2801 2800 2802 2820 +CONECT 2801 2802 +CONECT 2802 2801 2803 2821 +CONECT 2802 2801 +CONECT 2803 2802 2804 2810 +CONECT 2803 2804 +CONECT 2804 2803 2805 2812 +CONECT 2804 2803 +CONECT 2805 2800 2804 2822 +CONECT 2805 2800 +CONECT 2806 2807 2810 2811 2823 +CONECT 2807 2806 2813 2824 2825 +CONECT 2808 2814 +CONECT 2808 2814 +CONECT 2809 2815 2816 2826 +CONECT 2809 2815 +CONECT 2810 2803 2806 +CONECT 2811 2806 2812 2827 2828 +CONECT 2812 2804 2811 +CONECT 2813 2807 2814 2829 +CONECT 2814 2808 2813 2815 +CONECT 2814 2808 +CONECT 2815 2809 2814 2818 +CONECT 2815 2809 +CONECT 2816 2809 2817 2830 +CONECT 2816 2817 +CONECT 2817 2816 2818 2831 +CONECT 2817 2816 +CONECT 2818 2815 2817 +CONECT 9 5 +CONECT 850 843 +CONECT 851 844 +CONECT 852 845 +CONECT 853 845 +CONECT 854 849 +CONECT 1025 1022 +CONECT 2738 2729 +CONECT 2783 2752 +CONECT 2784 2753 +CONECT 2785 2755 +CONECT 2786 2757 +CONECT 2787 2761 +CONECT 2788 2764 +CONECT 2789 2764 +CONECT 2790 2765 +CONECT 2791 2767 +CONECT 2792 2768 +CONECT 2793 2769 +CONECT 2794 2770 +CONECT 2795 2771 +CONECT 2796 2773 +CONECT 2797 2778 +CONECT 2798 2780 +CONECT 2799 2780 +CONECT 2819 2800 +CONECT 2820 2801 +CONECT 2821 2802 +CONECT 2822 2805 +CONECT 2823 2806 +CONECT 2824 2807 +CONECT 2825 2807 +CONECT 2826 2809 +CONECT 2827 2811 +CONECT 2828 2811 +CONECT 2829 2813 +CONECT 2830 2816 +CONECT 2831 2817 +END diff --git a/peleffy/data/ligands/BNZ.pdb b/peleffy/data/ligands/BNZ.pdb new file mode 100644 index 00000000..cc294cd2 --- /dev/null +++ b/peleffy/data/ligands/BNZ.pdb @@ -0,0 +1,29 @@ +TITLE BNZ +REMARK 4 COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +HETATM 1 C1 BNZ L 1 -32.969 6.196 2.877 1.00 15.06 C +HETATM 2 C2 BNZ L 1 -32.945 7.046 3.973 1.00 12.84 C +HETATM 3 C3 BNZ L 1 -33.719 6.798 5.113 1.00 12.24 C +HETATM 4 C4 BNZ L 1 -34.540 5.680 5.143 1.00 13.09 C +HETATM 5 C5 BNZ L 1 -34.545 4.825 4.044 1.00 12.54 C +HETATM 6 C6 BNZ L 1 -33.787 5.069 2.915 1.00 14.23 C +HETATM 7 H1 BNZ L 1 -32.360 6.413 2.012 1.00 0.00 H +HETATM 8 H2 BNZ L 1 -32.318 7.925 3.961 1.00 0.00 H +HETATM 9 H3 BNZ L 1 -33.672 7.473 5.955 1.00 0.00 H +HETATM 10 H4 BNZ L 1 -35.158 5.487 6.007 1.00 0.00 H +HETATM 11 H5 BNZ L 1 -35.156 3.935 4.055 1.00 0.00 H +HETATM 12 H6 BNZ L 1 -33.823 4.399 2.069 1.00 0.00 H +CONECT 1 2 6 7 +CONECT 2 1 3 8 +CONECT 3 2 4 9 +CONECT 4 3 5 10 +CONECT 5 4 6 11 +CONECT 6 1 5 12 +CONECT 7 1 +CONECT 8 2 +CONECT 9 3 +CONECT 10 4 +CONECT 11 5 +CONECT 12 6 +END diff --git a/peleffy/data/ligands/LIG1.pdb b/peleffy/data/ligands/LIG1.pdb new file mode 100644 index 00000000..c4cadd55 --- /dev/null +++ b/peleffy/data/ligands/LIG1.pdb @@ -0,0 +1,131 @@ +HEADER HYDROLASE 03-JUL-17 5OCO +TITLE DISCOVERY OF SMALL MOLECULES BINDING TO KRAS VIA HIGH +TITLE 2 AFFINITY ANTIBODY FRAGMENT COMPETITION METHOD. +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 1.66 ANGSTROMS +REMARK 3 R VALUE : 0.179000 +REMARK 3 FREE R VALUE : 0.205000 +REMARK 4 5OCO COMPLIES WITH FORMAT V. 3.30, +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 5.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, A, C, D, E, F +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +CRYST1 63.600 118.760 156.900 90.00 90.00 90.00 P 21 21 21 24 +HETATM 1 P1 GNP L 201 32.389 94.396 10.220 1.00 20.26 P +HETATM 2 O1 GNP L 201 32.279 93.040 9.397 1.00 20.53 O +HETATM 3 O2 GNP L 201 33.162 94.027 11.482 1.00 20.86 O +HETATM 4 O3 GNP L 201 31.128 95.122 10.341 1.00 21.39 O +HETATM 5 N1 GNP L 201 33.417 95.394 9.267 1.00 18.39 N +HETATM 6 P2 GNP L 201 34.135 96.811 9.883 1.00 16.72 P +HETATM 7 O4 GNP L 201 33.153 97.970 9.782 1.00 17.01 O +HETATM 8 O5 GNP L 201 34.751 96.499 11.218 1.00 15.89 O +HETATM 9 O6 GNP L 201 35.276 97.111 8.791 1.00 17.42 O +HETATM 10 P3 GNP L 201 36.854 96.842 8.923 1.00 17.61 P +HETATM 11 O7 GNP L 201 37.051 95.387 9.053 1.00 18.25 O +HETATM 12 O8 GNP L 201 37.402 97.741 9.997 1.00 16.59 O +HETATM 13 O9 GNP L 201 37.295 97.460 7.553 1.00 17.62 O +HETATM 14 C1 GNP L 201 36.873 96.901 6.292 1.00 19.34 C +HETATM 15 C2 GNP L 201 37.854 97.073 5.177 1.00 18.40 C +HETATM 16 O10 GNP L 201 37.966 98.449 4.888 1.00 18.36 O +HETATM 17 C3 GNP L 201 39.198 96.590 5.588 1.00 19.78 C +HETATM 18 O11 GNP L 201 39.894 96.085 4.367 1.00 20.56 O +HETATM 19 C4 GNP L 201 39.939 97.865 5.969 1.00 17.45 C +HETATM 20 O12 GNP L 201 41.359 97.940 5.736 1.00 18.70 O +HETATM 21 C5 GNP L 201 39.305 98.916 5.108 1.00 17.48 C +HETATM 22 N2 GNP L 201 39.273 100.270 5.727 1.00 17.29 N +HETATM 23 C6 GNP L 201 38.716 100.638 6.928 1.00 15.36 C +HETATM 24 N3 GNP L 201 38.869 101.861 7.226 1.00 17.70 N +HETATM 25 C7 GNP L 201 39.512 102.409 6.155 1.00 17.17 C +HETATM 26 C8 GNP L 201 39.933 103.733 5.832 1.00 17.90 C +HETATM 27 O13 GNP L 201 39.718 104.702 6.557 1.00 18.86 O +HETATM 28 N4 GNP L 201 40.610 103.875 4.688 1.00 18.94 N +HETATM 29 C9 GNP L 201 40.803 102.817 3.828 1.00 20.65 C +HETATM 30 N5 GNP L 201 41.537 103.080 2.735 1.00 22.91 N +HETATM 31 N6 GNP L 201 40.454 101.550 4.010 1.00 18.20 N +HETATM 32 C10 GNP L 201 39.754 101.336 5.205 1.00 17.23 C +HETATM 33 H1 GNP L 201 31.799 93.198 8.581 1.00 0.00 H +HETATM 34 H2 GNP L 201 33.267 94.806 12.033 1.00 0.00 H +HETATM 35 H3 GNP L 201 33.613 95.147 8.307 1.00 0.00 H +HETATM 36 H4 GNP L 201 33.561 98.767 10.130 1.00 0.00 H +HETATM 37 H5 GNP L 201 37.988 95.197 9.134 1.00 0.00 H +HETATM 38 H6 GNP L 201 35.918 97.341 6.004 1.00 0.00 H +HETATM 39 H7 GNP L 201 36.656 95.841 6.422 1.00 0.00 H +HETATM 40 H8 GNP L 201 37.516 96.531 4.294 1.00 0.00 H +HETATM 41 H9 GNP L 201 39.162 95.858 6.395 1.00 0.00 H +HETATM 42 H10 GNP L 201 40.768 95.766 4.605 1.00 0.00 H +HETATM 43 H11 GNP L 201 39.738 98.094 7.016 1.00 0.00 H +HETATM 44 H12 GNP L 201 41.686 98.796 6.023 1.00 0.00 H +HETATM 45 H13 GNP L 201 39.831 98.967 4.155 1.00 0.00 H +HETATM 46 H14 GNP L 201 38.200 99.905 7.531 1.00 0.00 H +HETATM 47 H15 GNP L 201 40.994 104.775 4.437 1.00 0.00 H +HETATM 48 H16 GNP L 201 41.718 102.350 2.061 1.00 0.00 H +HETATM 49 H17 GNP L 201 41.908 104.008 2.587 1.00 0.00 H +CONECT 1 2 3 4 5 +CONECT 1 4 +CONECT 2 1 33 +CONECT 3 1 34 +CONECT 4 1 +CONECT 4 1 +CONECT 5 1 6 35 +CONECT 6 5 7 8 9 +CONECT 6 8 +CONECT 7 6 36 +CONECT 8 6 +CONECT 8 6 +CONECT 9 6 10 +CONECT 10 9 11 12 13 +CONECT 10 12 +CONECT 11 10 37 +CONECT 12 10 +CONECT 12 10 +CONECT 13 10 14 +CONECT 14 13 15 38 39 +CONECT 15 14 16 17 40 +CONECT 16 15 21 +CONECT 17 15 18 19 41 +CONECT 18 17 42 +CONECT 19 17 20 21 43 +CONECT 20 19 44 +CONECT 21 16 19 22 45 +CONECT 22 21 23 32 +CONECT 23 22 24 46 +CONECT 23 24 +CONECT 24 23 25 +CONECT 24 23 +CONECT 25 24 26 32 +CONECT 25 32 +CONECT 26 25 27 28 +CONECT 26 27 +CONECT 27 26 +CONECT 27 26 +CONECT 28 26 29 47 +CONECT 29 28 30 31 +CONECT 29 31 +CONECT 30 29 48 49 +CONECT 31 29 32 +CONECT 31 29 +CONECT 32 22 25 31 +CONECT 32 25 +CONECT 33 2 +CONECT 34 3 +CONECT 35 5 +CONECT 36 7 +CONECT 37 11 +CONECT 38 14 +CONECT 39 14 +CONECT 40 15 +CONECT 41 17 +CONECT 42 18 +CONECT 43 19 +CONECT 44 20 +CONECT 45 21 +CONECT 46 23 +CONECT 47 28 +CONECT 48 30 +CONECT 49 30 +END diff --git a/peleffy/data/ligands/LIG2.pdb b/peleffy/data/ligands/LIG2.pdb new file mode 100644 index 00000000..021d2119 --- /dev/null +++ b/peleffy/data/ligands/LIG2.pdb @@ -0,0 +1,95 @@ +HEADER HYDROLASE 03-JUL-17 5OCO +TITLE DISCOVERY OF SMALL MOLECULES BINDING TO KRAS VIA HIGH +TITLE 2 AFFINITY ANTIBODY FRAGMENT COMPETITION METHOD. +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 1.66 ANGSTROMS +REMARK 3 R VALUE : 0.179000 +REMARK 3 FREE R VALUE : 0.205000 +REMARK 4 5OCO COMPLIES WITH FORMAT V. 3.30, +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 5.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, A, C, D, E, F +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +CRYST1 63.600 118.760 156.900 90.00 90.00 90.00 P 21 21 21 24 +HETATM 1 C1 9RK G 202 30.021 99.531 25.675 0.80 33.28 C +HETATM 2 C2 9RK G 202 31.224 99.146 26.213 0.80 31.38 C +HETATM 3 C3 9RK G 202 31.360 97.893 26.794 0.80 37.68 C +HETATM 4 C4 9RK G 202 30.294 96.993 26.757 0.80 40.25 C +HETATM 5 C5 9RK G 202 29.057 97.402 26.229 0.80 40.26 C +HETATM 6 C6 9RK G 202 28.923 98.669 25.703 0.80 38.63 C +HETATM 7 C7 9RK G 202 29.366 94.918 27.434 0.80 51.79 C +HETATM 8 C8 9RK G 202 29.810 93.473 27.621 0.80 63.29 C +HETATM 9 O1 9RK G 202 32.451 93.365 26.630 0.80 69.88 O +HETATM 10 C9 9RK G 202 31.212 90.683 24.455 0.80 69.94 C +HETATM 11 O2 9RK G 202 30.554 95.683 27.113 0.80 40.50 O +HETATM 12 C10 9RK G 202 28.191 95.158 26.504 0.80 47.37 C +HETATM 13 O3 9RK G 202 27.983 96.549 26.125 0.80 46.61 O +HETATM 14 N1 9RK G 202 30.279 92.746 26.444 0.80 66.98 N +HETATM 15 C11 9RK G 202 31.575 92.667 26.105 0.80 66.99 C +HETATM 16 C12 9RK G 202 31.937 91.648 25.074 0.80 69.03 C +HETATM 17 C13 9RK G 202 32.112 90.015 23.547 0.80 68.42 C +HETATM 18 C14 9RK G 202 33.295 90.617 23.666 0.80 64.11 C +HETATM 19 O4 9RK G 202 33.229 91.634 24.604 0.80 61.73 O +HETATM 20 H1 9RK G 202 29.918 100.508 25.225 1.00 0.00 H +HETATM 21 H2 9RK G 202 32.068 99.819 26.185 1.00 0.00 H +HETATM 22 H3 9RK G 202 32.288 97.617 27.272 1.00 0.00 H +HETATM 23 H4 9RK G 202 27.970 98.995 25.313 1.00 0.00 H +HETATM 24 H5 9RK G 202 29.045 95.262 28.417 1.00 0.00 H +HETATM 25 H6 9RK G 202 29.004 92.910 28.091 1.00 0.00 H +HETATM 26 H7 9RK G 202 30.576 93.432 28.395 1.00 0.00 H +HETATM 27 H8 9RK G 202 30.167 90.554 24.696 1.00 0.00 H +HETATM 28 H9 9RK G 202 27.282 94.770 26.964 1.00 0.00 H +HETATM 29 H10 9RK G 202 28.313 94.554 25.605 1.00 0.00 H +HETATM 30 H11 9RK G 202 29.580 92.291 25.875 1.00 0.00 H +HETATM 31 H12 9RK G 202 31.758 89.193 22.942 1.00 0.00 H +HETATM 32 H13 9RK G 202 34.132 90.286 23.069 1.00 0.00 H +CONECT 1 2 6 20 +CONECT 1 6 +CONECT 2 1 3 21 +CONECT 2 3 +CONECT 3 2 4 22 +CONECT 3 2 +CONECT 4 3 5 11 +CONECT 4 5 +CONECT 5 4 6 13 +CONECT 5 4 +CONECT 6 1 5 23 +CONECT 6 1 +CONECT 7 8 11 12 24 +CONECT 8 7 14 25 26 +CONECT 9 15 +CONECT 9 15 +CONECT 10 16 17 27 +CONECT 10 16 +CONECT 11 4 7 +CONECT 12 7 13 28 29 +CONECT 13 5 12 +CONECT 14 8 15 30 +CONECT 15 9 14 16 +CONECT 15 9 +CONECT 16 10 15 19 +CONECT 16 10 +CONECT 17 10 18 31 +CONECT 17 18 +CONECT 18 17 19 32 +CONECT 18 17 +CONECT 19 16 18 +CONECT 20 1 +CONECT 21 2 +CONECT 22 3 +CONECT 23 6 +CONECT 24 7 +CONECT 25 8 +CONECT 26 8 +CONECT 27 10 +CONECT 28 12 +CONECT 29 12 +CONECT 30 14 +CONECT 31 17 +CONECT 32 18 +END diff --git a/peleffy/tests/test_main.py b/peleffy/tests/test_main.py index b6e2e57f..126aac0f 100644 --- a/peleffy/tests/test_main.py +++ b/peleffy/tests/test_main.py @@ -223,6 +223,33 @@ def test_peleffy_argparse(self): assert parsed_args.with_solvent is False, \ 'Unexpected with_solvent settings were parsed' + # Test chain argument + parsed_args = parse_args(['LYS_BNZ.pdb', + '--chain', 'L']) + + assert parsed_args.as_datalocal is False, \ + 'Unexpected as_datalocal settings were parsed' + assert parsed_args.charge_method == 'am1bcc', \ + 'Unexpected charge_method settings were parsed' + assert parsed_args.debug is False, \ + 'Unexpected debug settings were parsed' + assert parsed_args.forcefield == 'openff_unconstrained-1.3.0.offxml', \ + 'Unexpected forcefield settings were parsed' + assert parsed_args.include_terminal_rotamers is False, \ + 'Unexpected include_terminal_rotamers settings were parsed' + assert parsed_args.output is None, \ + 'Unexpected output settings were parsed' + assert parsed_args.pdb_file == 'LYS_BNZ.pdb', \ + 'Unexpected pdb_file settings were parsed' + assert parsed_args.resolution == 30, \ + 'Unexpected resolution settings were parsed' + assert parsed_args.silent is False, \ + 'Unexpected silent settings were parsed' + assert parsed_args.with_solvent is False, \ + 'Unexpected with_solvent settings were parsed' + assert parsed_args.chain is 'L',\ + 'Unexpected chain settings were parsed' + # Test silent argument parsed_args = parse_args(['methane.pdb', '-s']) diff --git a/peleffy/tests/test_utils.py b/peleffy/tests/test_utils.py index ab4af8ec..b098b141 100644 --- a/peleffy/tests/test_utils.py +++ b/peleffy/tests/test_utils.py @@ -490,10 +490,12 @@ def test_folder_creation(self): assert os.path.isdir(path_dir) is True, \ 'This directory should exist' + class TestMAEParser(object): """ It contains all the tests to validate functions that parse MAE files. """ + def test_parse_charges_from_mae(self): """ It tests the MAE parser for assigning partial charges from an external @@ -506,78 +508,78 @@ def test_parse_charges_from_mae(self): FORCEFIELD = 'openff_unconstrained-1.2.0.offxml' PATH_MAE_MAT = get_data_file_path('tests/MAT.mae') - PATH_PDB_MAT= get_data_file_path('tests/MAT.pdb') + PATH_PDB_MAT = get_data_file_path('tests/MAT.pdb') PATH_MAE_BHP = get_data_file_path('ligands/BHP.mae') PATH_PDB_BHP = get_data_file_path('ligands/BHP.pdb') PATH_MAE_ETL = get_data_file_path('ligands/ethylene.mae') PATH_PDB_ETL = get_data_file_path('ligands/ethylene.pdb') PATH_PDB_MAL = get_data_file_path('ligands/malonate.pdb') - CHARGES_REFERENCE_BHP = [[-0.35703, 'O1'], - [-0.59535, 'O2'], - [-0.50292, 'O3'], - [-0.25243, 'C1'], - [0.30438 , 'C2'], - [0.22092 , 'C3'], - [0.54336 , 'C4'], - [-0.20569, 'C5'], - [-0.20192 , 'C6'], - [0.16631 , 'C7'], - [0.02422 , 'C8'], - [-0.09115, 'C9'], - [-0.09904, 'C10'], - [-0.15673, 'C11'], - [-0.13245, 'C12'], - [-0.17806 , 'C13'], - [-0.12489, 'C14'], - [-0.09307 , 'C15'], - [-0.08973, 'C16'], - [0.05397 , 'H1'], - [0.07338 , 'H2'], - [0.04514 , 'H3'], - [0.12979 , 'H4'], - [0.11025 , 'H5'], - [0.04054 , 'H6'], - [0.04581 , 'H7'], - [0.11444 , 'H8'], - [0.11761 , 'H9'], - [0.37274 , 'H10'], - [0.11825 , 'H11'], - [0.12584 , 'H12'], - [0.1381 , 'H13'], - [0.11696 , 'H14'], - [0.11148 , 'H15'], - [0.10697 , 'H16']] - - CHARGES_REFERENCE_MAT = [[-0.18938 , 'F1' ], - [-0.21715 , 'F2'], - [-0.21234 , 'F3'], - [-0.39736 , 'O1'], - [-0.58890 , 'O2'], - [-1.00825 , 'N1'], - [0.72066 , 'C1'], - [-0.06281 , 'C2'], - [-0.67474 , 'C3'], - [0.10391 , 'C4'], - [0.16293 , 'C5'], - [-0.61076 , 'C6'], - [0.78183 , 'C7'], - [0.27041 , 'C8'], - [-0.48769 , 'C9'], - [0.15704 , 'C10'], - [-0.02646 , 'H1'], - [-0.08394 , 'H2'], - [-0.01308 , 'H3'], - [0.14006 , 'H4'], - [0.12960 , 'H5'], - [0.31245 , 'H6'], - [0.30268 , 'H7'], - [0.17026 , 'H8'], - [0.15782 , 'H9'], - [0.03175 , 'C11'], - [0.03894 , 'H10'], - [0.07509 , 'H11'], - [0.01743 , 'H12']] + CHARGES_REFERENCE_BHP = [[-0.35703, 'O1'], + [-0.59535, 'O2'], + [-0.50292, 'O3'], + [-0.25243, 'C1'], + [0.30438, 'C2'], + [0.22092, 'C3'], + [0.54336, 'C4'], + [-0.20569, 'C5'], + [-0.20192, 'C6'], + [0.16631, 'C7'], + [0.02422, 'C8'], + [-0.09115, 'C9'], + [-0.09904, 'C10'], + [-0.15673, 'C11'], + [-0.13245, 'C12'], + [-0.17806, 'C13'], + [-0.12489, 'C14'], + [-0.09307, 'C15'], + [-0.08973, 'C16'], + [0.05397, 'H1'], + [0.07338, 'H2'], + [0.04514, 'H3'], + [0.12979, 'H4'], + [0.11025, 'H5'], + [0.04054, 'H6'], + [0.04581, 'H7'], + [0.11444, 'H8'], + [0.11761, 'H9'], + [0.37274, 'H10'], + [0.11825, 'H11'], + [0.12584, 'H12'], + [0.1381, 'H13'], + [0.11696, 'H14'], + [0.11148, 'H15'], + [0.10697, 'H16']] + + CHARGES_REFERENCE_MAT = [[-0.18938, 'F1'], + [-0.21715, 'F2'], + [-0.21234, 'F3'], + [-0.39736, 'O1'], + [-0.58890, 'O2'], + [-1.00825, 'N1'], + [0.72066, 'C1'], + [-0.06281, 'C2'], + [-0.67474, 'C3'], + [0.10391, 'C4'], + [0.16293, 'C5'], + [-0.61076, 'C6'], + [0.78183, 'C7'], + [0.27041, 'C8'], + [-0.48769, 'C9'], + [0.15704, 'C10'], + [-0.02646, 'H1'], + [-0.08394, 'H2'], + [-0.01308, 'H3'], + [0.14006, 'H4'], + [0.12960, 'H5'], + [0.31245, 'H6'], + [0.30268, 'H7'], + [0.17026, 'H8'], + [0.15782, 'H9'], + [0.03175, 'C11'], + [0.03894, 'H10'], + [0.07509, 'H11'], + [0.01743, 'H12']] # Check up correct charges for malonate m = Molecule(PATH_PDB_MAT) @@ -588,11 +590,11 @@ def test_parse_charges_from_mae(self): for charge, atom_name in zip(parameters['charges'], parameters['atom_names']): assert [charge._value, atom_name.replace('_', '')] in \ - CHARGES_REFERENCE_MAT, \ - 'Incorrect charge value for {}.'.format(atom_name) + CHARGES_REFERENCE_MAT, \ + 'Incorrect charge value for {}.'.format(atom_name) # Check up correct charges for BHP - m = Molecule (PATH_PDB_BHP) + m = Molecule(PATH_PDB_BHP) openff = OpenForceField(FORCEFIELD) parameters = openff.parameterize(m, charge_method='dummy') parameters = parse_charges_from_mae(PATH_MAE_BHP, parameters) @@ -600,8 +602,8 @@ def test_parse_charges_from_mae(self): for charge, atom_name in zip(parameters['charges'], parameters['atom_names']): assert [charge._value, atom_name.replace('_', '')] in \ - CHARGES_REFERENCE_BHP, \ - 'Incorrect charge value for {}.'.format(atom_name) + CHARGES_REFERENCE_BHP, \ + 'Incorrect charge value for {}.'.format(atom_name) # Error: MAE file without charges information m = Molecule(PATH_PDB_ETL) @@ -617,19 +619,148 @@ def test_parse_charges_from_mae(self): with pytest.raises(ValueError): _ = parse_charges_from_mae(PATH_PDB_BHP, parameters) + class TestPDB(object): """ It contains all the tests to validate the PDB class. """ def test_get_molecule_from_chain(self): """ - TO DO + It tests the method that returns a molecule from a selected chain from + an input PDB file. """ - pass + def compare_molecules(mol1, mol2): + """ + It compares that two molecules contain the same PDB atom names and + that have been initialized with the same flags. + + Parameters + ---------- + mol1 : a peleffy.topology.Molecule object + Molecule. + mol2 : a peleffy.topology.Molecule object + Reference molecule. + + Returns + ------- + are_equal : bool + Wheter the molecules are equal or not. + """ + if mol1._rotamer_resolution == mol2._rotamer_resolution \ + and mol1._exclude_terminal_rotamers == \ + mol2._exclude_terminal_rotamers\ + and mol1._allow_undefined_stereo == \ + mol2._allow_undefined_stereo\ + and mol1.get_pdb_atom_names() == \ + mol2.get_pdb_atom_names(): + return True + else: + return False + + from peleffy.utils.input import PDB + from peleffy.utils import get_data_file_path + from peleffy.topology import Molecule + + PATH_COMPLEX_PDB = get_data_file_path('complexes/LYS_BNZ.pdb') + PATH_LIGAND_PDB = get_data_file_path('ligands/BNZ.pdb') + + # Test method get_molecule_from_chain + PDBreader = PDB(PATH_COMPLEX_PDB) + molecule = PDBreader.get_molecule_from_chain(selected_chain='L') + + assert compare_molecules(molecule, Molecule(PATH_LIGAND_PDB)) is True + + # Test allow_undefined_stereo flag + PDBreader = PDB(PATH_COMPLEX_PDB) + molecule = \ + PDBreader.get_molecule_from_chain(selected_chain='L', + allow_undefined_stereo=True) + + assert compare_molecules(molecule, + Molecule(PATH_LIGAND_PDB, + allow_undefined_stereo=True)) is True + + # Test exclude_terminal_rotamers flag + PDBreader = PDB(PATH_COMPLEX_PDB) + molecule = \ + PDBreader.get_molecule_from_chain(selected_chain='L', + exclude_terminal_rotamers=False) + + assert compare_molecules(molecule, Molecule( + PATH_LIGAND_PDB, exclude_terminal_rotamers=False)) is True + + # Test rotamer_resolution frag + PDBreader = PDB(PATH_COMPLEX_PDB) + molecule = PDBreader.get_molecule_from_chain(selected_chain='L', + rotamer_resolution=10) + + assert compare_molecules(molecule, Molecule( + PATH_LIGAND_PDB, rotamer_resolution=10)) is True def test_get_hetero_molecules(self): """ - TO DO + It tests the method that returns a list with all the hetero molecules in + an input PDB. + """ + def compare_molecules(mol1, mol2): + """ + It compares that two molecules contain the same PDB atom names and + that have been initialized with the same flags. + + Parameters + ---------- + mol1 : a peleffy.topology.Molecule object + Molecule. + mol2 : a peleffy.topology.Molecule object + Reference molecule. + + Returns + ------- + are_equal : bool + Wheter the molecules are equal or not. + """ + if mol1._rotamer_resolution == mol2._rotamer_resolution \ + and mol1._exclude_terminal_rotamers == \ + mol2._exclude_terminal_rotamers\ + and mol1._allow_undefined_stereo == \ + mol2._allow_undefined_stereo\ + and mol1.get_pdb_atom_names() == \ + mol2.get_pdb_atom_names(): + return True + else: + return False + + from peleffy.utils.input import PDB + from peleffy.utils import get_data_file_path + from peleffy.topology import Molecule + + PATH_COMPLEX_PDB = get_data_file_path('complexes/LIG1_LIG2.pdb') + PATH_LIGAND1 = get_data_file_path('ligands/LIG1.pdb') + PATH_LIGAND2 = get_data_file_path('ligands/LIG2.pdb') + + PDBreader = PDB(PATH_COMPLEX_PDB) + molecules = PDBreader.get_hetero_molecules() + + for molecule in molecules: + for molecule_ref in [Molecule(PATH_LIGAND1),Molecule(PATH_LIGAND2)]: + if molecule._tag == molecule_ref.tag: + assert compare_molecules(molecule, molecule_ref) + + def test_raise_errors(self): + """ + It tests all the possible errors when geting a molecule from a chain. """ - pass + from peleffy.utils.input import PDB + from peleffy.utils import get_data_file_path + + PATH_COMPLEX_PDB = get_data_file_path('complexes/LYS_BNZ.pdb') + # The chain selected does not exist in the PDB file + with pytest.raises(ValueError): + PDBreader = PDB(PATH_COMPLEX_PDB) + _ = PDBreader.get_molecule_from_chain(selected_chain='F') + + # The chain selected is not an hetero molecule + with pytest.raises(ValueError): + PDBreader = PDB(PATH_COMPLEX_PDB) + _ = PDBreader.get_molecule_from_chain(selected_chain='A') diff --git a/peleffy/utils/input.py b/peleffy/utils/input.py index 1e2a18f3..0d584926 100644 --- a/peleffy/utils/input.py +++ b/peleffy/utils/input.py @@ -69,6 +69,8 @@ def extract_molecule_from_chain(self, chain, rotamer_resolution, residue = set([line[17:20].strip() for line in self.pdb_content if line.startswith('HETATM') and line[21:22] == chain]) + + # Check that the chain only contains one non-standard residue if len(residue) > 1: raise ValueError('The selected chain {}'.format(chain) + ' has more than one residue. Each hetero' + From 31a682aa1949cf53f3d1ef1cf8840b301b0acc65 Mon Sep 17 00:00:00 2001 From: Laura Malo <44496034+laumalo@users.noreply.github.com> Date: Wed, 14 Apr 2021 22:28:19 +0200 Subject: [PATCH 08/16] Fix minor error tests --- peleffy/tests/test_main.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/peleffy/tests/test_main.py b/peleffy/tests/test_main.py index 126aac0f..7cbd7bd9 100644 --- a/peleffy/tests/test_main.py +++ b/peleffy/tests/test_main.py @@ -247,7 +247,7 @@ def test_peleffy_argparse(self): 'Unexpected silent settings were parsed' assert parsed_args.with_solvent is False, \ 'Unexpected with_solvent settings were parsed' - assert parsed_args.chain is 'L',\ + assert parsed_args.chain == 'L',\ 'Unexpected chain settings were parsed' # Test silent argument From f26d59431b610fd439e8a499a2fa027e47cba071 Mon Sep 17 00:00:00 2001 From: Laura Malo <44496034+laumalo@users.noreply.github.com> Date: Thu, 15 Apr 2021 09:16:16 +0200 Subject: [PATCH 09/16] Update releasehistory.rst --- docs/releasehistory.rst | 11 +++++++++++ 1 file changed, 11 insertions(+) diff --git a/docs/releasehistory.rst b/docs/releasehistory.rst index 5469a7d4..011c0036 100644 --- a/docs/releasehistory.rst +++ b/docs/releasehistory.rst @@ -7,6 +7,17 @@ Releases follow the ``major.minor.micro`` scheme recommended by `PEP440 `_: New PDB class that allows to handle an input PDB file with multiple molecules. + +Tests added +""""""""""" +- `PR #137 `_: Adds tests to validate the new PDB class that allows to handle an input PDB file with multiple molecules. + 1.2.1 - API Documentation and improvements ------------------------------------------ From de6a75f878e44df80825cfe0e497c48d804fed43 Mon Sep 17 00:00:00 2001 From: Laura Malo <44496034+laumalo@users.noreply.github.com> Date: Thu, 15 Apr 2021 09:21:54 +0200 Subject: [PATCH 10/16] Update usage.rst --- docs/usage.rst | 13 +++++++++++++ 1 file changed, 13 insertions(+) diff --git a/docs/usage.rst b/docs/usage.rst index 51141c4b..c4639bf3 100644 --- a/docs/usage.rst +++ b/docs/usage.rst @@ -104,6 +104,7 @@ arguments. To obtain the full list of flags you can type: The name of the method to use to compute charges --charges_from_file PATH The path to the file with charges + --chain CHAIN Chain of the molecule to parameterize --include_terminal_rotamers Not exclude terminal rotamers when building the rotamer library @@ -221,6 +222,18 @@ It sets the method to load external partial charges. $ python -m peleffy.main path/to/my_ligand.pdb --charges_from_file path/to/my_ligand.mae +Chain +----- +It defines the chain of the molecule to parameterize from the input PDB file. + +- Flag: ``--chain`` +- Default: ``None`` +- Example: the code below will parameterize the hetero molecule in the chain L of the input file + + .. code-block:: bash + + $ python -m peleffy.main path/to/my_system.pdb --chain L + Include terminal rotamers ------------------------- It always includes terminal rotamers, even if they belong to a terminal methyl group whose rotation is trivial in PELE. From aa802518f59d9aeb2b75847270d1bd3a05efb8f2 Mon Sep 17 00:00:00 2001 From: Laura Malo <44496034+laumalo@users.noreply.github.com> Date: Thu, 15 Apr 2021 12:30:45 +0200 Subject: [PATCH 11/16] Allow multiple molecules same chain --- peleffy/utils/input.py | 64 ++++++++++++++++++++++++++---------------- 1 file changed, 40 insertions(+), 24 deletions(-) diff --git a/peleffy/utils/input.py b/peleffy/utils/input.py index 0d584926..0dbb6bac 100644 --- a/peleffy/utils/input.py +++ b/peleffy/utils/input.py @@ -2,6 +2,7 @@ This module contains a set of classes and methods designed to handle input data. """ +from peleffy.utils import Logger class PDB(object): @@ -67,28 +68,41 @@ def extract_molecule_from_chain(self, chain, rotamer_resolution, """ from peleffy.topology.molecule import Molecule - residue = set([line[17:20].strip() for line in self.pdb_content - if line.startswith('HETATM') and line[21:22] == chain]) - - # Check that the chain only contains one non-standard residue - if len(residue) > 1: - raise ValueError('The selected chain {}'.format(chain) + - ' has more than one residue. Each hetero' + - ' molecule has to be in a different chain.') - - # Select which atoms compose this molecule - atom_ids = [line[6:11].strip() for line in self.pdb_content - if line.startswith('HETATM') and line[21:22] == chain] - - # Extract the PDB block of the molecule - pdb_block = [line for line in self.pdb_content - if (line.startswith('HETATM') or line.startswith('CONECT')) - and any(' {} '.format(a) in line for a in atom_ids)] + # Check if there is more than one hetero molecule in the same chain + residues_ids = set([line[22:26].strip() for line in self.pdb_content + if line.startswith('HETATM') and line[21:22] == chain + and not line[17:20].strip() == 'HOH']) + + molecules = [] + for residue_id in residues_ids: + res_name = set([line[17:20].strip() for line in self.pdb_content + if line.startswith('HETATM') + and line[21:22] == chain + and line[22:26].strip() == residue_id]) + + # Select which atoms compose this hetero molecule + atom_ids = [line[6:11].strip() for line in self.pdb_content + if line.startswith('HETATM') + and line[21:22] == chain + and line[22:26].strip() == residue_id] + + # Extract the PDB block of the molecule + pdb_block = [line for line in self.pdb_content + if (line.startswith('HETATM') or + line.startswith('CONECT')) + and any(' {} '.format(a) in line for a in atom_ids)] + + try: + molecules.append(Molecule(pdb_block=''.join(pdb_block), + rotamer_resolution=rotamer_resolution, + exclude_terminal_rotamers=exclude_terminal_rotamers, + allow_undefined_stereo=allow_undefined_stereo)) + except: + log = Logger() + log.warning(' - Skipping {} from chain {}.' + .format(list(res_name)[0],chain)) - return Molecule(pdb_block=''.join(pdb_block), - rotamer_resolution=rotamer_resolution, - exclude_terminal_rotamers=exclude_terminal_rotamers, - allow_undefined_stereo=allow_undefined_stereo) + return molecules def get_hetero_molecules(self, rotamer_resolution=30, exclude_terminal_rotamers=True, @@ -122,8 +136,7 @@ def get_hetero_molecules(self, rotamer_resolution=30, exclude_terminal_rotamers=exclude_terminal_rotamers, allow_undefined_stereo=allow_undefined_stereo) for chain_id in chain_ids] - - return molecules + return sum(molecules, []) def get_molecule_from_chain(self, selected_chain, rotamer_resolution=30, exclude_terminal_rotamers=True, @@ -168,7 +181,10 @@ def get_molecule_from_chain(self, selected_chain, rotamer_resolution=30, raise ValueError('The selected chain {}'.format(selected_chain) + ' is not a hetero molecule. Peleffy' + ' is only compatible with hetero atoms.') - return self.extract_molecule_from_chain(chain=selected_chain, + molecules = self.extract_molecule_from_chain(chain=selected_chain, rotamer_resolution=rotamer_resolution, exclude_terminal_rotamers=exclude_terminal_rotamers, allow_undefined_stereo=allow_undefined_stereo) + + return molecules[0] if len(molecules) == 1 else molecules + From e69cc6494256aa54c2dacead06155ba6b8a681a1 Mon Sep 17 00:00:00 2001 From: Laura Malo <44496034+laumalo@users.noreply.github.com> Date: Thu, 15 Apr 2021 12:45:16 +0200 Subject: [PATCH 12/16] Fix alert LGTM --- peleffy/utils/input.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/peleffy/utils/input.py b/peleffy/utils/input.py index 0dbb6bac..6e65cb70 100644 --- a/peleffy/utils/input.py +++ b/peleffy/utils/input.py @@ -97,7 +97,7 @@ def extract_molecule_from_chain(self, chain, rotamer_resolution, rotamer_resolution=rotamer_resolution, exclude_terminal_rotamers=exclude_terminal_rotamers, allow_undefined_stereo=allow_undefined_stereo)) - except: + except Exception: log = Logger() log.warning(' - Skipping {} from chain {}.' .format(list(res_name)[0],chain)) From 5bf8718d6e62b0aaa9ccfb87b8c8265a30a4dc13 Mon Sep 17 00:00:00 2001 From: Laura Malo <44496034+laumalo@users.noreply.github.com> Date: Fri, 16 Apr 2021 10:05:29 +0200 Subject: [PATCH 13/16] Fix strip spaces output path --- peleffy/utils/output.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/peleffy/utils/output.py b/peleffy/utils/output.py index 2359f158..4109c8ed 100644 --- a/peleffy/utils/output.py +++ b/peleffy/utils/output.py @@ -102,7 +102,7 @@ def get_impact_template_path(self, create_missing_folders=True): file_path : str The path for an Impact template file """ - file_name = self._molecule.tag.lower() + 'z' + file_name = self._molecule.tag.lower().strip() + 'z' if self.as_datalocal: if self.forcefield.type == 'OpenFF': @@ -140,7 +140,7 @@ def get_rotamer_library_path(self, create_missing_folders=True): file_path : str The path for a rotamer library file """ - file_name = self._molecule.tag.upper() + '.rot.assign' + file_name = self._molecule.tag.upper().strip() + '.rot.assign' if self.as_datalocal: path = os.path.join(self.output_path, self.ROTAMER_LIBRARY_PATH) From d6c9c26534606e5e699e5a8e57018a1987a35eb5 Mon Sep 17 00:00:00 2001 From: Laura Malo <44496034+laumalo@users.noreply.github.com> Date: Mon, 19 Apr 2021 13:58:52 +0200 Subject: [PATCH 14/16] Update usage.rst --- docs/usage.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/usage.rst b/docs/usage.rst index c4639bf3..954944d6 100644 --- a/docs/usage.rst +++ b/docs/usage.rst @@ -224,7 +224,7 @@ It sets the method to load external partial charges. Chain ----- -It defines the chain of the molecule to parameterize from the input PDB file. +It defines the chain of the molecule to parameterize from the input PDB file. This flag has to be used if the input PDB file contains multiple chains, if no chain is supplied a PDB with a single chain is expected. - Flag: ``--chain`` - Default: ``None`` From 500b274102c6308fd0ed545c464d8f74117f9ccd Mon Sep 17 00:00:00 2001 From: Laura Malo <44496034+laumalo@users.noreply.github.com> Date: Mon, 19 Apr 2021 15:24:38 +0200 Subject: [PATCH 15/16] Supprt ligand core constraints + minor changes --- peleffy/data/complexes/complex_test.pdb | 7241 +++++++++++++++++++++++ peleffy/main.py | 12 +- peleffy/tests/test_utils.py | 54 +- peleffy/utils/input.py | 118 +- 4 files changed, 7364 insertions(+), 61 deletions(-) create mode 100644 peleffy/data/complexes/complex_test.pdb diff --git a/peleffy/data/complexes/complex_test.pdb b/peleffy/data/complexes/complex_test.pdb new file mode 100644 index 00000000..4f9c31de --- /dev/null +++ b/peleffy/data/complexes/complex_test.pdb @@ -0,0 +1,7241 @@ +MODEL 1 +ATOM 1 N SER A 1 -29.709 -43.993 -24.804 1.00 70.57 N1+ +ATOM 2 CA SER A 1 -29.195 -45.359 -24.690 1.00 67.51 C +ATOM 3 C SER A 1 -30.234 -46.297 -24.054 1.00 52.76 C +ATOM 4 O SER A 1 -31.338 -45.884 -23.737 1.00 52.42 O +ATOM 5 CB SER A 1 -27.893 -45.366 -23.884 1.00 71.81 C +ATOM 6 OG SER A 1 -28.065 -44.701 -22.643 1.00 78.81 O +ATOM 7 H1 SER A 1 -30.567 -43.999 -25.337 1.00 0.00 H +ATOM 8 H2 SER A 1 -29.888 -43.622 -23.882 1.00 0.00 H +ATOM 9 H3 SER A 1 -29.027 -43.414 -25.272 1.00 0.00 H +ATOM 10 HA SER A 1 -28.976 -45.725 -25.693 1.00 0.00 H +ATOM 11 HB3 SER A 1 -27.109 -44.870 -24.456 1.00 0.00 H +ATOM 12 HB2 SER A 1 -27.583 -46.395 -23.704 1.00 0.00 H +ATOM 13 HG SER A 1 -28.974 -44.798 -22.350 1.00 0.00 H +ATOM 14 N ILE A 2 -29.895 -47.570 -23.884 1.00 45.36 N +ATOM 15 CA ILE A 2 -30.842 -48.527 -23.332 1.00 49.06 C +ATOM 16 C ILE A 2 -30.208 -49.236 -22.142 1.00 49.90 C +ATOM 17 O ILE A 2 -28.997 -49.179 -21.923 1.00 51.58 O +ATOM 18 CB ILE A 2 -31.302 -49.544 -24.393 1.00 47.66 C +ATOM 19 CG1 ILE A 2 -30.134 -50.457 -24.779 1.00 48.22 C +ATOM 20 CD1 ILE A 2 -30.306 -51.136 -26.113 1.00 57.91 C +ATOM 21 CG2 ILE A 2 -31.824 -48.819 -25.627 1.00 40.36 C +ATOM 22 H ILE A 2 -28.970 -47.885 -24.139 1.00 0.00 H +ATOM 23 HA ILE A 2 -31.716 -47.980 -22.979 1.00 0.00 H +ATOM 24 HB ILE A 2 -32.104 -50.153 -23.975 1.00 0.00 H +ATOM 25 HG13 ILE A 2 -29.994 -51.211 -24.005 1.00 0.00 H +ATOM 26 HG12 ILE A 2 -29.210 -49.879 -24.784 1.00 0.00 H +ATOM 27 HD11 ILE A 2 -29.439 -51.765 -26.316 1.00 0.00 H +ATOM 28 HD12 ILE A 2 -31.205 -51.752 -26.094 1.00 0.00 H +ATOM 29 HD13 ILE A 2 -30.399 -50.383 -26.895 1.00 0.00 H +ATOM 30 HG21 ILE A 2 -32.146 -49.549 -26.369 1.00 0.00 H +ATOM 31 HG22 ILE A 2 -32.668 -48.188 -25.349 1.00 0.00 H +ATOM 32 HG23 ILE A 2 -31.032 -48.200 -26.047 1.00 0.00 H +ATOM 33 N GLY A 3 -31.052 -49.913 -21.369 1.00 50.54 N +ATOM 34 CA GLY A 3 -30.580 -50.734 -20.270 1.00 52.40 C +ATOM 35 C GLY A 3 -30.647 -50.022 -18.934 1.00 56.34 C +ATOM 36 O GLY A 3 -30.964 -48.822 -18.889 1.00 52.19 O +ATOM 37 H GLY A 3 -32.046 -49.862 -21.541 1.00 0.00 H +ATOM 38 HA3 GLY A 3 -29.553 -51.044 -20.464 1.00 0.00 H +ATOM 39 HA2 GLY A 3 -31.170 -51.649 -20.223 1.00 0.00 H +ATOM 40 N PRO A 4 -30.310 -50.739 -17.841 1.00 56.07 N +ATOM 41 CA PRO A 4 -29.739 -52.104 -17.830 1.00 54.83 C +ATOM 42 C PRO A 4 -30.741 -53.257 -18.066 1.00 48.29 C +ATOM 43 O PRO A 4 -30.389 -54.440 -18.038 1.00 44.17 O +ATOM 44 CB PRO A 4 -29.132 -52.203 -16.425 1.00 50.88 C +ATOM 45 CG PRO A 4 -30.020 -51.326 -15.587 1.00 46.56 C +ATOM 46 CD PRO A 4 -30.420 -50.172 -16.480 1.00 43.15 C +ATOM 47 HA PRO A 4 -28.941 -52.165 -18.570 1.00 0.00 H +ATOM 48 HB3 PRO A 4 -28.124 -51.788 -16.438 1.00 0.00 H +ATOM 49 HB2 PRO A 4 -29.205 -53.232 -16.072 1.00 0.00 H +ATOM 50 HG3 PRO A 4 -29.455 -50.946 -14.736 1.00 0.00 H +ATOM 51 HG2 PRO A 4 -30.910 -51.884 -15.297 1.00 0.00 H +ATOM 52 HD2 PRO A 4 -31.459 -49.908 -16.283 1.00 0.00 H +ATOM 53 HD3 PRO A 4 -29.698 -49.363 -16.368 1.00 0.00 H +ATOM 54 N VAL A 5 -32.001 -52.918 -18.291 1.00 57.00 N +ATOM 55 CA VAL A 5 -33.018 -53.905 -18.618 1.00 57.01 C +ATOM 56 C VAL A 5 -33.562 -53.529 -19.983 1.00 53.08 C +ATOM 57 O VAL A 5 -34.010 -52.394 -20.188 1.00 58.80 O +ATOM 58 CB VAL A 5 -34.130 -53.971 -17.560 1.00 54.48 C +ATOM 59 CG1 VAL A 5 -34.634 -52.584 -17.222 1.00 57.88 C +ATOM 60 CG2 VAL A 5 -35.282 -54.870 -18.048 1.00 50.89 C +ATOM 61 H VAL A 5 -32.280 -51.949 -18.238 1.00 0.00 H +ATOM 62 HA VAL A 5 -32.544 -54.884 -18.688 1.00 0.00 H +ATOM 63 HB VAL A 5 -33.713 -54.412 -16.655 1.00 0.00 H +ATOM 64 HG11 VAL A 5 -35.421 -52.656 -16.471 1.00 0.00 H +ATOM 65 HG12 VAL A 5 -33.813 -51.984 -16.831 1.00 0.00 H +ATOM 66 HG13 VAL A 5 -35.032 -52.113 -18.121 1.00 0.00 H +ATOM 67 HG21 VAL A 5 -36.062 -54.907 -17.288 1.00 0.00 H +ATOM 68 HG22 VAL A 5 -35.694 -54.464 -18.972 1.00 0.00 H +ATOM 69 HG23 VAL A 5 -34.906 -55.877 -18.231 1.00 0.00 H +ATOM 70 N ALA A 6 -33.486 -54.455 -20.928 1.00 42.09 N +ATOM 71 CA ALA A 6 -33.843 -54.059 -22.279 1.00 45.05 C +ATOM 72 C ALA A 6 -34.016 -55.297 -23.129 1.00 45.90 C +ATOM 73 O ALA A 6 -33.616 -56.404 -22.744 1.00 52.08 O +ATOM 74 CB ALA A 6 -32.788 -53.129 -22.893 1.00 44.11 C +ATOM 75 H ALA A 6 -33.189 -55.392 -20.694 1.00 0.00 H +ATOM 76 HA ALA A 6 -34.794 -53.528 -22.244 1.00 0.00 H +ATOM 77 HB1 ALA A 6 -33.089 -52.854 -23.904 1.00 0.00 H +ATOM 78 HB2 ALA A 6 -32.697 -52.230 -22.284 1.00 0.00 H +ATOM 79 HB3 ALA A 6 -31.827 -53.642 -22.928 1.00 0.00 H +ATOM 80 N ASP A 7 -34.648 -55.094 -24.278 1.00 49.58 N +ATOM 81 CA ASP A 7 -34.759 -56.105 -25.316 1.00 50.77 C +ATOM 82 C ASP A 7 -33.705 -55.803 -26.365 1.00 53.63 C +ATOM 83 O ASP A 7 -33.519 -54.645 -26.756 1.00 60.83 O +ATOM 84 CB ASP A 7 -36.145 -56.103 -25.981 1.00 56.84 C +ATOM 85 CG ASP A 7 -37.235 -56.731 -25.120 1.00 57.18 C +ATOM 86 OD1 ASP A 7 -36.951 -57.653 -24.327 1.00 67.81 O +ATOM 87 OD2 ASP A 7 -38.398 -56.305 -25.263 1.00 65.22 O1- +ATOM 88 H ASP A 7 -35.082 -54.201 -24.465 1.00 0.00 H +ATOM 89 HA ASP A 7 -34.567 -57.087 -24.885 1.00 0.00 H +ATOM 90 HB3 ASP A 7 -36.090 -56.628 -26.934 1.00 0.00 H +ATOM 91 HB2 ASP A 7 -36.425 -55.079 -26.230 1.00 0.00 H +ATOM 92 N LEU A 8 -33.006 -56.837 -26.810 1.00 51.91 N +ATOM 93 CA LEU A 8 -32.114 -56.722 -27.958 1.00 55.52 C +ATOM 94 C LEU A 8 -32.703 -57.618 -29.042 1.00 55.77 C +ATOM 95 O LEU A 8 -32.606 -58.849 -28.957 1.00 54.30 O +ATOM 96 CB LEU A 8 -30.675 -57.108 -27.590 1.00 54.86 C +ATOM 97 CG LEU A 8 -30.082 -56.425 -26.340 1.00 45.04 C +ATOM 98 CD1 LEU A 8 -28.629 -56.817 -26.085 1.00 45.75 C +ATOM 99 CD2 LEU A 8 -30.195 -54.909 -26.443 1.00 48.06 C +ATOM 100 H LEU A 8 -33.083 -57.734 -26.352 1.00 0.00 H +ATOM 101 HA LEU A 8 -32.123 -55.690 -28.310 1.00 0.00 H +ATOM 102 HB3 LEU A 8 -30.024 -56.922 -28.444 1.00 0.00 H +ATOM 103 HB2 LEU A 8 -30.612 -58.190 -27.472 1.00 0.00 H +ATOM 104 HG LEU A 8 -30.668 -56.744 -25.478 1.00 0.00 H +ATOM 105 HD11 LEU A 8 -28.265 -56.306 -25.193 1.00 0.00 H +ATOM 106 HD12 LEU A 8 -28.563 -57.895 -25.938 1.00 0.00 H +ATOM 107 HD13 LEU A 8 -28.019 -56.530 -26.942 1.00 0.00 H +ATOM 108 HD21 LEU A 8 -29.770 -54.451 -25.550 1.00 0.00 H +ATOM 109 HD22 LEU A 8 -29.652 -54.563 -27.322 1.00 0.00 H +ATOM 110 HD23 LEU A 8 -31.244 -54.627 -26.531 1.00 0.00 H +ATOM 111 N THR A 9 -33.341 -57.003 -30.043 1.00 56.73 N +ATOM 112 CA THR A 9 -33.845 -57.725 -31.212 1.00 55.93 C +ATOM 113 C THR A 9 -32.794 -57.708 -32.310 1.00 52.04 C +ATOM 114 O THR A 9 -32.312 -56.643 -32.696 1.00 48.03 O +ATOM 115 CB THR A 9 -35.141 -57.100 -31.731 1.00 55.55 C +ATOM 116 OG1 THR A 9 -36.056 -56.956 -30.643 1.00 52.42 O +ATOM 117 CG2 THR A 9 -35.784 -57.974 -32.862 1.00 39.88 C +ATOM 118 H THR A 9 -33.490 -56.005 -30.009 1.00 0.00 H +ATOM 119 HA THR A 9 -34.042 -58.759 -30.929 1.00 0.00 H +ATOM 120 HB THR A 9 -34.917 -56.113 -32.135 1.00 0.00 H +ATOM 121 HG1 THR A 9 -35.669 -56.389 -29.972 1.00 0.00 H +ATOM 122 HG21 THR A 9 -36.703 -57.502 -33.209 1.00 0.00 H +ATOM 123 HG22 THR A 9 -35.086 -58.063 -33.694 1.00 0.00 H +ATOM 124 HG23 THR A 9 -36.011 -58.966 -32.471 1.00 0.00 H +ATOM 125 N ILE A 10 -32.462 -58.883 -32.831 1.00 53.91 N +ATOM 126 CA ILE A 10 -31.404 -59.027 -33.822 1.00 45.49 C +ATOM 127 C ILE A 10 -32.036 -59.413 -35.151 1.00 49.72 C +ATOM 128 O ILE A 10 -32.770 -60.406 -35.235 1.00 53.77 O +ATOM 129 CB ILE A 10 -30.352 -60.061 -33.386 1.00 55.03 C +ATOM 130 CG1 ILE A 10 -29.795 -59.704 -32.014 1.00 65.51 C +ATOM 131 CD1 ILE A 10 -30.602 -60.266 -30.898 1.00 70.32 C +ATOM 132 CG2 ILE A 10 -29.218 -60.115 -34.374 1.00 42.87 C +ATOM 133 H ILE A 10 -32.949 -59.719 -32.542 1.00 0.00 H +ATOM 134 HA ILE A 10 -30.910 -58.063 -33.942 1.00 0.00 H +ATOM 135 HB ILE A 10 -30.822 -61.043 -33.333 1.00 0.00 H +ATOM 136 HG13 ILE A 10 -29.745 -58.620 -31.914 1.00 0.00 H +ATOM 137 HG12 ILE A 10 -28.769 -60.063 -31.935 1.00 0.00 H +ATOM 138 HD11 ILE A 10 -30.156 -59.978 -29.946 1.00 0.00 H +ATOM 139 HD12 ILE A 10 -31.619 -59.879 -30.954 1.00 0.00 H +ATOM 140 HD13 ILE A 10 -30.622 -61.353 -30.975 1.00 0.00 H +ATOM 141 HG21 ILE A 10 -28.485 -60.852 -34.047 1.00 0.00 H +ATOM 142 HG22 ILE A 10 -29.603 -60.396 -35.354 1.00 0.00 H +ATOM 143 HG23 ILE A 10 -28.744 -59.136 -34.437 1.00 0.00 H +ATOM 144 N SER A 11 -31.751 -58.631 -36.188 1.00 49.45 N +ATOM 145 CA SER A 11 -32.326 -58.870 -37.506 1.00 55.80 C +ATOM 146 C SER A 11 -31.301 -58.525 -38.578 1.00 56.82 C +ATOM 147 O SER A 11 -30.174 -58.108 -38.284 1.00 62.40 O +ATOM 148 CB SER A 11 -33.595 -58.043 -37.710 1.00 54.54 C +ATOM 149 OG SER A 11 -33.322 -56.668 -37.494 1.00 54.12 O +ATOM 150 H SER A 11 -31.122 -57.849 -36.073 1.00 0.00 H +ATOM 151 HA SER A 11 -32.579 -59.927 -37.591 1.00 0.00 H +ATOM 152 HB3 SER A 11 -34.361 -58.375 -37.010 1.00 0.00 H +ATOM 153 HB2 SER A 11 -33.961 -58.185 -38.727 1.00 0.00 H +ATOM 154 HG SER A 11 -32.651 -56.374 -38.115 1.00 0.00 H +ATOM 155 N ASN A 12 -31.724 -58.678 -39.834 1.00 44.34 N +ATOM 156 CA ASN A 12 -30.911 -58.371 -40.998 1.00 40.99 C +ATOM 157 C ASN A 12 -31.457 -57.144 -41.713 1.00 47.53 C +ATOM 158 O ASN A 12 -32.675 -56.950 -41.801 1.00 45.40 O +ATOM 159 CB ASN A 12 -30.867 -59.559 -41.953 1.00 40.92 C +ATOM 160 CG ASN A 12 -30.258 -60.783 -41.300 1.00 60.73 C +ATOM 161 OD1 ASN A 12 -30.911 -61.820 -41.151 1.00 57.06 O +ATOM 162 ND2 ASN A 12 -29.004 -60.656 -40.872 1.00 53.48 N +ATOM 163 H ASN A 12 -32.655 -59.024 -40.015 1.00 0.00 H +ATOM 164 HA ASN A 12 -29.896 -58.156 -40.665 1.00 0.00 H +ATOM 165 HB3 ASN A 12 -30.287 -59.293 -42.836 1.00 0.00 H +ATOM 166 HB2 ASN A 12 -31.877 -59.792 -42.289 1.00 0.00 H +ATOM 167 HD22 ASN A 12 -28.541 -61.436 -40.428 1.00 0.00 H +ATOM 168 HD21 ASN A 12 -28.516 -59.780 -40.992 1.00 0.00 H +ATOM 169 N GLY A 13 -30.548 -56.312 -42.215 1.00 41.75 N +ATOM 170 CA GLY A 13 -30.954 -55.176 -43.024 1.00 41.47 C +ATOM 171 C GLY A 13 -29.795 -54.685 -43.863 1.00 48.94 C +ATOM 172 O GLY A 13 -28.649 -55.119 -43.709 1.00 50.23 O +ATOM 173 H GLY A 13 -29.567 -56.468 -42.035 1.00 0.00 H +ATOM 174 HA3 GLY A 13 -31.298 -54.372 -42.374 1.00 0.00 H +ATOM 175 HA2 GLY A 13 -31.776 -55.470 -43.677 1.00 0.00 H +ATOM 176 N ALA A 14 -30.115 -53.773 -44.770 1.00 49.52 N +ATOM 177 CA ALA A 14 -29.085 -53.095 -45.533 1.00 61.14 C +ATOM 178 C ALA A 14 -28.449 -52.005 -44.679 1.00 58.25 C +ATOM 179 O ALA A 14 -29.116 -51.354 -43.869 1.00 60.30 O +ATOM 180 CB ALA A 14 -29.664 -52.504 -46.820 1.00 58.63 C +ATOM 181 H ALA A 14 -31.085 -53.544 -44.936 1.00 0.00 H +ATOM 182 HA ALA A 14 -28.316 -53.820 -45.799 1.00 0.00 H +ATOM 183 HB1 ALA A 14 -28.874 -52.000 -47.377 1.00 0.00 H +ATOM 184 HB2 ALA A 14 -30.085 -53.303 -47.430 1.00 0.00 H +ATOM 185 HB3 ALA A 14 -30.446 -51.787 -46.571 1.00 0.00 H +ATOM 186 N VAL A 15 -27.142 -51.835 -44.838 1.00 52.51 N +ATOM 187 CA VAL A 15 -26.399 -50.765 -44.186 1.00 54.76 C +ATOM 188 C VAL A 15 -25.452 -50.181 -45.220 1.00 46.16 C +ATOM 189 O VAL A 15 -25.116 -50.824 -46.213 1.00 53.40 O +ATOM 190 CB VAL A 15 -25.596 -51.245 -42.962 1.00 51.81 C +ATOM 191 CG1 VAL A 15 -26.508 -51.929 -41.969 1.00 67.22 C +ATOM 192 CG2 VAL A 15 -24.501 -52.191 -43.413 1.00 44.67 C +ATOM 193 H VAL A 15 -26.620 -52.463 -45.432 1.00 0.00 H +ATOM 194 HA VAL A 15 -27.098 -49.991 -43.869 1.00 0.00 H +ATOM 195 HB VAL A 15 -25.138 -50.381 -42.481 1.00 0.00 H +ATOM 196 HG11 VAL A 15 -25.926 -52.262 -41.110 1.00 0.00 H +ATOM 197 HG12 VAL A 15 -27.275 -51.229 -41.638 1.00 0.00 H +ATOM 198 HG13 VAL A 15 -26.981 -52.789 -42.442 1.00 0.00 H +ATOM 199 HG21 VAL A 15 -23.933 -52.530 -42.546 1.00 0.00 H +ATOM 200 HG22 VAL A 15 -24.946 -53.051 -43.914 1.00 0.00 H +ATOM 201 HG23 VAL A 15 -23.835 -51.674 -44.103 1.00 0.00 H +ATOM 202 N SER A 16 -25.031 -48.942 -44.978 1.00 47.48 N +ATOM 203 CA SER A 16 -24.049 -48.275 -45.818 1.00 45.23 C +ATOM 204 C SER A 16 -23.115 -47.384 -45.004 1.00 41.94 C +ATOM 205 O SER A 16 -22.940 -46.207 -45.336 1.00 51.74 O +ATOM 206 CB SER A 16 -24.755 -47.456 -46.892 1.00 41.68 C +ATOM 207 OG SER A 16 -25.869 -48.173 -47.385 1.00 64.58 O +ATOM 208 H SER A 16 -25.395 -48.430 -44.187 1.00 0.00 H +ATOM 209 HA SER A 16 -23.448 -49.038 -46.312 1.00 0.00 H +ATOM 210 HB3 SER A 16 -24.062 -47.255 -47.709 1.00 0.00 H +ATOM 211 HB2 SER A 16 -25.091 -46.511 -46.465 1.00 0.00 H +ATOM 212 HG SER A 16 -25.574 -49.005 -47.763 1.00 0.00 H +ATOM 213 N PRO A 17 -22.456 -47.915 -43.970 1.00 50.54 N +ATOM 214 CA PRO A 17 -21.611 -47.063 -43.124 1.00 51.52 C +ATOM 215 C PRO A 17 -20.404 -46.468 -43.845 1.00 49.78 C +ATOM 216 O PRO A 17 -19.725 -45.622 -43.253 1.00 58.09 O +ATOM 217 CB PRO A 17 -21.185 -48.014 -41.997 1.00 49.01 C +ATOM 218 CG PRO A 17 -21.192 -49.351 -42.633 1.00 51.80 C +ATOM 219 CD PRO A 17 -22.356 -49.334 -43.577 1.00 54.99 C +ATOM 220 HA PRO A 17 -22.215 -46.257 -42.707 1.00 0.00 H +ATOM 221 HB3 PRO A 17 -21.931 -47.989 -41.203 1.00 0.00 H +ATOM 222 HB2 PRO A 17 -20.170 -47.769 -41.683 1.00 0.00 H +ATOM 223 HG3 PRO A 17 -21.355 -50.113 -41.871 1.00 0.00 H +ATOM 224 HG2 PRO A 17 -20.270 -49.487 -43.198 1.00 0.00 H +ATOM 225 HD2 PRO A 17 -22.117 -49.935 -44.455 1.00 0.00 H +ATOM 226 HD3 PRO A 17 -23.259 -49.623 -43.040 1.00 0.00 H +ATOM 227 N ASP A 18 -20.121 -46.860 -45.099 1.00 50.28 N +ATOM 228 CA ASP A 18 -19.094 -46.207 -45.909 1.00 58.91 C +ATOM 229 C ASP A 18 -19.613 -45.851 -47.298 1.00 61.18 C +ATOM 230 O ASP A 18 -18.838 -45.764 -48.251 1.00 64.18 O +ATOM 231 CB ASP A 18 -17.844 -47.078 -46.039 1.00 64.34 C +ATOM 232 CG ASP A 18 -18.109 -48.363 -46.805 1.00 71.21 C +ATOM 233 OD1 ASP A 18 -19.272 -48.827 -46.806 1.00 61.18 O +ATOM 234 OD2 ASP A 18 -17.159 -48.909 -47.406 1.00 76.60 O1- +ATOM 235 H ASP A 18 -20.625 -47.631 -45.513 1.00 0.00 H +ATOM 236 HA ASP A 18 -18.809 -45.281 -45.409 1.00 0.00 H +ATOM 237 HB3 ASP A 18 -17.466 -47.320 -45.046 1.00 0.00 H +ATOM 238 HB2 ASP A 18 -17.059 -46.512 -46.541 1.00 0.00 H +ATOM 239 N GLY A 19 -20.918 -45.654 -47.441 1.00 50.23 N +ATOM 240 CA GLY A 19 -21.479 -45.357 -48.744 1.00 47.71 C +ATOM 241 C GLY A 19 -21.696 -46.551 -49.653 1.00 52.16 C +ATOM 242 O GLY A 19 -22.277 -46.385 -50.732 1.00 56.36 O +ATOM 243 H GLY A 19 -21.528 -45.711 -46.638 1.00 0.00 H +ATOM 244 HA3 GLY A 19 -20.846 -44.629 -49.251 1.00 0.00 H +ATOM 245 HA2 GLY A 19 -22.422 -44.825 -48.617 1.00 0.00 H +ATOM 246 N PHE A 20 -21.253 -47.748 -49.271 1.00 53.09 N +ATOM 247 CA PHE A 20 -21.450 -48.947 -50.078 1.00 49.00 C +ATOM 248 C PHE A 20 -22.472 -49.847 -49.393 1.00 44.69 C +ATOM 249 O PHE A 20 -22.327 -50.177 -48.213 1.00 61.26 O +ATOM 250 CB PHE A 20 -20.126 -49.684 -50.301 1.00 53.52 C +ATOM 251 CG PHE A 20 -20.276 -51.008 -51.001 1.00 69.38 C +ATOM 252 CD1 PHE A 20 -20.385 -51.073 -52.383 1.00 68.23 C +ATOM 253 CE1 PHE A 20 -20.525 -52.300 -53.031 1.00 64.28 C +ATOM 254 CZ PHE A 20 -20.549 -53.469 -52.294 1.00 65.85 C +ATOM 255 CE2 PHE A 20 -20.440 -53.415 -50.911 1.00 69.65 C +ATOM 256 CD2 PHE A 20 -20.303 -52.192 -50.274 1.00 72.82 C +ATOM 257 H PHE A 20 -20.761 -47.848 -48.395 1.00 0.00 H +ATOM 258 HA PHE A 20 -21.847 -48.649 -51.048 1.00 0.00 H +ATOM 259 HB3 PHE A 20 -19.631 -49.836 -49.342 1.00 0.00 H +ATOM 260 HB2 PHE A 20 -19.450 -49.048 -50.872 1.00 0.00 H +ATOM 261 HD1 PHE A 20 -20.362 -50.167 -52.970 1.00 0.00 H +ATOM 262 HE1 PHE A 20 -20.614 -52.335 -54.107 1.00 0.00 H +ATOM 263 HZ PHE A 20 -20.652 -54.421 -52.794 1.00 0.00 H +ATOM 264 HE2 PHE A 20 -20.462 -54.326 -50.332 1.00 0.00 H +ATOM 265 HD2 PHE A 20 -20.217 -52.167 -49.198 1.00 0.00 H +ATOM 266 N SER A 21 -23.511 -50.223 -50.123 1.00 44.18 N +ATOM 267 CA SER A 21 -24.627 -50.953 -49.532 1.00 54.82 C +ATOM 268 C SER A 21 -24.299 -52.437 -49.432 1.00 59.34 C +ATOM 269 O SER A 21 -23.842 -53.046 -50.404 1.00 58.95 O +ATOM 270 CB SER A 21 -25.896 -50.739 -50.369 1.00 48.74 C +ATOM 271 OG SER A 21 -27.041 -51.304 -49.757 1.00 62.17 O +ATOM 272 H SER A 21 -23.541 -50.005 -51.109 1.00 0.00 H +ATOM 273 HA SER A 21 -24.803 -50.567 -48.528 1.00 0.00 H +ATOM 274 HB3 SER A 21 -25.758 -51.180 -51.356 1.00 0.00 H +ATOM 275 HB2 SER A 21 -26.055 -49.671 -50.520 1.00 0.00 H +ATOM 276 HG SER A 21 -26.912 -52.249 -49.647 1.00 0.00 H +ATOM 277 N ARG A 22 -24.515 -53.013 -48.251 1.00 63.06 N +ATOM 278 CA ARG A 22 -24.403 -54.456 -48.071 1.00 58.74 C +ATOM 279 C ARG A 22 -25.373 -54.885 -46.983 1.00 51.75 C +ATOM 280 O ARG A 22 -25.787 -54.086 -46.144 1.00 48.76 O +ATOM 281 CB ARG A 22 -22.976 -54.902 -47.713 1.00 53.28 C +ATOM 282 CG ARG A 22 -22.442 -54.329 -46.397 1.00 51.83 C +ATOM 283 CD ARG A 22 -21.331 -55.208 -45.813 1.00 52.61 C +ATOM 284 NE ARG A 22 -21.873 -56.421 -45.199 1.00 59.60 N +ATOM 285 CZ ARG A 22 -21.151 -57.323 -44.536 1.00 62.08 C +ATOM 286 NH1 ARG A 22 -19.833 -57.163 -44.401 1.00 50.66 N +ATOM 287 NH2 ARG A 22 -21.748 -58.391 -44.014 1.00 55.53 N1+ +ATOM 288 H ARG A 22 -24.763 -52.448 -47.451 1.00 0.00 H +ATOM 289 HA ARG A 22 -24.693 -54.943 -49.002 1.00 0.00 H +ATOM 290 HB3 ARG A 22 -22.300 -54.633 -48.524 1.00 0.00 H +ATOM 291 HB2 ARG A 22 -22.937 -55.991 -47.675 1.00 0.00 H +ATOM 292 HG3 ARG A 22 -23.258 -54.250 -45.678 1.00 0.00 H +ATOM 293 HG2 ARG A 22 -22.057 -53.324 -46.569 1.00 0.00 H +ATOM 294 HD3 ARG A 22 -20.775 -54.641 -45.067 1.00 0.00 H +ATOM 295 HD2 ARG A 22 -20.632 -55.483 -46.603 1.00 0.00 H +ATOM 296 HE ARG A 22 -22.869 -56.551 -45.305 1.00 0.00 H +ATOM 297 HH12 ARG A 22 -19.290 -57.850 -43.897 1.00 0.00 H +ATOM 298 HH11 ARG A 22 -19.379 -56.355 -44.802 1.00 0.00 H +ATOM 299 HH22 ARG A 22 -21.205 -59.078 -43.510 1.00 0.00 H +ATOM 300 HH21 ARG A 22 -22.745 -58.515 -44.121 1.00 0.00 H +ATOM 301 N GLN A 23 -25.752 -56.157 -47.020 1.00 56.86 N +ATOM 302 CA GLN A 23 -26.646 -56.703 -46.010 1.00 54.93 C +ATOM 303 C GLN A 23 -25.840 -57.050 -44.760 1.00 57.15 C +ATOM 304 O GLN A 23 -24.699 -57.511 -44.854 1.00 56.79 O +ATOM 305 CB GLN A 23 -27.366 -57.934 -46.565 1.00 55.04 C +ATOM 306 CG GLN A 23 -28.570 -58.381 -45.779 1.00 67.44 C +ATOM 307 CD GLN A 23 -29.818 -57.570 -46.066 1.00 61.04 C +ATOM 308 OE1 GLN A 23 -29.850 -56.750 -46.972 1.00 61.30 O +ATOM 309 NE2 GLN A 23 -30.859 -57.809 -45.287 1.00 74.07 N +ATOM 310 H GLN A 23 -25.419 -56.762 -47.757 1.00 0.00 H +ATOM 311 HA GLN A 23 -27.388 -55.948 -45.752 1.00 0.00 H +ATOM 312 HB3 GLN A 23 -26.659 -58.760 -46.643 1.00 0.00 H +ATOM 313 HB2 GLN A 23 -27.660 -57.745 -47.598 1.00 0.00 H +ATOM 314 HG3 GLN A 23 -28.345 -58.333 -44.714 1.00 0.00 H +ATOM 315 HG2 GLN A 23 -28.767 -59.433 -45.986 1.00 0.00 H +ATOM 316 HE22 GLN A 23 -31.721 -57.302 -45.426 1.00 0.00 H +ATOM 317 HE21 GLN A 23 -30.792 -58.499 -44.552 1.00 0.00 H +ATOM 318 N ALA A 24 -26.422 -56.803 -43.587 1.00 55.31 N +ATOM 319 CA ALA A 24 -25.669 -56.902 -42.336 1.00 54.05 C +ATOM 320 C ALA A 24 -26.634 -57.186 -41.186 1.00 55.59 C +ATOM 321 O ALA A 24 -27.795 -57.552 -41.400 1.00 54.54 O +ATOM 322 CB ALA A 24 -24.846 -55.628 -42.103 1.00 46.15 C +ATOM 323 H ALA A 24 -27.397 -56.543 -43.552 1.00 0.00 H +ATOM 324 HA ALA A 24 -24.980 -57.743 -42.418 1.00 0.00 H +ATOM 325 HB1 ALA A 24 -24.292 -55.718 -41.169 1.00 0.00 H +ATOM 326 HB2 ALA A 24 -24.146 -55.491 -42.928 1.00 0.00 H +ATOM 327 HB3 ALA A 24 -25.514 -54.768 -42.047 1.00 0.00 H +ATOM 328 N ILE A 25 -26.156 -56.990 -39.958 1.00 52.48 N +ATOM 329 CA ILE A 25 -26.854 -57.409 -38.744 1.00 60.94 C +ATOM 330 C ILE A 25 -27.312 -56.179 -37.981 1.00 58.45 C +ATOM 331 O ILE A 25 -26.505 -55.296 -37.678 1.00 52.12 O +ATOM 332 CB ILE A 25 -25.948 -58.274 -37.854 1.00 58.37 C +ATOM 333 CG1 ILE A 25 -25.517 -59.527 -38.615 1.00 52.60 C +ATOM 334 CD1 ILE A 25 -24.750 -60.512 -37.782 1.00 39.94 C +ATOM 335 CG2 ILE A 25 -26.637 -58.573 -36.519 1.00 56.76 C +ATOM 336 H ILE A 25 -25.266 -56.530 -39.830 1.00 0.00 H +ATOM 337 HA ILE A 25 -27.730 -57.993 -39.026 1.00 0.00 H +ATOM 338 HB ILE A 25 -25.050 -57.695 -37.638 1.00 0.00 H +ATOM 339 HG13 ILE A 25 -24.916 -59.237 -39.477 1.00 0.00 H +ATOM 340 HG12 ILE A 25 -26.397 -60.016 -39.034 1.00 0.00 H +ATOM 341 HD11 ILE A 25 -24.480 -61.373 -38.393 1.00 0.00 H +ATOM 342 HD12 ILE A 25 -23.845 -60.039 -37.401 1.00 0.00 H +ATOM 343 HD13 ILE A 25 -25.367 -60.840 -36.946 1.00 0.00 H +ATOM 344 HG21 ILE A 25 -25.982 -59.187 -35.901 1.00 0.00 H +ATOM 345 HG22 ILE A 25 -26.852 -57.637 -36.003 1.00 0.00 H +ATOM 346 HG23 ILE A 25 -27.569 -59.108 -36.702 1.00 0.00 H +ATOM 347 N LEU A 26 -28.590 -56.134 -37.640 1.00 57.05 N +ATOM 348 CA LEU A 26 -29.160 -54.972 -36.983 1.00 48.43 C +ATOM 349 C LEU A 26 -29.528 -55.301 -35.545 1.00 48.61 C +ATOM 350 O LEU A 26 -29.937 -56.420 -35.234 1.00 44.05 O +ATOM 351 CB LEU A 26 -30.412 -54.476 -37.716 1.00 53.74 C +ATOM 352 CG LEU A 26 -30.391 -54.264 -39.232 1.00 55.54 C +ATOM 353 CD1 LEU A 26 -31.698 -53.619 -39.675 1.00 40.21 C +ATOM 354 CD2 LEU A 26 -29.197 -53.474 -39.712 1.00 51.00 C +ATOM 355 H LEU A 26 -29.193 -56.920 -37.836 1.00 0.00 H +ATOM 356 HA LEU A 26 -28.418 -54.174 -36.980 1.00 0.00 H +ATOM 357 HB3 LEU A 26 -30.763 -53.562 -37.236 1.00 0.00 H +ATOM 358 HB2 LEU A 26 -31.250 -55.125 -37.462 1.00 0.00 H +ATOM 359 HG LEU A 26 -30.339 -55.248 -39.698 1.00 0.00 H +ATOM 360 HD11 LEU A 26 -31.682 -53.469 -40.754 1.00 0.00 H +ATOM 361 HD12 LEU A 26 -32.532 -54.269 -39.412 1.00 0.00 H +ATOM 362 HD13 LEU A 26 -31.816 -52.657 -39.176 1.00 0.00 H +ATOM 363 HD21 LEU A 26 -29.246 -53.362 -40.795 1.00 0.00 H +ATOM 364 HD22 LEU A 26 -29.201 -52.489 -39.245 1.00 0.00 H +ATOM 365 HD23 LEU A 26 -28.281 -54.000 -39.443 1.00 0.00 H +ATOM 366 N VAL A 27 -29.411 -54.301 -34.674 1.00 47.85 N +ATOM 367 CA VAL A 27 -29.827 -54.421 -33.281 1.00 51.88 C +ATOM 368 C VAL A 27 -30.844 -53.319 -33.004 1.00 50.49 C +ATOM 369 O VAL A 27 -30.531 -52.127 -33.121 1.00 53.07 O +ATOM 370 CB VAL A 27 -28.626 -54.372 -32.324 1.00 45.74 C +ATOM 371 CG1 VAL A 27 -29.086 -54.256 -30.891 1.00 58.61 C +ATOM 372 CG2 VAL A 27 -27.815 -55.658 -32.508 1.00 43.87 C +ATOM 373 H VAL A 27 -29.022 -53.417 -34.969 1.00 0.00 H +ATOM 374 HA VAL A 27 -30.324 -55.383 -33.155 1.00 0.00 H +ATOM 375 HB VAL A 27 -28.002 -53.514 -32.573 1.00 0.00 H +ATOM 376 HG11 VAL A 27 -28.218 -54.223 -30.232 1.00 0.00 H +ATOM 377 HG12 VAL A 27 -29.669 -53.343 -30.769 1.00 0.00 H +ATOM 378 HG13 VAL A 27 -29.703 -55.118 -30.636 1.00 0.00 H +ATOM 379 HG21 VAL A 27 -26.956 -55.645 -31.837 1.00 0.00 H +ATOM 380 HG22 VAL A 27 -28.442 -56.520 -32.278 1.00 0.00 H +ATOM 381 HG23 VAL A 27 -27.469 -55.726 -33.539 1.00 0.00 H +ATOM 382 N ASN A 28 -32.071 -53.721 -32.687 1.00 57.47 N +ATOM 383 CA ASN A 28 -33.202 -52.800 -32.626 1.00 54.52 C +ATOM 384 C ASN A 28 -33.213 -51.881 -33.846 1.00 54.94 C +ATOM 385 O ASN A 28 -33.227 -50.655 -33.735 1.00 59.73 O +ATOM 386 CB ASN A 28 -33.177 -52.008 -31.323 1.00 48.20 C +ATOM 387 CG ASN A 28 -33.166 -52.913 -30.126 1.00 53.73 C +ATOM 388 OD1 ASN A 28 -33.596 -54.066 -30.220 1.00 54.61 O +ATOM 389 ND2 ASN A 28 -32.650 -52.426 -29.006 1.00 52.21 N +ATOM 390 H ASN A 28 -32.246 -54.694 -32.478 1.00 0.00 H +ATOM 391 HA ASN A 28 -34.118 -53.391 -32.642 1.00 0.00 H +ATOM 392 HB3 ASN A 28 -34.050 -51.357 -31.277 1.00 0.00 H +ATOM 393 HB2 ASN A 28 -32.294 -51.370 -31.303 1.00 0.00 H +ATOM 394 HD22 ASN A 28 -32.620 -52.997 -28.174 1.00 0.00 H +ATOM 395 HD21 ASN A 28 -32.287 -51.484 -28.985 1.00 0.00 H +ATOM 396 N ASP A 29 -33.136 -52.500 -35.022 1.00 50.25 N +ATOM 397 CA ASP A 29 -33.283 -51.846 -36.319 1.00 56.86 C +ATOM 398 C ASP A 29 -32.209 -50.813 -36.631 1.00 47.08 C +ATOM 399 O ASP A 29 -32.372 -50.047 -37.578 1.00 45.95 O +ATOM 400 CB ASP A 29 -34.658 -51.179 -36.456 1.00 58.39 C +ATOM 401 CG ASP A 29 -35.785 -52.171 -36.360 1.00 69.06 C +ATOM 402 OD1 ASP A 29 -36.642 -52.168 -37.264 1.00 88.82 O +ATOM 403 OD2 ASP A 29 -35.809 -52.968 -35.400 1.00 79.03 O1- +ATOM 404 H ASP A 29 -32.964 -53.495 -35.059 1.00 0.00 H +ATOM 405 HA ASP A 29 -33.220 -52.621 -37.083 1.00 0.00 H +ATOM 406 HB3 ASP A 29 -34.714 -50.658 -37.412 1.00 0.00 H +ATOM 407 HB2 ASP A 29 -34.773 -50.423 -35.679 1.00 0.00 H +ATOM 408 N VAL A 30 -31.122 -50.735 -35.875 1.00 51.54 N +ATOM 409 CA VAL A 30 -30.092 -49.752 -36.184 1.00 52.50 C +ATOM 410 C VAL A 30 -28.762 -50.451 -36.421 1.00 53.15 C +ATOM 411 O VAL A 30 -28.480 -51.500 -35.830 1.00 47.21 O +ATOM 412 CB VAL A 30 -29.959 -48.663 -35.094 1.00 56.46 C +ATOM 413 CG1 VAL A 30 -31.241 -47.857 -35.026 1.00 47.19 C +ATOM 414 CG2 VAL A 30 -29.577 -49.245 -33.731 1.00 48.63 C +ATOM 415 H VAL A 30 -31.009 -51.356 -35.087 1.00 0.00 H +ATOM 416 HA VAL A 30 -30.375 -49.257 -37.113 1.00 0.00 H +ATOM 417 HB VAL A 30 -29.160 -47.987 -35.399 1.00 0.00 H +ATOM 418 HG11 VAL A 30 -31.148 -47.089 -34.258 1.00 0.00 H +ATOM 419 HG12 VAL A 30 -31.425 -47.384 -35.991 1.00 0.00 H +ATOM 420 HG13 VAL A 30 -32.073 -48.517 -34.780 1.00 0.00 H +ATOM 421 HG21 VAL A 30 -29.496 -48.440 -33.001 1.00 0.00 H +ATOM 422 HG22 VAL A 30 -30.343 -49.951 -33.409 1.00 0.00 H +ATOM 423 HG23 VAL A 30 -28.619 -49.760 -33.811 1.00 0.00 H +ATOM 424 N PHE A 31 -27.989 -49.888 -37.353 1.00 53.59 N +ATOM 425 CA PHE A 31 -26.551 -50.076 -37.454 1.00 45.44 C +ATOM 426 C PHE A 31 -25.871 -48.734 -37.245 1.00 46.42 C +ATOM 427 O PHE A 31 -26.268 -47.732 -37.856 1.00 52.29 O +ATOM 428 CB PHE A 31 -26.150 -50.635 -38.798 1.00 47.63 C +ATOM 429 CG PHE A 31 -24.697 -50.947 -38.897 1.00 45.00 C +ATOM 430 CD1 PHE A 31 -23.781 -49.957 -39.225 1.00 46.90 C +ATOM 431 CE1 PHE A 31 -22.432 -50.241 -39.287 1.00 54.13 C +ATOM 432 CZ PHE A 31 -21.987 -51.528 -39.037 1.00 48.00 C +ATOM 433 CE2 PHE A 31 -22.889 -52.522 -38.715 1.00 45.49 C +ATOM 434 CD2 PHE A 31 -24.237 -52.228 -38.646 1.00 42.44 C +ATOM 435 H PHE A 31 -28.399 -49.284 -38.051 1.00 0.00 H +ATOM 436 HA PHE A 31 -26.227 -50.764 -36.673 1.00 0.00 H +ATOM 437 HB3 PHE A 31 -26.422 -49.927 -39.580 1.00 0.00 H +ATOM 438 HB2 PHE A 31 -26.728 -51.536 -39.002 1.00 0.00 H +ATOM 439 HD1 PHE A 31 -24.122 -48.954 -39.434 1.00 0.00 H +ATOM 440 HE1 PHE A 31 -21.726 -49.460 -39.530 1.00 0.00 H +ATOM 441 HZ PHE A 31 -20.933 -51.755 -39.094 1.00 0.00 H +ATOM 442 HE2 PHE A 31 -22.540 -53.525 -38.518 1.00 0.00 H +ATOM 443 HD2 PHE A 31 -24.935 -53.012 -38.393 1.00 0.00 H +ATOM 444 N PRO A 32 -24.836 -48.698 -36.392 1.00 42.23 N +ATOM 445 CA PRO A 32 -24.287 -49.840 -35.644 1.00 39.74 C +ATOM 446 C PRO A 32 -25.125 -50.090 -34.385 1.00 50.56 C +ATOM 447 O PRO A 32 -26.076 -49.348 -34.133 1.00 57.92 O +ATOM 448 CB PRO A 32 -22.845 -49.386 -35.314 1.00 41.87 C +ATOM 449 CG PRO A 32 -22.927 -47.856 -35.259 1.00 45.02 C +ATOM 450 CD PRO A 32 -24.192 -47.423 -36.022 1.00 39.11 C +ATOM 451 HA PRO A 32 -24.270 -50.731 -36.271 1.00 0.00 H +ATOM 452 HB3 PRO A 32 -22.179 -49.683 -36.124 1.00 0.00 H +ATOM 453 HB2 PRO A 32 -22.562 -49.768 -34.333 1.00 0.00 H +ATOM 454 HG3 PRO A 32 -22.048 -47.428 -35.741 1.00 0.00 H +ATOM 455 HG2 PRO A 32 -23.002 -47.534 -34.220 1.00 0.00 H +ATOM 456 HD2 PRO A 32 -24.847 -46.870 -35.349 1.00 0.00 H +ATOM 457 HD3 PRO A 32 -23.902 -46.890 -36.927 1.00 0.00 H +ATOM 458 N SER A 33 -24.805 -51.125 -33.614 1.00 53.50 N +ATOM 459 CA SER A 33 -25.682 -51.498 -32.513 1.00 50.70 C +ATOM 460 C SER A 33 -25.666 -50.399 -31.454 1.00 47.91 C +ATOM 461 O SER A 33 -24.670 -49.691 -31.314 1.00 47.96 O +ATOM 462 CB SER A 33 -25.238 -52.825 -31.905 1.00 45.50 C +ATOM 463 OG SER A 33 -24.838 -53.727 -32.921 1.00 52.40 O +ATOM 464 H SER A 33 -23.959 -51.646 -33.794 1.00 0.00 H +ATOM 465 HA SER A 33 -26.698 -51.607 -32.893 1.00 0.00 H +ATOM 466 HB3 SER A 33 -26.062 -53.259 -31.339 1.00 0.00 H +ATOM 467 HB2 SER A 33 -24.404 -52.652 -31.225 1.00 0.00 H +ATOM 468 HG SER A 33 -25.575 -53.887 -33.515 1.00 0.00 H +ATOM 469 N PRO A 34 -26.763 -50.223 -30.717 1.00 43.69 N +ATOM 470 CA PRO A 34 -26.841 -49.115 -29.748 1.00 45.77 C +ATOM 471 C PRO A 34 -26.035 -49.368 -28.481 1.00 48.97 C +ATOM 472 O PRO A 34 -25.838 -50.505 -28.053 1.00 49.72 O +ATOM 473 CB PRO A 34 -28.339 -49.033 -29.412 1.00 38.72 C +ATOM 474 CG PRO A 34 -28.852 -50.401 -29.699 1.00 50.21 C +ATOM 475 CD PRO A 34 -28.047 -50.935 -30.851 1.00 41.04 C +ATOM 476 HA PRO A 34 -26.514 -48.187 -30.217 1.00 0.00 H +ATOM 477 HB3 PRO A 34 -28.820 -48.320 -30.081 1.00 0.00 H +ATOM 478 HB2 PRO A 34 -28.459 -48.818 -28.350 1.00 0.00 H +ATOM 479 HG3 PRO A 34 -29.902 -50.342 -29.987 1.00 0.00 H +ATOM 480 HG2 PRO A 34 -28.700 -51.036 -28.826 1.00 0.00 H +ATOM 481 HD2 PRO A 34 -27.882 -52.003 -30.710 1.00 0.00 H +ATOM 482 HD3 PRO A 34 -28.523 -50.645 -31.788 1.00 0.00 H +ATOM 483 N LEU A 35 -25.618 -48.265 -27.856 1.00 45.55 N +ATOM 484 CA LEU A 35 -24.951 -48.295 -26.557 1.00 44.73 C +ATOM 485 C LEU A 35 -25.897 -48.760 -25.440 1.00 56.07 C +ATOM 486 O LEU A 35 -27.039 -48.295 -25.343 1.00 49.13 O +ATOM 487 CB LEU A 35 -24.412 -46.902 -26.246 1.00 43.06 C +ATOM 488 CG LEU A 35 -24.101 -46.507 -24.810 1.00 46.88 C +ATOM 489 CD1 LEU A 35 -22.718 -47.065 -24.423 1.00 38.19 C +ATOM 490 CD2 LEU A 35 -24.163 -44.978 -24.691 1.00 43.28 C +ATOM 491 H LEU A 35 -25.759 -47.360 -28.281 1.00 0.00 H +ATOM 492 HA LEU A 35 -24.112 -48.988 -26.613 1.00 0.00 H +ATOM 493 HB3 LEU A 35 -25.081 -46.159 -26.680 1.00 0.00 H +ATOM 494 HB2 LEU A 35 -23.532 -46.717 -26.862 1.00 0.00 H +ATOM 495 HG LEU A 35 -24.854 -46.943 -24.153 1.00 0.00 H +ATOM 496 HD11 LEU A 35 -22.488 -46.786 -23.395 1.00 0.00 H +ATOM 497 HD12 LEU A 35 -22.726 -48.151 -24.511 1.00 0.00 H +ATOM 498 HD13 LEU A 35 -21.960 -46.653 -25.089 1.00 0.00 H +ATOM 499 HD21 LEU A 35 -23.942 -44.684 -23.665 1.00 0.00 H +ATOM 500 HD22 LEU A 35 -23.431 -44.531 -25.363 1.00 0.00 H +ATOM 501 HD23 LEU A 35 -25.161 -44.632 -24.960 1.00 0.00 H +ATOM 502 N ILE A 36 -25.411 -49.685 -24.594 1.00 50.48 N +ATOM 503 CA ILE A 36 -26.103 -50.126 -23.383 1.00 43.95 C +ATOM 504 C ILE A 36 -25.474 -49.419 -22.193 1.00 49.70 C +ATOM 505 O ILE A 36 -24.266 -49.130 -22.176 1.00 41.66 O +ATOM 506 CB ILE A 36 -26.042 -51.662 -23.208 1.00 49.02 C +ATOM 507 CG1 ILE A 36 -26.605 -52.349 -24.461 1.00 49.43 C +ATOM 508 CD1 ILE A 36 -26.939 -53.794 -24.284 1.00 62.12 C +ATOM 509 CG2 ILE A 36 -26.799 -52.115 -21.917 1.00 38.44 C +ATOM 510 H ILE A 36 -24.518 -50.119 -24.779 1.00 0.00 H +ATOM 511 HA ILE A 36 -27.149 -49.826 -23.452 1.00 0.00 H +ATOM 512 HB ILE A 36 -24.996 -51.950 -23.105 1.00 0.00 H +ATOM 513 HG13 ILE A 36 -25.896 -52.240 -25.281 1.00 0.00 H +ATOM 514 HG12 ILE A 36 -27.492 -51.813 -24.799 1.00 0.00 H +ATOM 515 HD11 ILE A 36 -27.329 -54.195 -25.220 1.00 0.00 H +ATOM 516 HD12 ILE A 36 -26.041 -54.343 -24.001 1.00 0.00 H +ATOM 517 HD13 ILE A 36 -27.691 -53.901 -23.502 1.00 0.00 H +ATOM 518 HG21 ILE A 36 -26.739 -53.199 -21.821 1.00 0.00 H +ATOM 519 HG22 ILE A 36 -26.342 -51.648 -21.045 1.00 0.00 H +ATOM 520 HG23 ILE A 36 -27.845 -51.814 -21.984 1.00 0.00 H +ATOM 521 N THR A 37 -26.289 -49.156 -21.173 1.00 48.15 N +ATOM 522 CA THR A 37 -25.849 -48.336 -20.062 1.00 48.67 C +ATOM 523 C THR A 37 -26.424 -48.820 -18.736 1.00 52.79 C +ATOM 524 O THR A 37 -27.554 -49.312 -18.658 1.00 51.51 O +ATOM 525 CB THR A 37 -26.196 -46.876 -20.367 1.00 56.85 C +ATOM 526 OG1 THR A 37 -25.063 -46.265 -20.997 1.00 57.96 O +ATOM 527 CG2 THR A 37 -26.604 -46.121 -19.148 1.00 52.87 C +ATOM 528 H THR A 37 -27.227 -49.530 -21.167 1.00 0.00 H +ATOM 529 HA THR A 37 -24.763 -48.414 -20.001 1.00 0.00 H +ATOM 530 HB THR A 37 -27.027 -46.862 -21.072 1.00 0.00 H +ATOM 531 HG1 THR A 37 -24.859 -46.731 -21.811 1.00 0.00 H +ATOM 532 HG21 THR A 37 -26.839 -45.092 -19.419 1.00 0.00 H +ATOM 533 HG22 THR A 37 -27.483 -46.590 -18.707 1.00 0.00 H +ATOM 534 HG23 THR A 37 -25.788 -46.128 -18.425 1.00 0.00 H +ATOM 535 N GLY A 38 -25.599 -48.702 -17.698 1.00 46.92 N +ATOM 536 CA GLY A 38 -25.996 -49.014 -16.339 1.00 49.12 C +ATOM 537 C GLY A 38 -25.097 -48.272 -15.376 1.00 54.72 C +ATOM 538 O GLY A 38 -24.071 -47.701 -15.771 1.00 47.91 O +ATOM 539 H GLY A 38 -24.651 -48.383 -17.840 1.00 0.00 H +ATOM 540 HA3 GLY A 38 -25.902 -50.087 -16.170 1.00 0.00 H +ATOM 541 HA2 GLY A 38 -27.029 -48.705 -16.183 1.00 0.00 H +ATOM 542 N ASN A 39 -25.538 -48.229 -14.117 1.00 53.23 N +ATOM 543 CA ASN A 39 -24.753 -47.808 -12.963 1.00 53.82 C +ATOM 544 C ASN A 39 -24.081 -49.025 -12.333 1.00 53.50 C +ATOM 545 O ASN A 39 -24.532 -50.161 -12.492 1.00 59.26 O +ATOM 546 CB ASN A 39 -25.641 -47.121 -11.913 1.00 47.69 C +ATOM 547 CG ASN A 39 -26.020 -45.704 -12.296 1.00 58.43 C +ATOM 548 OD1 ASN A 39 -27.293 -45.359 -12.105 1.00 54.76 O +ATOM 549 ND2 ASN A 39 -25.182 -44.929 -12.771 1.00 51.67 N +ATOM 550 H ASN A 39 -26.487 -48.502 -13.905 1.00 0.00 H +ATOM 551 HA ASN A 39 -23.985 -47.108 -13.292 1.00 0.00 H +ATOM 552 HB3 ASN A 39 -25.125 -47.111 -10.953 1.00 0.00 H +ATOM 553 HB2 ASN A 39 -26.546 -47.710 -11.763 1.00 0.00 H +ATOM 554 HD22 ASN A 39 -25.449 -43.988 -13.021 1.00 0.00 H +ATOM 555 HD21 ASN A 39 -24.230 -45.237 -12.909 1.00 0.00 H +ATOM 556 N ALA A 40 -23.004 -48.780 -11.594 1.00 47.67 N +ATOM 557 CA ALA A 40 -22.342 -49.879 -10.899 1.00 60.55 C +ATOM 558 C ALA A 40 -23.314 -50.549 -9.928 1.00 62.52 C +ATOM 559 O ALA A 40 -24.026 -49.879 -9.176 1.00 65.01 O +ATOM 560 CB ALA A 40 -21.102 -49.377 -10.158 1.00 56.43 C +ATOM 561 H ALA A 40 -22.649 -47.838 -11.516 1.00 0.00 H +ATOM 562 HA ALA A 40 -22.028 -50.616 -11.638 1.00 0.00 H +ATOM 563 HB1 ALA A 40 -20.622 -50.211 -9.646 1.00 0.00 H +ATOM 564 HB2 ALA A 40 -20.404 -48.939 -10.872 1.00 0.00 H +ATOM 565 HB3 ALA A 40 -21.395 -48.623 -9.428 1.00 0.00 H +ATOM 566 N GLY A 41 -23.369 -51.875 -9.970 1.00 62.28 N +ATOM 567 CA GLY A 41 -24.264 -52.618 -9.110 1.00 53.38 C +ATOM 568 C GLY A 41 -25.640 -52.887 -9.672 1.00 49.46 C +ATOM 569 O GLY A 41 -26.437 -53.551 -9.006 1.00 59.82 O +ATOM 570 H GLY A 41 -22.779 -52.385 -10.611 1.00 0.00 H +ATOM 571 HA3 GLY A 41 -24.360 -52.099 -8.156 1.00 0.00 H +ATOM 572 HA2 GLY A 41 -23.796 -53.563 -8.835 1.00 0.00 H +ATOM 573 N ASP A 42 -25.956 -52.390 -10.864 1.00 50.93 N +ATOM 574 CA ASP A 42 -27.216 -52.745 -11.497 1.00 51.11 C +ATOM 575 C ASP A 42 -27.269 -54.237 -11.811 1.00 55.65 C +ATOM 576 O ASP A 42 -26.246 -54.881 -12.058 1.00 53.10 O +ATOM 577 CB ASP A 42 -27.410 -51.953 -12.788 1.00 54.61 C +ATOM 578 CG ASP A 42 -27.748 -50.500 -12.531 1.00 62.11 C +ATOM 579 OD1 ASP A 42 -27.927 -49.757 -13.517 1.00 61.74 O +ATOM 580 OD2 ASP A 42 -27.833 -50.105 -11.346 1.00 59.30 O1- +ATOM 581 H ASP A 42 -25.320 -51.763 -11.334 1.00 0.00 H +ATOM 582 HA ASP A 42 -28.030 -52.503 -10.814 1.00 0.00 H +ATOM 583 HB3 ASP A 42 -28.204 -52.411 -13.378 1.00 0.00 H +ATOM 584 HB2 ASP A 42 -26.503 -52.013 -13.390 1.00 0.00 H +ATOM 585 N ARG A 43 -28.482 -54.779 -11.790 1.00 53.57 N +ATOM 586 CA ARG A 43 -28.781 -56.088 -12.353 1.00 51.84 C +ATOM 587 C ARG A 43 -29.152 -55.894 -13.816 1.00 52.86 C +ATOM 588 O ARG A 43 -29.969 -55.031 -14.136 1.00 60.79 O +ATOM 589 CB ARG A 43 -29.934 -56.753 -11.590 1.00 50.44 C +ATOM 590 CG ARG A 43 -30.439 -58.083 -12.163 1.00 53.07 C +ATOM 591 CD ARG A 43 -31.747 -58.501 -11.470 1.00 59.87 C +ATOM 592 NE ARG A 43 -32.205 -59.844 -11.826 1.00 57.79 N +ATOM 593 CZ ARG A 43 -33.294 -60.420 -11.312 1.00 68.16 C +ATOM 594 NH1 ARG A 43 -33.641 -61.651 -11.674 1.00 54.37 N +ATOM 595 NH2 ARG A 43 -34.041 -59.765 -10.429 1.00 69.72 N1+ +ATOM 596 H ARG A 43 -29.251 -54.279 -11.369 1.00 0.00 H +ATOM 597 HA ARG A 43 -27.895 -56.719 -12.287 1.00 0.00 H +ATOM 598 HB3 ARG A 43 -30.767 -56.054 -11.516 1.00 0.00 H +ATOM 599 HB2 ARG A 43 -29.641 -56.898 -10.550 1.00 0.00 H +ATOM 600 HG3 ARG A 43 -29.684 -58.854 -12.009 1.00 0.00 H +ATOM 601 HG2 ARG A 43 -30.614 -57.974 -13.233 1.00 0.00 H +ATOM 602 HD3 ARG A 43 -32.528 -57.778 -11.706 1.00 0.00 H +ATOM 603 HD2 ARG A 43 -31.620 -58.437 -10.389 1.00 0.00 H +ATOM 604 HE ARG A 43 -31.643 -60.340 -12.503 1.00 0.00 H +ATOM 605 HH12 ARG A 43 -34.467 -62.079 -11.280 1.00 0.00 H +ATOM 606 HH11 ARG A 43 -33.079 -62.158 -12.343 1.00 0.00 H +ATOM 607 HH22 ARG A 43 -34.865 -60.202 -10.041 1.00 0.00 H +ATOM 608 HH21 ARG A 43 -33.785 -58.830 -10.146 1.00 0.00 H +ATOM 609 N PHE A 44 -28.543 -56.682 -14.698 1.00 52.58 N +ATOM 610 CA PHE A 44 -28.754 -56.563 -16.133 1.00 50.38 C +ATOM 611 C PHE A 44 -29.633 -57.698 -16.635 1.00 48.37 C +ATOM 612 O PHE A 44 -29.367 -58.870 -16.356 1.00 54.91 O +ATOM 613 CB PHE A 44 -27.428 -56.567 -16.889 1.00 47.50 C +ATOM 614 CG PHE A 44 -26.750 -55.230 -16.918 1.00 58.38 C +ATOM 615 CD1 PHE A 44 -26.090 -54.749 -15.796 1.00 58.42 C +ATOM 616 CE1 PHE A 44 -25.444 -53.522 -15.819 1.00 44.29 C +ATOM 617 CZ PHE A 44 -25.467 -52.757 -16.974 1.00 42.81 C +ATOM 618 CE2 PHE A 44 -26.122 -53.218 -18.093 1.00 45.22 C +ATOM 619 CD2 PHE A 44 -26.766 -54.452 -18.069 1.00 51.39 C +ATOM 620 H PHE A 44 -27.905 -57.398 -14.380 1.00 0.00 H +ATOM 621 HA PHE A 44 -29.262 -55.619 -16.331 1.00 0.00 H +ATOM 622 HB3 PHE A 44 -27.595 -56.910 -17.910 1.00 0.00 H +ATOM 623 HB2 PHE A 44 -26.759 -57.302 -16.442 1.00 0.00 H +ATOM 624 HD1 PHE A 44 -26.074 -55.332 -14.887 1.00 0.00 H +ATOM 625 HE1 PHE A 44 -24.927 -53.168 -14.940 1.00 0.00 H +ATOM 626 HZ PHE A 44 -24.971 -51.798 -16.997 1.00 0.00 H +ATOM 627 HE2 PHE A 44 -26.138 -52.622 -18.994 1.00 0.00 H +ATOM 628 HD2 PHE A 44 -27.280 -54.804 -18.951 1.00 0.00 H +ATOM 629 N GLN A 45 -30.675 -57.337 -17.382 1.00 41.69 N +ATOM 630 CA GLN A 45 -31.603 -58.277 -17.996 1.00 49.01 C +ATOM 631 C GLN A 45 -31.714 -57.871 -19.459 1.00 48.75 C +ATOM 632 O GLN A 45 -32.482 -56.972 -19.805 1.00 50.25 O +ATOM 633 CB GLN A 45 -32.973 -58.301 -17.282 1.00 48.57 C +ATOM 634 CG GLN A 45 -32.905 -58.482 -15.754 1.00 43.08 C +ATOM 635 CD GLN A 45 -34.287 -58.508 -15.074 1.00 50.56 C +ATOM 636 OE1 GLN A 45 -35.042 -59.480 -15.202 1.00 52.07 O +ATOM 637 NE2 GLN A 45 -34.630 -57.420 -14.387 1.00 43.89 N +ATOM 638 H GLN A 45 -30.860 -56.359 -17.552 1.00 0.00 H +ATOM 639 HA GLN A 45 -31.169 -59.275 -17.946 1.00 0.00 H +ATOM 640 HB3 GLN A 45 -33.590 -59.090 -17.712 1.00 0.00 H +ATOM 641 HB2 GLN A 45 -33.516 -57.385 -17.513 1.00 0.00 H +ATOM 642 HG3 GLN A 45 -32.304 -57.682 -15.321 1.00 0.00 H +ATOM 643 HG2 GLN A 45 -32.371 -59.403 -15.522 1.00 0.00 H +ATOM 644 HE22 GLN A 45 -35.524 -57.379 -13.920 1.00 0.00 H +ATOM 645 HE21 GLN A 45 -33.996 -56.636 -14.333 1.00 0.00 H +ATOM 646 N LEU A 46 -30.922 -58.510 -20.316 1.00 44.85 N +ATOM 647 CA LEU A 46 -30.899 -58.173 -21.732 1.00 51.33 C +ATOM 648 C LEU A 46 -31.539 -59.336 -22.473 1.00 51.33 C +ATOM 649 O LEU A 46 -30.920 -60.393 -22.655 1.00 51.01 O +ATOM 650 CB LEU A 46 -29.478 -57.873 -22.204 1.00 48.78 C +ATOM 651 CG LEU A 46 -28.866 -56.711 -21.395 1.00 53.93 C +ATOM 652 CD1 LEU A 46 -27.410 -56.516 -21.732 1.00 52.28 C +ATOM 653 CD2 LEU A 46 -29.625 -55.400 -21.606 1.00 48.62 C +ATOM 654 H LEU A 46 -30.317 -59.249 -19.989 1.00 0.00 H +ATOM 655 HA LEU A 46 -31.511 -57.284 -21.887 1.00 0.00 H +ATOM 656 HB3 LEU A 46 -29.495 -57.610 -23.262 1.00 0.00 H +ATOM 657 HB2 LEU A 46 -28.860 -58.763 -22.085 1.00 0.00 H +ATOM 658 HG LEU A 46 -28.932 -56.969 -20.338 1.00 0.00 H +ATOM 659 HD11 LEU A 46 -27.008 -55.690 -21.145 1.00 0.00 H +ATOM 660 HD12 LEU A 46 -26.858 -57.427 -21.501 1.00 0.00 H +ATOM 661 HD13 LEU A 46 -27.309 -56.290 -22.793 1.00 0.00 H +ATOM 662 HD21 LEU A 46 -29.158 -54.611 -21.017 1.00 0.00 H +ATOM 663 HD22 LEU A 46 -29.598 -55.130 -22.662 1.00 0.00 H +ATOM 664 HD23 LEU A 46 -30.661 -55.524 -21.290 1.00 0.00 H +ATOM 665 N ASN A 47 -32.793 -59.140 -22.879 1.00 49.01 N +ATOM 666 CA ASN A 47 -33.540 -60.179 -23.567 1.00 50.62 C +ATOM 667 C ASN A 47 -33.181 -60.151 -25.043 1.00 46.70 C +ATOM 668 O ASN A 47 -33.513 -59.202 -25.757 1.00 45.07 O +ATOM 669 CB ASN A 47 -35.042 -60.005 -23.378 1.00 46.13 C +ATOM 670 CG ASN A 47 -35.811 -61.214 -23.875 1.00 43.13 C +ATOM 671 OD1 ASN A 47 -35.569 -62.321 -23.423 1.00 49.79 O +ATOM 672 ND2 ASN A 47 -36.729 -61.006 -24.812 1.00 53.44 N +ATOM 673 H ASN A 47 -33.246 -58.253 -22.710 1.00 0.00 H +ATOM 674 HA ASN A 47 -33.248 -61.146 -23.157 1.00 0.00 H +ATOM 675 HB3 ASN A 47 -35.375 -59.117 -23.916 1.00 0.00 H +ATOM 676 HB2 ASN A 47 -35.259 -59.846 -22.322 1.00 0.00 H +ATOM 677 HD22 ASN A 47 -37.266 -61.781 -25.174 1.00 0.00 H +ATOM 678 HD21 ASN A 47 -36.890 -60.073 -25.163 1.00 0.00 H +ATOM 679 N VAL A 48 -32.538 -61.203 -25.515 1.00 46.67 N +ATOM 680 CA VAL A 48 -32.016 -61.231 -26.873 1.00 47.01 C +ATOM 681 C VAL A 48 -33.016 -61.967 -27.763 1.00 46.03 C +ATOM 682 O VAL A 48 -33.280 -63.159 -27.570 1.00 55.14 O +ATOM 683 CB VAL A 48 -30.617 -61.857 -26.893 1.00 48.72 C +ATOM 684 CG1 VAL A 48 -30.180 -62.204 -28.283 1.00 43.37 C +ATOM 685 CG2 VAL A 48 -29.636 -60.877 -26.260 1.00 47.28 C +ATOM 686 H VAL A 48 -32.398 -62.014 -24.930 1.00 0.00 H +ATOM 687 HA VAL A 48 -31.935 -60.204 -27.228 1.00 0.00 H +ATOM 688 HB VAL A 48 -30.634 -62.768 -26.295 1.00 0.00 H +ATOM 689 HG11 VAL A 48 -29.184 -62.645 -28.252 1.00 0.00 H +ATOM 690 HG12 VAL A 48 -30.880 -62.919 -28.717 1.00 0.00 H +ATOM 691 HG13 VAL A 48 -30.158 -61.301 -28.894 1.00 0.00 H +ATOM 692 HG21 VAL A 48 -28.635 -61.309 -26.267 1.00 0.00 H +ATOM 693 HG22 VAL A 48 -29.634 -59.947 -26.828 1.00 0.00 H +ATOM 694 HG23 VAL A 48 -29.937 -60.674 -25.232 1.00 0.00 H +ATOM 695 N ILE A 49 -33.588 -61.246 -28.725 1.00 49.25 N +ATOM 696 CA ILE A 49 -34.709 -61.712 -29.540 1.00 54.56 C +ATOM 697 C ILE A 49 -34.160 -61.983 -30.937 1.00 62.44 C +ATOM 698 O ILE A 49 -33.920 -61.050 -31.717 1.00 53.52 O +ATOM 699 CB ILE A 49 -35.854 -60.686 -29.562 1.00 61.13 C +ATOM 700 CG1 ILE A 49 -36.325 -60.385 -28.136 1.00 52.79 C +ATOM 701 CD1 ILE A 49 -37.481 -59.425 -28.039 1.00 49.51 C +ATOM 702 CG2 ILE A 49 -37.034 -61.150 -30.428 1.00 55.29 C +ATOM 703 H ILE A 49 -33.250 -60.316 -28.928 1.00 0.00 H +ATOM 704 HA ILE A 49 -35.083 -62.647 -29.122 1.00 0.00 H +ATOM 705 HB ILE A 49 -35.467 -59.761 -29.990 1.00 0.00 H +ATOM 706 HG13 ILE A 49 -35.488 -60.001 -27.553 1.00 0.00 H +ATOM 707 HG12 ILE A 49 -36.589 -61.318 -27.639 1.00 0.00 H +ATOM 708 HD11 ILE A 49 -37.742 -59.275 -26.991 1.00 0.00 H +ATOM 709 HD12 ILE A 49 -37.199 -58.470 -28.483 1.00 0.00 H +ATOM 710 HD13 ILE A 49 -38.339 -59.834 -28.572 1.00 0.00 H +ATOM 711 HG21 ILE A 49 -37.817 -60.392 -30.412 1.00 0.00 H +ATOM 712 HG22 ILE A 49 -36.696 -61.301 -31.453 1.00 0.00 H +ATOM 713 HG23 ILE A 49 -37.428 -62.087 -30.034 1.00 0.00 H +ATOM 714 N ASP A 50 -33.945 -63.262 -31.259 1.00 64.56 N +ATOM 715 CA ASP A 50 -33.346 -63.628 -32.537 1.00 61.37 C +ATOM 716 C ASP A 50 -34.424 -63.654 -33.605 1.00 56.08 C +ATOM 717 O ASP A 50 -35.352 -64.466 -33.535 1.00 74.73 O +ATOM 718 CB ASP A 50 -32.645 -64.980 -32.456 1.00 57.92 C +ATOM 719 CG ASP A 50 -31.716 -65.237 -33.645 1.00 62.12 C +ATOM 720 OD1 ASP A 50 -31.771 -64.487 -34.648 1.00 68.03 O +ATOM 721 OD2 ASP A 50 -30.921 -66.196 -33.577 1.00 66.24 O1- +ATOM 722 H ASP A 50 -34.199 -63.995 -30.612 1.00 0.00 H +ATOM 723 HA ASP A 50 -32.610 -62.870 -32.805 1.00 0.00 H +ATOM 724 HB3 ASP A 50 -33.392 -65.772 -32.402 1.00 0.00 H +ATOM 725 HB2 ASP A 50 -32.072 -65.036 -31.530 1.00 0.00 H +ATOM 726 N ASN A 51 -34.291 -62.773 -34.599 1.00 48.44 N +ATOM 727 CA ASN A 51 -35.222 -62.676 -35.719 1.00 51.75 C +ATOM 728 C ASN A 51 -34.482 -62.718 -37.046 1.00 51.34 C +ATOM 729 O ASN A 51 -34.978 -62.201 -38.042 1.00 49.81 O +ATOM 730 CB ASN A 51 -36.049 -61.394 -35.644 1.00 46.02 C +ATOM 731 CG ASN A 51 -37.293 -61.543 -34.795 1.00 49.48 C +ATOM 732 OD1 ASN A 51 -37.583 -62.763 -34.371 1.00 61.61 O +ATOM 733 ND2 ASN A 51 -37.991 -60.561 -34.531 1.00 52.65 N +ATOM 734 H ASN A 51 -33.514 -62.128 -34.601 1.00 0.00 H +ATOM 735 HA ASN A 51 -35.902 -63.527 -35.677 1.00 0.00 H +ATOM 736 HB3 ASN A 51 -36.332 -61.086 -36.651 1.00 0.00 H +ATOM 737 HB2 ASN A 51 -35.433 -60.588 -35.245 1.00 0.00 H +ATOM 738 HD22 ASN A 51 -38.820 -60.668 -33.964 1.00 0.00 H +ATOM 739 HD21 ASN A 51 -37.734 -59.650 -34.882 1.00 0.00 H +ATOM 740 N MET A 52 -33.289 -63.304 -37.067 1.00 48.14 N +ATOM 741 CA MET A 52 -32.469 -63.294 -38.263 1.00 49.38 C +ATOM 742 C MET A 52 -32.919 -64.371 -39.228 1.00 52.79 C +ATOM 743 O MET A 52 -33.295 -65.478 -38.839 1.00 56.36 O +ATOM 744 CB MET A 52 -30.988 -63.500 -37.926 1.00 50.58 C +ATOM 745 CG MET A 52 -30.422 -62.428 -37.031 1.00 52.83 C +ATOM 746 SD MET A 52 -28.638 -62.540 -36.788 1.00 50.65 S +ATOM 747 CE MET A 52 -28.061 -61.654 -38.202 1.00 58.87 C +ATOM 748 H MET A 52 -32.939 -63.767 -36.240 1.00 0.00 H +ATOM 749 HA MET A 52 -32.581 -62.325 -38.750 1.00 0.00 H +ATOM 750 HB3 MET A 52 -30.410 -63.543 -38.849 1.00 0.00 H +ATOM 751 HB2 MET A 52 -30.857 -64.473 -37.453 1.00 0.00 H +ATOM 752 HG3 MET A 52 -30.922 -62.465 -36.063 1.00 0.00 H +ATOM 753 HG2 MET A 52 -30.670 -61.448 -37.439 1.00 0.00 H +ATOM 754 HE1 MET A 52 -26.971 -61.633 -38.198 1.00 0.00 H +ATOM 755 HE2 MET A 52 -28.411 -62.148 -39.109 1.00 0.00 H +ATOM 756 HE3 MET A 52 -28.444 -60.634 -38.173 1.00 0.00 H +ATOM 757 N THR A 53 -32.841 -64.043 -40.506 1.00 60.47 N +ATOM 758 CA THR A 53 -33.190 -64.971 -41.563 1.00 57.46 C +ATOM 759 C THR A 53 -32.029 -65.277 -42.503 1.00 57.42 C +ATOM 760 O THR A 53 -32.224 -66.023 -43.468 1.00 62.67 O +ATOM 761 CB THR A 53 -34.368 -64.405 -42.365 1.00 50.20 C +ATOM 762 OG1 THR A 53 -34.023 -63.084 -42.795 1.00 46.59 O +ATOM 763 CG2 THR A 53 -35.656 -64.323 -41.490 1.00 41.71 C +ATOM 764 H THR A 53 -32.530 -63.120 -40.772 1.00 0.00 H +ATOM 765 HA THR A 53 -33.510 -65.906 -41.103 1.00 0.00 H +ATOM 766 HB THR A 53 -34.556 -65.035 -43.234 1.00 0.00 H +ATOM 767 HG1 THR A 53 -34.749 -62.711 -43.300 1.00 0.00 H +ATOM 768 HG21 THR A 53 -36.475 -63.918 -42.085 1.00 0.00 H +ATOM 769 HG22 THR A 53 -35.921 -65.320 -41.139 1.00 0.00 H +ATOM 770 HG23 THR A 53 -35.474 -63.673 -40.634 1.00 0.00 H +ATOM 771 N ASN A 54 -30.831 -64.747 -42.253 1.00 47.25 N +ATOM 772 CA ASN A 54 -29.777 -64.712 -43.262 1.00 52.14 C +ATOM 773 C ASN A 54 -28.712 -65.764 -42.924 1.00 56.06 C +ATOM 774 O ASN A 54 -28.049 -65.683 -41.886 1.00 65.04 O +ATOM 775 CB ASN A 54 -29.231 -63.274 -43.398 1.00 41.50 C +ATOM 776 CG ASN A 54 -28.169 -63.160 -44.487 1.00 59.00 C +ATOM 777 OD1 ASN A 54 -27.194 -63.922 -44.467 1.00 48.74 O +ATOM 778 ND2 ASN A 54 -28.403 -62.300 -45.523 1.00 62.89 N +ATOM 779 H ASN A 54 -30.632 -64.355 -41.344 1.00 0.00 H +ATOM 780 HA ASN A 54 -30.224 -64.988 -44.217 1.00 0.00 H +ATOM 781 HB3 ASN A 54 -28.809 -62.955 -42.445 1.00 0.00 H +ATOM 782 HB2 ASN A 54 -30.053 -62.594 -43.621 1.00 0.00 H +ATOM 783 HD22 ASN A 54 -27.720 -62.201 -46.261 1.00 0.00 H +ATOM 784 HD21 ASN A 54 -29.259 -61.764 -45.551 1.00 0.00 H +ATOM 785 N HIS A 55 -28.644 -66.804 -43.762 1.00 55.28 N +ATOM 786 CA HIS A 55 -27.821 -67.980 -43.483 1.00 49.84 C +ATOM 787 C HIS A 55 -26.338 -67.672 -43.635 1.00 52.37 C +ATOM 788 O HIS A 55 -25.515 -68.153 -42.848 1.00 52.72 O +ATOM 789 CB HIS A 55 -28.232 -69.127 -44.410 1.00 52.03 C +ATOM 790 CG HIS A 55 -27.649 -70.445 -44.023 1.00 60.29 C +ATOM 791 ND1 HIS A 55 -26.576 -71.122 -44.496 1.00 61.61 N1+ +ATOM 792 CE1 HIS A 55 -26.483 -72.287 -43.773 1.00 67.88 C +ATOM 793 NE2 HIS A 55 -27.463 -72.323 -42.888 1.00 73.12 N +ATOM 794 CD2 HIS A 55 -28.183 -71.223 -43.019 1.00 64.81 C +ATOM 795 H HIS A 55 -29.173 -66.795 -44.623 1.00 0.00 H +ATOM 796 HA HIS A 55 -28.003 -68.289 -42.454 1.00 0.00 H +ATOM 797 HB3 HIS A 55 -27.939 -68.888 -45.432 1.00 0.00 H +ATOM 798 HB2 HIS A 55 -29.319 -69.204 -44.430 1.00 0.00 H +ATOM 799 HD1 HIS A 55 -25.987 -70.706 -45.300 1.00 0.00 H +ATOM 800 HE1 HIS A 55 -25.822 -73.049 -43.826 1.00 0.00 H +ATOM 801 HD2 HIS A 55 -29.003 -70.910 -42.519 1.00 0.00 H +ATOM 802 HE2 HIS A 55 -27.731 -73.058 -42.143 1.00 0.00 H +ATOM 803 N THR A 56 -25.985 -66.845 -44.618 1.00 53.59 N +ATOM 804 CA THR A 56 -24.586 -66.486 -44.821 1.00 44.81 C +ATOM 805 C THR A 56 -23.978 -65.845 -43.579 1.00 54.31 C +ATOM 806 O THR A 56 -22.766 -65.941 -43.364 1.00 61.60 O +ATOM 807 CB THR A 56 -24.457 -65.549 -46.020 1.00 49.44 C +ATOM 808 OG1 THR A 56 -25.066 -66.160 -47.162 1.00 54.16 O +ATOM 809 CG2 THR A 56 -22.958 -65.258 -46.333 1.00 51.89 C +ATOM 810 H THR A 56 -26.689 -66.460 -45.231 1.00 0.00 H +ATOM 811 HA THR A 56 -24.030 -67.397 -45.040 1.00 0.00 H +ATOM 812 HB THR A 56 -24.967 -64.611 -45.800 1.00 0.00 H +ATOM 813 HG1 THR A 56 -24.988 -65.575 -47.919 1.00 0.00 H +ATOM 814 HG21 THR A 56 -22.889 -64.589 -47.190 1.00 0.00 H +ATOM 815 HG22 THR A 56 -22.490 -64.789 -45.468 1.00 0.00 H +ATOM 816 HG23 THR A 56 -22.446 -66.193 -46.560 1.00 0.00 H +ATOM 817 N MET A 57 -24.792 -65.198 -42.744 1.00 50.64 N +ATOM 818 CA MET A 57 -24.295 -64.586 -41.514 1.00 53.84 C +ATOM 819 C MET A 57 -24.809 -65.318 -40.280 1.00 57.19 C +ATOM 820 O MET A 57 -24.670 -64.807 -39.164 1.00 57.89 O +ATOM 821 CB MET A 57 -24.664 -63.097 -41.473 1.00 53.97 C +ATOM 822 CG MET A 57 -24.235 -62.315 -42.724 1.00 61.07 C +ATOM 823 SD MET A 57 -24.669 -60.544 -42.749 1.00 61.46 S +ATOM 824 CE MET A 57 -26.396 -60.599 -43.198 1.00 57.27 C +ATOM 825 H MET A 57 -25.777 -65.123 -42.956 1.00 0.00 H +ATOM 826 HA MET A 57 -23.208 -64.661 -41.519 1.00 0.00 H +ATOM 827 HB3 MET A 57 -24.219 -62.639 -40.590 1.00 0.00 H +ATOM 828 HB2 MET A 57 -25.740 -62.995 -41.334 1.00 0.00 H +ATOM 829 HG3 MET A 57 -24.647 -62.799 -43.609 1.00 0.00 H +ATOM 830 HG2 MET A 57 -23.160 -62.424 -42.865 1.00 0.00 H +ATOM 831 HE1 MET A 57 -26.791 -59.584 -43.250 1.00 0.00 H +ATOM 832 HE2 MET A 57 -26.504 -61.081 -44.170 1.00 0.00 H +ATOM 833 HE3 MET A 57 -26.949 -61.165 -42.449 1.00 0.00 H +ATOM 834 N LEU A 58 -25.397 -66.507 -40.477 1.00 52.75 N +ATOM 835 CA LEU A 58 -25.950 -67.415 -39.472 1.00 60.52 C +ATOM 836 C LEU A 58 -27.240 -66.866 -38.882 1.00 51.39 C +ATOM 837 O LEU A 58 -27.262 -65.742 -38.374 1.00 52.58 O +ATOM 838 CB LEU A 58 -24.933 -67.720 -38.358 1.00 54.95 C +ATOM 839 CG LEU A 58 -23.769 -68.669 -38.703 1.00 56.39 C +ATOM 840 CD1 LEU A 58 -22.417 -68.113 -38.240 1.00 53.99 C +ATOM 841 CD2 LEU A 58 -23.718 -69.021 -40.182 1.00 49.50 C +ATOM 842 H LEU A 58 -25.498 -66.871 -41.414 1.00 0.00 H +ATOM 843 HA LEU A 58 -26.187 -68.355 -39.970 1.00 0.00 H +ATOM 844 HB3 LEU A 58 -25.462 -68.104 -37.486 1.00 0.00 H +ATOM 845 HB2 LEU A 58 -24.529 -66.783 -37.975 1.00 0.00 H +ATOM 846 HG LEU A 58 -23.939 -69.597 -38.157 1.00 0.00 H +ATOM 847 HD11 LEU A 58 -21.626 -68.814 -38.504 1.00 0.00 H +ATOM 848 HD12 LEU A 58 -22.231 -67.156 -38.727 1.00 0.00 H +ATOM 849 HD13 LEU A 58 -22.432 -67.973 -37.159 1.00 0.00 H +ATOM 850 HD21 LEU A 58 -22.879 -69.692 -40.368 1.00 0.00 H +ATOM 851 HD22 LEU A 58 -24.647 -69.513 -40.471 1.00 0.00 H +ATOM 852 HD23 LEU A 58 -23.592 -68.111 -40.768 1.00 0.00 H +ATOM 853 N LYS A 59 -28.315 -67.664 -38.933 1.00 49.72 N +ATOM 854 CA LYS A 59 -29.584 -67.246 -38.342 1.00 52.44 C +ATOM 855 C LYS A 59 -29.545 -67.272 -36.820 1.00 45.43 C +ATOM 856 O LYS A 59 -30.301 -66.535 -36.183 1.00 44.24 O +ATOM 857 CB LYS A 59 -30.746 -68.124 -38.846 1.00 50.42 C +ATOM 858 CG LYS A 59 -31.000 -68.129 -40.367 1.00 55.82 C +ATOM 859 CD LYS A 59 -32.243 -69.019 -40.715 1.00 48.37 C +ATOM 860 CE LYS A 59 -32.303 -69.375 -42.221 1.00 56.75 C +ATOM 861 NZ LYS A 59 -33.598 -70.032 -42.666 1.00 46.59 N1+ +ATOM 862 H LYS A 59 -28.254 -68.566 -39.384 1.00 0.00 H +ATOM 863 HA LYS A 59 -29.778 -66.220 -38.655 1.00 0.00 H +ATOM 864 HB3 LYS A 59 -31.662 -67.837 -38.330 1.00 0.00 H +ATOM 865 HB2 LYS A 59 -30.597 -69.148 -38.504 1.00 0.00 H +ATOM 866 HG3 LYS A 59 -30.120 -68.517 -40.881 1.00 0.00 H +ATOM 867 HG2 LYS A 59 -31.177 -67.109 -40.709 1.00 0.00 H +ATOM 868 HD3 LYS A 59 -33.155 -68.495 -40.430 1.00 0.00 H +ATOM 869 HD2 LYS A 59 -32.208 -69.936 -40.127 1.00 0.00 H +ATOM 870 HE3 LYS A 59 -31.464 -70.024 -42.472 1.00 0.00 H +ATOM 871 HE2 LYS A 59 -32.134 -68.475 -42.812 1.00 0.00 H +ATOM 872 HZ1 LYS A 59 -34.372 -69.410 -42.482 1.00 0.00 H +ATOM 873 HZ2 LYS A 59 -33.554 -70.229 -43.655 1.00 0.00 H +ATOM 874 HZ3 LYS A 59 -33.731 -70.894 -42.157 1.00 0.00 H +ATOM 875 N SER A 60 -28.683 -68.091 -36.227 1.00 52.58 N +ATOM 876 CA SER A 60 -28.590 -68.241 -34.784 1.00 50.79 C +ATOM 877 C SER A 60 -27.624 -67.200 -34.238 1.00 57.64 C +ATOM 878 O SER A 60 -26.815 -66.640 -34.981 1.00 49.17 O +ATOM 879 CB SER A 60 -28.103 -69.645 -34.410 1.00 50.32 C +ATOM 880 OG SER A 60 -28.497 -70.624 -35.356 1.00 60.64 O +ATOM 881 H SER A 60 -28.050 -68.648 -36.784 1.00 0.00 H +ATOM 882 HA SER A 60 -29.574 -68.077 -34.345 1.00 0.00 H +ATOM 883 HB3 SER A 60 -28.491 -69.913 -33.428 1.00 0.00 H +ATOM 884 HB2 SER A 60 -27.016 -69.641 -34.324 1.00 0.00 H +ATOM 885 HG SER A 60 -29.230 -71.134 -35.003 1.00 0.00 H +ATOM 886 N THR A 61 -27.712 -66.938 -32.930 1.00 46.81 N +ATOM 887 CA THR A 61 -26.735 -66.045 -32.326 1.00 53.62 C +ATOM 888 C THR A 61 -26.561 -66.347 -30.840 1.00 62.96 C +ATOM 889 O THR A 61 -27.405 -66.982 -30.203 1.00 53.36 O +ATOM 890 CB THR A 61 -27.125 -64.574 -32.530 1.00 55.90 C +ATOM 891 OG1 THR A 61 -26.024 -63.739 -32.165 1.00 61.26 O +ATOM 892 CG2 THR A 61 -28.327 -64.203 -31.685 1.00 47.85 C +ATOM 893 H THR A 61 -28.447 -67.358 -32.379 1.00 0.00 H +ATOM 894 HA THR A 61 -25.777 -66.211 -32.818 1.00 0.00 H +ATOM 895 HB THR A 61 -27.364 -64.411 -33.581 1.00 0.00 H +ATOM 896 HG1 THR A 61 -25.465 -63.592 -32.931 1.00 0.00 H +ATOM 897 HG21 THR A 61 -28.579 -63.156 -31.851 1.00 0.00 H +ATOM 898 HG22 THR A 61 -29.175 -64.829 -31.964 1.00 0.00 H +ATOM 899 HG23 THR A 61 -28.093 -64.357 -30.632 1.00 0.00 H +ATOM 900 N SER A 62 -25.429 -65.897 -30.300 1.00 65.30 N +ATOM 901 CA SER A 62 -25.266 -65.749 -28.863 1.00 63.64 C +ATOM 902 C SER A 62 -24.345 -64.562 -28.624 1.00 62.39 C +ATOM 903 O SER A 62 -23.487 -64.244 -29.458 1.00 51.90 O +ATOM 904 CB SER A 62 -24.729 -67.022 -28.187 1.00 55.66 C +ATOM 905 OG SER A 62 -23.478 -67.397 -28.714 1.00 69.76 O +ATOM 906 H SER A 62 -24.651 -65.647 -30.893 1.00 0.00 H +ATOM 907 HA SER A 62 -26.240 -65.518 -28.431 1.00 0.00 H +ATOM 908 HB3 SER A 62 -25.441 -67.835 -28.328 1.00 0.00 H +ATOM 909 HB2 SER A 62 -24.634 -66.851 -27.115 1.00 0.00 H +ATOM 910 HG SER A 62 -22.778 -67.007 -28.185 1.00 0.00 H +ATOM 911 N ILE A 63 -24.551 -63.904 -27.483 1.00 54.12 N +ATOM 912 CA ILE A 63 -23.924 -62.626 -27.159 1.00 46.39 C +ATOM 913 C ILE A 63 -23.055 -62.797 -25.932 1.00 57.42 C +ATOM 914 O ILE A 63 -23.530 -63.272 -24.892 1.00 55.35 O +ATOM 915 CB ILE A 63 -24.955 -61.530 -26.865 1.00 48.99 C +ATOM 916 CG1 ILE A 63 -26.077 -61.558 -27.890 1.00 52.29 C +ATOM 917 CD1 ILE A 63 -25.596 -61.342 -29.275 1.00 61.11 C +ATOM 918 CG2 ILE A 63 -24.239 -60.185 -26.815 1.00 45.65 C +ATOM 919 H ILE A 63 -25.171 -64.287 -26.784 1.00 0.00 H +ATOM 920 HA ILE A 63 -23.300 -62.313 -27.996 1.00 0.00 H +ATOM 921 HB ILE A 63 -25.386 -61.723 -25.883 1.00 0.00 H +ATOM 922 HG13 ILE A 63 -26.815 -60.796 -27.640 1.00 0.00 H +ATOM 923 HG12 ILE A 63 -26.597 -62.514 -27.832 1.00 0.00 H +ATOM 924 HD11 ILE A 63 -26.441 -61.373 -29.963 1.00 0.00 H +ATOM 925 HD12 ILE A 63 -25.108 -60.370 -29.343 1.00 0.00 H +ATOM 926 HD13 ILE A 63 -24.885 -62.125 -29.539 1.00 0.00 H +ATOM 927 HG21 ILE A 63 -24.961 -59.396 -26.606 1.00 0.00 H +ATOM 928 HG22 ILE A 63 -23.485 -60.203 -26.028 1.00 0.00 H +ATOM 929 HG23 ILE A 63 -23.758 -59.993 -27.774 1.00 0.00 H +ATOM 930 N HIS A 64 -21.810 -62.360 -26.036 1.00 48.07 N +ATOM 931 CA HIS A 64 -20.905 -62.277 -24.905 1.00 54.59 C +ATOM 932 C HIS A 64 -20.835 -60.835 -24.401 1.00 53.29 C +ATOM 933 O HIS A 64 -20.888 -59.888 -25.192 1.00 43.86 O +ATOM 934 CB HIS A 64 -19.532 -62.795 -25.323 1.00 56.08 C +ATOM 935 CG HIS A 64 -18.420 -62.375 -24.426 1.00 59.60 C +ATOM 936 ND1 HIS A 64 -18.442 -62.586 -23.065 1.00 59.25 N +ATOM 937 CE1 HIS A 64 -17.326 -62.117 -22.535 1.00 55.06 C +ATOM 938 NE2 HIS A 64 -16.583 -61.613 -23.503 1.00 54.14 N +ATOM 939 CD2 HIS A 64 -17.242 -61.765 -24.697 1.00 53.31 C +ATOM 940 H HIS A 64 -21.451 -62.066 -26.933 1.00 0.00 H +ATOM 941 HA HIS A 64 -21.288 -62.909 -24.104 1.00 0.00 H +ATOM 942 HB3 HIS A 64 -19.318 -62.469 -26.341 1.00 0.00 H +ATOM 943 HB2 HIS A 64 -19.559 -63.883 -25.380 1.00 0.00 H +ATOM 944 HD1 HIS A 64 -19.237 -63.039 -22.637 1.00 0.00 H +ATOM 945 HE1 HIS A 64 -17.161 -62.191 -21.470 1.00 0.00 H +ATOM 946 HD2 HIS A 64 -16.992 -61.501 -25.714 1.00 0.00 H +ATOM 947 N TRP A 65 -20.743 -60.665 -23.083 1.00 45.23 N +ATOM 948 CA TRP A 65 -20.766 -59.332 -22.457 1.00 49.80 C +ATOM 949 C TRP A 65 -19.344 -59.013 -21.998 1.00 46.55 C +ATOM 950 O TRP A 65 -18.965 -59.256 -20.852 1.00 55.65 O +ATOM 951 CB TRP A 65 -21.799 -59.298 -21.327 1.00 49.05 C +ATOM 952 CG TRP A 65 -23.058 -59.930 -21.822 1.00 45.13 C +ATOM 953 CD1 TRP A 65 -23.469 -61.226 -21.636 1.00 44.06 C +ATOM 954 NE1 TRP A 65 -24.656 -61.442 -22.303 1.00 45.09 N +ATOM 955 CE2 TRP A 65 -25.020 -60.285 -22.944 1.00 47.03 C +ATOM 956 CD2 TRP A 65 -24.030 -59.317 -22.672 1.00 45.29 C +ATOM 957 CE3 TRP A 65 -24.176 -58.033 -23.206 1.00 48.76 C +ATOM 958 CZ3 TRP A 65 -25.282 -57.759 -23.978 1.00 44.04 C +ATOM 959 CH2 TRP A 65 -26.247 -58.741 -24.234 1.00 52.45 C +ATOM 960 CZ2 TRP A 65 -26.134 -60.008 -23.732 1.00 45.95 C +ATOM 961 H TRP A 65 -20.654 -61.467 -22.475 1.00 0.00 H +ATOM 962 HA TRP A 65 -21.057 -58.601 -23.212 1.00 0.00 H +ATOM 963 HB3 TRP A 65 -21.998 -58.263 -21.048 1.00 0.00 H +ATOM 964 HB2 TRP A 65 -21.422 -59.861 -20.473 1.00 0.00 H +ATOM 965 HD1 TRP A 65 -22.876 -61.900 -21.036 1.00 0.00 H +ATOM 966 HE1 TRP A 65 -25.102 -62.347 -22.260 1.00 0.00 H +ATOM 967 HE3 TRP A 65 -23.429 -57.278 -23.010 1.00 0.00 H +ATOM 968 HZ3 TRP A 65 -25.417 -56.773 -24.398 1.00 0.00 H +ATOM 969 HH2 TRP A 65 -27.108 -58.506 -24.842 1.00 0.00 H +ATOM 970 HZ2 TRP A 65 -26.865 -60.780 -23.924 1.00 0.00 H +ATOM 971 N HIS A 66 -18.569 -58.436 -22.907 1.00 54.04 N +ATOM 972 CA HIS A 66 -17.120 -58.557 -22.848 1.00 49.22 C +ATOM 973 C HIS A 66 -16.556 -57.836 -21.638 1.00 50.23 C +ATOM 974 O HIS A 66 -16.665 -56.608 -21.521 1.00 51.12 O +ATOM 975 CB HIS A 66 -16.495 -58.015 -24.123 1.00 53.68 C +ATOM 976 CG HIS A 66 -15.016 -58.198 -24.174 1.00 48.13 C +ATOM 977 ND1 HIS A 66 -14.243 -58.923 -25.012 1.00 40.24 N +ATOM 978 CE1 HIS A 66 -12.941 -58.741 -24.616 1.00 51.19 C +ATOM 979 NE2 HIS A 66 -12.918 -57.948 -23.557 1.00 56.04 N +ATOM 980 CD2 HIS A 66 -14.159 -57.604 -23.266 1.00 43.96 C +ATOM 981 H HIS A 66 -18.983 -57.901 -23.657 1.00 0.00 H +ATOM 982 HA HIS A 66 -16.868 -59.614 -22.765 1.00 0.00 H +ATOM 983 HB3 HIS A 66 -16.732 -56.956 -24.220 1.00 0.00 H +ATOM 984 HB2 HIS A 66 -16.950 -58.503 -24.985 1.00 0.00 H +ATOM 985 HE1 HIS A 66 -12.077 -59.102 -24.995 1.00 0.00 H +ATOM 986 HD2 HIS A 66 -14.529 -57.016 -22.532 1.00 0.00 H +ATOM 987 HE2 HIS A 66 -12.100 -57.579 -22.956 1.00 0.00 H +ATOM 988 N GLY A 67 -15.915 -58.601 -20.756 1.00 44.15 N +ATOM 989 CA GLY A 67 -15.278 -58.078 -19.572 1.00 41.31 C +ATOM 990 C GLY A 67 -16.005 -58.435 -18.291 1.00 48.28 C +ATOM 991 O GLY A 67 -15.358 -58.616 -17.258 1.00 47.47 O +ATOM 992 H GLY A 67 -15.858 -59.599 -20.900 1.00 0.00 H +ATOM 993 HA3 GLY A 67 -15.198 -56.994 -19.653 1.00 0.00 H +ATOM 994 HA2 GLY A 67 -14.253 -58.445 -19.521 1.00 0.00 H +ATOM 995 N PHE A 68 -17.334 -58.561 -18.344 1.00 54.09 N +ATOM 996 CA PHE A 68 -18.108 -58.831 -17.139 1.00 53.70 C +ATOM 997 C PHE A 68 -17.735 -60.196 -16.578 1.00 51.32 C +ATOM 998 O PHE A 68 -17.500 -61.149 -17.328 1.00 48.69 O +ATOM 999 CB PHE A 68 -19.611 -58.760 -17.438 1.00 54.78 C +ATOM 1000 CG PHE A 68 -20.115 -57.362 -17.719 1.00 66.29 C +ATOM 1001 CD1 PHE A 68 -21.383 -57.160 -18.248 1.00 61.82 C +ATOM 1002 CE1 PHE A 68 -21.850 -55.883 -18.510 1.00 47.93 C +ATOM 1003 CZ PHE A 68 -21.048 -54.783 -18.235 1.00 54.99 C +ATOM 1004 CE2 PHE A 68 -19.790 -54.965 -17.705 1.00 53.34 C +ATOM 1005 CD2 PHE A 68 -19.323 -56.249 -17.452 1.00 62.09 C +ATOM 1006 H PHE A 68 -17.815 -58.469 -19.227 1.00 0.00 H +ATOM 1007 HA PHE A 68 -17.866 -58.072 -16.395 1.00 0.00 H +ATOM 1008 HB3 PHE A 68 -20.166 -59.183 -16.601 1.00 0.00 H +ATOM 1009 HB2 PHE A 68 -19.842 -59.405 -18.286 1.00 0.00 H +ATOM 1010 HD1 PHE A 68 -22.020 -58.006 -18.461 1.00 0.00 H +ATOM 1011 HE1 PHE A 68 -22.836 -55.744 -18.927 1.00 0.00 H +ATOM 1012 HZ PHE A 68 -21.411 -53.786 -18.437 1.00 0.00 H +ATOM 1013 HE2 PHE A 68 -19.167 -54.110 -17.486 1.00 0.00 H +ATOM 1014 HD2 PHE A 68 -18.332 -56.377 -17.043 1.00 0.00 H +ATOM 1015 N PHE A 69 -17.678 -60.278 -15.245 1.00 49.49 N +ATOM 1016 CA PHE A 69 -17.117 -61.436 -14.548 1.00 52.58 C +ATOM 1017 C PHE A 69 -18.063 -62.624 -14.526 1.00 54.27 C +ATOM 1018 O PHE A 69 -17.609 -63.774 -14.490 1.00 49.39 O +ATOM 1019 CB PHE A 69 -16.761 -61.061 -13.104 1.00 52.47 C +ATOM 1020 CG PHE A 69 -15.503 -60.260 -12.983 1.00 49.16 C +ATOM 1021 CD1 PHE A 69 -14.474 -60.424 -13.908 1.00 51.00 C +ATOM 1022 CE1 PHE A 69 -13.303 -59.687 -13.807 1.00 50.91 C +ATOM 1023 CZ PHE A 69 -13.151 -58.776 -12.782 1.00 45.92 C +ATOM 1024 CE2 PHE A 69 -14.170 -58.607 -11.850 1.00 51.54 C +ATOM 1025 CD2 PHE A 69 -15.343 -59.353 -11.959 1.00 46.13 C +ATOM 1026 H PHE A 69 -18.031 -59.521 -14.677 1.00 0.00 H +ATOM 1027 HA PHE A 69 -16.203 -61.735 -15.060 1.00 0.00 H +ATOM 1028 HB3 PHE A 69 -16.671 -61.968 -12.507 1.00 0.00 H +ATOM 1029 HB2 PHE A 69 -17.587 -60.506 -12.660 1.00 0.00 H +ATOM 1030 HD1 PHE A 69 -14.582 -61.132 -14.716 1.00 0.00 H +ATOM 1031 HE1 PHE A 69 -12.513 -59.827 -14.530 1.00 0.00 H +ATOM 1032 HZ PHE A 69 -12.243 -58.197 -12.705 1.00 0.00 H +ATOM 1033 HE2 PHE A 69 -14.052 -57.899 -11.043 1.00 0.00 H +ATOM 1034 HD2 PHE A 69 -16.130 -59.215 -11.232 1.00 0.00 H +ATOM 1035 N GLN A 70 -19.366 -62.363 -14.487 1.00 56.24 N +ATOM 1036 CA GLN A 70 -20.381 -63.412 -14.548 1.00 60.91 C +ATOM 1037 C GLN A 70 -20.268 -64.404 -13.381 1.00 46.22 C +ATOM 1038 O GLN A 70 -20.667 -65.567 -13.508 1.00 50.58 O +ATOM 1039 CB GLN A 70 -20.331 -64.136 -15.910 1.00 47.43 C +ATOM 1040 CG GLN A 70 -20.542 -63.226 -17.128 1.00 46.77 C +ATOM 1041 CD GLN A 70 -22.001 -62.725 -17.246 1.00 56.46 C +ATOM 1042 OE1 GLN A 70 -22.831 -63.101 -16.265 1.00 53.91 O +ATOM 1043 NE2 GLN A 70 -22.370 -62.041 -18.199 1.00 52.96 N +ATOM 1044 H GLN A 70 -19.688 -61.409 -14.412 1.00 0.00 H +ATOM 1045 HA GLN A 70 -21.355 -62.928 -14.472 1.00 0.00 H +ATOM 1046 HB3 GLN A 70 -21.074 -64.933 -15.922 1.00 0.00 H +ATOM 1047 HB2 GLN A 70 -19.377 -64.655 -16.008 1.00 0.00 H +ATOM 1048 HG3 GLN A 70 -20.270 -63.766 -18.035 1.00 0.00 H +ATOM 1049 HG2 GLN A 70 -19.869 -62.371 -17.062 1.00 0.00 H +ATOM 1050 HE22 GLN A 70 -23.328 -61.726 -18.254 1.00 0.00 H +ATOM 1051 HE21 GLN A 70 -21.715 -61.794 -18.927 1.00 0.00 H +ATOM 1052 N ALA A 71 -19.737 -63.960 -12.236 1.00 46.37 N +ATOM 1053 CA ALA A 71 -19.643 -64.835 -11.059 1.00 46.38 C +ATOM 1054 C ALA A 71 -21.004 -65.446 -10.743 1.00 47.13 C +ATOM 1055 O ALA A 71 -22.007 -64.738 -10.607 1.00 48.68 O +ATOM 1056 CB ALA A 71 -19.111 -64.063 -9.846 1.00 51.84 C +ATOM 1057 H ALA A 71 -19.394 -63.012 -12.172 1.00 0.00 H +ATOM 1058 HA ALA A 71 -18.947 -65.643 -11.285 1.00 0.00 H +ATOM 1059 HB1 ALA A 71 -19.050 -64.732 -8.987 1.00 0.00 H +ATOM 1060 HB2 ALA A 71 -18.119 -63.670 -10.071 1.00 0.00 H +ATOM 1061 HB3 ALA A 71 -19.785 -63.237 -9.616 1.00 0.00 H +ATOM 1062 N GLY A 72 -21.048 -66.773 -10.694 1.00 47.05 N +ATOM 1063 CA GLY A 72 -22.293 -67.471 -10.466 1.00 40.97 C +ATOM 1064 C GLY A 72 -23.243 -67.534 -11.651 1.00 51.94 C +ATOM 1065 O GLY A 72 -24.300 -68.163 -11.537 1.00 49.86 O +ATOM 1066 H GLY A 72 -20.202 -67.311 -10.817 1.00 0.00 H +ATOM 1067 HA3 GLY A 72 -22.807 -67.022 -9.616 1.00 0.00 H +ATOM 1068 HA2 GLY A 72 -22.080 -68.483 -10.121 1.00 0.00 H +ATOM 1069 N THR A 73 -22.919 -66.906 -12.778 1.00 55.57 N +ATOM 1070 CA THR A 73 -23.775 -66.914 -13.962 1.00 58.31 C +ATOM 1071 C THR A 73 -22.957 -67.247 -15.204 1.00 60.87 C +ATOM 1072 O THR A 73 -23.102 -66.623 -16.262 1.00 63.41 O +ATOM 1073 CB THR A 73 -24.504 -65.581 -14.136 1.00 56.20 C +ATOM 1074 OG1 THR A 73 -23.568 -64.501 -14.092 1.00 53.64 O +ATOM 1075 CG2 THR A 73 -25.526 -65.378 -13.044 1.00 51.25 C +ATOM 1076 H THR A 73 -22.049 -66.396 -12.840 1.00 0.00 H +ATOM 1077 HA THR A 73 -24.525 -67.695 -13.832 1.00 0.00 H +ATOM 1078 HB THR A 73 -25.009 -65.575 -15.102 1.00 0.00 H +ATOM 1079 HG1 THR A 73 -23.301 -64.272 -14.985 1.00 0.00 H +ATOM 1080 HG21 THR A 73 -26.030 -64.423 -13.191 1.00 0.00 H +ATOM 1081 HG22 THR A 73 -26.259 -66.184 -13.077 1.00 0.00 H +ATOM 1082 HG23 THR A 73 -25.028 -65.380 -12.074 1.00 0.00 H +ATOM 1083 N ASN A 74 -22.081 -68.246 -15.080 1.00 47.96 N +ATOM 1084 CA ASN A 74 -21.251 -68.668 -16.199 1.00 47.12 C +ATOM 1085 C ASN A 74 -22.098 -69.022 -17.416 1.00 48.84 C +ATOM 1086 O ASN A 74 -21.696 -68.753 -18.551 1.00 51.56 O +ATOM 1087 CB ASN A 74 -20.382 -69.846 -15.755 1.00 52.47 C +ATOM 1088 CG ASN A 74 -19.450 -70.326 -16.833 1.00 55.64 C +ATOM 1089 OD1 ASN A 74 -19.780 -71.248 -17.578 1.00 58.37 O +ATOM 1090 ND2 ASN A 74 -18.264 -69.723 -16.912 1.00 58.13 N +ATOM 1091 H ASN A 74 -21.984 -68.726 -14.197 1.00 0.00 H +ATOM 1092 HA ASN A 74 -20.594 -67.841 -16.468 1.00 0.00 H +ATOM 1093 HB3 ASN A 74 -21.022 -70.669 -15.437 1.00 0.00 H +ATOM 1094 HB2 ASN A 74 -19.803 -69.558 -14.877 1.00 0.00 H +ATOM 1095 HD22 ASN A 74 -17.599 -70.006 -17.618 1.00 0.00 H +ATOM 1096 HD21 ASN A 74 -18.030 -68.983 -16.266 1.00 0.00 H +ATOM 1097 N TRP A 75 -23.295 -69.574 -17.204 1.00 45.87 N +ATOM 1098 CA TRP A 75 -24.201 -69.840 -18.320 1.00 45.19 C +ATOM 1099 C TRP A 75 -24.520 -68.596 -19.145 1.00 49.38 C +ATOM 1100 O TRP A 75 -25.033 -68.722 -20.264 1.00 42.16 O +ATOM 1101 CB TRP A 75 -25.510 -70.441 -17.808 1.00 41.45 C +ATOM 1102 CG TRP A 75 -26.251 -69.544 -16.870 1.00 48.12 C +ATOM 1103 CD1 TRP A 75 -26.195 -69.558 -15.497 1.00 42.82 C +ATOM 1104 NE1 TRP A 75 -27.026 -68.587 -14.983 1.00 45.11 N +ATOM 1105 CE2 TRP A 75 -27.621 -67.913 -16.018 1.00 44.69 C +ATOM 1106 CD2 TRP A 75 -27.160 -68.489 -17.223 1.00 44.07 C +ATOM 1107 CE3 TRP A 75 -27.630 -67.977 -18.439 1.00 49.16 C +ATOM 1108 CZ3 TRP A 75 -28.533 -66.921 -18.418 1.00 42.53 C +ATOM 1109 CH2 TRP A 75 -28.969 -66.366 -17.201 1.00 44.18 C +ATOM 1110 CZ2 TRP A 75 -28.521 -66.843 -15.995 1.00 46.38 C +ATOM 1111 H TRP A 75 -23.582 -69.812 -16.265 1.00 0.00 H +ATOM 1112 HA TRP A 75 -23.726 -70.570 -18.976 1.00 0.00 H +ATOM 1113 HB3 TRP A 75 -25.303 -71.390 -17.313 1.00 0.00 H +ATOM 1114 HB2 TRP A 75 -26.151 -70.687 -18.655 1.00 0.00 H +ATOM 1115 HD1 TRP A 75 -25.559 -70.268 -14.990 1.00 0.00 H +ATOM 1116 HE1 TRP A 75 -27.111 -68.473 -13.983 1.00 0.00 H +ATOM 1117 HE3 TRP A 75 -27.290 -68.403 -19.372 1.00 0.00 H +ATOM 1118 HZ3 TRP A 75 -28.910 -66.515 -19.345 1.00 0.00 H +ATOM 1119 HH2 TRP A 75 -29.672 -65.546 -17.203 1.00 0.00 H +ATOM 1120 HZ2 TRP A 75 -28.838 -66.424 -15.051 1.00 0.00 H +ATOM 1121 N ALA A 76 -24.248 -67.403 -18.622 1.00 52.00 N +ATOM 1122 CA ALA A 76 -24.658 -66.173 -19.280 1.00 50.27 C +ATOM 1123 C ALA A 76 -23.539 -65.521 -20.064 1.00 55.65 C +ATOM 1124 O ALA A 76 -23.744 -64.433 -20.611 1.00 62.76 O +ATOM 1125 CB ALA A 76 -25.197 -65.176 -18.252 1.00 52.46 C +ATOM 1126 H ALA A 76 -23.746 -67.337 -17.748 1.00 0.00 H +ATOM 1127 HA ALA A 76 -25.463 -66.412 -19.974 1.00 0.00 H +ATOM 1128 HB1 ALA A 76 -25.500 -64.260 -18.758 1.00 0.00 H +ATOM 1129 HB2 ALA A 76 -26.056 -65.610 -17.741 1.00 0.00 H +ATOM 1130 HB3 ALA A 76 -24.419 -64.948 -17.524 1.00 0.00 H +ATOM 1131 N ASP A 77 -22.371 -66.160 -20.143 1.00 58.67 N +ATOM 1132 CA ASP A 77 -21.173 -65.464 -20.598 1.00 52.37 C +ATOM 1133 C ASP A 77 -21.125 -65.291 -22.114 1.00 55.34 C +ATOM 1134 O ASP A 77 -20.529 -64.322 -22.592 1.00 61.22 O +ATOM 1135 CB ASP A 77 -19.914 -66.193 -20.113 1.00 56.00 C +ATOM 1136 CG ASP A 77 -18.658 -65.354 -20.291 1.00 56.24 C +ATOM 1137 OD1 ASP A 77 -17.610 -65.918 -20.655 1.00 57.97 O +ATOM 1138 OD2 ASP A 77 -18.724 -64.124 -20.080 1.00 71.86 O1- +ATOM 1139 H ASP A 77 -22.310 -67.135 -19.886 1.00 0.00 H +ATOM 1140 HA ASP A 77 -21.175 -64.470 -20.150 1.00 0.00 H +ATOM 1141 HB3 ASP A 77 -19.805 -67.130 -20.659 1.00 0.00 H +ATOM 1142 HB2 ASP A 77 -20.029 -66.454 -19.061 1.00 0.00 H +ATOM 1143 N GLY A 78 -21.717 -66.196 -22.893 1.00 55.90 N +ATOM 1144 CA GLY A 78 -21.832 -65.946 -24.315 1.00 65.63 C +ATOM 1145 C GLY A 78 -21.306 -66.981 -25.303 1.00 51.38 C +ATOM 1146 O GLY A 78 -22.017 -67.350 -26.235 1.00 52.10 O +ATOM 1147 H GLY A 78 -22.081 -67.048 -22.491 1.00 0.00 H +ATOM 1148 HA3 GLY A 78 -21.384 -64.979 -24.543 1.00 0.00 H +ATOM 1149 HA2 GLY A 78 -22.872 -65.724 -24.553 1.00 0.00 H +ATOM 1150 N PRO A 79 -20.056 -67.437 -25.152 1.00 52.30 N +ATOM 1151 CA PRO A 79 -19.418 -68.249 -26.211 1.00 55.68 C +ATOM 1152 C PRO A 79 -20.196 -69.497 -26.595 1.00 63.80 C +ATOM 1153 O PRO A 79 -20.423 -70.392 -25.776 1.00 63.56 O +ATOM 1154 CB PRO A 79 -18.061 -68.610 -25.596 1.00 57.28 C +ATOM 1155 CG PRO A 79 -17.735 -67.410 -24.752 1.00 53.63 C +ATOM 1156 CD PRO A 79 -19.068 -67.022 -24.132 1.00 57.59 C +ATOM 1157 HA PRO A 79 -19.262 -67.632 -27.096 1.00 0.00 H +ATOM 1158 HB3 PRO A 79 -17.320 -68.704 -26.390 1.00 0.00 H +ATOM 1159 HB2 PRO A 79 -18.178 -69.482 -24.952 1.00 0.00 H +ATOM 1160 HG3 PRO A 79 -17.387 -66.601 -25.394 1.00 0.00 H +ATOM 1161 HG2 PRO A 79 -17.042 -67.702 -23.963 1.00 0.00 H +ATOM 1162 HD2 PRO A 79 -19.224 -67.602 -23.222 1.00 0.00 H +ATOM 1163 HD3 PRO A 79 -19.108 -65.939 -24.012 1.00 0.00 H +ATOM 1164 N ALA A 80 -20.575 -69.562 -27.870 1.00 51.86 N +ATOM 1165 CA ALA A 80 -21.274 -70.729 -28.378 1.00 53.45 C +ATOM 1166 C ALA A 80 -20.459 -71.996 -28.118 1.00 57.27 C +ATOM 1167 O ALA A 80 -19.234 -72.008 -28.256 1.00 59.38 O +ATOM 1168 CB ALA A 80 -21.550 -70.555 -29.875 1.00 51.13 C +ATOM 1169 H ALA A 80 -20.377 -68.794 -28.496 1.00 0.00 H +ATOM 1170 HA ALA A 80 -22.227 -70.817 -27.857 1.00 0.00 H +ATOM 1171 HB1 ALA A 80 -22.075 -71.433 -30.253 1.00 0.00 H +ATOM 1172 HB2 ALA A 80 -22.166 -69.669 -30.031 1.00 0.00 H +ATOM 1173 HB3 ALA A 80 -20.606 -70.439 -30.408 1.00 0.00 H +ATOM 1174 N PHE A 81 -21.142 -73.052 -27.686 1.00 43.50 N +ATOM 1175 CA PHE A 81 -20.555 -74.373 -27.470 1.00 46.34 C +ATOM 1176 C PHE A 81 -19.473 -74.397 -26.389 1.00 61.31 C +ATOM 1177 O PHE A 81 -18.811 -75.423 -26.206 1.00 57.26 O +ATOM 1178 CB PHE A 81 -20.017 -74.953 -28.787 1.00 52.81 C +ATOM 1179 CG PHE A 81 -21.026 -74.910 -29.906 1.00 51.32 C +ATOM 1180 CD1 PHE A 81 -20.889 -74.008 -30.947 1.00 50.90 C +ATOM 1181 CE1 PHE A 81 -21.833 -73.947 -31.957 1.00 50.98 C +ATOM 1182 CZ PHE A 81 -22.940 -74.787 -31.924 1.00 53.26 C +ATOM 1183 CE2 PHE A 81 -23.096 -75.679 -30.882 1.00 50.48 C +ATOM 1184 CD2 PHE A 81 -22.145 -75.729 -29.875 1.00 56.77 C +ATOM 1185 H PHE A 81 -22.128 -72.968 -27.486 1.00 0.00 H +ATOM 1186 HA PHE A 81 -21.358 -75.030 -27.135 1.00 0.00 H +ATOM 1187 HB3 PHE A 81 -19.699 -75.983 -28.626 1.00 0.00 H +ATOM 1188 HB2 PHE A 81 -19.123 -74.406 -29.085 1.00 0.00 H +ATOM 1189 HD1 PHE A 81 -20.039 -73.343 -30.977 1.00 0.00 H +ATOM 1190 HE1 PHE A 81 -21.709 -73.247 -32.770 1.00 0.00 H +ATOM 1191 HZ PHE A 81 -23.676 -74.741 -32.713 1.00 0.00 H +ATOM 1192 HE2 PHE A 81 -23.955 -76.333 -30.855 1.00 0.00 H +ATOM 1193 HD2 PHE A 81 -22.286 -76.420 -29.057 1.00 0.00 H +ATOM 1194 N VAL A 82 -19.282 -73.312 -25.640 1.00 61.97 N +ATOM 1195 CA VAL A 82 -18.522 -73.351 -24.394 1.00 52.98 C +ATOM 1196 C VAL A 82 -19.435 -73.176 -23.193 1.00 53.12 C +ATOM 1197 O VAL A 82 -19.449 -74.011 -22.289 1.00 50.57 O +ATOM 1198 CB VAL A 82 -17.386 -72.307 -24.385 1.00 57.97 C +ATOM 1199 CG1 VAL A 82 -16.825 -72.177 -22.965 1.00 53.04 C +ATOM 1200 CG2 VAL A 82 -16.296 -72.703 -25.371 1.00 55.69 C +ATOM 1201 H VAL A 82 -19.669 -72.425 -25.929 1.00 0.00 H +ATOM 1202 HA VAL A 82 -18.064 -74.337 -24.318 1.00 0.00 H +ATOM 1203 HB VAL A 82 -17.796 -71.343 -24.687 1.00 0.00 H +ATOM 1204 HG11 VAL A 82 -16.022 -71.440 -22.957 1.00 0.00 H +ATOM 1205 HG12 VAL A 82 -17.618 -71.858 -22.288 1.00 0.00 H +ATOM 1206 HG13 VAL A 82 -16.435 -73.141 -22.638 1.00 0.00 H +ATOM 1207 HG21 VAL A 82 -15.501 -71.957 -25.354 1.00 0.00 H +ATOM 1208 HG22 VAL A 82 -15.888 -73.674 -25.092 1.00 0.00 H +ATOM 1209 HG23 VAL A 82 -16.717 -72.761 -26.375 1.00 0.00 H +ATOM 1210 N ASN A 83 -20.212 -72.088 -23.167 1.00 59.60 N +ATOM 1211 CA ASN A 83 -21.079 -71.749 -22.048 1.00 56.17 C +ATOM 1212 C ASN A 83 -22.567 -71.896 -22.351 1.00 68.02 C +ATOM 1213 O ASN A 83 -23.368 -71.931 -21.408 1.00 63.99 O +ATOM 1214 CB ASN A 83 -20.804 -70.306 -21.590 1.00 50.18 C +ATOM 1215 CG ASN A 83 -19.317 -70.016 -21.400 1.00 60.51 C +ATOM 1216 OD1 ASN A 83 -18.653 -69.505 -22.301 1.00 52.15 O +ATOM 1217 ND2 ASN A 83 -18.793 -70.333 -20.214 1.00 60.84 N +ATOM 1218 H ASN A 83 -20.217 -71.452 -23.951 1.00 0.00 H +ATOM 1219 HA ASN A 83 -20.837 -72.416 -21.221 1.00 0.00 H +ATOM 1220 HB3 ASN A 83 -21.332 -70.116 -20.656 1.00 0.00 H +ATOM 1221 HB2 ASN A 83 -21.219 -69.610 -22.319 1.00 0.00 H +ATOM 1222 HD22 ASN A 83 -17.814 -70.163 -20.033 1.00 0.00 H +ATOM 1223 HD21 ASN A 83 -19.375 -70.743 -19.498 1.00 0.00 H +ATOM 1224 N GLN A 84 -22.955 -71.980 -23.628 1.00 61.15 N +ATOM 1225 CA GLN A 84 -24.353 -72.138 -24.017 1.00 57.87 C +ATOM 1226 C GLN A 84 -24.429 -72.652 -25.452 1.00 54.31 C +ATOM 1227 O GLN A 84 -23.511 -72.445 -26.252 1.00 55.55 O +ATOM 1228 CB GLN A 84 -25.122 -70.818 -23.923 1.00 53.60 C +ATOM 1229 CG GLN A 84 -24.887 -69.922 -25.165 1.00 51.39 C +ATOM 1230 CD GLN A 84 -25.872 -68.764 -25.272 1.00 60.27 C +ATOM 1231 OE1 GLN A 84 -25.721 -67.735 -24.605 1.00 48.46 O +ATOM 1232 NE2 GLN A 84 -26.886 -68.929 -26.120 1.00 52.90 N +ATOM 1233 H GLN A 84 -22.269 -71.934 -24.368 1.00 0.00 H +ATOM 1234 HA GLN A 84 -24.822 -72.867 -23.356 1.00 0.00 H +ATOM 1235 HB3 GLN A 84 -24.814 -70.282 -23.026 1.00 0.00 H +ATOM 1236 HB2 GLN A 84 -26.187 -71.025 -23.822 1.00 0.00 H +ATOM 1237 HG3 GLN A 84 -24.946 -70.531 -26.067 1.00 0.00 H +ATOM 1238 HG2 GLN A 84 -23.870 -69.531 -25.142 1.00 0.00 H +ATOM 1239 HE22 GLN A 84 -27.572 -68.197 -26.235 1.00 0.00 H +ATOM 1240 HE21 GLN A 84 -26.969 -69.786 -26.648 1.00 0.00 H +ATOM 1241 N CYS A 85 -25.562 -73.320 -25.782 1.00 59.93 N +ATOM 1242 CA CYS A 85 -25.868 -73.476 -27.205 1.00 63.46 C +ATOM 1243 C CYS A 85 -26.412 -72.150 -27.743 1.00 56.75 C +ATOM 1244 O CYS A 85 -26.968 -71.355 -26.982 1.00 49.11 O +ATOM 1245 CB CYS A 85 -26.891 -74.588 -27.436 1.00 62.42 C +ATOM 1246 SG CYS A 85 -26.272 -76.317 -27.488 1.00 70.20 S +ATOM 1247 H CYS A 85 -26.160 -73.689 -25.057 1.00 0.00 H +ATOM 1248 HA CYS A 85 -24.950 -73.724 -27.739 1.00 0.00 H +ATOM 1249 HB3 CYS A 85 -27.446 -74.379 -28.351 1.00 0.00 H +ATOM 1250 HB2 CYS A 85 -27.677 -74.512 -26.685 1.00 0.00 H +ATOM 1251 N PRO A 86 -26.244 -71.868 -29.037 1.00 54.50 N +ATOM 1252 CA PRO A 86 -26.722 -70.574 -29.564 1.00 51.14 C +ATOM 1253 C PRO A 86 -28.239 -70.494 -29.514 1.00 50.10 C +ATOM 1254 O PRO A 86 -28.941 -71.508 -29.556 1.00 58.19 O +ATOM 1255 CB PRO A 86 -26.217 -70.542 -31.022 1.00 43.36 C +ATOM 1256 CG PRO A 86 -25.400 -71.808 -31.234 1.00 52.70 C +ATOM 1257 CD PRO A 86 -25.277 -72.540 -29.932 1.00 53.25 C +ATOM 1258 HA PRO A 86 -26.284 -69.753 -28.997 1.00 0.00 H +ATOM 1259 HB3 PRO A 86 -25.579 -69.670 -31.165 1.00 0.00 H +ATOM 1260 HB2 PRO A 86 -27.070 -70.543 -31.701 1.00 0.00 H +ATOM 1261 HG3 PRO A 86 -24.407 -71.543 -31.597 1.00 0.00 H +ATOM 1262 HG2 PRO A 86 -25.901 -72.445 -31.963 1.00 0.00 H +ATOM 1263 HD2 PRO A 86 -25.576 -73.579 -30.072 1.00 0.00 H +ATOM 1264 HD3 PRO A 86 -24.269 -72.409 -29.538 1.00 0.00 H +ATOM 1265 N ILE A 87 -28.738 -69.264 -29.384 1.00 46.29 N +ATOM 1266 CA ILE A 87 -30.157 -68.976 -29.579 1.00 44.96 C +ATOM 1267 C ILE A 87 -30.496 -69.222 -31.041 1.00 56.32 C +ATOM 1268 O ILE A 87 -29.746 -68.808 -31.935 1.00 61.79 O +ATOM 1269 CB ILE A 87 -30.457 -67.521 -29.173 1.00 50.65 C +ATOM 1270 CG1 ILE A 87 -29.751 -67.168 -27.862 1.00 50.92 C +ATOM 1271 CD1 ILE A 87 -29.739 -65.685 -27.549 1.00 56.77 C +ATOM 1272 CG2 ILE A 87 -31.964 -67.269 -29.029 1.00 45.89 C +ATOM 1273 H ILE A 87 -28.129 -68.495 -29.143 1.00 0.00 H +ATOM 1274 HA ILE A 87 -30.747 -69.649 -28.957 1.00 0.00 H +ATOM 1275 HB ILE A 87 -30.075 -66.864 -29.954 1.00 0.00 H +ATOM 1276 HG13 ILE A 87 -28.727 -67.539 -27.892 1.00 0.00 H +ATOM 1277 HG12 ILE A 87 -30.223 -67.707 -27.041 1.00 0.00 H +ATOM 1278 HD11 ILE A 87 -29.221 -65.517 -26.605 1.00 0.00 H +ATOM 1279 HD12 ILE A 87 -29.224 -65.149 -28.346 1.00 0.00 H +ATOM 1280 HD13 ILE A 87 -30.764 -65.321 -27.471 1.00 0.00 H +ATOM 1281 HG21 ILE A 87 -32.134 -66.231 -28.742 1.00 0.00 H +ATOM 1282 HG22 ILE A 87 -32.459 -67.468 -29.980 1.00 0.00 H +ATOM 1283 HG23 ILE A 87 -32.372 -67.929 -28.263 1.00 0.00 H +ATOM 1284 N SER A 88 -31.609 -69.914 -31.290 1.00 54.12 N +ATOM 1285 CA SER A 88 -32.090 -70.202 -32.634 1.00 51.55 C +ATOM 1286 C SER A 88 -33.019 -69.089 -33.124 1.00 46.04 C +ATOM 1287 O SER A 88 -33.602 -68.338 -32.336 1.00 51.21 O +ATOM 1288 CB SER A 88 -32.844 -71.538 -32.674 1.00 56.69 C +ATOM 1289 OG SER A 88 -32.095 -72.608 -32.120 1.00 50.12 O +ATOM 1290 H SER A 88 -32.165 -70.268 -30.525 1.00 0.00 H +ATOM 1291 HA SER A 88 -31.234 -70.264 -33.306 1.00 0.00 H +ATOM 1292 HB3 SER A 88 -33.106 -71.775 -33.705 1.00 0.00 H +ATOM 1293 HB2 SER A 88 -33.786 -71.438 -32.135 1.00 0.00 H +ATOM 1294 HG SER A 88 -32.609 -73.418 -32.169 1.00 0.00 H +ATOM 1295 N THR A 89 -33.186 -69.002 -34.443 1.00 44.16 N +ATOM 1296 CA THR A 89 -34.059 -67.954 -34.946 1.00 54.34 C +ATOM 1297 C THR A 89 -35.511 -68.249 -34.573 1.00 49.34 C +ATOM 1298 O THR A 89 -35.901 -69.393 -34.336 1.00 62.45 O +ATOM 1299 CB THR A 89 -33.918 -67.789 -36.449 1.00 56.72 C +ATOM 1300 OG1 THR A 89 -34.647 -66.621 -36.838 1.00 53.74 O +ATOM 1301 CG2 THR A 89 -34.466 -69.017 -37.193 1.00 49.93 C +ATOM 1302 H THR A 89 -32.714 -69.651 -35.056 1.00 0.00 H +ATOM 1303 HA THR A 89 -33.771 -67.015 -34.473 1.00 0.00 H +ATOM 1304 HB THR A 89 -32.865 -67.656 -36.699 1.00 0.00 H +ATOM 1305 HG1 THR A 89 -34.189 -66.182 -37.559 1.00 0.00 H +ATOM 1306 HG21 THR A 89 -34.352 -68.872 -38.267 1.00 0.00 H +ATOM 1307 HG22 THR A 89 -33.913 -69.905 -36.886 1.00 0.00 H +ATOM 1308 HG23 THR A 89 -35.522 -69.146 -36.954 1.00 0.00 H +ATOM 1309 N GLY A 90 -36.304 -67.193 -34.470 1.00 55.59 N +ATOM 1310 CA GLY A 90 -37.650 -67.330 -33.965 1.00 43.72 C +ATOM 1311 C GLY A 90 -37.775 -67.387 -32.452 1.00 55.78 C +ATOM 1312 O GLY A 90 -38.904 -67.391 -31.948 1.00 59.26 O +ATOM 1313 H GLY A 90 -35.969 -66.281 -34.746 1.00 0.00 H +ATOM 1314 HA3 GLY A 90 -38.108 -68.219 -34.398 1.00 0.00 H +ATOM 1315 HA2 GLY A 90 -38.263 -66.513 -34.347 1.00 0.00 H +ATOM 1316 N HIS A 91 -36.665 -67.419 -31.707 1.00 49.94 N +ATOM 1317 CA HIS A 91 -36.695 -67.568 -30.256 1.00 55.26 C +ATOM 1318 C HIS A 91 -36.049 -66.365 -29.576 1.00 57.77 C +ATOM 1319 O HIS A 91 -35.466 -65.497 -30.221 1.00 51.54 O +ATOM 1320 CB HIS A 91 -35.994 -68.860 -29.823 1.00 48.63 C +ATOM 1321 CG HIS A 91 -36.641 -70.095 -30.340 1.00 61.38 C +ATOM 1322 ND1 HIS A 91 -36.560 -70.482 -31.662 1.00 63.91 N1+ +ATOM 1323 CE1 HIS A 91 -37.246 -71.602 -31.835 1.00 59.45 C +ATOM 1324 NE2 HIS A 91 -37.778 -71.947 -30.674 1.00 69.65 N +ATOM 1325 CD2 HIS A 91 -37.422 -71.014 -29.722 1.00 62.82 C +ATOM 1326 H HIS A 91 -35.759 -67.338 -32.147 1.00 0.00 H +ATOM 1327 HA HIS A 91 -37.737 -67.621 -29.939 1.00 0.00 H +ATOM 1328 HB3 HIS A 91 -35.953 -68.902 -28.735 1.00 0.00 H +ATOM 1329 HB2 HIS A 91 -34.954 -68.833 -30.148 1.00 0.00 H +ATOM 1330 HD1 HIS A 91 -36.032 -69.926 -32.320 1.00 0.00 H +ATOM 1331 HE1 HIS A 91 -37.290 -72.063 -32.811 1.00 0.00 H +ATOM 1332 HD2 HIS A 91 -37.646 -70.913 -28.670 1.00 0.00 H +ATOM 1333 HE2 HIS A 91 -38.341 -72.783 -30.605 1.00 0.00 H +ATOM 1334 N ALA A 92 -36.150 -66.348 -28.246 1.00 63.14 N +ATOM 1335 CA ALA A 92 -35.540 -65.326 -27.408 1.00 56.76 C +ATOM 1336 C ALA A 92 -34.898 -65.979 -26.187 1.00 57.30 C +ATOM 1337 O ALA A 92 -35.304 -67.063 -25.758 1.00 46.00 O +ATOM 1338 CB ALA A 92 -36.566 -64.271 -26.963 1.00 54.45 C +ATOM 1339 H ALA A 92 -36.671 -67.070 -27.770 1.00 0.00 H +ATOM 1340 HA ALA A 92 -34.760 -64.828 -27.984 1.00 0.00 H +ATOM 1341 HB1 ALA A 92 -36.074 -63.525 -26.339 1.00 0.00 H +ATOM 1342 HB2 ALA A 92 -36.993 -63.786 -27.841 1.00 0.00 H +ATOM 1343 HB3 ALA A 92 -37.360 -64.753 -26.393 1.00 0.00 H +ATOM 1344 N PHE A 93 -33.894 -65.306 -25.621 1.00 45.90 N +ATOM 1345 CA PHE A 93 -33.217 -65.831 -24.444 1.00 41.92 C +ATOM 1346 C PHE A 93 -32.772 -64.670 -23.564 1.00 58.07 C +ATOM 1347 O PHE A 93 -32.109 -63.747 -24.048 1.00 63.40 O +ATOM 1348 CB PHE A 93 -32.017 -66.706 -24.851 1.00 47.31 C +ATOM 1349 CG PHE A 93 -31.158 -67.156 -23.687 1.00 47.70 C +ATOM 1350 CD1 PHE A 93 -31.681 -67.993 -22.693 1.00 47.72 C +ATOM 1351 CE1 PHE A 93 -30.890 -68.418 -21.620 1.00 40.25 C +ATOM 1352 CZ PHE A 93 -29.571 -68.018 -21.545 1.00 48.10 C +ATOM 1353 CE2 PHE A 93 -29.037 -67.196 -22.545 1.00 57.06 C +ATOM 1354 CD2 PHE A 93 -29.821 -66.784 -23.610 1.00 39.91 C +ATOM 1355 H PHE A 93 -33.596 -64.422 -26.009 1.00 0.00 H +ATOM 1356 HA PHE A 93 -33.921 -66.445 -23.882 1.00 0.00 H +ATOM 1357 HB3 PHE A 93 -31.400 -66.163 -25.567 1.00 0.00 H +ATOM 1358 HB2 PHE A 93 -32.375 -67.580 -25.395 1.00 0.00 H +ATOM 1359 HD1 PHE A 93 -32.709 -68.320 -22.748 1.00 0.00 H +ATOM 1360 HE1 PHE A 93 -31.312 -69.055 -20.857 1.00 0.00 H +ATOM 1361 HZ PHE A 93 -28.956 -68.339 -20.718 1.00 0.00 H +ATOM 1362 HE2 PHE A 93 -28.006 -66.878 -22.490 1.00 0.00 H +ATOM 1363 HD2 PHE A 93 -29.386 -66.169 -24.384 1.00 0.00 H +ATOM 1364 N LEU A 94 -33.147 -64.716 -22.282 1.00 57.60 N +ATOM 1365 CA LEU A 94 -32.834 -63.652 -21.332 1.00 51.69 C +ATOM 1366 C LEU A 94 -31.440 -63.854 -20.767 1.00 50.47 C +ATOM 1367 O LEU A 94 -31.109 -64.937 -20.277 1.00 54.11 O +ATOM 1368 CB LEU A 94 -33.845 -63.615 -20.182 1.00 45.27 C +ATOM 1369 CG LEU A 94 -33.675 -62.544 -19.082 1.00 55.91 C +ATOM 1370 CD1 LEU A 94 -33.478 -61.126 -19.623 1.00 46.95 C +ATOM 1371 CD2 LEU A 94 -34.857 -62.554 -18.118 1.00 39.85 C +ATOM 1372 H LEU A 94 -33.668 -65.509 -21.936 1.00 0.00 H +ATOM 1373 HA LEU A 94 -32.864 -62.696 -21.855 1.00 0.00 H +ATOM 1374 HB3 LEU A 94 -33.891 -64.600 -19.716 1.00 0.00 H +ATOM 1375 HB2 LEU A 94 -34.851 -63.545 -20.595 1.00 0.00 H +ATOM 1376 HG LEU A 94 -32.784 -62.802 -18.509 1.00 0.00 H +ATOM 1377 HD11 LEU A 94 -33.366 -60.431 -18.791 1.00 0.00 H +ATOM 1378 HD12 LEU A 94 -32.583 -61.095 -20.245 1.00 0.00 H +ATOM 1379 HD13 LEU A 94 -34.344 -60.841 -20.220 1.00 0.00 H +ATOM 1380 HD21 LEU A 94 -34.710 -61.790 -17.354 1.00 0.00 H +ATOM 1381 HD22 LEU A 94 -35.776 -62.347 -18.667 1.00 0.00 H +ATOM 1382 HD23 LEU A 94 -34.931 -63.532 -17.643 1.00 0.00 H +ATOM 1383 N TYR A 95 -30.624 -62.820 -20.842 1.00 53.39 N +ATOM 1384 CA TYR A 95 -29.371 -62.782 -20.105 1.00 56.58 C +ATOM 1385 C TYR A 95 -29.630 -61.967 -18.845 1.00 57.51 C +ATOM 1386 O TYR A 95 -29.934 -60.775 -18.923 1.00 61.92 O +ATOM 1387 CB TYR A 95 -28.251 -62.185 -20.946 1.00 52.09 C +ATOM 1388 CG TYR A 95 -27.808 -63.044 -22.126 1.00 52.48 C +ATOM 1389 CD1 TYR A 95 -28.478 -62.987 -23.347 1.00 53.74 C +ATOM 1390 CE1 TYR A 95 -28.071 -63.744 -24.421 1.00 42.26 C +ATOM 1391 CZ TYR A 95 -26.974 -64.568 -24.294 1.00 42.77 C +ATOM 1392 OH TYR A 95 -26.558 -65.323 -25.366 1.00 48.24 O +ATOM 1393 CE2 TYR A 95 -26.292 -64.648 -23.096 1.00 39.38 C +ATOM 1394 CD2 TYR A 95 -26.702 -63.882 -22.025 1.00 43.55 C +ATOM 1395 H TYR A 95 -30.864 -62.029 -21.422 1.00 0.00 H +ATOM 1396 HA TYR A 95 -29.097 -63.798 -19.820 1.00 0.00 H +ATOM 1397 HB3 TYR A 95 -27.392 -61.978 -20.308 1.00 0.00 H +ATOM 1398 HB2 TYR A 95 -28.556 -61.204 -21.309 1.00 0.00 H +ATOM 1399 HD1 TYR A 95 -29.334 -62.339 -23.463 1.00 0.00 H +ATOM 1400 HE1 TYR A 95 -28.610 -63.690 -25.355 1.00 0.00 H +ATOM 1401 HH TYR A 95 -26.147 -66.130 -25.050 1.00 0.00 H +ATOM 1402 HE2 TYR A 95 -25.442 -65.308 -23.001 1.00 0.00 H +ATOM 1403 HD2 TYR A 95 -26.151 -63.939 -21.098 1.00 0.00 H +ATOM 1404 N ASP A 96 -29.549 -62.620 -17.690 1.00 65.71 N +ATOM 1405 CA ASP A 96 -29.878 -62.004 -16.406 1.00 61.78 C +ATOM 1406 C ASP A 96 -28.683 -62.177 -15.473 1.00 56.67 C +ATOM 1407 O ASP A 96 -28.483 -63.244 -14.889 1.00 53.52 O +ATOM 1408 CB ASP A 96 -31.154 -62.615 -15.824 1.00 59.39 C +ATOM 1409 CG ASP A 96 -31.493 -62.077 -14.451 1.00 59.51 C +ATOM 1410 OD1 ASP A 96 -32.420 -62.619 -13.824 1.00 78.14 O +ATOM 1411 OD2 ASP A 96 -30.837 -61.126 -13.984 1.00 64.37 O1- +ATOM 1412 H ASP A 96 -29.249 -63.584 -17.675 1.00 0.00 H +ATOM 1413 HA ASP A 96 -30.044 -60.938 -16.564 1.00 0.00 H +ATOM 1414 HB3 ASP A 96 -31.046 -63.698 -15.772 1.00 0.00 H +ATOM 1415 HB2 ASP A 96 -31.987 -62.428 -16.502 1.00 0.00 H +ATOM 1416 N PHE A 97 -27.895 -61.118 -15.315 1.00 60.16 N +ATOM 1417 CA PHE A 97 -26.735 -61.166 -14.442 1.00 48.12 C +ATOM 1418 C PHE A 97 -26.576 -59.826 -13.738 1.00 54.95 C +ATOM 1419 O PHE A 97 -27.257 -58.841 -14.045 1.00 43.70 O +ATOM 1420 CB PHE A 97 -25.469 -61.529 -15.228 1.00 50.13 C +ATOM 1421 CG PHE A 97 -25.199 -60.623 -16.396 1.00 52.25 C +ATOM 1422 CD1 PHE A 97 -24.402 -59.492 -16.246 1.00 54.42 C +ATOM 1423 CE1 PHE A 97 -24.133 -58.657 -17.325 1.00 45.73 C +ATOM 1424 CZ PHE A 97 -24.678 -58.943 -18.568 1.00 46.71 C +ATOM 1425 CE2 PHE A 97 -25.477 -60.069 -18.728 1.00 45.18 C +ATOM 1426 CD2 PHE A 97 -25.732 -60.903 -17.640 1.00 50.95 C +ATOM 1427 H PHE A 97 -28.098 -60.259 -15.807 1.00 0.00 H +ATOM 1428 HA PHE A 97 -26.904 -61.934 -13.687 1.00 0.00 H +ATOM 1429 HB3 PHE A 97 -25.544 -62.558 -15.579 1.00 0.00 H +ATOM 1430 HB2 PHE A 97 -24.611 -61.518 -14.556 1.00 0.00 H +ATOM 1431 HD1 PHE A 97 -23.982 -59.252 -15.281 1.00 0.00 H +ATOM 1432 HE1 PHE A 97 -23.502 -57.790 -17.193 1.00 0.00 H +ATOM 1433 HZ PHE A 97 -24.481 -58.292 -19.407 1.00 0.00 H +ATOM 1434 HE2 PHE A 97 -25.900 -60.298 -19.695 1.00 0.00 H +ATOM 1435 HD2 PHE A 97 -26.353 -61.776 -17.777 1.00 0.00 H +ATOM 1436 N GLN A 98 -25.669 -59.801 -12.773 1.00 56.92 N +ATOM 1437 CA GLN A 98 -25.375 -58.601 -12.015 1.00 62.94 C +ATOM 1438 C GLN A 98 -23.958 -58.146 -12.326 1.00 65.78 C +ATOM 1439 O GLN A 98 -23.117 -58.944 -12.746 1.00 47.45 O +ATOM 1440 CB GLN A 98 -25.520 -58.852 -10.516 1.00 67.40 C +ATOM 1441 CG GLN A 98 -26.710 -59.732 -10.165 1.00 81.88 C +ATOM 1442 CD GLN A 98 -27.709 -59.028 -9.278 1.00 86.84 C +ATOM 1443 OE1 GLN A 98 -27.571 -57.838 -8.998 1.00 86.59 O +ATOM 1444 NE2 GLN A 98 -28.729 -59.758 -8.833 1.00 92.61 N +ATOM 1445 H GLN A 98 -25.154 -60.638 -12.543 1.00 0.00 H +ATOM 1446 HA GLN A 98 -26.071 -57.816 -12.311 1.00 0.00 H +ATOM 1447 HB3 GLN A 98 -25.610 -57.898 -9.996 1.00 0.00 H +ATOM 1448 HB2 GLN A 98 -24.607 -59.310 -10.136 1.00 0.00 H +ATOM 1449 HG3 GLN A 98 -26.358 -60.636 -9.668 1.00 0.00 H +ATOM 1450 HG2 GLN A 98 -27.204 -60.056 -11.081 1.00 0.00 H +ATOM 1451 HE22 GLN A 98 -29.428 -59.339 -8.236 1.00 0.00 H +ATOM 1452 HE21 GLN A 98 -28.805 -60.731 -9.092 1.00 0.00 H +ATOM 1453 N VAL A 99 -23.709 -56.853 -12.133 1.00 63.40 N +ATOM 1454 CA VAL A 99 -22.356 -56.302 -12.170 1.00 60.33 C +ATOM 1455 C VAL A 99 -22.131 -55.561 -10.853 1.00 62.54 C +ATOM 1456 O VAL A 99 -22.214 -54.322 -10.802 1.00 53.39 O +ATOM 1457 CB VAL A 99 -22.148 -55.408 -13.402 1.00 53.23 C +ATOM 1458 CG1 VAL A 99 -20.706 -54.951 -13.502 1.00 49.43 C +ATOM 1459 CG2 VAL A 99 -22.516 -56.180 -14.659 1.00 65.49 C +ATOM 1460 H VAL A 99 -24.470 -56.214 -11.953 1.00 0.00 H +ATOM 1461 HA VAL A 99 -21.649 -57.130 -12.223 1.00 0.00 H +ATOM 1462 HB VAL A 99 -22.793 -54.533 -13.320 1.00 0.00 H +ATOM 1463 HG11 VAL A 99 -20.585 -54.320 -14.382 1.00 0.00 H +ATOM 1464 HG12 VAL A 99 -20.441 -54.384 -12.609 1.00 0.00 H +ATOM 1465 HG13 VAL A 99 -20.054 -55.820 -13.586 1.00 0.00 H +ATOM 1466 HG21 VAL A 99 -22.368 -55.545 -15.532 1.00 0.00 H +ATOM 1467 HG22 VAL A 99 -21.883 -57.064 -14.742 1.00 0.00 H +ATOM 1468 HG23 VAL A 99 -23.561 -56.486 -14.605 1.00 0.00 H +ATOM 1469 N PRO A 100 -21.863 -56.282 -9.758 1.00 56.05 N +ATOM 1470 CA PRO A 100 -21.750 -55.599 -8.458 1.00 58.28 C +ATOM 1471 C PRO A 100 -20.475 -54.785 -8.304 1.00 70.25 C +ATOM 1472 O PRO A 100 -20.520 -53.674 -7.760 1.00 72.26 O +ATOM 1473 CB PRO A 100 -21.813 -56.756 -7.450 1.00 56.63 C +ATOM 1474 CG PRO A 100 -21.289 -57.959 -8.218 1.00 59.02 C +ATOM 1475 CD PRO A 100 -21.708 -57.748 -9.650 1.00 60.32 C +ATOM 1476 HA PRO A 100 -22.613 -54.949 -8.316 1.00 0.00 H +ATOM 1477 HB3 PRO A 100 -22.851 -56.932 -7.167 1.00 0.00 H +ATOM 1478 HB2 PRO A 100 -21.147 -56.543 -6.614 1.00 0.00 H +ATOM 1479 HG3 PRO A 100 -21.757 -58.865 -7.834 1.00 0.00 H +ATOM 1480 HG2 PRO A 100 -20.201 -57.980 -8.159 1.00 0.00 H +ATOM 1481 HD2 PRO A 100 -20.906 -58.075 -10.312 1.00 0.00 H +ATOM 1482 HD3 PRO A 100 -22.673 -58.226 -9.817 1.00 0.00 H +ATOM 1483 N ASP A 101 -19.338 -55.290 -8.781 1.00 67.22 N +ATOM 1484 CA ASP A 101 -18.042 -54.727 -8.431 1.00 60.61 C +ATOM 1485 C ASP A 101 -17.207 -54.306 -9.638 1.00 61.93 C +ATOM 1486 O ASP A 101 -16.003 -54.074 -9.483 1.00 64.93 O +ATOM 1487 CB ASP A 101 -17.257 -55.731 -7.585 1.00 63.68 C +ATOM 1488 CG ASP A 101 -17.011 -57.030 -8.320 1.00 89.94 C +ATOM 1489 OD1 ASP A 101 -16.091 -57.777 -7.917 1.00 91.04 O +ATOM 1490 OD2 ASP A 101 -17.740 -57.299 -9.303 1.00 1.80 O1- +ATOM 1491 H ASP A 101 -19.360 -56.085 -9.403 1.00 0.00 H +ATOM 1492 HA ASP A 101 -18.217 -53.841 -7.821 1.00 0.00 H +ATOM 1493 HB3 ASP A 101 -17.803 -55.934 -6.664 1.00 0.00 H +ATOM 1494 HB2 ASP A 101 -16.302 -55.292 -7.295 1.00 0.00 H +ATOM 1495 N GLN A 102 -17.790 -54.197 -10.829 1.00 56.87 N +ATOM 1496 CA GLN A 102 -17.084 -53.595 -11.953 1.00 53.36 C +ATOM 1497 C GLN A 102 -17.732 -52.289 -12.399 1.00 47.59 C +ATOM 1498 O GLN A 102 -18.941 -52.087 -12.266 1.00 49.61 O +ATOM 1499 CB GLN A 102 -16.980 -54.552 -13.147 1.00 51.42 C +ATOM 1500 CG GLN A 102 -16.703 -56.005 -12.776 1.00 41.35 C +ATOM 1501 CD GLN A 102 -16.427 -56.865 -14.007 1.00 49.37 C +ATOM 1502 OE1 GLN A 102 -17.269 -57.853 -14.190 1.00 55.27 O +ATOM 1503 NE2 GLN A 102 -15.545 -56.590 -14.815 1.00 54.79 N +ATOM 1504 H GLN A 102 -18.733 -54.533 -10.962 1.00 0.00 H +ATOM 1505 HA GLN A 102 -16.071 -53.366 -11.623 1.00 0.00 H +ATOM 1506 HB3 GLN A 102 -16.204 -54.199 -13.826 1.00 0.00 H +ATOM 1507 HB2 GLN A 102 -17.897 -54.498 -13.734 1.00 0.00 H +ATOM 1508 HG3 GLN A 102 -17.558 -56.410 -12.235 1.00 0.00 H +ATOM 1509 HG2 GLN A 102 -15.847 -56.050 -12.103 1.00 0.00 H +ATOM 1510 HE22 GLN A 102 -15.393 -57.184 -15.618 1.00 0.00 H +ATOM 1511 HE21 GLN A 102 -14.972 -55.770 -14.677 1.00 0.00 H +ATOM 1512 N ALA A 103 -16.899 -51.398 -12.933 1.00 46.44 N +ATOM 1513 CA ALA A 103 -17.388 -50.165 -13.526 1.00 43.87 C +ATOM 1514 C ALA A 103 -16.331 -49.663 -14.496 1.00 44.23 C +ATOM 1515 O ALA A 103 -15.136 -49.885 -14.295 1.00 51.15 O +ATOM 1516 CB ALA A 103 -17.709 -49.109 -12.462 1.00 44.41 C +ATOM 1517 H ALA A 103 -15.904 -51.572 -12.931 1.00 0.00 H +ATOM 1518 HA ALA A 103 -18.298 -50.384 -14.085 1.00 0.00 H +ATOM 1519 HB1 ALA A 103 -18.072 -48.203 -12.947 1.00 0.00 H +ATOM 1520 HB2 ALA A 103 -18.476 -49.492 -11.789 1.00 0.00 H +ATOM 1521 HB3 ALA A 103 -16.808 -48.880 -11.893 1.00 0.00 H +ATOM 1522 N GLY A 104 -16.788 -49.014 -15.570 1.00 48.88 N +ATOM 1523 CA GLY A 104 -15.918 -48.582 -16.638 1.00 38.01 C +ATOM 1524 C GLY A 104 -16.525 -48.890 -18.000 1.00 52.39 C +ATOM 1525 O GLY A 104 -17.743 -49.071 -18.146 1.00 38.94 O +ATOM 1526 H GLY A 104 -17.773 -48.810 -15.655 1.00 0.00 H +ATOM 1527 HA3 GLY A 104 -14.955 -49.085 -16.548 1.00 0.00 H +ATOM 1528 HA2 GLY A 104 -15.744 -47.509 -16.553 1.00 0.00 H +ATOM 1529 N THR A 105 -15.643 -48.961 -18.987 1.00 44.32 N +ATOM 1530 CA THR A 105 -15.988 -49.070 -20.393 1.00 51.03 C +ATOM 1531 C THR A 105 -15.850 -50.518 -20.836 1.00 51.56 C +ATOM 1532 O THR A 105 -14.799 -51.123 -20.605 1.00 52.07 O +ATOM 1533 CB THR A 105 -15.051 -48.170 -21.192 1.00 51.61 C +ATOM 1534 OG1 THR A 105 -15.079 -46.854 -20.617 1.00 51.56 O +ATOM 1535 CG2 THR A 105 -15.437 -48.115 -22.665 1.00 46.39 C +ATOM 1536 H THR A 105 -14.654 -48.941 -18.783 1.00 0.00 H +ATOM 1537 HA THR A 105 -17.017 -48.743 -20.540 1.00 0.00 H +ATOM 1538 HB THR A 105 -14.038 -48.564 -21.112 1.00 0.00 H +ATOM 1539 HG1 THR A 105 -14.349 -46.758 -20.002 1.00 0.00 H +ATOM 1540 HG21 THR A 105 -14.745 -47.464 -23.198 1.00 0.00 H +ATOM 1541 HG22 THR A 105 -15.393 -49.118 -23.090 1.00 0.00 H +ATOM 1542 HG23 THR A 105 -16.450 -47.724 -22.761 1.00 0.00 H +ATOM 1543 N PHE A 106 -16.903 -51.062 -21.466 1.00 45.68 N +ATOM 1544 CA PHE A 106 -16.964 -52.457 -21.954 1.00 43.96 C +ATOM 1545 C PHE A 106 -17.691 -52.507 -23.304 1.00 48.29 C +ATOM 1546 O PHE A 106 -18.040 -51.476 -23.885 1.00 50.40 O +ATOM 1547 CB PHE A 106 -17.692 -53.382 -20.966 1.00 45.51 C +ATOM 1548 CG PHE A 106 -17.215 -53.270 -19.550 1.00 44.36 C +ATOM 1549 CD1 PHE A 106 -17.787 -52.342 -18.687 1.00 48.27 C +ATOM 1550 CE1 PHE A 106 -17.350 -52.218 -17.373 1.00 38.07 C +ATOM 1551 CZ PHE A 106 -16.345 -53.041 -16.900 1.00 45.14 C +ATOM 1552 CE2 PHE A 106 -15.762 -53.978 -17.744 1.00 51.54 C +ATOM 1553 CD2 PHE A 106 -16.197 -54.086 -19.074 1.00 45.37 C +ATOM 1554 H PHE A 106 -17.731 -50.509 -21.636 1.00 0.00 H +ATOM 1555 HA PHE A 106 -15.947 -52.824 -22.091 1.00 0.00 H +ATOM 1556 HB3 PHE A 106 -17.594 -54.415 -21.299 1.00 0.00 H +ATOM 1557 HB2 PHE A 106 -18.762 -53.180 -21.004 1.00 0.00 H +ATOM 1558 HD1 PHE A 106 -18.585 -51.702 -19.034 1.00 0.00 H +ATOM 1559 HE1 PHE A 106 -17.796 -51.479 -16.723 1.00 0.00 H +ATOM 1560 HZ PHE A 106 -16.014 -52.955 -15.876 1.00 0.00 H +ATOM 1561 HE2 PHE A 106 -14.976 -54.621 -17.376 1.00 0.00 H +ATOM 1562 HD2 PHE A 106 -15.734 -54.810 -19.729 1.00 0.00 H +ATOM 1563 N TRP A 107 -17.967 -53.724 -23.794 1.00 46.12 N +ATOM 1564 CA TRP A 107 -18.831 -53.894 -24.963 1.00 41.59 C +ATOM 1565 C TRP A 107 -19.466 -55.283 -24.969 1.00 47.50 C +ATOM 1566 O TRP A 107 -19.111 -56.159 -24.176 1.00 48.61 O +ATOM 1567 CB TRP A 107 -18.067 -53.650 -26.269 1.00 38.08 C +ATOM 1568 CG TRP A 107 -16.891 -54.551 -26.507 1.00 43.82 C +ATOM 1569 CD1 TRP A 107 -15.906 -54.889 -25.607 1.00 53.90 C +ATOM 1570 NE1 TRP A 107 -14.993 -55.730 -26.195 1.00 49.77 N +ATOM 1571 CE2 TRP A 107 -15.361 -55.932 -27.503 1.00 49.75 C +ATOM 1572 CD2 TRP A 107 -16.552 -55.210 -27.732 1.00 45.35 C +ATOM 1573 CE3 TRP A 107 -17.152 -55.273 -29.004 1.00 43.71 C +ATOM 1574 CZ3 TRP A 107 -16.538 -56.038 -29.988 1.00 53.46 C +ATOM 1575 CH2 TRP A 107 -15.352 -56.742 -29.724 1.00 47.52 C +ATOM 1576 CZ2 TRP A 107 -14.758 -56.700 -28.491 1.00 48.15 C +ATOM 1577 H TRP A 107 -17.576 -54.546 -23.355 1.00 0.00 H +ATOM 1578 HA TRP A 107 -19.632 -53.158 -24.899 1.00 0.00 H +ATOM 1579 HB3 TRP A 107 -17.738 -52.611 -26.305 1.00 0.00 H +ATOM 1580 HB2 TRP A 107 -18.757 -53.728 -27.110 1.00 0.00 H +ATOM 1581 HD1 TRP A 107 -15.935 -54.496 -24.601 1.00 0.00 H +ATOM 1582 HE1 TRP A 107 -14.214 -56.084 -25.659 1.00 0.00 H +ATOM 1583 HE3 TRP A 107 -18.068 -54.734 -29.196 1.00 0.00 H +ATOM 1584 HZ3 TRP A 107 -16.973 -56.098 -30.975 1.00 0.00 H +ATOM 1585 HH2 TRP A 107 -14.890 -57.332 -30.502 1.00 0.00 H +ATOM 1586 HZ2 TRP A 107 -13.848 -57.241 -28.275 1.00 0.00 H +ATOM 1587 N TYR A 108 -20.432 -55.462 -25.884 1.00 51.62 N +ATOM 1588 CA TYR A 108 -21.104 -56.732 -26.148 1.00 43.41 C +ATOM 1589 C TYR A 108 -20.994 -57.088 -27.625 1.00 46.65 C +ATOM 1590 O TYR A 108 -20.928 -56.201 -28.485 1.00 45.74 O +ATOM 1591 CB TYR A 108 -22.596 -56.684 -25.755 1.00 38.43 C +ATOM 1592 CG TYR A 108 -23.439 -55.736 -26.585 1.00 39.11 C +ATOM 1593 CD1 TYR A 108 -24.203 -56.200 -27.639 1.00 42.15 C +ATOM 1594 CE1 TYR A 108 -24.977 -55.334 -28.398 1.00 47.45 C +ATOM 1595 CZ TYR A 108 -24.998 -53.986 -28.090 1.00 49.71 C +ATOM 1596 OH TYR A 108 -25.770 -53.135 -28.840 1.00 49.08 O +ATOM 1597 CE2 TYR A 108 -24.263 -53.499 -27.036 1.00 49.81 C +ATOM 1598 CD2 TYR A 108 -23.486 -54.371 -26.289 1.00 47.89 C +ATOM 1599 H TYR A 108 -20.742 -54.685 -26.449 1.00 0.00 H +ATOM 1600 HA TYR A 108 -20.615 -57.512 -25.565 1.00 0.00 H +ATOM 1601 HB3 TYR A 108 -22.683 -56.417 -24.702 1.00 0.00 H +ATOM 1602 HB2 TYR A 108 -23.017 -57.688 -25.814 1.00 0.00 H +ATOM 1603 HD1 TYR A 108 -24.204 -57.252 -27.883 1.00 0.00 H +ATOM 1604 HE1 TYR A 108 -25.559 -55.714 -29.225 1.00 0.00 H +ATOM 1605 HH TYR A 108 -25.718 -52.249 -28.475 1.00 0.00 H +ATOM 1606 HE2 TYR A 108 -24.294 -52.446 -26.797 1.00 0.00 H +ATOM 1607 HD2 TYR A 108 -22.910 -53.977 -25.465 1.00 0.00 H +ATOM 1608 N HIS A 109 -21.004 -58.390 -27.923 1.00 48.50 N +ATOM 1609 CA HIS A 109 -20.860 -58.815 -29.313 1.00 44.64 C +ATOM 1610 C HIS A 109 -21.196 -60.297 -29.468 1.00 46.03 C +ATOM 1611 O HIS A 109 -21.215 -61.064 -28.500 1.00 45.02 O +ATOM 1612 CB HIS A 109 -19.444 -58.537 -29.839 1.00 49.50 C +ATOM 1613 CG HIS A 109 -18.357 -59.224 -29.070 1.00 49.50 C +ATOM 1614 ND1 HIS A 109 -18.022 -60.546 -29.268 1.00 53.93 N +ATOM 1615 CE1 HIS A 109 -17.022 -60.872 -28.467 1.00 45.46 C +ATOM 1616 NE2 HIS A 109 -16.697 -59.809 -27.755 1.00 57.44 N +ATOM 1617 CD2 HIS A 109 -17.515 -58.764 -28.113 1.00 45.58 C +ATOM 1618 H HIS A 109 -21.111 -59.075 -27.189 1.00 0.00 H +ATOM 1619 HA HIS A 109 -21.564 -58.243 -29.917 1.00 0.00 H +ATOM 1620 HB3 HIS A 109 -19.263 -57.462 -29.838 1.00 0.00 H +ATOM 1621 HB2 HIS A 109 -19.384 -58.829 -30.888 1.00 0.00 H +ATOM 1622 HD1 HIS A 109 -18.526 -61.098 -29.947 1.00 0.00 H +ATOM 1623 HE1 HIS A 109 -16.622 -61.875 -28.484 1.00 0.00 H +ATOM 1624 HD2 HIS A 109 -17.582 -57.738 -27.782 1.00 0.00 H +ATOM 1625 N SER A 110 -21.474 -60.680 -30.712 1.00 43.43 N +ATOM 1626 CA SER A 110 -21.700 -62.084 -31.025 1.00 47.29 C +ATOM 1627 C SER A 110 -20.438 -62.887 -30.741 1.00 48.18 C +ATOM 1628 O SER A 110 -19.316 -62.423 -30.970 1.00 49.06 O +ATOM 1629 CB SER A 110 -22.116 -62.258 -32.486 1.00 42.74 C +ATOM 1630 OG SER A 110 -22.525 -63.596 -32.747 1.00 47.25 O +ATOM 1631 H SER A 110 -21.530 -59.994 -31.451 1.00 0.00 H +ATOM 1632 HA SER A 110 -22.501 -62.458 -30.388 1.00 0.00 H +ATOM 1633 HB3 SER A 110 -21.279 -62.001 -33.135 1.00 0.00 H +ATOM 1634 HB2 SER A 110 -22.936 -61.577 -32.713 1.00 0.00 H +ATOM 1635 HG SER A 110 -23.279 -63.591 -33.342 1.00 0.00 H +ATOM 1636 N HIS A 111 -20.636 -64.079 -30.193 1.00 45.65 N +ATOM 1637 CA HIS A 111 -19.574 -65.031 -29.908 1.00 43.89 C +ATOM 1638 C HIS A 111 -19.893 -66.348 -30.598 1.00 45.34 C +ATOM 1639 O HIS A 111 -19.724 -67.435 -30.040 1.00 51.18 O +ATOM 1640 CB HIS A 111 -19.376 -65.215 -28.402 1.00 41.91 C +ATOM 1641 CG HIS A 111 -17.943 -65.377 -28.001 1.00 56.56 C +ATOM 1642 ND1 HIS A 111 -17.122 -66.337 -28.552 1.00 47.91 N +ATOM 1643 CE1 HIS A 111 -15.918 -66.243 -28.019 1.00 52.14 C +ATOM 1644 NE2 HIS A 111 -15.930 -65.263 -27.132 1.00 55.12 N +ATOM 1645 CD2 HIS A 111 -17.184 -64.706 -27.101 1.00 54.16 C +ATOM 1646 H HIS A 111 -21.571 -64.373 -29.947 1.00 0.00 H +ATOM 1647 HA HIS A 111 -18.646 -64.642 -30.328 1.00 0.00 H +ATOM 1648 HB3 HIS A 111 -19.946 -66.081 -28.065 1.00 0.00 H +ATOM 1649 HB2 HIS A 111 -19.805 -64.363 -27.874 1.00 0.00 H +ATOM 1650 HD1 HIS A 111 -17.483 -66.970 -29.252 1.00 0.00 H +ATOM 1651 HE1 HIS A 111 -15.133 -66.913 -28.337 1.00 0.00 H +ATOM 1652 HD2 HIS A 111 -17.614 -63.898 -26.528 1.00 0.00 H +ATOM 1653 N LEU A 112 -20.401 -66.234 -31.824 1.00 51.06 N +ATOM 1654 CA LEU A 112 -20.716 -67.362 -32.684 1.00 51.10 C +ATOM 1655 C LEU A 112 -19.894 -67.216 -33.954 1.00 49.27 C +ATOM 1656 O LEU A 112 -20.011 -66.200 -34.651 1.00 47.86 O +ATOM 1657 CB LEU A 112 -22.207 -67.397 -33.020 1.00 49.29 C +ATOM 1658 CG LEU A 112 -22.529 -68.429 -34.094 1.00 44.83 C +ATOM 1659 CD1 LEU A 112 -22.216 -69.812 -33.550 1.00 47.92 C +ATOM 1660 CD2 LEU A 112 -23.981 -68.330 -34.556 1.00 44.85 C +ATOM 1661 H LEU A 112 -20.591 -65.320 -32.209 1.00 0.00 H +ATOM 1662 HA LEU A 112 -20.439 -68.288 -32.180 1.00 0.00 H +ATOM 1663 HB3 LEU A 112 -22.526 -66.411 -33.358 1.00 0.00 H +ATOM 1664 HB2 LEU A 112 -22.777 -67.622 -32.118 1.00 0.00 H +ATOM 1665 HG LEU A 112 -21.883 -68.244 -34.952 1.00 0.00 H +ATOM 1666 HD11 LEU A 112 -22.442 -70.561 -34.309 1.00 0.00 H +ATOM 1667 HD12 LEU A 112 -21.160 -69.869 -33.287 1.00 0.00 H +ATOM 1668 HD13 LEU A 112 -22.821 -70.000 -32.663 1.00 0.00 H +ATOM 1669 HD21 LEU A 112 -24.171 -69.082 -35.322 1.00 0.00 H +ATOM 1670 HD22 LEU A 112 -24.645 -68.499 -33.708 1.00 0.00 H +ATOM 1671 HD23 LEU A 112 -24.165 -67.338 -34.968 1.00 0.00 H +ATOM 1672 N SER A 113 -19.078 -68.231 -34.256 1.00 47.85 N +ATOM 1673 CA SER A 113 -18.223 -68.207 -35.439 1.00 51.87 C +ATOM 1674 C SER A 113 -17.628 -66.815 -35.645 1.00 57.14 C +ATOM 1675 O SER A 113 -16.933 -66.293 -34.769 1.00 65.39 O +ATOM 1676 CB SER A 113 -19.016 -68.638 -36.671 1.00 55.34 C +ATOM 1677 OG SER A 113 -18.156 -68.846 -37.781 1.00 73.46 O +ATOM 1678 H SER A 113 -19.041 -69.044 -33.658 1.00 0.00 H +ATOM 1679 HA SER A 113 -17.406 -68.913 -35.289 1.00 0.00 H +ATOM 1680 HB3 SER A 113 -19.748 -67.869 -36.918 1.00 0.00 H +ATOM 1681 HB2 SER A 113 -19.555 -69.560 -36.452 1.00 0.00 H +ATOM 1682 HG SER A 113 -17.330 -69.229 -37.478 1.00 0.00 H +ATOM 1683 N THR A 114 -17.951 -66.171 -36.765 1.00 47.78 N +ATOM 1684 CA THR A 114 -17.431 -64.839 -37.059 1.00 53.47 C +ATOM 1685 C THR A 114 -18.550 -63.813 -37.179 1.00 52.54 C +ATOM 1686 O THR A 114 -18.432 -62.824 -37.909 1.00 50.05 O +ATOM 1687 CB THR A 114 -16.603 -64.872 -38.336 1.00 55.43 C +ATOM 1688 OG1 THR A 114 -17.438 -65.336 -39.406 1.00 60.00 O +ATOM 1689 CG2 THR A 114 -15.414 -65.828 -38.159 1.00 54.31 C +ATOM 1690 H THR A 114 -18.570 -66.604 -37.436 1.00 0.00 H +ATOM 1691 HA THR A 114 -16.780 -64.539 -36.238 1.00 0.00 H +ATOM 1692 HB THR A 114 -16.238 -63.870 -38.563 1.00 0.00 H +ATOM 1693 HG1 THR A 114 -18.182 -64.739 -39.513 1.00 0.00 H +ATOM 1694 HG21 THR A 114 -14.824 -65.849 -39.075 1.00 0.00 H +ATOM 1695 HG22 THR A 114 -14.790 -65.484 -37.334 1.00 0.00 H +ATOM 1696 HG23 THR A 114 -15.782 -66.831 -37.942 1.00 0.00 H +ATOM 1697 N GLN A 115 -19.641 -64.034 -36.454 1.00 50.17 N +ATOM 1698 CA GLN A 115 -20.878 -63.315 -36.735 1.00 51.27 C +ATOM 1699 C GLN A 115 -20.842 -61.863 -36.259 1.00 62.80 C +ATOM 1700 O GLN A 115 -21.578 -61.032 -36.801 1.00 64.95 O +ATOM 1701 CB GLN A 115 -22.036 -64.075 -36.099 1.00 58.53 C +ATOM 1702 CG GLN A 115 -23.396 -63.465 -36.258 1.00 54.94 C +ATOM 1703 CD GLN A 115 -24.390 -64.167 -35.368 1.00 59.35 C +ATOM 1704 OE1 GLN A 115 -24.319 -64.058 -34.142 1.00 58.66 O +ATOM 1705 NE2 GLN A 115 -25.301 -64.915 -35.968 1.00 54.57 N +ATOM 1706 H GLN A 115 -19.619 -64.705 -35.700 1.00 0.00 H +ATOM 1707 HA GLN A 115 -21.029 -63.312 -37.815 1.00 0.00 H +ATOM 1708 HB3 GLN A 115 -21.830 -64.222 -35.039 1.00 0.00 H +ATOM 1709 HB2 GLN A 115 -22.052 -65.094 -36.485 1.00 0.00 H +ATOM 1710 HG3 GLN A 115 -23.714 -63.552 -37.297 1.00 0.00 H +ATOM 1711 HG2 GLN A 115 -23.353 -62.409 -35.992 1.00 0.00 H +ATOM 1712 HE22 GLN A 115 -25.991 -65.408 -35.419 1.00 0.00 H +ATOM 1713 HE21 GLN A 115 -25.306 -64.994 -36.975 1.00 0.00 H +ATOM 1714 N TYR A 116 -19.994 -61.525 -35.279 1.00 52.98 N +ATOM 1715 CA TYR A 116 -19.954 -60.140 -34.822 1.00 53.98 C +ATOM 1716 C TYR A 116 -19.235 -59.227 -35.814 1.00 55.80 C +ATOM 1717 O TYR A 116 -19.435 -58.004 -35.764 1.00 49.41 O +ATOM 1718 CB TYR A 116 -19.354 -60.062 -33.398 1.00 59.81 C +ATOM 1719 CG TYR A 116 -17.839 -59.887 -33.211 1.00 56.44 C +ATOM 1720 CD1 TYR A 116 -17.224 -58.664 -33.468 1.00 51.42 C +ATOM 1721 CE1 TYR A 116 -15.859 -58.470 -33.260 1.00 46.27 C +ATOM 1722 CZ TYR A 116 -15.091 -59.495 -32.762 1.00 47.57 C +ATOM 1723 OH TYR A 116 -13.743 -59.269 -32.561 1.00 41.74 O +ATOM 1724 CE2 TYR A 116 -15.675 -60.723 -32.459 1.00 41.84 C +ATOM 1725 CD2 TYR A 116 -17.048 -60.907 -32.668 1.00 48.84 C +ATOM 1726 H TYR A 116 -19.394 -62.225 -34.867 1.00 0.00 H +ATOM 1727 HA TYR A 116 -20.985 -59.794 -34.756 1.00 0.00 H +ATOM 1728 HB3 TYR A 116 -19.683 -60.930 -32.827 1.00 0.00 H +ATOM 1729 HB2 TYR A 116 -19.872 -59.284 -32.838 1.00 0.00 H +ATOM 1730 HD1 TYR A 116 -17.807 -57.834 -33.839 1.00 0.00 H +ATOM 1731 HE1 TYR A 116 -15.408 -57.516 -33.490 1.00 0.00 H +ATOM 1732 HH TYR A 116 -13.504 -58.413 -32.922 1.00 0.00 H +ATOM 1733 HE2 TYR A 116 -15.070 -61.526 -32.065 1.00 0.00 H +ATOM 1734 HD2 TYR A 116 -17.495 -61.854 -32.403 1.00 0.00 H +ATOM 1735 N CYS A 117 -18.441 -59.793 -36.735 1.00 49.92 N +ATOM 1736 CA CYS A 117 -17.845 -59.002 -37.811 1.00 49.45 C +ATOM 1737 C CYS A 117 -18.899 -58.439 -38.756 1.00 57.71 C +ATOM 1738 O CYS A 117 -18.631 -57.444 -39.436 1.00 56.46 O +ATOM 1739 CB CYS A 117 -16.843 -59.838 -38.633 1.00 58.40 C +ATOM 1740 SG CYS A 117 -15.499 -60.618 -37.682 1.00 59.22 S +ATOM 1741 H CYS A 117 -18.245 -60.783 -36.693 1.00 0.00 H +ATOM 1742 HA CYS A 117 -17.307 -58.167 -37.363 1.00 0.00 H +ATOM 1743 HB3 CYS A 117 -16.414 -59.216 -39.418 1.00 0.00 H +ATOM 1744 HB2 CYS A 117 -17.384 -60.605 -39.187 1.00 0.00 H +ATOM 1745 N ASP A 118 -20.081 -59.060 -38.830 1.00 44.38 N +ATOM 1746 CA ASP A 118 -21.147 -58.593 -39.709 1.00 48.59 C +ATOM 1747 C ASP A 118 -22.077 -57.601 -39.020 1.00 56.01 C +ATOM 1748 O ASP A 118 -23.196 -57.383 -39.488 1.00 57.59 O +ATOM 1749 CB ASP A 118 -21.947 -59.774 -40.259 1.00 56.07 C +ATOM 1750 CG ASP A 118 -21.124 -60.657 -41.178 1.00 58.25 C +ATOM 1751 OD1 ASP A 118 -20.544 -60.123 -42.163 1.00 53.68 O +ATOM 1752 OD2 ASP A 118 -21.048 -61.880 -40.901 1.00 58.84 O1- +ATOM 1753 H ASP A 118 -20.257 -59.879 -38.266 1.00 0.00 H +ATOM 1754 HA ASP A 118 -20.683 -58.083 -40.553 1.00 0.00 H +ATOM 1755 HB3 ASP A 118 -22.818 -59.402 -40.798 1.00 0.00 H +ATOM 1756 HB2 ASP A 118 -22.329 -60.370 -39.430 1.00 0.00 H +ATOM 1757 N GLY A 119 -21.639 -57.005 -37.913 1.00 52.72 N +ATOM 1758 CA GLY A 119 -22.305 -55.844 -37.368 1.00 48.22 C +ATOM 1759 C GLY A 119 -22.928 -56.005 -36.004 1.00 44.60 C +ATOM 1760 O GLY A 119 -23.429 -55.005 -35.474 1.00 53.39 O +ATOM 1761 H GLY A 119 -20.824 -57.363 -37.435 1.00 0.00 H +ATOM 1762 HA3 GLY A 119 -23.064 -55.502 -38.071 1.00 0.00 H +ATOM 1763 HA2 GLY A 119 -21.608 -55.007 -37.348 1.00 0.00 H +ATOM 1764 N LEU A 120 -22.946 -57.185 -35.372 1.00 44.96 N +ATOM 1765 CA LEU A 120 -23.540 -57.313 -34.035 1.00 47.02 C +ATOM 1766 C LEU A 120 -22.454 -57.068 -32.989 1.00 51.38 C +ATOM 1767 O LEU A 120 -21.822 -57.997 -32.485 1.00 67.01 O +ATOM 1768 CB LEU A 120 -24.214 -58.674 -33.863 1.00 43.69 C +ATOM 1769 CG LEU A 120 -25.320 -58.760 -32.795 1.00 46.80 C +ATOM 1770 CD1 LEU A 120 -25.977 -60.113 -32.765 1.00 46.80 C +ATOM 1771 CD2 LEU A 120 -24.803 -58.432 -31.401 1.00 43.68 C +ATOM 1772 H LEU A 120 -22.548 -58.001 -35.814 1.00 0.00 H +ATOM 1773 HA LEU A 120 -24.300 -56.540 -33.924 1.00 0.00 H +ATOM 1774 HB3 LEU A 120 -23.454 -59.427 -33.655 1.00 0.00 H +ATOM 1775 HB2 LEU A 120 -24.615 -59.000 -34.823 1.00 0.00 H +ATOM 1776 HG LEU A 120 -26.084 -58.025 -33.048 1.00 0.00 H +ATOM 1777 HD11 LEU A 120 -26.750 -60.125 -31.996 1.00 0.00 H +ATOM 1778 HD12 LEU A 120 -26.427 -60.320 -33.736 1.00 0.00 H +ATOM 1779 HD13 LEU A 120 -25.231 -60.875 -32.541 1.00 0.00 H +ATOM 1780 HD21 LEU A 120 -25.620 -58.506 -30.683 1.00 0.00 H +ATOM 1781 HD22 LEU A 120 -24.016 -59.136 -31.130 1.00 0.00 H +ATOM 1782 HD23 LEU A 120 -24.402 -57.418 -31.391 1.00 0.00 H +ATOM 1783 N ARG A 121 -22.263 -55.800 -32.625 1.00 62.83 N +ATOM 1784 CA ARG A 121 -21.228 -55.392 -31.678 1.00 52.10 C +ATOM 1785 C ARG A 121 -21.512 -53.973 -31.214 1.00 54.11 C +ATOM 1786 O ARG A 121 -21.806 -53.096 -32.038 1.00 42.34 O +ATOM 1787 CB ARG A 121 -19.836 -55.465 -32.318 1.00 42.36 C +ATOM 1788 CG ARG A 121 -19.843 -55.011 -33.766 1.00 43.12 C +ATOM 1789 CD ARG A 121 -18.453 -54.942 -34.321 1.00 39.69 C +ATOM 1790 NE ARG A 121 -18.452 -54.557 -35.721 1.00 45.82 N +ATOM 1791 CZ ARG A 121 -17.365 -54.534 -36.486 1.00 57.36 C +ATOM 1792 NH1 ARG A 121 -16.188 -54.877 -35.978 1.00 57.77 N +ATOM 1793 NH2 ARG A 121 -17.453 -54.165 -37.756 1.00 48.84 N1+ +ATOM 1794 H ARG A 121 -22.848 -55.071 -33.008 1.00 0.00 H +ATOM 1795 HA ARG A 121 -21.256 -56.058 -30.816 1.00 0.00 H +ATOM 1796 HB3 ARG A 121 -19.464 -56.488 -32.261 1.00 0.00 H +ATOM 1797 HB2 ARG A 121 -19.142 -54.847 -31.748 1.00 0.00 H +ATOM 1798 HG3 ARG A 121 -20.311 -54.029 -33.836 1.00 0.00 H +ATOM 1799 HG2 ARG A 121 -20.437 -55.705 -34.361 1.00 0.00 H +ATOM 1800 HD3 ARG A 121 -17.970 -55.913 -34.212 1.00 0.00 H +ATOM 1801 HD2 ARG A 121 -17.868 -54.223 -33.747 1.00 0.00 H +ATOM 1802 HE ARG A 121 -19.348 -54.296 -36.108 1.00 0.00 H +ATOM 1803 HH12 ARG A 121 -15.362 -54.859 -36.560 1.00 0.00 H +ATOM 1804 HH11 ARG A 121 -16.118 -55.156 -35.010 1.00 0.00 H +ATOM 1805 HH22 ARG A 121 -16.626 -54.148 -38.335 1.00 0.00 H +ATOM 1806 HH21 ARG A 121 -18.347 -53.901 -38.144 1.00 0.00 H +ATOM 1807 N GLY A 122 -21.399 -53.743 -29.901 1.00 53.40 N +ATOM 1808 CA GLY A 122 -21.770 -52.464 -29.340 1.00 45.28 C +ATOM 1809 C GLY A 122 -21.187 -52.144 -27.978 1.00 46.46 C +ATOM 1810 O GLY A 122 -20.949 -53.026 -27.148 1.00 51.41 O +ATOM 1811 H GLY A 122 -21.051 -54.468 -29.289 1.00 0.00 H +ATOM 1812 HA3 GLY A 122 -22.857 -52.394 -29.292 1.00 0.00 H +ATOM 1813 HA2 GLY A 122 -21.503 -51.673 -30.041 1.00 0.00 H +ATOM 1814 N PRO A 123 -20.979 -50.856 -27.713 1.00 52.71 N +ATOM 1815 CA PRO A 123 -20.381 -50.452 -26.437 1.00 38.10 C +ATOM 1816 C PRO A 123 -21.343 -50.624 -25.271 1.00 45.15 C +ATOM 1817 O PRO A 123 -22.574 -50.593 -25.422 1.00 48.38 O +ATOM 1818 CB PRO A 123 -20.062 -48.970 -26.655 1.00 42.22 C +ATOM 1819 CG PRO A 123 -21.194 -48.514 -27.607 1.00 42.07 C +ATOM 1820 CD PRO A 123 -21.364 -49.691 -28.544 1.00 47.49 C +ATOM 1821 HA PRO A 123 -19.464 -51.013 -26.256 1.00 0.00 H +ATOM 1822 HB3 PRO A 123 -19.104 -48.880 -27.167 1.00 0.00 H +ATOM 1823 HB2 PRO A 123 -20.154 -48.439 -25.707 1.00 0.00 H +ATOM 1824 HG3 PRO A 123 -20.859 -47.647 -28.176 1.00 0.00 H +ATOM 1825 HG2 PRO A 123 -22.111 -48.374 -27.035 1.00 0.00 H +ATOM 1826 HD2 PRO A 123 -22.414 -49.780 -28.824 1.00 0.00 H +ATOM 1827 HD3 PRO A 123 -20.665 -49.594 -29.374 1.00 0.00 H +ATOM 1828 N ILE A 124 -20.744 -50.800 -24.097 1.00 41.28 N +ATOM 1829 CA ILE A 124 -21.419 -50.838 -22.809 1.00 48.22 C +ATOM 1830 C ILE A 124 -20.641 -49.936 -21.869 1.00 47.93 C +ATOM 1831 O ILE A 124 -19.421 -50.079 -21.744 1.00 50.48 O +ATOM 1832 CB ILE A 124 -21.456 -52.249 -22.205 1.00 52.57 C +ATOM 1833 CG1 ILE A 124 -22.179 -53.234 -23.106 1.00 43.16 C +ATOM 1834 CD1 ILE A 124 -21.849 -54.674 -22.735 1.00 41.30 C +ATOM 1835 CG2 ILE A 124 -22.068 -52.193 -20.813 1.00 51.96 C +ATOM 1836 H ILE A 124 -19.742 -50.921 -24.054 1.00 0.00 H +ATOM 1837 HA ILE A 124 -22.436 -50.461 -22.918 1.00 0.00 H +ATOM 1838 HB ILE A 124 -20.426 -52.591 -22.100 1.00 0.00 H +ATOM 1839 HG13 ILE A 124 -21.896 -53.053 -24.143 1.00 0.00 H +ATOM 1840 HG12 ILE A 124 -23.255 -53.076 -23.027 1.00 0.00 H +ATOM 1841 HD11 ILE A 124 -22.383 -55.353 -23.400 1.00 0.00 H +ATOM 1842 HD12 ILE A 124 -20.776 -54.839 -22.834 1.00 0.00 H +ATOM 1843 HD13 ILE A 124 -22.151 -54.863 -21.705 1.00 0.00 H +ATOM 1844 HG21 ILE A 124 -22.093 -53.196 -20.386 1.00 0.00 H +ATOM 1845 HG22 ILE A 124 -21.467 -51.543 -20.177 1.00 0.00 H +ATOM 1846 HG23 ILE A 124 -23.083 -51.800 -20.877 1.00 0.00 H +ATOM 1847 N VAL A 125 -21.335 -49.038 -21.183 1.00 46.28 N +ATOM 1848 CA VAL A 125 -20.703 -48.167 -20.203 1.00 45.82 C +ATOM 1849 C VAL A 125 -21.414 -48.377 -18.885 1.00 49.03 C +ATOM 1850 O VAL A 125 -22.644 -48.256 -18.817 1.00 43.94 O +ATOM 1851 CB VAL A 125 -20.751 -46.690 -20.624 1.00 40.82 C +ATOM 1852 CG1 VAL A 125 -19.968 -45.839 -19.619 1.00 39.12 C +ATOM 1853 CG2 VAL A 125 -20.177 -46.566 -22.023 1.00 39.43 C +ATOM 1854 H VAL A 125 -22.329 -48.945 -21.334 1.00 0.00 H +ATOM 1855 HA VAL A 125 -19.661 -48.465 -20.090 1.00 0.00 H +ATOM 1856 HB VAL A 125 -21.789 -46.358 -20.636 1.00 0.00 H +ATOM 1857 HG11 VAL A 125 -20.005 -44.793 -19.922 1.00 0.00 H +ATOM 1858 HG12 VAL A 125 -20.411 -45.946 -18.629 1.00 0.00 H +ATOM 1859 HG13 VAL A 125 -18.931 -46.172 -19.591 1.00 0.00 H +ATOM 1860 HG21 VAL A 125 -20.204 -45.522 -22.336 1.00 0.00 H +ATOM 1861 HG22 VAL A 125 -19.146 -46.919 -22.026 1.00 0.00 H +ATOM 1862 HG23 VAL A 125 -20.768 -47.168 -22.713 1.00 0.00 H +ATOM 1863 N VAL A 126 -20.643 -48.717 -17.857 1.00 47.84 N +ATOM 1864 CA VAL A 126 -21.116 -48.910 -16.492 1.00 49.80 C +ATOM 1865 C VAL A 126 -20.542 -47.752 -15.687 1.00 54.19 C +ATOM 1866 O VAL A 126 -19.363 -47.773 -15.315 1.00 51.03 O +ATOM 1867 CB VAL A 126 -20.673 -50.258 -15.909 1.00 47.48 C +ATOM 1868 CG1 VAL A 126 -21.161 -50.412 -14.449 1.00 39.43 C +ATOM 1869 CG2 VAL A 126 -21.164 -51.401 -16.764 1.00 44.73 C +ATOM 1870 H VAL A 126 -19.653 -48.860 -17.994 1.00 0.00 H +ATOM 1871 HA VAL A 126 -22.204 -48.853 -16.478 1.00 0.00 H +ATOM 1872 HB VAL A 126 -19.583 -50.283 -15.905 1.00 0.00 H +ATOM 1873 HG11 VAL A 126 -20.835 -51.375 -14.056 1.00 0.00 H +ATOM 1874 HG12 VAL A 126 -20.743 -49.611 -13.839 1.00 0.00 H +ATOM 1875 HG13 VAL A 126 -22.249 -50.358 -14.422 1.00 0.00 H +ATOM 1876 HG21 VAL A 126 -20.837 -52.346 -16.330 1.00 0.00 H +ATOM 1877 HG22 VAL A 126 -22.253 -51.380 -16.810 1.00 0.00 H +ATOM 1878 HG23 VAL A 126 -20.757 -51.304 -17.770 1.00 0.00 H +ATOM 1879 N TYR A 127 -21.361 -46.739 -15.428 1.00 45.26 N +ATOM 1880 CA TYR A 127 -20.880 -45.545 -14.753 1.00 52.39 C +ATOM 1881 C TYR A 127 -20.675 -45.822 -13.267 1.00 55.24 C +ATOM 1882 O TYR A 127 -21.293 -46.722 -12.685 1.00 48.96 O +ATOM 1883 CB TYR A 127 -21.859 -44.387 -14.973 1.00 49.34 C +ATOM 1884 CG TYR A 127 -21.904 -43.981 -16.433 1.00 50.94 C +ATOM 1885 CD1 TYR A 127 -22.819 -44.563 -17.305 1.00 48.62 C +ATOM 1886 CE1 TYR A 127 -22.854 -44.211 -18.632 1.00 54.02 C +ATOM 1887 CZ TYR A 127 -21.949 -43.285 -19.117 1.00 44.37 C +ATOM 1888 OH TYR A 127 -21.982 -42.951 -20.437 1.00 52.45 O +ATOM 1889 CE2 TYR A 127 -21.019 -42.701 -18.284 1.00 50.99 C +ATOM 1890 CD2 TYR A 127 -20.996 -43.055 -16.948 1.00 49.23 C +ATOM 1891 H TYR A 127 -22.332 -46.792 -15.701 1.00 0.00 H +ATOM 1892 HA TYR A 127 -19.919 -45.269 -15.187 1.00 0.00 H +ATOM 1893 HB3 TYR A 127 -21.553 -43.533 -14.368 1.00 0.00 H +ATOM 1894 HB2 TYR A 127 -22.855 -44.688 -14.649 1.00 0.00 H +ATOM 1895 HD1 TYR A 127 -23.516 -45.304 -16.941 1.00 0.00 H +ATOM 1896 HE1 TYR A 127 -23.585 -44.657 -19.290 1.00 0.00 H +ATOM 1897 HH TYR A 127 -21.299 -42.302 -20.621 1.00 0.00 H +ATOM 1898 HE2 TYR A 127 -20.321 -41.977 -18.678 1.00 0.00 H +ATOM 1899 HD2 TYR A 127 -20.260 -42.603 -16.300 1.00 0.00 H +ATOM 1900 N ASP A 128 -19.763 -45.063 -12.664 1.00 50.66 N +ATOM 1901 CA ASP A 128 -19.498 -45.183 -11.237 1.00 47.75 C +ATOM 1902 C ASP A 128 -19.991 -43.932 -10.529 1.00 54.07 C +ATOM 1903 O ASP A 128 -19.364 -42.866 -10.656 1.00 49.93 O +ATOM 1904 CB ASP A 128 -18.008 -45.403 -10.973 1.00 51.07 C +ATOM 1905 CG ASP A 128 -17.708 -45.748 -9.505 1.00 58.46 C +ATOM 1906 OD1 ASP A 128 -18.573 -45.536 -8.634 1.00 55.01 O +ATOM 1907 OD2 ASP A 128 -16.597 -46.241 -9.219 1.00 69.42 O1- +ATOM 1908 H ASP A 128 -19.237 -44.386 -13.197 1.00 0.00 H +ATOM 1909 HA ASP A 128 -20.050 -46.041 -10.852 1.00 0.00 H +ATOM 1910 HB3 ASP A 128 -17.454 -44.508 -11.255 1.00 0.00 H +ATOM 1911 HB2 ASP A 128 -17.641 -46.203 -11.615 1.00 0.00 H +ATOM 1912 N PRO A 129 -21.095 -44.011 -9.779 1.00 56.16 N +ATOM 1913 CA PRO A 129 -21.553 -42.842 -9.005 1.00 53.44 C +ATOM 1914 C PRO A 129 -20.462 -42.213 -8.170 1.00 55.12 C +ATOM 1915 O PRO A 129 -20.528 -41.013 -7.880 1.00 63.19 O +ATOM 1916 CB PRO A 129 -22.660 -43.423 -8.111 1.00 50.48 C +ATOM 1917 CG PRO A 129 -23.159 -44.617 -8.866 1.00 62.15 C +ATOM 1918 CD PRO A 129 -21.962 -45.187 -9.590 1.00 52.64 C +ATOM 1919 HA PRO A 129 -21.977 -42.097 -9.679 1.00 0.00 H +ATOM 1920 HB3 PRO A 129 -23.465 -42.695 -8.014 1.00 0.00 H +ATOM 1921 HB2 PRO A 129 -22.226 -43.749 -7.166 1.00 0.00 H +ATOM 1922 HG3 PRO A 129 -23.905 -44.299 -9.594 1.00 0.00 H +ATOM 1923 HG2 PRO A 129 -23.542 -45.356 -8.162 1.00 0.00 H +ATOM 1924 HD2 PRO A 129 -21.458 -45.905 -8.943 1.00 0.00 H +ATOM 1925 HD3 PRO A 129 -22.276 -45.563 -10.564 1.00 0.00 H +ATOM 1926 N GLN A 130 -19.453 -42.982 -7.775 1.00 54.09 N +ATOM 1927 CA GLN A 130 -18.355 -42.473 -6.963 1.00 50.88 C +ATOM 1928 C GLN A 130 -17.033 -42.571 -7.713 1.00 49.36 C +ATOM 1929 O GLN A 130 -15.983 -42.786 -7.097 1.00 54.78 O +ATOM 1930 CB GLN A 130 -18.278 -43.227 -5.630 1.00 57.53 C +ATOM 1931 CG GLN A 130 -18.802 -42.460 -4.405 1.00 59.14 C +ATOM 1932 CD GLN A 130 -20.297 -42.217 -4.437 1.00 72.74 C +ATOM 1933 OE1 GLN A 130 -20.701 -40.980 -4.151 1.00 92.34 O +ATOM 1934 NE2 GLN A 130 -21.082 -43.120 -4.731 1.00 74.05 N +ATOM 1935 H GLN A 130 -19.429 -43.957 -8.037 1.00 0.00 H +ATOM 1936 HA GLN A 130 -18.548 -41.422 -6.749 1.00 0.00 H +ATOM 1937 HB3 GLN A 130 -17.248 -43.534 -5.449 1.00 0.00 H +ATOM 1938 HB2 GLN A 130 -18.814 -44.172 -5.719 1.00 0.00 H +ATOM 1939 HG3 GLN A 130 -18.282 -41.505 -4.326 1.00 0.00 H +ATOM 1940 HG2 GLN A 130 -18.544 -43.007 -3.498 1.00 0.00 H +ATOM 1941 HE22 GLN A 130 -22.076 -42.940 -4.747 1.00 0.00 H +ATOM 1942 HE21 GLN A 130 -20.732 -44.040 -4.956 1.00 0.00 H +ATOM 1943 N ASP A 131 -17.080 -42.428 -9.044 1.00 44.35 N +ATOM 1944 CA ASP A 131 -15.914 -42.660 -9.887 1.00 44.55 C +ATOM 1945 C ASP A 131 -14.710 -41.897 -9.339 1.00 49.56 C +ATOM 1946 O ASP A 131 -14.839 -40.719 -8.978 1.00 63.65 O +ATOM 1947 CB ASP A 131 -16.204 -42.242 -11.335 1.00 50.70 C +ATOM 1948 CG ASP A 131 -15.196 -42.816 -12.341 1.00 47.32 C +ATOM 1949 OD1 ASP A 131 -13.985 -42.777 -12.076 1.00 57.76 O +ATOM 1950 OD2 ASP A 131 -15.613 -43.308 -13.409 1.00 52.44 O1- +ATOM 1951 H ASP A 131 -17.942 -42.152 -9.492 1.00 0.00 H +ATOM 1952 HA ASP A 131 -15.684 -43.725 -9.874 1.00 0.00 H +ATOM 1953 HB3 ASP A 131 -16.205 -41.154 -11.404 1.00 0.00 H +ATOM 1954 HB2 ASP A 131 -17.210 -42.560 -11.609 1.00 0.00 H +ATOM 1955 N PRO A 132 -13.553 -42.545 -9.207 1.00 60.78 N +ATOM 1956 CA PRO A 132 -12.367 -41.865 -8.638 1.00 59.46 C +ATOM 1957 C PRO A 132 -11.831 -40.699 -9.461 1.00 62.48 C +ATOM 1958 O PRO A 132 -11.166 -39.820 -8.899 1.00 58.49 O +ATOM 1959 CB PRO A 132 -11.322 -42.991 -8.550 1.00 53.71 C +ATOM 1960 CG PRO A 132 -12.114 -44.263 -8.497 1.00 50.49 C +ATOM 1961 CD PRO A 132 -13.460 -44.016 -9.161 1.00 43.62 C +ATOM 1962 HA PRO A 132 -12.602 -41.516 -7.633 1.00 0.00 H +ATOM 1963 HB3 PRO A 132 -10.750 -42.882 -7.628 1.00 0.00 H +ATOM 1964 HB2 PRO A 132 -10.707 -42.985 -9.450 1.00 0.00 H +ATOM 1965 HG3 PRO A 132 -12.270 -44.551 -7.457 1.00 0.00 H +ATOM 1966 HG2 PRO A 132 -11.581 -45.045 -9.037 1.00 0.00 H +ATOM 1967 HD2 PRO A 132 -13.437 -44.407 -10.178 1.00 0.00 H +ATOM 1968 HD3 PRO A 132 -14.253 -44.407 -8.524 1.00 0.00 H +ATOM 1969 N HIS A 133 -12.059 -40.667 -10.772 1.00 65.37 N +ATOM 1970 CA HIS A 133 -11.528 -39.600 -11.612 1.00 56.19 C +ATOM 1971 C HIS A 133 -12.586 -38.583 -12.007 1.00 55.82 C +ATOM 1972 O HIS A 133 -12.320 -37.744 -12.876 1.00 57.99 O +ATOM 1973 CB HIS A 133 -10.893 -40.177 -12.876 1.00 60.65 C +ATOM 1974 CG HIS A 133 -9.738 -41.087 -12.620 1.00 56.46 C +ATOM 1975 ND1 HIS A 133 -8.643 -40.944 -11.837 1.00 63.62 N1+ +ATOM 1976 CE1 HIS A 133 -7.885 -42.080 -11.992 1.00 58.32 C +ATOM 1977 NE2 HIS A 133 -8.492 -42.890 -12.841 1.00 50.85 N +ATOM 1978 CD2 HIS A 133 -9.610 -42.311 -13.242 1.00 52.57 C +ATOM 1979 H HIS A 133 -12.611 -41.393 -11.206 1.00 0.00 H +ATOM 1980 HA HIS A 133 -10.752 -39.081 -11.050 1.00 0.00 H +ATOM 1981 HB3 HIS A 133 -10.573 -39.361 -13.524 1.00 0.00 H +ATOM 1982 HB2 HIS A 133 -11.651 -40.709 -13.451 1.00 0.00 H +ATOM 1983 HD1 HIS A 133 -8.513 -40.048 -11.248 1.00 0.00 H +ATOM 1984 HE1 HIS A 133 -7.004 -42.350 -11.578 1.00 0.00 H +ATOM 1985 HD2 HIS A 133 -10.319 -42.625 -13.889 1.00 0.00 H +ATOM 1986 HE2 HIS A 133 -8.225 -43.867 -13.216 1.00 0.00 H +ATOM 1987 N ALA A 134 -13.777 -38.649 -11.394 1.00 50.36 N +ATOM 1988 CA ALA A 134 -14.883 -37.752 -11.744 1.00 48.40 C +ATOM 1989 C ALA A 134 -14.442 -36.302 -11.776 1.00 49.33 C +ATOM 1990 O ALA A 134 -14.874 -35.527 -12.634 1.00 53.03 O +ATOM 1991 CB ALA A 134 -16.030 -37.900 -10.741 1.00 45.12 C +ATOM 1992 H ALA A 134 -13.933 -39.332 -10.667 1.00 0.00 H +ATOM 1993 HA ALA A 134 -15.250 -38.024 -12.733 1.00 0.00 H +ATOM 1994 HB1 ALA A 134 -16.843 -37.227 -11.016 1.00 0.00 H +ATOM 1995 HB2 ALA A 134 -16.391 -38.928 -10.751 1.00 0.00 H +ATOM 1996 HB3 ALA A 134 -15.674 -37.650 -9.742 1.00 0.00 H +ATOM 1997 N SER A 135 -13.580 -35.916 -10.845 1.00 61.34 N +ATOM 1998 CA SER A 135 -13.206 -34.519 -10.760 1.00 58.87 C +ATOM 1999 C SER A 135 -12.335 -34.079 -11.928 1.00 47.65 C +ATOM 2000 O SER A 135 -12.058 -32.887 -12.032 1.00 49.99 O +ATOM 2001 CB SER A 135 -12.494 -34.249 -9.430 1.00 51.57 C +ATOM 2002 OG SER A 135 -11.189 -34.799 -9.446 1.00 55.31 O +ATOM 2003 H SER A 135 -13.191 -36.593 -10.205 1.00 0.00 H +ATOM 2004 HA SER A 135 -14.119 -33.925 -10.779 1.00 0.00 H +ATOM 2005 HB3 SER A 135 -13.065 -34.694 -8.615 1.00 0.00 H +ATOM 2006 HB2 SER A 135 -12.433 -33.174 -9.263 1.00 0.00 H +ATOM 2007 HG SER A 135 -10.682 -34.401 -10.158 1.00 0.00 H +ATOM 2008 N LEU A 136 -11.925 -34.987 -12.821 1.00 60.09 N +ATOM 2009 CA LEU A 136 -11.075 -34.631 -13.960 1.00 51.65 C +ATOM 2010 C LEU A 136 -11.850 -34.297 -15.239 1.00 46.92 C +ATOM 2011 O LEU A 136 -11.221 -33.998 -16.257 1.00 54.24 O +ATOM 2012 CB LEU A 136 -10.092 -35.768 -14.276 1.00 53.52 C +ATOM 2013 CG LEU A 136 -9.010 -36.250 -13.307 1.00 54.37 C +ATOM 2014 CD1 LEU A 136 -8.098 -35.104 -12.864 1.00 44.41 C +ATOM 2015 CD2 LEU A 136 -8.197 -37.374 -13.983 1.00 38.55 C +ATOM 2016 H LEU A 136 -12.201 -35.953 -12.722 1.00 0.00 H +ATOM 2017 HA LEU A 136 -10.493 -33.752 -13.682 1.00 0.00 H +ATOM 2018 HB3 LEU A 136 -9.628 -35.566 -15.241 1.00 0.00 H +ATOM 2019 HB2 LEU A 136 -10.661 -36.633 -14.618 1.00 0.00 H +ATOM 2020 HG LEU A 136 -9.498 -36.662 -12.424 1.00 0.00 H +ATOM 2021 HD11 LEU A 136 -7.343 -35.485 -12.177 1.00 0.00 H +ATOM 2022 HD12 LEU A 136 -7.609 -34.670 -13.736 1.00 0.00 H +ATOM 2023 HD13 LEU A 136 -8.692 -34.339 -12.363 1.00 0.00 H +ATOM 2024 HD21 LEU A 136 -7.423 -37.724 -13.300 1.00 0.00 H +ATOM 2025 HD22 LEU A 136 -8.860 -38.202 -14.235 1.00 0.00 H +ATOM 2026 HD23 LEU A 136 -7.733 -36.991 -14.892 1.00 0.00 H +ATOM 2027 N TYR A 137 -13.180 -34.372 -15.242 1.00 48.32 N +ATOM 2028 CA TYR A 137 -13.920 -34.138 -16.477 1.00 47.24 C +ATOM 2029 C TYR A 137 -15.306 -33.609 -16.161 1.00 49.96 C +ATOM 2030 O TYR A 137 -15.886 -33.930 -15.121 1.00 57.06 O +ATOM 2031 CB TYR A 137 -14.038 -35.407 -17.347 1.00 39.55 C +ATOM 2032 CG TYR A 137 -14.488 -36.648 -16.607 1.00 47.39 C +ATOM 2033 CD1 TYR A 137 -15.830 -36.862 -16.302 1.00 45.23 C +ATOM 2034 CE1 TYR A 137 -16.236 -38.005 -15.625 1.00 51.94 C +ATOM 2035 CZ TYR A 137 -15.292 -38.952 -15.262 1.00 52.10 C +ATOM 2036 OH TYR A 137 -15.665 -40.090 -14.589 1.00 54.67 O +ATOM 2037 CE2 TYR A 137 -13.967 -38.764 -15.564 1.00 45.83 C +ATOM 2038 CD2 TYR A 137 -13.571 -37.623 -16.235 1.00 43.69 C +ATOM 2039 H TYR A 137 -13.675 -34.591 -14.389 1.00 0.00 H +ATOM 2040 HA TYR A 137 -13.390 -33.379 -17.053 1.00 0.00 H +ATOM 2041 HB3 TYR A 137 -13.081 -35.603 -17.831 1.00 0.00 H +ATOM 2042 HB2 TYR A 137 -14.720 -35.214 -18.176 1.00 0.00 H +ATOM 2043 HD1 TYR A 137 -16.573 -36.134 -16.592 1.00 0.00 H +ATOM 2044 HE1 TYR A 137 -17.279 -38.149 -15.386 1.00 0.00 H +ATOM 2045 HH TYR A 137 -14.890 -40.630 -14.419 1.00 0.00 H +ATOM 2046 HE2 TYR A 137 -13.237 -39.507 -15.277 1.00 0.00 H +ATOM 2047 HD2 TYR A 137 -12.524 -37.498 -16.470 1.00 0.00 H +ATOM 2048 N ASP A 138 -15.837 -32.806 -17.090 1.00 48.73 N +ATOM 2049 CA ASP A 138 -17.167 -32.215 -16.964 1.00 44.23 C +ATOM 2050 C ASP A 138 -18.262 -32.977 -17.682 1.00 40.21 C +ATOM 2051 O ASP A 138 -19.440 -32.782 -17.364 1.00 44.63 O +ATOM 2052 CB ASP A 138 -17.174 -30.792 -17.513 1.00 42.47 C +ATOM 2053 CG ASP A 138 -16.090 -29.954 -16.918 1.00 50.54 C +ATOM 2054 OD1 ASP A 138 -15.850 -30.104 -15.703 1.00 57.67 O +ATOM 2055 OD2 ASP A 138 -15.464 -29.185 -17.672 1.00 59.39 O1- +ATOM 2056 H ASP A 138 -15.313 -32.584 -17.925 1.00 0.00 H +ATOM 2057 HA ASP A 138 -17.421 -32.172 -15.905 1.00 0.00 H +ATOM 2058 HB3 ASP A 138 -18.141 -30.331 -17.312 1.00 0.00 H +ATOM 2059 HB2 ASP A 138 -17.057 -30.821 -18.596 1.00 0.00 H +ATOM 2060 N VAL A 139 -17.919 -33.786 -18.675 1.00 47.56 N +ATOM 2061 CA VAL A 139 -18.910 -34.390 -19.553 1.00 44.38 C +ATOM 2062 C VAL A 139 -18.545 -35.849 -19.743 1.00 46.45 C +ATOM 2063 O VAL A 139 -17.405 -36.173 -20.089 1.00 50.23 O +ATOM 2064 CB VAL A 139 -18.993 -33.663 -20.909 1.00 43.95 C +ATOM 2065 CG1 VAL A 139 -19.847 -34.453 -21.903 1.00 43.37 C +ATOM 2066 CG2 VAL A 139 -19.566 -32.265 -20.709 1.00 41.75 C +ATOM 2067 H VAL A 139 -16.946 -33.999 -18.840 1.00 0.00 H +ATOM 2068 HA VAL A 139 -19.885 -34.335 -19.068 1.00 0.00 H +ATOM 2069 HB VAL A 139 -17.986 -33.570 -21.315 1.00 0.00 H +ATOM 2070 HG11 VAL A 139 -19.889 -33.918 -22.852 1.00 0.00 H +ATOM 2071 HG12 VAL A 139 -19.405 -35.437 -22.061 1.00 0.00 H +ATOM 2072 HG13 VAL A 139 -20.856 -34.567 -21.506 1.00 0.00 H +ATOM 2073 HG21 VAL A 139 -19.623 -31.754 -21.670 1.00 0.00 H +ATOM 2074 HG22 VAL A 139 -20.564 -32.339 -20.278 1.00 0.00 H +ATOM 2075 HG23 VAL A 139 -18.921 -31.700 -20.036 1.00 0.00 H +ATOM 2076 N ASP A 140 -19.512 -36.728 -19.521 1.00 48.11 N +ATOM 2077 CA ASP A 140 -19.259 -38.155 -19.667 1.00 51.80 C +ATOM 2078 C ASP A 140 -20.602 -38.794 -20.037 1.00 43.21 C +ATOM 2079 O ASP A 140 -21.354 -39.267 -19.190 1.00 49.10 O +ATOM 2080 CB ASP A 140 -18.655 -38.732 -18.383 1.00 45.39 C +ATOM 2081 CG ASP A 140 -18.548 -40.236 -18.402 1.00 54.55 C +ATOM 2082 OD1 ASP A 140 -18.701 -40.857 -17.322 1.00 66.51 O +ATOM 2083 OD2 ASP A 140 -18.319 -40.792 -19.500 1.00 58.85 O1- +ATOM 2084 H ASP A 140 -20.431 -36.410 -19.249 1.00 0.00 H +ATOM 2085 HA ASP A 140 -18.557 -38.307 -20.487 1.00 0.00 H +ATOM 2086 HB3 ASP A 140 -19.257 -38.423 -17.529 1.00 0.00 H +ATOM 2087 HB2 ASP A 140 -17.667 -38.301 -18.222 1.00 0.00 H +ATOM 2088 N ASP A 141 -20.931 -38.788 -21.331 1.00 52.12 N +ATOM 2089 CA ASP A 141 -22.254 -39.267 -21.727 1.00 51.43 C +ATOM 2090 C ASP A 141 -22.157 -40.036 -23.038 1.00 54.34 C +ATOM 2091 O ASP A 141 -21.069 -40.380 -23.510 1.00 55.55 O +ATOM 2092 CB ASP A 141 -23.281 -38.121 -21.791 1.00 55.61 C +ATOM 2093 CG ASP A 141 -22.898 -37.025 -22.757 1.00 52.85 C +ATOM 2094 OD1 ASP A 141 -22.035 -37.265 -23.627 1.00 59.76 O +ATOM 2095 OD2 ASP A 141 -23.476 -35.911 -22.653 1.00 59.12 O1- +ATOM 2096 H ASP A 141 -20.270 -38.456 -22.019 1.00 0.00 H +ATOM 2097 HA ASP A 141 -22.591 -39.966 -20.962 1.00 0.00 H +ATOM 2098 HB3 ASP A 141 -23.412 -37.697 -20.796 1.00 0.00 H +ATOM 2099 HB2 ASP A 141 -24.255 -38.523 -22.068 1.00 0.00 H +ATOM 2100 N ASP A 142 -23.334 -40.323 -23.598 1.00 51.96 N +ATOM 2101 CA ASP A 142 -23.439 -41.079 -24.836 1.00 53.19 C +ATOM 2102 C ASP A 142 -22.617 -40.447 -25.946 1.00 44.86 C +ATOM 2103 O ASP A 142 -22.086 -41.158 -26.800 1.00 54.32 O +ATOM 2104 CB ASP A 142 -24.907 -41.161 -25.240 1.00 55.25 C +ATOM 2105 CG ASP A 142 -25.551 -39.785 -25.301 1.00 71.00 C +ATOM 2106 OD1 ASP A 142 -25.845 -39.215 -24.221 1.00 65.31 O +ATOM 2107 OD2 ASP A 142 -25.733 -39.263 -26.424 1.00 77.00 O1- +ATOM 2108 H ASP A 142 -24.190 -40.013 -23.161 1.00 0.00 H +ATOM 2109 HA ASP A 142 -23.069 -42.089 -24.660 1.00 0.00 H +ATOM 2110 HB3 ASP A 142 -25.446 -41.782 -24.525 1.00 0.00 H +ATOM 2111 HB2 ASP A 142 -24.989 -41.643 -26.214 1.00 0.00 H +ATOM 2112 N SER A 143 -22.472 -39.120 -25.927 1.00 45.50 N +ATOM 2113 CA SER A 143 -21.684 -38.414 -26.930 1.00 51.53 C +ATOM 2114 C SER A 143 -20.175 -38.569 -26.754 1.00 46.73 C +ATOM 2115 O SER A 143 -19.427 -38.112 -27.620 1.00 50.73 O +ATOM 2116 CB SER A 143 -22.034 -36.917 -26.921 1.00 47.12 C +ATOM 2117 OG SER A 143 -21.450 -36.288 -25.791 1.00 47.82 O +ATOM 2118 H SER A 143 -22.915 -38.574 -25.202 1.00 0.00 H +ATOM 2119 HA SER A 143 -21.950 -38.815 -27.908 1.00 0.00 H +ATOM 2120 HB3 SER A 143 -23.117 -36.798 -26.884 1.00 0.00 H +ATOM 2121 HB2 SER A 143 -21.657 -36.451 -27.831 1.00 0.00 H +ATOM 2122 HG SER A 143 -21.785 -36.695 -24.989 1.00 0.00 H +ATOM 2123 N THR A 144 -19.687 -39.174 -25.673 1.00 45.64 N +ATOM 2124 CA THR A 144 -18.244 -39.324 -25.525 1.00 43.89 C +ATOM 2125 C THR A 144 -17.791 -40.769 -25.620 1.00 46.93 C +ATOM 2126 O THR A 144 -16.624 -41.067 -25.337 1.00 56.20 O +ATOM 2127 CB THR A 144 -17.754 -38.712 -24.212 1.00 43.00 C +ATOM 2128 OG1 THR A 144 -18.148 -39.535 -23.108 1.00 49.07 O +ATOM 2129 CG2 THR A 144 -18.314 -37.306 -24.046 1.00 44.12 C +ATOM 2130 H THR A 144 -20.315 -39.525 -24.964 1.00 0.00 H +ATOM 2131 HA THR A 144 -17.771 -38.776 -26.340 1.00 0.00 H +ATOM 2132 HB THR A 144 -16.666 -38.655 -24.236 1.00 0.00 H +ATOM 2133 HG1 THR A 144 -17.394 -39.681 -22.532 1.00 0.00 H +ATOM 2134 HG21 THR A 144 -17.958 -36.881 -23.108 1.00 0.00 H +ATOM 2135 HG22 THR A 144 -17.982 -36.682 -24.876 1.00 0.00 H +ATOM 2136 HG23 THR A 144 -19.403 -37.347 -24.036 1.00 0.00 H +ATOM 2137 N VAL A 145 -18.686 -41.677 -25.983 1.00 48.53 N +ATOM 2138 CA VAL A 145 -18.267 -43.003 -26.414 1.00 45.13 C +ATOM 2139 C VAL A 145 -17.774 -42.887 -27.851 1.00 49.43 C +ATOM 2140 O VAL A 145 -18.406 -42.225 -28.685 1.00 48.41 O +ATOM 2141 CB VAL A 145 -19.433 -43.998 -26.278 1.00 46.93 C +ATOM 2142 CG1 VAL A 145 -19.106 -45.372 -26.888 1.00 40.04 C +ATOM 2143 CG2 VAL A 145 -19.860 -44.142 -24.797 1.00 43.13 C +ATOM 2144 H VAL A 145 -19.670 -41.452 -25.962 1.00 0.00 H +ATOM 2145 HA VAL A 145 -17.443 -43.336 -25.783 1.00 0.00 H +ATOM 2146 HB VAL A 145 -20.281 -43.588 -26.826 1.00 0.00 H +ATOM 2147 HG11 VAL A 145 -19.961 -46.037 -26.766 1.00 0.00 H +ATOM 2148 HG12 VAL A 145 -18.885 -45.256 -27.949 1.00 0.00 H +ATOM 2149 HG13 VAL A 145 -18.240 -45.798 -26.382 1.00 0.00 H +ATOM 2150 HG21 VAL A 145 -20.686 -44.850 -24.724 1.00 0.00 H +ATOM 2151 HG22 VAL A 145 -19.017 -44.505 -24.209 1.00 0.00 H +ATOM 2152 HG23 VAL A 145 -20.178 -43.172 -24.414 1.00 0.00 H +ATOM 2153 N ILE A 146 -16.616 -43.479 -28.137 1.00 41.51 N +ATOM 2154 CA ILE A 146 -16.089 -43.569 -29.497 1.00 50.31 C +ATOM 2155 C ILE A 146 -15.780 -45.034 -29.759 1.00 46.40 C +ATOM 2156 O ILE A 146 -15.017 -45.658 -29.006 1.00 45.29 O +ATOM 2157 CB ILE A 146 -14.823 -42.717 -29.709 1.00 49.89 C +ATOM 2158 CG1 ILE A 146 -14.952 -41.329 -29.091 1.00 48.58 C +ATOM 2159 CD1 ILE A 146 -13.639 -40.536 -29.180 1.00 44.21 C +ATOM 2160 CG2 ILE A 146 -14.501 -42.569 -31.189 1.00 38.32 C +ATOM 2161 H ILE A 146 -16.063 -43.890 -27.398 1.00 0.00 H +ATOM 2162 HA ILE A 146 -16.858 -43.240 -30.196 1.00 0.00 H +ATOM 2163 HB ILE A 146 -13.987 -43.226 -29.229 1.00 0.00 H +ATOM 2164 HG13 ILE A 146 -15.248 -41.423 -28.046 1.00 0.00 H +ATOM 2165 HG12 ILE A 146 -15.743 -40.778 -29.599 1.00 0.00 H +ATOM 2166 HD11 ILE A 146 -13.776 -39.554 -28.728 1.00 0.00 H +ATOM 2167 HD12 ILE A 146 -12.853 -41.073 -28.649 1.00 0.00 H +ATOM 2168 HD13 ILE A 146 -13.355 -40.418 -30.226 1.00 0.00 H +ATOM 2169 HG21 ILE A 146 -13.603 -41.963 -31.307 1.00 0.00 H +ATOM 2170 HG22 ILE A 146 -14.334 -43.554 -31.625 1.00 0.00 H +ATOM 2171 HG23 ILE A 146 -15.335 -42.084 -31.696 1.00 0.00 H +ATOM 2172 N THR A 147 -16.375 -45.589 -30.802 1.00 41.14 N +ATOM 2173 CA THR A 147 -16.078 -46.952 -31.219 1.00 45.57 C +ATOM 2174 C THR A 147 -15.202 -46.929 -32.464 1.00 38.98 C +ATOM 2175 O THR A 147 -15.385 -46.077 -33.338 1.00 38.42 O +ATOM 2176 CB THR A 147 -17.363 -47.719 -31.517 1.00 47.13 C +ATOM 2177 OG1 THR A 147 -17.992 -47.128 -32.667 1.00 44.93 O +ATOM 2178 CG2 THR A 147 -18.302 -47.638 -30.322 1.00 39.57 C +ATOM 2179 H THR A 147 -17.056 -45.065 -31.333 1.00 0.00 H +ATOM 2180 HA THR A 147 -15.541 -47.459 -30.417 1.00 0.00 H +ATOM 2181 HB THR A 147 -17.126 -48.762 -31.726 1.00 0.00 H +ATOM 2182 HG1 THR A 147 -17.322 -46.894 -33.314 1.00 0.00 H +ATOM 2183 HG21 THR A 147 -19.218 -48.187 -30.541 1.00 0.00 H +ATOM 2184 HG22 THR A 147 -17.817 -48.074 -29.448 1.00 0.00 H +ATOM 2185 HG23 THR A 147 -18.544 -46.595 -30.120 1.00 0.00 H +ATOM 2186 N LEU A 148 -14.261 -47.881 -32.535 1.00 47.25 N +ATOM 2187 CA LEU A 148 -13.453 -48.168 -33.724 1.00 47.84 C +ATOM 2188 C LEU A 148 -13.824 -49.552 -34.272 1.00 54.53 C +ATOM 2189 O LEU A 148 -13.929 -50.512 -33.503 1.00 50.13 O +ATOM 2190 CB LEU A 148 -11.965 -48.113 -33.370 1.00 43.94 C +ATOM 2191 CG LEU A 148 -11.546 -46.777 -32.726 1.00 47.48 C +ATOM 2192 CD1 LEU A 148 -10.063 -46.708 -32.508 1.00 38.17 C +ATOM 2193 CD2 LEU A 148 -11.990 -45.614 -33.604 1.00 46.29 C +ATOM 2194 H LEU A 148 -14.068 -48.461 -31.731 1.00 0.00 H +ATOM 2195 HA LEU A 148 -13.664 -47.417 -34.485 1.00 0.00 H +ATOM 2196 HB3 LEU A 148 -11.372 -48.283 -34.269 1.00 0.00 H +ATOM 2197 HB2 LEU A 148 -11.723 -48.933 -32.693 1.00 0.00 H +ATOM 2198 HG LEU A 148 -12.042 -46.689 -31.759 1.00 0.00 H +ATOM 2199 HD11 LEU A 148 -9.806 -45.752 -32.052 1.00 0.00 H +ATOM 2200 HD12 LEU A 148 -9.754 -47.519 -31.848 1.00 0.00 H +ATOM 2201 HD13 LEU A 148 -9.550 -46.803 -33.465 1.00 0.00 H +ATOM 2202 HD21 LEU A 148 -11.690 -44.674 -33.142 1.00 0.00 H +ATOM 2203 HD22 LEU A 148 -11.524 -45.701 -34.586 1.00 0.00 H +ATOM 2204 HD23 LEU A 148 -13.074 -45.634 -33.714 1.00 0.00 H +ATOM 2205 N ALA A 149 -14.019 -49.658 -35.594 1.00 40.19 N +ATOM 2206 CA ALA A 149 -14.534 -50.879 -36.207 1.00 42.23 C +ATOM 2207 C ALA A 149 -13.948 -51.062 -37.596 1.00 53.12 C +ATOM 2208 O ALA A 149 -13.806 -50.094 -38.350 1.00 58.63 O +ATOM 2209 CB ALA A 149 -16.079 -50.868 -36.322 1.00 39.08 C +ATOM 2210 H ALA A 149 -13.808 -48.878 -36.200 1.00 0.00 H +ATOM 2211 HA ALA A 149 -14.238 -51.728 -35.591 1.00 0.00 H +ATOM 2212 HB1 ALA A 149 -16.416 -51.796 -36.784 1.00 0.00 H +ATOM 2213 HB2 ALA A 149 -16.517 -50.777 -35.328 1.00 0.00 H +ATOM 2214 HB3 ALA A 149 -16.392 -50.023 -36.935 1.00 0.00 H +ATOM 2215 N ASP A 150 -13.640 -52.310 -37.938 1.00 58.70 N +ATOM 2216 CA ASP A 150 -13.266 -52.666 -39.301 1.00 52.59 C +ATOM 2217 C ASP A 150 -14.510 -53.020 -40.111 1.00 57.50 C +ATOM 2218 O ASP A 150 -15.488 -53.555 -39.575 1.00 50.87 O +ATOM 2219 CB ASP A 150 -12.293 -53.845 -39.302 1.00 49.36 C +ATOM 2220 CG ASP A 150 -12.758 -55.008 -38.412 1.00 54.50 C +ATOM 2221 OD1 ASP A 150 -13.720 -54.848 -37.636 1.00 47.58 O +ATOM 2222 OD2 ASP A 150 -12.143 -56.093 -38.482 1.00 55.84 O1- +ATOM 2223 H ASP A 150 -13.661 -53.044 -37.244 1.00 0.00 H +ATOM 2224 HA ASP A 150 -12.778 -51.809 -39.765 1.00 0.00 H +ATOM 2225 HB3 ASP A 150 -11.312 -53.505 -38.970 1.00 0.00 H +ATOM 2226 HB2 ASP A 150 -12.158 -54.202 -40.323 1.00 0.00 H +ATOM 2227 N TRP A 151 -14.476 -52.710 -41.412 1.00 50.74 N +ATOM 2228 CA TRP A 151 -15.634 -52.969 -42.258 1.00 50.25 C +ATOM 2229 C TRP A 151 -15.213 -53.596 -43.579 1.00 60.06 C +ATOM 2230 O TRP A 151 -14.299 -53.099 -44.249 1.00 60.15 O +ATOM 2231 CB TRP A 151 -16.456 -51.694 -42.501 1.00 52.58 C +ATOM 2232 CG TRP A 151 -17.823 -52.037 -42.989 1.00 59.42 C +ATOM 2233 CD1 TRP A 151 -18.363 -51.737 -44.204 1.00 60.19 C +ATOM 2234 NE1 TRP A 151 -19.633 -52.260 -44.303 1.00 59.59 N +ATOM 2235 CE2 TRP A 151 -19.929 -52.925 -43.142 1.00 57.52 C +ATOM 2236 CD2 TRP A 151 -18.808 -52.813 -42.292 1.00 58.50 C +ATOM 2237 CE3 TRP A 151 -18.859 -53.406 -41.024 1.00 57.71 C +ATOM 2238 CZ3 TRP A 151 -20.014 -54.087 -40.653 1.00 53.61 C +ATOM 2239 CH2 TRP A 151 -21.114 -54.181 -41.525 1.00 52.33 C +ATOM 2240 CZ2 TRP A 151 -21.090 -53.611 -42.768 1.00 58.59 C +ATOM 2241 H TRP A 151 -13.646 -52.295 -41.811 1.00 0.00 H +ATOM 2242 HA TRP A 151 -16.273 -53.683 -41.739 1.00 0.00 H +ATOM 2243 HB3 TRP A 151 -15.952 -51.073 -43.241 1.00 0.00 H +ATOM 2244 HB2 TRP A 151 -16.533 -51.129 -41.572 1.00 0.00 H +ATOM 2245 HD1 TRP A 151 -17.794 -51.164 -44.921 1.00 0.00 H +ATOM 2246 HE1 TRP A 151 -20.174 -52.117 -45.144 1.00 0.00 H +ATOM 2247 HE3 TRP A 151 -18.013 -53.329 -40.357 1.00 0.00 H +ATOM 2248 HZ3 TRP A 151 -20.077 -54.555 -39.681 1.00 0.00 H +ATOM 2249 HH2 TRP A 151 -22.003 -54.712 -41.218 1.00 0.00 H +ATOM 2250 HZ2 TRP A 151 -21.923 -53.675 -43.452 1.00 0.00 H +ATOM 2251 N TYR A 152 -15.904 -54.684 -43.938 1.00 58.04 N +ATOM 2252 CA TYR A 152 -15.652 -55.499 -45.121 1.00 52.79 C +ATOM 2253 C TYR A 152 -16.889 -55.489 -46.006 1.00 55.51 C +ATOM 2254 O TYR A 152 -18.015 -55.560 -45.512 1.00 52.02 O +ATOM 2255 CB TYR A 152 -15.313 -56.946 -44.729 1.00 54.75 C +ATOM 2256 CG TYR A 152 -14.253 -57.001 -43.666 1.00 56.69 C +ATOM 2257 CD1 TYR A 152 -14.581 -56.848 -42.326 1.00 56.02 C +ATOM 2258 CE1 TYR A 152 -13.603 -56.862 -41.349 1.00 54.35 C +ATOM 2259 CZ TYR A 152 -12.280 -57.024 -41.713 1.00 43.42 C +ATOM 2260 OH TYR A 152 -11.328 -57.050 -40.737 1.00 48.25 O +ATOM 2261 CE2 TYR A 152 -11.926 -57.176 -43.031 1.00 52.47 C +ATOM 2262 CD2 TYR A 152 -12.914 -57.157 -44.003 1.00 57.76 C +ATOM 2263 H TYR A 152 -16.675 -55.003 -43.369 1.00 0.00 H +ATOM 2264 HA TYR A 152 -14.815 -55.074 -45.674 1.00 0.00 H +ATOM 2265 HB3 TYR A 152 -14.972 -57.490 -45.610 1.00 0.00 H +ATOM 2266 HB2 TYR A 152 -16.213 -57.445 -44.370 1.00 0.00 H +ATOM 2267 HD1 TYR A 152 -15.612 -56.716 -42.034 1.00 0.00 H +ATOM 2268 HE1 TYR A 152 -13.876 -56.747 -40.310 1.00 0.00 H +ATOM 2269 HH TYR A 152 -11.689 -56.683 -39.927 1.00 0.00 H +ATOM 2270 HE2 TYR A 152 -10.888 -57.308 -43.300 1.00 0.00 H +ATOM 2271 HD2 TYR A 152 -12.627 -57.266 -45.038 1.00 0.00 H +ATOM 2272 N HIS A 153 -16.684 -55.384 -47.316 1.00 55.37 N +ATOM 2273 CA HIS A 153 -17.833 -55.275 -48.199 1.00 54.26 C +ATOM 2274 C HIS A 153 -18.475 -56.629 -48.439 1.00 58.73 C +ATOM 2275 O HIS A 153 -19.682 -56.704 -48.690 1.00 54.75 O +ATOM 2276 CB HIS A 153 -17.428 -54.625 -49.523 1.00 54.63 C +ATOM 2277 CG HIS A 153 -17.247 -53.142 -49.430 1.00 63.93 C +ATOM 2278 ND1 HIS A 153 -16.823 -52.376 -50.493 1.00 60.86 N1+ +ATOM 2279 CE1 HIS A 153 -16.758 -51.110 -50.124 1.00 50.54 C +ATOM 2280 NE2 HIS A 153 -17.133 -51.025 -48.861 1.00 59.69 N +ATOM 2281 CD2 HIS A 153 -17.445 -52.282 -48.403 1.00 63.87 C +ATOM 2282 H HIS A 153 -15.742 -55.381 -47.681 1.00 0.00 H +ATOM 2283 HA HIS A 153 -18.570 -54.632 -47.718 1.00 0.00 H +ATOM 2284 HB3 HIS A 153 -18.178 -54.851 -50.281 1.00 0.00 H +ATOM 2285 HB2 HIS A 153 -16.505 -55.080 -49.882 1.00 0.00 H +ATOM 2286 HD1 HIS A 153 -16.618 -52.813 -51.380 1.00 0.00 H +ATOM 2287 HE1 HIS A 153 -16.436 -50.358 -50.829 1.00 0.00 H +ATOM 2288 HD2 HIS A 153 -17.789 -52.651 -47.448 1.00 0.00 H +ATOM 2289 HE2 HIS A 153 -17.152 -50.127 -48.399 1.00 0.00 H +ATOM 2290 N LEU A 154 -17.702 -57.702 -48.353 1.00 56.83 N +ATOM 2291 CA LEU A 154 -18.240 -59.049 -48.451 1.00 63.72 C +ATOM 2292 C LEU A 154 -18.198 -59.700 -47.079 1.00 64.73 C +ATOM 2293 O LEU A 154 -17.242 -59.514 -46.321 1.00 75.53 O +ATOM 2294 CB LEU A 154 -17.480 -59.884 -49.486 1.00 69.52 C +ATOM 2295 CG LEU A 154 -15.950 -59.854 -49.507 1.00 72.82 C +ATOM 2296 CD1 LEU A 154 -15.337 -60.928 -48.610 1.00 74.21 C +ATOM 2297 CD2 LEU A 154 -15.466 -59.992 -50.937 1.00 59.99 C +ATOM 2298 H LEU A 154 -16.707 -57.598 -48.215 1.00 0.00 H +ATOM 2299 HA LEU A 154 -19.281 -58.980 -48.765 1.00 0.00 H +ATOM 2300 HB3 LEU A 154 -17.853 -59.641 -50.481 1.00 0.00 H +ATOM 2301 HB2 LEU A 154 -17.813 -60.920 -49.420 1.00 0.00 H +ATOM 2302 HG LEU A 154 -15.628 -58.881 -49.135 1.00 0.00 H +ATOM 2303 HD11 LEU A 154 -14.250 -60.866 -48.659 1.00 0.00 H +ATOM 2304 HD12 LEU A 154 -15.663 -60.773 -47.582 1.00 0.00 H +ATOM 2305 HD13 LEU A 154 -15.660 -61.913 -48.949 1.00 0.00 H +ATOM 2306 HD21 LEU A 154 -14.376 -59.971 -50.956 1.00 0.00 H +ATOM 2307 HD22 LEU A 154 -15.818 -60.937 -51.351 1.00 0.00 H +ATOM 2308 HD23 LEU A 154 -15.855 -59.167 -51.534 1.00 0.00 H +ATOM 2309 N ALA A 155 -19.250 -60.447 -46.766 1.00 62.08 N +ATOM 2310 CA ALA A 155 -19.470 -61.000 -45.436 1.00 61.83 C +ATOM 2311 C ALA A 155 -18.270 -61.760 -44.883 1.00 70.20 C +ATOM 2312 O ALA A 155 -17.348 -62.125 -45.622 1.00 72.32 O +ATOM 2313 CB ALA A 155 -20.687 -61.927 -45.453 1.00 58.23 C +ATOM 2314 H ALA A 155 -19.947 -60.657 -47.466 1.00 0.00 H +ATOM 2315 HA ALA A 155 -19.686 -60.173 -44.759 1.00 0.00 H +ATOM 2316 HB1 ALA A 155 -20.846 -62.337 -44.456 1.00 0.00 H +ATOM 2317 HB2 ALA A 155 -21.569 -61.364 -45.759 1.00 0.00 H +ATOM 2318 HB3 ALA A 155 -20.514 -62.741 -46.157 1.00 0.00 H +ATOM 2319 N ALA A 156 -18.296 -62.009 -43.570 1.00 79.26 N +ATOM 2320 CA ALA A 156 -17.244 -62.790 -42.930 1.00 80.94 C +ATOM 2321 C ALA A 156 -17.093 -64.160 -43.581 1.00 83.45 C +ATOM 2322 O ALA A 156 -15.971 -64.608 -43.847 1.00 84.47 O +ATOM 2323 CB ALA A 156 -17.542 -62.927 -41.438 1.00 71.94 C +ATOM 2324 H ALA A 156 -19.053 -61.654 -43.004 1.00 0.00 H +ATOM 2325 HA ALA A 156 -16.303 -62.252 -43.043 1.00 0.00 H +ATOM 2326 HB1 ALA A 156 -16.754 -63.511 -40.962 1.00 0.00 H +ATOM 2327 HB2 ALA A 156 -17.585 -61.937 -40.983 1.00 0.00 H +ATOM 2328 HB3 ALA A 156 -18.499 -63.430 -41.303 1.00 0.00 H +ATOM 2329 N LYS A 157 -18.210 -64.837 -43.854 1.00 85.42 N +ATOM 2330 CA LYS A 157 -18.195 -66.132 -44.523 1.00 87.53 C +ATOM 2331 C LYS A 157 -18.281 -66.010 -46.046 1.00 99.78 C +ATOM 2332 O LYS A 157 -18.700 -66.964 -46.716 1.00 0.81 O +ATOM 2333 CB LYS A 157 -19.325 -67.016 -43.982 1.00 77.04 C +ATOM 2334 CG LYS A 157 -19.157 -67.377 -42.507 1.00 66.77 C +ATOM 2335 CD LYS A 157 -20.044 -68.549 -42.093 1.00 60.30 C +ATOM 2336 CE LYS A 157 -19.804 -68.955 -40.635 1.00 65.50 C +ATOM 2337 NZ LYS A 157 -18.463 -69.588 -40.371 1.00 73.18 N1+ +ATOM 2338 H LYS A 157 -19.108 -64.455 -43.595 1.00 0.00 H +ATOM 2339 HA LYS A 157 -17.250 -66.618 -44.282 1.00 0.00 H +ATOM 2340 HB3 LYS A 157 -19.385 -67.930 -44.574 1.00 0.00 H +ATOM 2341 HB2 LYS A 157 -20.280 -66.510 -44.124 1.00 0.00 H +ATOM 2342 HG3 LYS A 157 -19.393 -66.509 -41.892 1.00 0.00 H +ATOM 2343 HG2 LYS A 157 -18.114 -67.625 -42.311 1.00 0.00 H +ATOM 2344 HD3 LYS A 157 -19.847 -69.401 -42.744 1.00 0.00 H +ATOM 2345 HD2 LYS A 157 -21.091 -68.276 -42.226 1.00 0.00 H +ATOM 2346 HE3 LYS A 157 -20.593 -69.635 -40.315 1.00 0.00 H +ATOM 2347 HE2 LYS A 157 -19.924 -68.082 -39.993 1.00 0.00 H +ATOM 2348 HZ1 LYS A 157 -18.185 -69.404 -39.418 1.00 0.00 H +ATOM 2349 HZ2 LYS A 157 -18.527 -70.586 -40.516 1.00 0.00 H +ATOM 2350 HZ3 LYS A 157 -17.776 -69.199 -41.002 1.00 0.00 H +ATOM 2351 N ALA A 158 -17.874 -64.862 -46.600 1.00 8.83 N +ATOM 2352 CA ALA A 158 -17.919 -64.604 -48.034 1.00 8.17 C +ATOM 2353 C ALA A 158 -16.546 -64.505 -48.680 1.00 7.63 C +ATOM 2354 O ALA A 158 -16.442 -64.680 -49.898 1.00 5.87 O +ATOM 2355 CB ALA A 158 -18.688 -63.306 -48.316 1.00 4.01 C +ATOM 2356 H ALA A 158 -17.513 -64.120 -46.017 1.00 0.00 H +ATOM 2357 HA ALA A 158 -18.457 -65.425 -48.508 1.00 0.00 H +ATOM 2358 HB1 ALA A 158 -18.714 -63.125 -49.391 1.00 0.00 H +ATOM 2359 HB2 ALA A 158 -19.706 -63.397 -47.938 1.00 0.00 H +ATOM 2360 HB3 ALA A 158 -18.190 -62.473 -47.820 1.00 0.00 H +ATOM 2361 N GLY A 159 -15.504 -64.212 -47.905 1.00 9.97 N +ATOM 2362 CA GLY A 159 -14.150 -64.211 -48.399 1.00 9.88 C +ATOM 2363 C GLY A 159 -13.205 -64.822 -47.387 1.00 12.93 C +ATOM 2364 O GLY A 159 -13.623 -65.530 -46.464 1.00 19.81 O +ATOM 2365 H GLY A 159 -15.647 -63.979 -46.933 1.00 0.00 H +ATOM 2366 HA3 GLY A 159 -13.842 -63.187 -48.611 1.00 0.00 H +ATOM 2367 HA2 GLY A 159 -14.102 -64.778 -49.329 1.00 0.00 H +ATOM 2368 N PRO A 160 -11.898 -64.555 -47.538 1.00 4.76 N +ATOM 2369 CA PRO A 160 -10.892 -65.080 -46.603 1.00 0.98 C +ATOM 2370 C PRO A 160 -11.056 -64.458 -45.204 1.00 0.00 C +ATOM 2371 O PRO A 160 -10.535 -63.148 -45.207 1.00 0.00 O +ATOM 2372 CB PRO A 160 -9.560 -64.660 -47.244 1.00 93.21 C +ATOM 2373 CG PRO A 160 -9.903 -63.502 -48.126 1.00 87.56 C +ATOM 2374 CD PRO A 160 -11.295 -63.750 -48.617 1.00 93.11 C +ATOM 2375 HA PRO A 160 -10.957 -66.167 -46.560 1.00 0.00 H +ATOM 2376 HB3 PRO A 160 -9.179 -65.479 -47.854 1.00 0.00 H +ATOM 2377 HB2 PRO A 160 -8.872 -64.330 -46.465 1.00 0.00 H +ATOM 2378 HG3 PRO A 160 -9.219 -63.478 -48.974 1.00 0.00 H +ATOM 2379 HG2 PRO A 160 -9.884 -62.583 -47.541 1.00 0.00 H +ATOM 2380 HD2 PRO A 160 -11.824 -62.800 -48.696 1.00 0.00 H +ATOM 2381 HD3 PRO A 160 -11.254 -64.344 -49.530 1.00 0.00 H +ATOM 2382 N GLY A 161 -9.457 -66.442 -46.249 1.00 0.00 N +ATOM 2383 CA GLY A 161 -9.298 -66.743 -44.818 1.00 3.22 C +ATOM 2384 C GLY A 161 -8.881 -65.508 -44.045 1.00 6.17 C +ATOM 2385 O GLY A 161 -9.068 -65.461 -42.823 1.00 8.65 O +ATOM 2386 HA3 GLY A 161 -8.562 -67.532 -44.664 1.00 0.00 H +ATOM 2387 HA2 GLY A 161 -10.222 -67.138 -44.396 1.00 0.00 H +ATOM 2388 H GLY A 161 -9.735 -67.279 -46.741 1.00 0.00 H +ATOM 2389 N ALA A 162 -8.321 -64.510 -44.724 1.00 4.20 N +ATOM 2390 CA ALA A 162 -7.898 -63.267 -44.073 1.00 94.82 C +ATOM 2391 C ALA A 162 -8.067 -62.112 -45.051 1.00 99.38 C +ATOM 2392 O ALA A 162 -7.174 -61.828 -45.862 1.00 6.74 O +ATOM 2393 CB ALA A 162 -6.456 -63.354 -43.579 1.00 82.16 C +ATOM 2394 H ALA A 162 -8.176 -64.595 -45.720 1.00 0.00 H +ATOM 2395 HA ALA A 162 -8.547 -63.089 -43.215 1.00 0.00 H +ATOM 2396 HB1 ALA A 162 -6.177 -62.414 -43.102 1.00 0.00 H +ATOM 2397 HB2 ALA A 162 -6.367 -64.167 -42.858 1.00 0.00 H +ATOM 2398 HB3 ALA A 162 -5.793 -63.544 -44.423 1.00 0.00 H +ATOM 2399 N PRO A 163 -8.242 -61.757 -45.640 1.00 87.00 N +ATOM 2400 CA PRO A 163 -8.942 -60.574 -45.134 1.00 85.24 C +ATOM 2401 C PRO A 163 -8.198 -59.268 -45.411 1.00 86.64 C +ATOM 2402 O PRO A 163 -6.977 -59.267 -45.555 1.00 97.08 O +ATOM 2403 CB PRO A 163 -9.046 -60.819 -43.625 1.00 83.10 C +ATOM 2404 CG PRO A 163 -8.767 -62.273 -43.440 1.00 86.87 C +ATOM 2405 CD PRO A 163 -7.877 -62.694 -44.563 1.00 86.73 C +ATOM 2406 HA PRO A 163 -9.941 -60.526 -45.567 1.00 0.00 H +ATOM 2407 HB3 PRO A 163 -10.061 -60.600 -43.292 1.00 0.00 H +ATOM 2408 HB2 PRO A 163 -8.282 -60.236 -43.110 1.00 0.00 H +ATOM 2409 HG3 PRO A 163 -9.702 -62.831 -43.490 1.00 0.00 H +ATOM 2410 HG2 PRO A 163 -8.251 -62.425 -42.492 1.00 0.00 H +ATOM 2411 HD2 PRO A 163 -6.838 -62.528 -44.279 1.00 0.00 H +ATOM 2412 HD3 PRO A 163 -8.136 -63.708 -44.866 1.00 0.00 H +ATOM 2413 N THR A 164 -8.958 -58.178 -45.516 1.00 70.25 N +ATOM 2414 CA THR A 164 -8.451 -56.810 -45.533 1.00 65.07 C +ATOM 2415 C THR A 164 -9.651 -55.879 -45.474 1.00 57.37 C +ATOM 2416 O THR A 164 -10.534 -55.960 -46.330 1.00 59.99 O +ATOM 2417 CB THR A 164 -7.620 -56.479 -46.784 1.00 71.43 C +ATOM 2418 OG1 THR A 164 -6.732 -57.550 -47.100 1.00 68.79 O +ATOM 2419 CG2 THR A 164 -6.803 -55.221 -46.553 1.00 70.95 C +ATOM 2420 H THR A 164 -9.961 -58.267 -45.591 1.00 0.00 H +ATOM 2421 HA THR A 164 -7.836 -56.650 -44.648 1.00 0.00 H +ATOM 2422 HB THR A 164 -8.294 -56.316 -47.625 1.00 0.00 H +ATOM 2423 HG1 THR A 164 -7.239 -58.348 -47.268 1.00 0.00 H +ATOM 2424 HG21 THR A 164 -6.219 -54.997 -47.446 1.00 0.00 H +ATOM 2425 HG22 THR A 164 -7.472 -54.387 -46.338 1.00 0.00 H +ATOM 2426 HG23 THR A 164 -6.131 -55.374 -45.709 1.00 0.00 H +ATOM 2427 N ALA A 165 -9.704 -55.012 -44.470 1.00 54.36 N +ATOM 2428 CA ALA A 165 -10.820 -54.086 -44.331 1.00 53.42 C +ATOM 2429 C ALA A 165 -10.963 -53.202 -45.569 1.00 53.36 C +ATOM 2430 O ALA A 165 -9.975 -52.781 -46.173 1.00 54.37 O +ATOM 2431 CB ALA A 165 -10.621 -53.220 -43.083 1.00 45.61 C +ATOM 2432 H ALA A 165 -8.962 -54.986 -43.785 1.00 0.00 H +ATOM 2433 HA ALA A 165 -11.736 -54.663 -44.210 1.00 0.00 H +ATOM 2434 HB1 ALA A 165 -11.458 -52.529 -42.983 1.00 0.00 H +ATOM 2435 HB2 ALA A 165 -10.570 -53.859 -42.201 1.00 0.00 H +ATOM 2436 HB3 ALA A 165 -9.693 -52.655 -43.176 1.00 0.00 H +ATOM 2437 N ASP A 166 -12.211 -52.937 -45.957 1.00 46.50 N +ATOM 2438 CA ASP A 166 -12.470 -51.913 -46.957 1.00 48.61 C +ATOM 2439 C ASP A 166 -12.474 -50.508 -46.352 1.00 57.98 C +ATOM 2440 O ASP A 166 -12.144 -49.544 -47.048 1.00 69.51 O +ATOM 2441 CB ASP A 166 -13.794 -52.196 -47.669 1.00 47.80 C +ATOM 2442 CG ASP A 166 -13.726 -53.439 -48.520 1.00 61.35 C +ATOM 2443 OD1 ASP A 166 -12.888 -53.450 -49.449 1.00 70.82 O +ATOM 2444 OD2 ASP A 166 -14.500 -54.394 -48.275 1.00 58.52 O1- +ATOM 2445 H ASP A 166 -12.984 -53.449 -45.556 1.00 0.00 H +ATOM 2446 HA ASP A 166 -11.673 -51.958 -47.699 1.00 0.00 H +ATOM 2447 HB3 ASP A 166 -14.059 -51.343 -48.294 1.00 0.00 H +ATOM 2448 HB2 ASP A 166 -14.587 -52.306 -46.929 1.00 0.00 H +ATOM 2449 N ALA A 167 -12.824 -50.367 -45.072 1.00 51.62 N +ATOM 2450 CA ALA A 167 -12.854 -49.055 -44.437 1.00 49.57 C +ATOM 2451 C ALA A 167 -12.723 -49.218 -42.932 1.00 54.17 C +ATOM 2452 O ALA A 167 -12.950 -50.300 -42.384 1.00 49.38 O +ATOM 2453 CB ALA A 167 -14.146 -48.292 -44.762 1.00 45.83 C +ATOM 2454 H ALA A 167 -13.074 -51.178 -44.525 1.00 0.00 H +ATOM 2455 HA ALA A 167 -12.006 -48.474 -44.799 1.00 0.00 H +ATOM 2456 HB1 ALA A 167 -14.128 -47.320 -44.270 1.00 0.00 H +ATOM 2457 HB2 ALA A 167 -14.224 -48.151 -45.840 1.00 0.00 H +ATOM 2458 HB3 ALA A 167 -15.004 -48.862 -44.407 1.00 0.00 H +ATOM 2459 N THR A 168 -12.352 -48.116 -42.279 1.00 50.92 N +ATOM 2460 CA THR A 168 -12.407 -47.973 -40.833 1.00 49.57 C +ATOM 2461 C THR A 168 -13.638 -47.168 -40.459 1.00 50.94 C +ATOM 2462 O THR A 168 -13.908 -46.129 -41.063 1.00 51.29 O +ATOM 2463 CB THR A 168 -11.182 -47.254 -40.283 1.00 55.90 C +ATOM 2464 OG1 THR A 168 -9.994 -47.931 -40.700 1.00 57.38 O +ATOM 2465 CG2 THR A 168 -11.262 -47.196 -38.754 1.00 43.56 C +ATOM 2466 H THR A 168 -12.008 -47.317 -42.792 1.00 0.00 H +ATOM 2467 HA THR A 168 -12.475 -48.961 -40.379 1.00 0.00 H +ATOM 2468 HB THR A 168 -11.164 -46.237 -40.674 1.00 0.00 H +ATOM 2469 HG1 THR A 168 -9.290 -47.292 -40.832 1.00 0.00 H +ATOM 2470 HG21 THR A 168 -10.384 -46.681 -38.363 1.00 0.00 H +ATOM 2471 HG22 THR A 168 -12.161 -46.657 -38.457 1.00 0.00 H +ATOM 2472 HG23 THR A 168 -11.297 -48.209 -38.353 1.00 0.00 H +ATOM 2473 N LEU A 169 -14.363 -47.632 -39.451 1.00 44.99 N +ATOM 2474 CA LEU A 169 -15.570 -46.963 -38.992 1.00 47.07 C +ATOM 2475 C LEU A 169 -15.298 -46.373 -37.622 1.00 43.46 C +ATOM 2476 O LEU A 169 -14.935 -47.096 -36.694 1.00 56.85 O +ATOM 2477 CB LEU A 169 -16.762 -47.922 -38.956 1.00 39.19 C +ATOM 2478 CG LEU A 169 -16.957 -48.652 -40.289 1.00 46.50 C +ATOM 2479 CD1 LEU A 169 -18.235 -49.520 -40.324 1.00 39.47 C +ATOM 2480 CD2 LEU A 169 -16.950 -47.632 -41.443 1.00 39.63 C +ATOM 2481 H LEU A 169 -14.083 -48.477 -38.974 1.00 0.00 H +ATOM 2482 HA LEU A 169 -15.799 -46.150 -39.681 1.00 0.00 H +ATOM 2483 HB3 LEU A 169 -17.667 -47.366 -38.711 1.00 0.00 H +ATOM 2484 HB2 LEU A 169 -16.615 -48.653 -38.161 1.00 0.00 H +ATOM 2485 HG LEU A 169 -16.104 -49.315 -40.430 1.00 0.00 H +ATOM 2486 HD11 LEU A 169 -18.315 -50.010 -41.294 1.00 0.00 H +ATOM 2487 HD12 LEU A 169 -18.184 -50.275 -39.539 1.00 0.00 H +ATOM 2488 HD13 LEU A 169 -19.109 -48.888 -40.163 1.00 0.00 H +ATOM 2489 HD21 LEU A 169 -17.089 -48.153 -42.390 1.00 0.00 H +ATOM 2490 HD22 LEU A 169 -17.760 -46.916 -41.301 1.00 0.00 H +ATOM 2491 HD23 LEU A 169 -15.997 -47.104 -41.456 1.00 0.00 H +ATOM 2492 N ILE A 170 -15.424 -45.059 -37.514 1.00 50.34 N +ATOM 2493 CA ILE A 170 -15.436 -44.385 -36.228 1.00 52.33 C +ATOM 2494 C ILE A 170 -16.892 -44.062 -35.962 1.00 47.81 C +ATOM 2495 O ILE A 170 -17.534 -43.394 -36.778 1.00 57.36 O +ATOM 2496 CB ILE A 170 -14.563 -43.115 -36.220 1.00 41.90 C +ATOM 2497 CG1 ILE A 170 -13.070 -43.464 -36.257 1.00 46.63 C +ATOM 2498 CD1 ILE A 170 -12.471 -43.718 -37.612 1.00 44.03 C +ATOM 2499 CG2 ILE A 170 -14.823 -42.295 -34.922 1.00 38.73 C +ATOM 2500 H ILE A 170 -15.516 -44.491 -38.344 1.00 0.00 H +ATOM 2501 HA ILE A 170 -15.076 -45.071 -35.461 1.00 0.00 H +ATOM 2502 HB ILE A 170 -14.811 -42.503 -37.087 1.00 0.00 H +ATOM 2503 HG13 ILE A 170 -12.887 -44.327 -35.616 1.00 0.00 H +ATOM 2504 HG12 ILE A 170 -12.505 -42.677 -35.757 1.00 0.00 H +ATOM 2505 HD11 ILE A 170 -11.412 -43.954 -37.503 1.00 0.00 H +ATOM 2506 HD12 ILE A 170 -12.983 -44.556 -38.085 1.00 0.00 H +ATOM 2507 HD13 ILE A 170 -12.583 -42.828 -38.232 1.00 0.00 H +ATOM 2508 HG21 ILE A 170 -14.201 -41.400 -34.926 1.00 0.00 H +ATOM 2509 HG22 ILE A 170 -15.873 -42.007 -34.878 1.00 0.00 H +ATOM 2510 HG23 ILE A 170 -14.577 -42.903 -34.052 1.00 0.00 H +ATOM 2511 N ASN A 171 -17.426 -44.564 -34.852 1.00 51.28 N +ATOM 2512 CA ASN A 171 -18.845 -44.413 -34.542 1.00 51.84 C +ATOM 2513 C ASN A 171 -19.705 -44.818 -35.741 1.00 50.86 C +ATOM 2514 O ASN A 171 -20.626 -44.106 -36.152 1.00 43.79 O +ATOM 2515 CB ASN A 171 -19.155 -42.973 -34.107 1.00 38.78 C +ATOM 2516 CG ASN A 171 -18.576 -42.631 -32.728 1.00 38.62 C +ATOM 2517 OD1 ASN A 171 -18.083 -43.623 -32.015 1.00 61.46 O +ATOM 2518 ND2 ASN A 171 -18.591 -41.458 -32.323 1.00 48.31 N +ATOM 2519 H ASN A 171 -16.846 -45.066 -34.195 1.00 0.00 H +ATOM 2520 HA ASN A 171 -19.084 -45.078 -33.712 1.00 0.00 H +ATOM 2521 HB3 ASN A 171 -20.235 -42.823 -34.094 1.00 0.00 H +ATOM 2522 HB2 ASN A 171 -18.760 -42.278 -34.848 1.00 0.00 H +ATOM 2523 HD22 ASN A 171 -18.210 -41.232 -31.415 1.00 0.00 H +ATOM 2524 HD21 ASN A 171 -18.984 -40.729 -32.901 1.00 0.00 H +ATOM 2525 N GLY A 172 -19.346 -45.941 -36.359 1.00 48.75 N +ATOM 2526 CA GLY A 172 -20.115 -46.470 -37.464 1.00 45.63 C +ATOM 2527 C GLY A 172 -20.019 -45.735 -38.791 1.00 48.68 C +ATOM 2528 O GLY A 172 -20.771 -46.083 -39.709 1.00 50.22 O +ATOM 2529 H GLY A 172 -18.522 -46.442 -36.058 1.00 0.00 H +ATOM 2530 HA3 GLY A 172 -21.162 -46.542 -37.170 1.00 0.00 H +ATOM 2531 HA2 GLY A 172 -19.852 -47.517 -37.615 1.00 0.00 H +ATOM 2532 N LEU A 173 -19.119 -44.749 -38.949 1.00 41.20 N +ATOM 2533 CA LEU A 173 -19.003 -43.996 -40.204 1.00 46.26 C +ATOM 2534 C LEU A 173 -17.547 -43.920 -40.658 1.00 42.35 C +ATOM 2535 O LEU A 173 -16.632 -43.900 -39.837 1.00 51.16 O +ATOM 2536 CB LEU A 173 -19.586 -42.569 -40.051 1.00 40.48 C +ATOM 2537 CG LEU A 173 -21.065 -42.531 -39.651 1.00 48.03 C +ATOM 2538 CD1 LEU A 173 -21.560 -41.103 -39.386 1.00 39.74 C +ATOM 2539 CD2 LEU A 173 -21.918 -43.195 -40.757 1.00 39.86 C +ATOM 2540 H LEU A 173 -18.497 -44.507 -38.191 1.00 0.00 H +ATOM 2541 HA LEU A 173 -19.574 -44.519 -40.971 1.00 0.00 H +ATOM 2542 HB3 LEU A 173 -19.450 -42.021 -40.984 1.00 0.00 H +ATOM 2543 HB2 LEU A 173 -18.999 -42.016 -39.318 1.00 0.00 H +ATOM 2544 HG LEU A 173 -21.185 -43.109 -38.735 1.00 0.00 H +ATOM 2545 HD11 LEU A 173 -22.613 -41.129 -39.106 1.00 0.00 H +ATOM 2546 HD12 LEU A 173 -20.980 -40.661 -38.576 1.00 0.00 H +ATOM 2547 HD13 LEU A 173 -21.439 -40.503 -40.288 1.00 0.00 H +ATOM 2548 HD21 LEU A 173 -22.970 -43.167 -40.471 1.00 0.00 H +ATOM 2549 HD22 LEU A 173 -21.782 -42.655 -41.694 1.00 0.00 H +ATOM 2550 HD23 LEU A 173 -21.604 -44.231 -40.886 1.00 0.00 H +ATOM 2551 N GLY A 174 -17.342 -43.859 -41.968 1.00 47.64 N +ATOM 2552 CA GLY A 174 -16.000 -43.850 -42.531 1.00 45.68 C +ATOM 2553 C GLY A 174 -16.054 -43.963 -44.046 1.00 46.00 C +ATOM 2554 O GLY A 174 -17.130 -44.023 -44.644 1.00 57.92 O +ATOM 2555 H GLY A 174 -18.128 -43.817 -42.601 1.00 0.00 H +ATOM 2556 HA3 GLY A 174 -15.430 -44.686 -42.125 1.00 0.00 H +ATOM 2557 HA2 GLY A 174 -15.496 -42.924 -42.254 1.00 0.00 H +ATOM 2558 N ARG A 175 -14.863 -43.992 -44.663 1.00 52.49 N +ATOM 2559 CA ARG A 175 -14.731 -44.033 -46.119 1.00 44.72 C +ATOM 2560 C ARG A 175 -13.796 -45.140 -46.576 1.00 46.15 C +ATOM 2561 O ARG A 175 -12.732 -45.351 -45.986 1.00 51.30 O +ATOM 2562 CB ARG A 175 -14.186 -42.726 -46.685 1.00 46.37 C +ATOM 2563 CG ARG A 175 -15.158 -41.587 -46.684 1.00 43.09 C +ATOM 2564 CD ARG A 175 -14.424 -40.283 -46.512 1.00 43.78 C +ATOM 2565 NE ARG A 175 -15.362 -39.166 -46.421 1.00 46.50 N +ATOM 2566 CZ ARG A 175 -15.022 -37.894 -46.574 1.00 52.61 C +ATOM 2567 NH1 ARG A 175 -15.948 -36.957 -46.451 1.00 59.82 N +ATOM 2568 NH2 ARG A 175 -13.757 -37.558 -46.832 1.00 50.90 N1+ +ATOM 2569 H ARG A 175 -14.012 -43.986 -44.119 1.00 0.00 H +ATOM 2570 HA ARG A 175 -15.716 -44.212 -46.550 1.00 0.00 H +ATOM 2571 HB3 ARG A 175 -13.828 -42.894 -47.701 1.00 0.00 H +ATOM 2572 HB2 ARG A 175 -13.292 -42.438 -46.131 1.00 0.00 H +ATOM 2573 HG3 ARG A 175 -15.867 -41.715 -45.866 1.00 0.00 H +ATOM 2574 HG2 ARG A 175 -15.704 -41.575 -47.627 1.00 0.00 H +ATOM 2575 HD3 ARG A 175 -13.756 -40.128 -47.359 1.00 0.00 H +ATOM 2576 HD2 ARG A 175 -13.819 -40.324 -45.606 1.00 0.00 H +ATOM 2577 HE ARG A 175 -16.322 -39.412 -46.228 1.00 0.00 H +ATOM 2578 HH12 ARG A 175 -15.701 -35.984 -46.565 1.00 0.00 H +ATOM 2579 HH11 ARG A 175 -16.902 -37.214 -46.243 1.00 0.00 H +ATOM 2580 HH22 ARG A 175 -13.506 -36.587 -46.947 1.00 0.00 H +ATOM 2581 HH21 ARG A 175 -13.050 -38.275 -46.912 1.00 0.00 H +ATOM 2582 N SER A 176 -14.188 -45.822 -47.652 1.00 49.15 N +ATOM 2583 CA SER A 176 -13.313 -46.726 -48.385 1.00 57.34 C +ATOM 2584 C SER A 176 -12.705 -45.978 -49.567 1.00 58.34 C +ATOM 2585 O SER A 176 -13.178 -44.907 -49.951 1.00 61.65 O +ATOM 2586 CB SER A 176 -14.089 -47.961 -48.869 1.00 61.21 C +ATOM 2587 OG SER A 176 -14.728 -47.723 -50.114 1.00 67.88 O +ATOM 2588 H SER A 176 -15.133 -45.724 -47.995 1.00 0.00 H +ATOM 2589 HA SER A 176 -12.510 -47.052 -47.724 1.00 0.00 H +ATOM 2590 HB3 SER A 176 -14.836 -48.235 -48.124 1.00 0.00 H +ATOM 2591 HB2 SER A 176 -13.405 -48.804 -48.968 1.00 0.00 H +ATOM 2592 HG SER A 176 -15.484 -48.308 -50.203 1.00 0.00 H +ATOM 2593 N ILE A 177 -11.666 -46.566 -50.169 1.00 60.14 N +ATOM 2594 CA ILE A 177 -10.959 -45.903 -51.268 1.00 61.91 C +ATOM 2595 C ILE A 177 -11.864 -45.547 -52.446 1.00 64.77 C +ATOM 2596 O ILE A 177 -11.482 -44.721 -53.282 1.00 63.28 O +ATOM 2597 CB ILE A 177 -9.765 -46.753 -51.754 1.00 65.96 C +ATOM 2598 CG1 ILE A 177 -10.183 -48.197 -52.048 1.00 78.34 C +ATOM 2599 CD1 ILE A 177 -10.641 -48.451 -53.479 1.00 85.04 C +ATOM 2600 CG2 ILE A 177 -8.624 -46.694 -50.738 1.00 74.98 C +ATOM 2601 H ILE A 177 -11.359 -47.480 -49.868 1.00 0.00 H +ATOM 2602 HA ILE A 177 -10.554 -44.970 -50.877 1.00 0.00 H +ATOM 2603 HB ILE A 177 -9.404 -46.316 -52.685 1.00 0.00 H +ATOM 2604 HG13 ILE A 177 -10.974 -48.491 -51.358 1.00 0.00 H +ATOM 2605 HG12 ILE A 177 -9.357 -48.867 -51.809 1.00 0.00 H +ATOM 2606 HD11 ILE A 177 -10.917 -49.500 -53.592 1.00 0.00 H +ATOM 2607 HD12 ILE A 177 -11.504 -47.823 -53.702 1.00 0.00 H +ATOM 2608 HD13 ILE A 177 -9.831 -48.212 -54.168 1.00 0.00 H +ATOM 2609 HG21 ILE A 177 -7.789 -47.298 -51.093 1.00 0.00 H +ATOM 2610 HG22 ILE A 177 -8.299 -45.661 -50.616 1.00 0.00 H +ATOM 2611 HG23 ILE A 177 -8.970 -47.081 -49.780 1.00 0.00 H +ATOM 2612 N ALA A 178 -13.055 -46.140 -52.545 1.00 62.38 N +ATOM 2613 CA ALA A 178 -13.973 -45.833 -53.638 1.00 52.33 C +ATOM 2614 C ALA A 178 -15.200 -45.042 -53.187 1.00 49.53 C +ATOM 2615 O ALA A 178 -16.105 -44.803 -53.990 1.00 51.87 O +ATOM 2616 CB ALA A 178 -14.406 -47.116 -54.351 1.00 59.09 C +ATOM 2617 H ALA A 178 -13.340 -46.819 -51.854 1.00 0.00 H +ATOM 2618 HA ALA A 178 -13.433 -45.221 -54.360 1.00 0.00 H +ATOM 2619 HB1 ALA A 178 -15.090 -46.868 -55.163 1.00 0.00 H +ATOM 2620 HB2 ALA A 178 -13.529 -47.620 -54.757 1.00 0.00 H +ATOM 2621 HB3 ALA A 178 -14.908 -47.775 -53.642 1.00 0.00 H +ATOM 2622 N THR A 179 -15.252 -44.603 -51.937 1.00 52.22 N +ATOM 2623 CA THR A 179 -16.346 -43.750 -51.474 1.00 54.36 C +ATOM 2624 C THR A 179 -15.799 -42.597 -50.654 1.00 56.59 C +ATOM 2625 O THR A 179 -16.257 -42.314 -49.547 1.00 66.93 O +ATOM 2626 CB THR A 179 -17.350 -44.546 -50.651 1.00 57.45 C +ATOM 2627 OG1 THR A 179 -16.664 -45.138 -49.545 1.00 57.77 O +ATOM 2628 CG2 THR A 179 -17.990 -45.651 -51.495 1.00 55.28 C +ATOM 2629 H THR A 179 -14.526 -44.857 -51.282 1.00 0.00 H +ATOM 2630 HA THR A 179 -16.859 -43.342 -52.345 1.00 0.00 H +ATOM 2631 HB THR A 179 -18.127 -43.877 -50.280 1.00 0.00 H +ATOM 2632 HG1 THR A 179 -17.304 -45.458 -48.905 1.00 0.00 H +ATOM 2633 HG21 THR A 179 -18.704 -46.206 -50.886 1.00 0.00 H +ATOM 2634 HG22 THR A 179 -18.507 -45.206 -52.345 1.00 0.00 H +ATOM 2635 HG23 THR A 179 -17.216 -46.328 -51.855 1.00 0.00 H +ATOM 2636 N LEU A 180 -14.797 -41.906 -51.206 1.00 64.98 N +ATOM 2637 CA LEU A 180 -14.114 -40.839 -50.486 1.00 61.48 C +ATOM 2638 C LEU A 180 -15.016 -39.659 -50.164 1.00 65.86 C +ATOM 2639 O LEU A 180 -14.599 -38.783 -49.402 1.00 63.44 O +ATOM 2640 CB LEU A 180 -12.910 -40.330 -51.279 1.00 52.05 C +ATOM 2641 CG LEU A 180 -11.949 -41.321 -51.941 1.00 76.29 C +ATOM 2642 CD1 LEU A 180 -10.691 -40.601 -52.435 1.00 82.26 C +ATOM 2643 CD2 LEU A 180 -11.569 -42.421 -50.970 1.00 83.22 C +ATOM 2644 H LEU A 180 -14.495 -42.118 -52.146 1.00 0.00 H +ATOM 2645 HA LEU A 180 -13.748 -41.249 -49.545 1.00 0.00 H +ATOM 2646 HB3 LEU A 180 -12.337 -39.647 -50.652 1.00 0.00 H +ATOM 2647 HB2 LEU A 180 -13.256 -39.618 -52.029 1.00 0.00 H +ATOM 2648 HG LEU A 180 -12.450 -41.772 -52.798 1.00 0.00 H +ATOM 2649 HD11 LEU A 180 -10.020 -41.321 -52.903 1.00 0.00 H +ATOM 2650 HD12 LEU A 180 -10.970 -39.839 -53.163 1.00 0.00 H +ATOM 2651 HD13 LEU A 180 -10.187 -40.129 -51.592 1.00 0.00 H +ATOM 2652 HD21 LEU A 180 -10.886 -43.116 -51.457 1.00 0.00 H +ATOM 2653 HD22 LEU A 180 -11.082 -41.984 -50.098 1.00 0.00 H +ATOM 2654 HD23 LEU A 180 -12.466 -42.954 -50.655 1.00 0.00 H +ATOM 2655 N ALA A 181 -16.226 -39.607 -50.712 1.00 59.28 N +ATOM 2656 CA ALA A 181 -17.144 -38.519 -50.425 1.00 66.80 C +ATOM 2657 C ALA A 181 -18.160 -38.872 -49.339 1.00 56.84 C +ATOM 2658 O ALA A 181 -19.062 -38.073 -49.068 1.00 55.22 O +ATOM 2659 CB ALA A 181 -17.861 -38.095 -51.712 1.00 59.63 C +ATOM 2660 H ALA A 181 -16.526 -40.335 -51.344 1.00 0.00 H +ATOM 2661 HA ALA A 181 -16.558 -37.670 -50.073 1.00 0.00 H +ATOM 2662 HB1 ALA A 181 -18.549 -37.278 -51.493 1.00 0.00 H +ATOM 2663 HB2 ALA A 181 -17.126 -37.763 -52.446 1.00 0.00 H +ATOM 2664 HB3 ALA A 181 -18.418 -38.941 -52.114 1.00 0.00 H +ATOM 2665 N ALA A 182 -18.035 -40.042 -48.714 1.00 52.14 N +ATOM 2666 CA ALA A 182 -19.077 -40.541 -47.823 1.00 43.09 C +ATOM 2667 C ALA A 182 -19.001 -39.831 -46.484 1.00 43.29 C +ATOM 2668 O ALA A 182 -17.935 -39.376 -46.063 1.00 46.01 O +ATOM 2669 CB ALA A 182 -18.942 -42.055 -47.606 1.00 41.23 C +ATOM 2670 H ALA A 182 -17.206 -40.603 -48.853 1.00 0.00 H +ATOM 2671 HA ALA A 182 -20.049 -40.337 -48.272 1.00 0.00 H +ATOM 2672 HB1 ALA A 182 -19.732 -42.399 -46.938 1.00 0.00 H +ATOM 2673 HB2 ALA A 182 -19.028 -42.569 -48.563 1.00 0.00 H +ATOM 2674 HB3 ALA A 182 -17.971 -42.274 -47.162 1.00 0.00 H +ATOM 2675 N ASP A 183 -20.140 -39.768 -45.797 1.00 45.48 N +ATOM 2676 CA ASP A 183 -20.213 -38.951 -44.592 1.00 41.89 C +ATOM 2677 C ASP A 183 -19.285 -39.484 -43.506 1.00 44.79 C +ATOM 2678 O ASP A 183 -19.093 -40.697 -43.353 1.00 47.17 O +ATOM 2679 CB ASP A 183 -21.651 -38.885 -44.079 1.00 52.47 C +ATOM 2680 CG ASP A 183 -22.422 -37.737 -44.686 1.00 87.74 C +ATOM 2681 OD1 ASP A 183 -23.609 -37.563 -44.333 1.00 99.36 O +ATOM 2682 OD2 ASP A 183 -21.837 -36.997 -45.510 1.00 5.20 O1- +ATOM 2683 H ASP A 183 -20.949 -40.285 -46.111 1.00 0.00 H +ATOM 2684 HA ASP A 183 -19.895 -37.940 -44.846 1.00 0.00 H +ATOM 2685 HB3 ASP A 183 -21.644 -38.784 -42.994 1.00 0.00 H +ATOM 2686 HB2 ASP A 183 -22.160 -39.822 -44.304 1.00 0.00 H +ATOM 2687 N LEU A 184 -18.725 -38.564 -42.742 1.00 45.59 N +ATOM 2688 CA LEU A 184 -17.765 -38.871 -41.695 1.00 52.39 C +ATOM 2689 C LEU A 184 -18.401 -38.699 -40.323 1.00 47.46 C +ATOM 2690 O LEU A 184 -19.380 -37.973 -40.151 1.00 44.94 O +ATOM 2691 CB LEU A 184 -16.536 -37.967 -41.827 1.00 51.58 C +ATOM 2692 CG LEU A 184 -15.604 -38.309 -42.986 1.00 50.17 C +ATOM 2693 CD1 LEU A 184 -14.556 -37.222 -43.183 1.00 51.18 C +ATOM 2694 CD2 LEU A 184 -14.939 -39.639 -42.687 1.00 47.06 C +ATOM 2695 H LEU A 184 -18.958 -37.590 -42.871 1.00 0.00 H +ATOM 2696 HA LEU A 184 -17.449 -39.908 -41.805 1.00 0.00 H +ATOM 2697 HB3 LEU A 184 -15.973 -37.986 -40.894 1.00 0.00 H +ATOM 2698 HB2 LEU A 184 -16.859 -36.930 -41.918 1.00 0.00 H +ATOM 2699 HG LEU A 184 -16.193 -38.404 -43.898 1.00 0.00 H +ATOM 2700 HD11 LEU A 184 -13.905 -37.491 -44.015 1.00 0.00 H +ATOM 2701 HD12 LEU A 184 -15.050 -36.275 -43.400 1.00 0.00 H +ATOM 2702 HD13 LEU A 184 -13.961 -37.121 -42.275 1.00 0.00 H +ATOM 2703 HD21 LEU A 184 -14.268 -39.902 -43.504 1.00 0.00 H +ATOM 2704 HD22 LEU A 184 -14.370 -39.561 -41.761 1.00 0.00 H +ATOM 2705 HD23 LEU A 184 -15.701 -40.411 -42.581 1.00 0.00 H +ATOM 2706 N ALA A 185 -17.831 -39.371 -39.335 1.00 46.41 N +ATOM 2707 CA ALA A 185 -18.336 -39.221 -37.977 1.00 44.35 C +ATOM 2708 C ALA A 185 -17.897 -37.879 -37.393 1.00 49.21 C +ATOM 2709 O ALA A 185 -16.730 -37.497 -37.511 1.00 48.17 O +ATOM 2710 CB ALA A 185 -17.835 -40.366 -37.112 1.00 41.34 C +ATOM 2711 H ALA A 185 -17.051 -39.983 -39.525 1.00 0.00 H +ATOM 2712 HA ALA A 185 -19.425 -39.252 -38.003 1.00 0.00 H +ATOM 2713 HB1 ALA A 185 -18.216 -40.249 -36.097 1.00 0.00 H +ATOM 2714 HB2 ALA A 185 -18.184 -41.313 -37.524 1.00 0.00 H +ATOM 2715 HB3 ALA A 185 -16.745 -40.358 -37.094 1.00 0.00 H +ATOM 2716 N VAL A 186 -18.825 -37.156 -36.763 1.00 50.97 N +ATOM 2717 CA VAL A 186 -18.524 -35.850 -36.182 1.00 43.93 C +ATOM 2718 C VAL A 186 -18.687 -35.925 -34.676 1.00 56.73 C +ATOM 2719 O VAL A 186 -19.713 -36.399 -34.173 1.00 51.85 O +ATOM 2720 CB VAL A 186 -19.396 -34.717 -36.750 1.00 53.58 C +ATOM 2721 CG1 VAL A 186 -18.999 -33.387 -36.075 1.00 48.41 C +ATOM 2722 CG2 VAL A 186 -19.221 -34.604 -38.269 1.00 49.45 C +ATOM 2723 H VAL A 186 -19.768 -37.509 -36.677 1.00 0.00 H +ATOM 2724 HA VAL A 186 -17.482 -35.616 -36.398 1.00 0.00 H +ATOM 2725 HB VAL A 186 -20.442 -34.929 -36.528 1.00 0.00 H +ATOM 2726 HG11 VAL A 186 -19.613 -32.579 -36.473 1.00 0.00 H +ATOM 2727 HG12 VAL A 186 -19.154 -33.465 -34.999 1.00 0.00 H +ATOM 2728 HG13 VAL A 186 -17.949 -33.176 -36.276 1.00 0.00 H +ATOM 2729 HG21 VAL A 186 -19.847 -33.796 -38.648 1.00 0.00 H +ATOM 2730 HG22 VAL A 186 -18.177 -34.393 -38.500 1.00 0.00 H +ATOM 2731 HG23 VAL A 186 -19.514 -35.542 -38.740 1.00 0.00 H +ATOM 2732 N ILE A 187 -17.674 -35.449 -33.964 1.00 53.95 N +ATOM 2733 CA ILE A 187 -17.654 -35.452 -32.515 1.00 44.86 C +ATOM 2734 C ILE A 187 -17.516 -34.000 -32.072 1.00 53.66 C +ATOM 2735 O ILE A 187 -16.586 -33.291 -32.499 1.00 48.47 O +ATOM 2736 CB ILE A 187 -16.533 -36.354 -31.975 1.00 51.38 C +ATOM 2737 CG1 ILE A 187 -16.736 -37.774 -32.541 1.00 45.76 C +ATOM 2738 CD1 ILE A 187 -15.791 -38.818 -32.013 1.00 43.19 C +ATOM 2739 CG2 ILE A 187 -16.559 -36.389 -30.458 1.00 48.54 C +ATOM 2740 H ILE A 187 -16.867 -35.061 -34.431 1.00 0.00 H +ATOM 2741 HA ILE A 187 -18.610 -35.834 -32.156 1.00 0.00 H +ATOM 2742 HB ILE A 187 -15.570 -35.969 -32.309 1.00 0.00 H +ATOM 2743 HG13 ILE A 187 -16.666 -37.742 -33.628 1.00 0.00 H +ATOM 2744 HG12 ILE A 187 -17.763 -38.092 -32.358 1.00 0.00 H +ATOM 2745 HD11 ILE A 187 -16.017 -39.780 -32.473 1.00 0.00 H +ATOM 2746 HD12 ILE A 187 -14.766 -38.534 -32.251 1.00 0.00 H +ATOM 2747 HD13 ILE A 187 -15.904 -38.897 -30.932 1.00 0.00 H +ATOM 2748 HG21 ILE A 187 -15.758 -37.033 -30.095 1.00 0.00 H +ATOM 2749 HG22 ILE A 187 -16.419 -35.381 -30.068 1.00 0.00 H +ATOM 2750 HG23 ILE A 187 -17.519 -36.779 -30.119 1.00 0.00 H +ATOM 2751 N THR A 188 -18.464 -33.555 -31.251 1.00 43.29 N +ATOM 2752 CA THR A 188 -18.683 -32.144 -30.954 1.00 55.43 C +ATOM 2753 C THR A 188 -18.320 -31.840 -29.511 1.00 47.67 C +ATOM 2754 O THR A 188 -18.869 -32.452 -28.592 1.00 52.51 O +ATOM 2755 CB THR A 188 -20.146 -31.768 -31.208 1.00 51.75 C +ATOM 2756 OG1 THR A 188 -20.366 -31.682 -32.613 1.00 60.13 O +ATOM 2757 CG2 THR A 188 -20.499 -30.437 -30.554 1.00 46.22 C +ATOM 2758 H THR A 188 -19.083 -34.209 -30.793 1.00 0.00 H +ATOM 2759 HA THR A 188 -18.049 -31.546 -31.608 1.00 0.00 H +ATOM 2760 HB THR A 188 -20.788 -32.546 -30.796 1.00 0.00 H +ATOM 2761 HG1 THR A 188 -19.790 -31.011 -32.987 1.00 0.00 H +ATOM 2762 HG21 THR A 188 -21.544 -30.199 -30.753 1.00 0.00 H +ATOM 2763 HG22 THR A 188 -20.342 -30.507 -29.478 1.00 0.00 H +ATOM 2764 HG23 THR A 188 -19.864 -29.651 -30.963 1.00 0.00 H +ATOM 2765 N VAL A 189 -17.423 -30.875 -29.313 1.00 48.90 N +ATOM 2766 CA VAL A 189 -17.075 -30.419 -27.974 1.00 55.63 C +ATOM 2767 C VAL A 189 -17.292 -28.913 -27.885 1.00 57.44 C +ATOM 2768 O VAL A 189 -17.320 -28.202 -28.892 1.00 54.43 O +ATOM 2769 CB VAL A 189 -15.623 -30.792 -27.583 1.00 59.25 C +ATOM 2770 CG1 VAL A 189 -15.478 -32.313 -27.476 1.00 55.66 C +ATOM 2771 CG2 VAL A 189 -14.623 -30.246 -28.573 1.00 43.52 C +ATOM 2772 H VAL A 189 -16.966 -30.441 -30.102 1.00 0.00 H +ATOM 2773 HA VAL A 189 -17.750 -30.900 -27.267 1.00 0.00 H +ATOM 2774 HB VAL A 189 -15.409 -30.358 -26.606 1.00 0.00 H +ATOM 2775 HG11 VAL A 189 -14.453 -32.562 -27.201 1.00 0.00 H +ATOM 2776 HG12 VAL A 189 -16.160 -32.691 -26.715 1.00 0.00 H +ATOM 2777 HG13 VAL A 189 -15.717 -32.770 -28.436 1.00 0.00 H +ATOM 2778 HG21 VAL A 189 -13.616 -30.528 -28.266 1.00 0.00 H +ATOM 2779 HG22 VAL A 189 -14.829 -30.656 -29.562 1.00 0.00 H +ATOM 2780 HG23 VAL A 189 -14.701 -29.159 -28.607 1.00 0.00 H +ATOM 2781 N THR A 190 -17.467 -28.438 -26.651 1.00 57.98 N +ATOM 2782 CA THR A 190 -17.540 -27.014 -26.334 1.00 51.96 C +ATOM 2783 C THR A 190 -16.195 -26.546 -25.776 1.00 52.87 C +ATOM 2784 O THR A 190 -15.672 -27.145 -24.829 1.00 46.06 O +ATOM 2785 CB THR A 190 -18.652 -26.740 -25.315 1.00 59.58 C +ATOM 2786 OG1 THR A 190 -19.929 -27.082 -25.874 1.00 61.34 O +ATOM 2787 CG2 THR A 190 -18.665 -25.274 -24.903 1.00 55.49 C +ATOM 2788 H THR A 190 -17.557 -29.075 -25.873 1.00 0.00 H +ATOM 2789 HA THR A 190 -17.755 -26.460 -27.248 1.00 0.00 H +ATOM 2790 HB THR A 190 -18.479 -27.353 -24.431 1.00 0.00 H +ATOM 2791 HG1 THR A 190 -20.224 -26.376 -26.453 1.00 0.00 H +ATOM 2792 HG21 THR A 190 -19.463 -25.106 -24.180 1.00 0.00 H +ATOM 2793 HG22 THR A 190 -17.707 -25.014 -24.453 1.00 0.00 H +ATOM 2794 HG23 THR A 190 -18.834 -24.651 -25.781 1.00 0.00 H +ATOM 2795 N LYS A 191 -15.640 -25.491 -26.373 1.00 52.87 N +ATOM 2796 CA LYS A 191 -14.430 -24.830 -25.885 1.00 56.62 C +ATOM 2797 C LYS A 191 -14.431 -24.678 -24.366 1.00 52.44 C +ATOM 2798 O LYS A 191 -15.401 -24.188 -23.783 1.00 45.37 O +ATOM 2799 CB LYS A 191 -14.312 -23.450 -26.538 1.00 56.34 C +ATOM 2800 CG LYS A 191 -13.127 -22.612 -26.066 1.00 57.21 C +ATOM 2801 CD LYS A 191 -11.818 -23.210 -26.538 1.00 64.53 C +ATOM 2802 CE LYS A 191 -10.622 -22.423 -25.998 1.00 60.10 C +ATOM 2803 NZ LYS A 191 -10.586 -21.088 -26.621 1.00 52.81 N1+ +ATOM 2804 H LYS A 191 -16.057 -25.107 -27.209 1.00 0.00 H +ATOM 2805 HA LYS A 191 -13.566 -25.428 -26.175 1.00 0.00 H +ATOM 2806 HB3 LYS A 191 -15.235 -22.894 -26.374 1.00 0.00 H +ATOM 2807 HB2 LYS A 191 -14.263 -23.566 -27.621 1.00 0.00 H +ATOM 2808 HG3 LYS A 191 -13.130 -22.560 -24.977 1.00 0.00 H +ATOM 2809 HG2 LYS A 191 -13.223 -21.598 -26.453 1.00 0.00 H +ATOM 2810 HD3 LYS A 191 -11.791 -23.209 -27.628 1.00 0.00 H +ATOM 2811 HD2 LYS A 191 -11.751 -24.246 -26.205 1.00 0.00 H +ATOM 2812 HE3 LYS A 191 -9.701 -22.957 -26.231 1.00 0.00 H +ATOM 2813 HE2 LYS A 191 -10.715 -22.317 -24.917 1.00 0.00 H +ATOM 2814 HZ1 LYS A 191 -10.108 -21.143 -27.509 1.00 0.00 H +ATOM 2815 HZ2 LYS A 191 -11.529 -20.759 -26.767 1.00 0.00 H +ATOM 2816 HZ3 LYS A 191 -10.096 -20.446 -26.015 1.00 0.00 H +ATOM 2817 N GLY A 192 -13.331 -25.103 -23.727 1.00 52.93 N +ATOM 2818 CA GLY A 192 -13.139 -24.915 -22.297 1.00 41.41 C +ATOM 2819 C GLY A 192 -13.806 -25.940 -21.397 1.00 54.09 C +ATOM 2820 O GLY A 192 -13.772 -25.775 -20.166 1.00 49.55 O +ATOM 2821 H GLY A 192 -12.599 -25.573 -24.240 1.00 0.00 H +ATOM 2822 HA3 GLY A 192 -13.476 -23.917 -22.017 1.00 0.00 H +ATOM 2823 HA2 GLY A 192 -12.072 -24.885 -22.078 1.00 0.00 H +ATOM 2824 N ALA A 193 -14.438 -26.966 -21.959 1.00 49.65 N +ATOM 2825 CA ALA A 193 -14.973 -28.083 -21.193 1.00 53.88 C +ATOM 2826 C ALA A 193 -14.041 -29.283 -21.313 1.00 56.53 C +ATOM 2827 O ALA A 193 -13.178 -29.343 -22.195 1.00 62.75 O +ATOM 2828 CB ALA A 193 -16.379 -28.456 -21.675 1.00 47.19 C +ATOM 2829 H ALA A 193 -14.565 -26.994 -22.961 1.00 0.00 H +ATOM 2830 HA ALA A 193 -15.031 -27.790 -20.145 1.00 0.00 H +ATOM 2831 HB1 ALA A 193 -16.755 -29.293 -21.086 1.00 0.00 H +ATOM 2832 HB2 ALA A 193 -17.044 -27.600 -21.555 1.00 0.00 H +ATOM 2833 HB3 ALA A 193 -16.340 -28.741 -22.726 1.00 0.00 H +ATOM 2834 N ARG A 194 -14.225 -30.247 -20.413 1.00 56.85 N +ATOM 2835 CA ARG A 194 -13.386 -31.441 -20.362 1.00 57.75 C +ATOM 2836 C ARG A 194 -14.219 -32.705 -20.568 1.00 49.49 C +ATOM 2837 O ARG A 194 -15.284 -32.873 -19.969 1.00 44.28 O +ATOM 2838 CB ARG A 194 -12.615 -31.507 -19.032 1.00 50.02 C +ATOM 2839 CG ARG A 194 -11.738 -30.280 -18.824 1.00 60.42 C +ATOM 2840 CD ARG A 194 -12.021 -29.595 -17.499 1.00 65.11 C +ATOM 2841 NE ARG A 194 -11.381 -30.314 -16.408 1.00 72.62 N +ATOM 2842 CZ ARG A 194 -11.981 -30.688 -15.283 1.00 70.53 C +ATOM 2843 NH1 ARG A 194 -13.259 -30.383 -15.067 1.00 59.94 N +ATOM 2844 NH2 ARG A 194 -11.280 -31.345 -14.363 1.00 54.96 N1+ +ATOM 2845 H ARG A 194 -14.967 -30.167 -19.732 1.00 0.00 H +ATOM 2846 HA ARG A 194 -12.659 -31.379 -21.172 1.00 0.00 H +ATOM 2847 HB3 ARG A 194 -11.995 -32.403 -19.017 1.00 0.00 H +ATOM 2848 HB2 ARG A 194 -13.322 -31.591 -18.207 1.00 0.00 H +ATOM 2849 HG3 ARG A 194 -11.902 -29.575 -19.639 1.00 0.00 H +ATOM 2850 HG2 ARG A 194 -10.689 -30.573 -18.864 1.00 0.00 H +ATOM 2851 HD3 ARG A 194 -13.097 -29.562 -17.330 1.00 0.00 H +ATOM 2852 HD2 ARG A 194 -11.644 -28.573 -17.531 1.00 0.00 H +ATOM 2853 HE ARG A 194 -10.405 -30.527 -16.555 1.00 0.00 H +ATOM 2854 HH12 ARG A 194 -13.709 -30.670 -14.210 1.00 0.00 H +ATOM 2855 HH11 ARG A 194 -13.779 -29.864 -15.761 1.00 0.00 H +ATOM 2856 HH22 ARG A 194 -11.723 -31.636 -13.503 1.00 0.00 H +ATOM 2857 HH21 ARG A 194 -10.305 -31.553 -14.524 1.00 0.00 H +ATOM 2858 N TYR A 195 -13.692 -33.612 -21.376 1.00 55.69 N +ATOM 2859 CA TYR A 195 -14.428 -34.759 -21.884 1.00 54.31 C +ATOM 2860 C TYR A 195 -13.767 -36.040 -21.424 1.00 46.77 C +ATOM 2861 O TYR A 195 -12.545 -36.179 -21.533 1.00 47.42 O +ATOM 2862 CB TYR A 195 -14.487 -34.699 -23.404 1.00 38.69 C +ATOM 2863 CG TYR A 195 -15.333 -33.536 -23.802 1.00 42.26 C +ATOM 2864 CD1 TYR A 195 -16.711 -33.685 -23.967 1.00 38.93 C +ATOM 2865 CE1 TYR A 195 -17.502 -32.612 -24.305 1.00 41.24 C +ATOM 2866 CZ TYR A 195 -16.931 -31.358 -24.436 1.00 39.29 C +ATOM 2867 OH TYR A 195 -17.719 -30.284 -24.757 1.00 50.37 O +ATOM 2868 CE2 TYR A 195 -15.578 -31.183 -24.244 1.00 45.02 C +ATOM 2869 CD2 TYR A 195 -14.785 -32.269 -23.924 1.00 40.99 C +ATOM 2870 H TYR A 195 -12.730 -33.527 -21.671 1.00 0.00 H +ATOM 2871 HA TYR A 195 -15.444 -34.727 -21.491 1.00 0.00 H +ATOM 2872 HB3 TYR A 195 -14.930 -35.618 -23.787 1.00 0.00 H +ATOM 2873 HB2 TYR A 195 -13.480 -34.569 -23.801 1.00 0.00 H +ATOM 2874 HD1 TYR A 195 -17.170 -34.653 -23.829 1.00 0.00 H +ATOM 2875 HE1 TYR A 195 -18.561 -32.751 -24.466 1.00 0.00 H +ATOM 2876 HH TYR A 195 -18.599 -30.590 -24.989 1.00 0.00 H +ATOM 2877 HE2 TYR A 195 -15.141 -30.200 -24.344 1.00 0.00 H +ATOM 2878 HD2 TYR A 195 -13.727 -32.121 -23.769 1.00 0.00 H +ATOM 2879 N ARG A 196 -14.567 -36.949 -20.872 1.00 52.42 N +ATOM 2880 CA ARG A 196 -14.126 -38.326 -20.650 1.00 51.87 C +ATOM 2881 C ARG A 196 -14.531 -39.126 -21.874 1.00 51.40 C +ATOM 2882 O ARG A 196 -15.690 -39.509 -22.018 1.00 54.27 O +ATOM 2883 CB ARG A 196 -14.741 -38.932 -19.397 1.00 51.95 C +ATOM 2884 CG ARG A 196 -14.189 -40.329 -19.084 1.00 54.83 C +ATOM 2885 CD ARG A 196 -15.239 -41.180 -18.434 1.00 56.29 C +ATOM 2886 NE ARG A 196 -14.736 -41.939 -17.294 1.00 62.63 N +ATOM 2887 CZ ARG A 196 -14.262 -43.169 -17.372 1.00 62.96 C +ATOM 2888 NH1 ARG A 196 -13.845 -43.788 -16.277 1.00 57.50 N +ATOM 2889 NH2 ARG A 196 -14.223 -43.774 -18.544 1.00 70.41 N1+ +ATOM 2890 H ARG A 196 -15.504 -36.695 -20.595 1.00 0.00 H +ATOM 2891 HA ARG A 196 -13.040 -38.342 -20.557 1.00 0.00 H +ATOM 2892 HB3 ARG A 196 -15.823 -38.988 -19.515 1.00 0.00 H +ATOM 2893 HB2 ARG A 196 -14.559 -38.272 -18.549 1.00 0.00 H +ATOM 2894 HG3 ARG A 196 -13.331 -40.239 -18.418 1.00 0.00 H +ATOM 2895 HG2 ARG A 196 -13.858 -40.804 -20.008 1.00 0.00 H +ATOM 2896 HD3 ARG A 196 -15.655 -41.867 -19.171 1.00 0.00 H +ATOM 2897 HD2 ARG A 196 -16.068 -40.549 -18.112 1.00 0.00 H +ATOM 2898 HE ARG A 196 -14.766 -41.465 -16.403 1.00 0.00 H +ATOM 2899 HH12 ARG A 196 -13.482 -44.729 -16.336 1.00 0.00 H +ATOM 2900 HH11 ARG A 196 -13.890 -43.319 -15.384 1.00 0.00 H +ATOM 2901 HH22 ARG A 196 -13.862 -44.715 -18.615 1.00 0.00 H +ATOM 2902 HH21 ARG A 196 -14.554 -43.296 -19.370 1.00 0.00 H +ATOM 2903 N PHE A 197 -13.576 -39.379 -22.758 1.00 48.51 N +ATOM 2904 CA PHE A 197 -13.832 -40.162 -23.955 1.00 53.55 C +ATOM 2905 C PHE A 197 -13.553 -41.625 -23.667 1.00 59.61 C +ATOM 2906 O PHE A 197 -12.513 -41.972 -23.096 1.00 60.00 O +ATOM 2907 CB PHE A 197 -12.982 -39.675 -25.128 1.00 45.33 C +ATOM 2908 CG PHE A 197 -13.509 -38.425 -25.761 1.00 53.60 C +ATOM 2909 CD1 PHE A 197 -12.689 -37.331 -25.948 1.00 58.63 C +ATOM 2910 CE1 PHE A 197 -13.174 -36.174 -26.522 1.00 61.65 C +ATOM 2911 CZ PHE A 197 -14.493 -36.103 -26.915 1.00 59.35 C +ATOM 2912 CE2 PHE A 197 -15.323 -37.193 -26.739 1.00 51.59 C +ATOM 2913 CD2 PHE A 197 -14.838 -38.341 -26.162 1.00 44.95 C +ATOM 2914 H PHE A 197 -12.642 -39.025 -22.608 1.00 0.00 H +ATOM 2915 HA PHE A 197 -14.884 -40.055 -24.221 1.00 0.00 H +ATOM 2916 HB3 PHE A 197 -12.918 -40.462 -25.880 1.00 0.00 H +ATOM 2917 HB2 PHE A 197 -11.960 -39.506 -24.789 1.00 0.00 H +ATOM 2918 HD1 PHE A 197 -11.654 -37.374 -25.644 1.00 0.00 H +ATOM 2919 HE1 PHE A 197 -12.520 -35.326 -26.663 1.00 0.00 H +ATOM 2920 HZ PHE A 197 -14.876 -35.196 -27.360 1.00 0.00 H +ATOM 2921 HE2 PHE A 197 -16.354 -37.143 -27.055 1.00 0.00 H +ATOM 2922 HD2 PHE A 197 -15.499 -39.183 -26.021 1.00 0.00 H +ATOM 2923 N ARG A 198 -14.477 -42.471 -24.072 1.00 54.16 N +ATOM 2924 CA ARG A 198 -14.385 -43.906 -23.863 1.00 48.56 C +ATOM 2925 C ARG A 198 -14.128 -44.562 -25.221 1.00 49.95 C +ATOM 2926 O ARG A 198 -15.059 -44.778 -25.995 1.00 55.58 O +ATOM 2927 CB ARG A 198 -15.660 -44.412 -23.187 1.00 39.83 C +ATOM 2928 CG ARG A 198 -15.994 -43.645 -21.896 1.00 43.27 C +ATOM 2929 CD ARG A 198 -17.139 -44.291 -21.132 1.00 48.57 C +ATOM 2930 NE ARG A 198 -17.408 -43.634 -19.848 1.00 46.07 N +ATOM 2931 CZ ARG A 198 -17.125 -44.163 -18.657 1.00 49.89 C +ATOM 2932 NH1 ARG A 198 -16.527 -45.350 -18.597 1.00 44.01 N +ATOM 2933 NH2 ARG A 198 -17.423 -43.498 -17.539 1.00 38.73 N1+ +ATOM 2934 H ARG A 198 -15.297 -42.131 -24.553 1.00 0.00 H +ATOM 2935 HA ARG A 198 -13.537 -44.111 -23.209 1.00 0.00 H +ATOM 2936 HB3 ARG A 198 -15.553 -45.473 -22.961 1.00 0.00 H +ATOM 2937 HB2 ARG A 198 -16.495 -44.331 -23.883 1.00 0.00 H +ATOM 2938 HG3 ARG A 198 -16.258 -42.617 -22.143 1.00 0.00 H +ATOM 2939 HG2 ARG A 198 -15.110 -43.605 -21.259 1.00 0.00 H +ATOM 2940 HD3 ARG A 198 -16.912 -45.343 -20.960 1.00 0.00 H +ATOM 2941 HD2 ARG A 198 -18.040 -44.271 -21.745 1.00 0.00 H +ATOM 2942 HE ARG A 198 -17.837 -42.721 -19.906 1.00 0.00 H +ATOM 2943 HH12 ARG A 198 -16.308 -45.760 -17.701 1.00 0.00 H +ATOM 2944 HH11 ARG A 198 -16.292 -45.841 -19.448 1.00 0.00 H +ATOM 2945 HH22 ARG A 198 -17.207 -43.902 -16.639 1.00 0.00 H +ATOM 2946 HH21 ARG A 198 -17.864 -42.591 -17.593 1.00 0.00 H +ATOM 2947 N LEU A 199 -12.858 -44.877 -25.499 1.00 49.59 N +ATOM 2948 CA LEU A 199 -12.454 -45.499 -26.755 1.00 44.25 C +ATOM 2949 C LEU A 199 -12.707 -47.007 -26.721 1.00 54.60 C +ATOM 2950 O LEU A 199 -12.224 -47.709 -25.830 1.00 46.65 O +ATOM 2951 CB LEU A 199 -10.974 -45.240 -27.018 1.00 44.22 C +ATOM 2952 CG LEU A 199 -10.486 -45.594 -28.419 1.00 54.22 C +ATOM 2953 CD1 LEU A 199 -11.358 -44.886 -29.454 1.00 45.82 C +ATOM 2954 CD2 LEU A 199 -9.013 -45.205 -28.575 1.00 51.25 C +ATOM 2955 H LEU A 199 -12.131 -44.685 -24.825 1.00 0.00 H +ATOM 2956 HA LEU A 199 -13.037 -45.063 -27.566 1.00 0.00 H +ATOM 2957 HB3 LEU A 199 -10.378 -45.779 -26.282 1.00 0.00 H +ATOM 2958 HB2 LEU A 199 -10.749 -44.193 -26.812 1.00 0.00 H +ATOM 2959 HG LEU A 199 -10.580 -46.671 -28.560 1.00 0.00 H +ATOM 2960 HD11 LEU A 199 -11.011 -45.138 -30.456 1.00 0.00 H +ATOM 2961 HD12 LEU A 199 -12.393 -45.206 -29.338 1.00 0.00 H +ATOM 2962 HD13 LEU A 199 -11.293 -43.808 -29.308 1.00 0.00 H +ATOM 2963 HD21 LEU A 199 -8.673 -45.461 -29.578 1.00 0.00 H +ATOM 2964 HD22 LEU A 199 -8.901 -44.132 -28.417 1.00 0.00 H +ATOM 2965 HD23 LEU A 199 -8.415 -45.744 -27.840 1.00 0.00 H +ATOM 2966 N VAL A 200 -13.438 -47.512 -27.711 1.00 53.35 N +ATOM 2967 CA VAL A 200 -13.894 -48.897 -27.723 1.00 46.02 C +ATOM 2968 C VAL A 200 -13.580 -49.505 -29.084 1.00 51.42 C +ATOM 2969 O VAL A 200 -14.212 -49.143 -30.084 1.00 50.71 O +ATOM 2970 CB VAL A 200 -15.392 -48.997 -27.435 1.00 46.07 C +ATOM 2971 CG1 VAL A 200 -15.794 -50.451 -27.269 1.00 55.99 C +ATOM 2972 CG2 VAL A 200 -15.758 -48.161 -26.208 1.00 47.55 C +ATOM 2973 H VAL A 200 -13.698 -46.930 -28.494 1.00 0.00 H +ATOM 2974 HA VAL A 200 -13.352 -49.452 -26.957 1.00 0.00 H +ATOM 2975 HB VAL A 200 -15.930 -48.593 -28.293 1.00 0.00 H +ATOM 2976 HG11 VAL A 200 -16.863 -50.512 -27.064 1.00 0.00 H +ATOM 2977 HG12 VAL A 200 -15.568 -50.998 -28.185 1.00 0.00 H +ATOM 2978 HG13 VAL A 200 -15.240 -50.889 -26.439 1.00 0.00 H +ATOM 2979 HG21 VAL A 200 -16.828 -48.244 -26.017 1.00 0.00 H +ATOM 2980 HG22 VAL A 200 -15.206 -48.525 -25.342 1.00 0.00 H +ATOM 2981 HG23 VAL A 200 -15.501 -47.117 -26.389 1.00 0.00 H +ATOM 2982 N SER A 201 -12.641 -50.454 -29.123 1.00 44.30 N +ATOM 2983 CA SER A 201 -12.328 -51.161 -30.367 1.00 46.84 C +ATOM 2984 C SER A 201 -13.321 -52.302 -30.585 1.00 42.36 C +ATOM 2985 O SER A 201 -13.319 -53.284 -29.832 1.00 50.59 O +ATOM 2986 CB SER A 201 -10.899 -51.695 -30.342 1.00 47.45 C +ATOM 2987 OG SER A 201 -10.692 -52.598 -31.417 1.00 54.33 O +ATOM 2988 H SER A 201 -12.132 -50.696 -28.285 1.00 0.00 H +ATOM 2989 HA SER A 201 -12.420 -50.459 -31.196 1.00 0.00 H +ATOM 2990 HB3 SER A 201 -10.720 -52.208 -29.397 1.00 0.00 H +ATOM 2991 HB2 SER A 201 -10.199 -50.864 -30.426 1.00 0.00 H +ATOM 2992 HG SER A 201 -9.790 -52.927 -31.390 1.00 0.00 H +ATOM 2993 N LEU A 202 -14.160 -52.182 -31.618 1.00 45.39 N +ATOM 2994 CA LEU A 202 -15.032 -53.265 -32.080 1.00 55.91 C +ATOM 2995 C LEU A 202 -14.384 -54.120 -33.166 1.00 53.77 C +ATOM 2996 O LEU A 202 -15.093 -54.841 -33.882 1.00 47.45 O +ATOM 2997 CB LEU A 202 -16.352 -52.714 -32.635 1.00 50.37 C +ATOM 2998 CG LEU A 202 -17.070 -51.536 -31.969 1.00 60.99 C +ATOM 2999 CD1 LEU A 202 -18.384 -51.151 -32.713 1.00 38.45 C +ATOM 3000 CD2 LEU A 202 -17.328 -51.826 -30.506 1.00 61.17 C +ATOM 3001 H LEU A 202 -14.216 -51.310 -32.124 1.00 0.00 H +ATOM 3002 HA LEU A 202 -15.260 -53.907 -31.229 1.00 0.00 H +ATOM 3003 HB3 LEU A 202 -17.057 -53.538 -32.746 1.00 0.00 H +ATOM 3004 HB2 LEU A 202 -16.222 -52.493 -33.694 1.00 0.00 H +ATOM 3005 HG LEU A 202 -16.402 -50.676 -32.019 1.00 0.00 H +ATOM 3006 HD11 LEU A 202 -18.858 -50.311 -32.204 1.00 0.00 H +ATOM 3007 HD12 LEU A 202 -18.151 -50.869 -33.740 1.00 0.00 H +ATOM 3008 HD13 LEU A 202 -19.063 -52.003 -32.716 1.00 0.00 H +ATOM 3009 HD21 LEU A 202 -17.839 -50.977 -30.051 1.00 0.00 H +ATOM 3010 HD22 LEU A 202 -17.952 -52.715 -30.416 1.00 0.00 H +ATOM 3011 HD23 LEU A 202 -16.380 -51.995 -29.996 1.00 0.00 H +ATOM 3012 N SER A 203 -13.067 -54.050 -33.308 1.00 51.80 N +ATOM 3013 CA SER A 203 -12.407 -54.585 -34.491 1.00 58.33 C +ATOM 3014 C SER A 203 -12.397 -56.114 -34.488 1.00 47.17 C +ATOM 3015 O SER A 203 -12.245 -56.749 -33.441 1.00 48.40 O +ATOM 3016 CB SER A 203 -10.985 -54.013 -34.573 1.00 47.97 C +ATOM 3017 OG SER A 203 -10.100 -54.825 -35.317 1.00 47.26 O +ATOM 3018 H SER A 203 -12.504 -53.620 -32.588 1.00 0.00 H +ATOM 3019 HA SER A 203 -12.959 -54.250 -35.369 1.00 0.00 H +ATOM 3020 HB3 SER A 203 -10.591 -53.877 -33.566 1.00 0.00 H +ATOM 3021 HB2 SER A 203 -11.020 -53.017 -35.015 1.00 0.00 H +ATOM 3022 HG SER A 203 -9.230 -54.419 -35.334 1.00 0.00 H +ATOM 3023 N CYS A 204 -12.597 -56.700 -35.677 1.00 42.04 N +ATOM 3024 CA CYS A 204 -12.355 -58.123 -35.912 1.00 56.21 C +ATOM 3025 C CYS A 204 -10.889 -58.474 -36.175 1.00 52.44 C +ATOM 3026 O CYS A 204 -10.547 -59.666 -36.155 1.00 45.76 O +ATOM 3027 CB CYS A 204 -13.201 -58.626 -37.094 1.00 50.43 C +ATOM 3028 SG CYS A 204 -14.842 -59.057 -36.539 1.00 63.46 S +ATOM 3029 H CYS A 204 -12.929 -56.154 -36.459 1.00 0.00 H +ATOM 3030 HA CYS A 204 -12.672 -58.666 -35.021 1.00 0.00 H +ATOM 3031 HB3 CYS A 204 -12.725 -59.502 -37.534 1.00 0.00 H +ATOM 3032 HB2 CYS A 204 -13.267 -57.845 -37.851 1.00 0.00 H +ATOM 3033 N ASP A 205 -10.012 -57.494 -36.418 1.00 49.23 N +ATOM 3034 CA ASP A 205 -8.650 -57.876 -36.785 1.00 56.88 C +ATOM 3035 C ASP A 205 -7.640 -56.738 -36.609 1.00 52.73 C +ATOM 3036 O ASP A 205 -6.696 -56.899 -35.830 1.00 57.78 O +ATOM 3037 CB ASP A 205 -8.623 -58.424 -38.223 1.00 57.30 C +ATOM 3038 CG ASP A 205 -7.281 -59.028 -38.599 1.00 61.98 C +ATOM 3039 OD1 ASP A 205 -6.305 -58.835 -37.847 1.00 61.46 O +ATOM 3040 OD2 ASP A 205 -7.203 -59.717 -39.640 1.00 80.24 O1- +ATOM 3041 H ASP A 205 -10.300 -56.529 -36.345 1.00 0.00 H +ATOM 3042 HA ASP A 205 -8.348 -58.686 -36.121 1.00 0.00 H +ATOM 3043 HB3 ASP A 205 -8.868 -57.623 -38.920 1.00 0.00 H +ATOM 3044 HB2 ASP A 205 -9.404 -59.176 -38.339 1.00 0.00 H +ATOM 3045 N PRO A 206 -7.748 -55.600 -37.302 1.00 51.06 N +ATOM 3046 CA PRO A 206 -6.694 -54.592 -37.162 1.00 48.98 C +ATOM 3047 C PRO A 206 -6.629 -53.961 -35.766 1.00 49.59 C +ATOM 3048 O PRO A 206 -7.663 -53.754 -35.118 1.00 57.85 O +ATOM 3049 CB PRO A 206 -7.046 -53.555 -38.236 1.00 51.11 C +ATOM 3050 CG PRO A 206 -8.465 -53.776 -38.533 1.00 55.57 C +ATOM 3051 CD PRO A 206 -8.671 -55.238 -38.393 1.00 50.87 C +ATOM 3052 HA PRO A 206 -5.728 -55.041 -37.393 1.00 0.00 H +ATOM 3053 HB3 PRO A 206 -6.455 -53.747 -39.132 1.00 0.00 H +ATOM 3054 HB2 PRO A 206 -6.914 -52.553 -37.828 1.00 0.00 H +ATOM 3055 HG3 PRO A 206 -8.670 -53.479 -39.562 1.00 0.00 H +ATOM 3056 HG2 PRO A 206 -9.074 -53.253 -37.796 1.00 0.00 H +ATOM 3057 HD2 PRO A 206 -9.696 -55.428 -38.075 1.00 0.00 H +ATOM 3058 HD3 PRO A 206 -8.356 -55.735 -39.310 1.00 0.00 H +ATOM 3059 N SER A 207 -5.407 -53.654 -35.318 1.00 50.10 N +ATOM 3060 CA SER A 207 -5.178 -52.709 -34.237 1.00 47.84 C +ATOM 3061 C SER A 207 -5.105 -51.322 -34.879 1.00 58.64 C +ATOM 3062 O SER A 207 -4.722 -51.182 -36.039 1.00 62.83 O +ATOM 3063 CB SER A 207 -3.871 -53.052 -33.478 1.00 0.00 C +ATOM 3064 OG SER A 207 -2.667 -52.653 -34.109 1.00 0.00 O +ATOM 3065 H SER A 207 -4.623 -53.811 -35.957 1.00 0.00 H +ATOM 3066 HA SER A 207 -6.015 -52.731 -33.541 1.00 0.00 H +ATOM 3067 HB2 SER A 207 -3.887 -52.541 -32.515 1.00 0.00 H +ATOM 3068 HB3 SER A 207 -3.840 -54.121 -33.260 1.00 0.00 H +ATOM 3069 HG SER A 207 -1.945 -53.153 -33.773 1.00 0.00 H +ATOM 3070 N TYR A 208 -5.510 -50.295 -34.132 1.00 50.16 N +ATOM 3071 CA TYR A 208 -5.535 -48.920 -34.598 1.00 56.56 C +ATOM 3072 C TYR A 208 -4.572 -48.070 -33.779 1.00 47.84 C +ATOM 3073 O TYR A 208 -4.542 -48.168 -32.545 1.00 50.28 O +ATOM 3074 CB TYR A 208 -6.963 -48.358 -34.516 1.00 53.53 C +ATOM 3075 CG TYR A 208 -7.913 -49.072 -35.465 1.00 53.68 C +ATOM 3076 CD1 TYR A 208 -7.819 -48.872 -36.836 1.00 40.18 C +ATOM 3077 CE1 TYR A 208 -8.654 -49.531 -37.719 1.00 55.18 C +ATOM 3078 CZ TYR A 208 -9.607 -50.399 -37.240 1.00 56.39 C +ATOM 3079 OH TYR A 208 -10.428 -51.030 -38.136 1.00 57.79 O +ATOM 3080 CE2 TYR A 208 -9.730 -50.621 -35.877 1.00 58.08 C +ATOM 3081 CD2 TYR A 208 -8.875 -49.959 -34.995 1.00 52.08 C +ATOM 3082 H TYR A 208 -5.812 -50.480 -33.189 1.00 0.00 H +ATOM 3083 HA TYR A 208 -5.215 -48.898 -35.640 1.00 0.00 H +ATOM 3084 HB3 TYR A 208 -6.948 -47.294 -34.751 1.00 0.00 H +ATOM 3085 HB2 TYR A 208 -7.332 -48.453 -33.495 1.00 0.00 H +ATOM 3086 HD1 TYR A 208 -7.082 -48.190 -37.233 1.00 0.00 H +ATOM 3087 HE1 TYR A 208 -8.557 -49.363 -38.781 1.00 0.00 H +ATOM 3088 HH TYR A 208 -11.263 -51.243 -37.711 1.00 0.00 H +ATOM 3089 HE2 TYR A 208 -10.483 -51.301 -35.506 1.00 0.00 H +ATOM 3090 HD2 TYR A 208 -8.968 -50.143 -33.935 1.00 0.00 H +ATOM 3091 N THR A 209 -3.772 -47.256 -34.466 1.00 47.61 N +ATOM 3092 CA THR A 209 -2.996 -46.205 -33.814 1.00 52.00 C +ATOM 3093 C THR A 209 -3.851 -44.947 -33.861 1.00 48.27 C +ATOM 3094 O THR A 209 -4.051 -44.372 -34.933 1.00 46.25 O +ATOM 3095 CB THR A 209 -1.645 -45.975 -34.495 1.00 55.95 C +ATOM 3096 OG1 THR A 209 -0.863 -47.174 -34.471 1.00 55.03 O +ATOM 3097 CG2 THR A 209 -0.864 -44.897 -33.766 1.00 54.89 C +ATOM 3098 H THR A 209 -3.689 -47.356 -35.468 1.00 0.00 H +ATOM 3099 HA THR A 209 -2.827 -46.481 -32.773 1.00 0.00 H +ATOM 3100 HB THR A 209 -1.807 -45.669 -35.528 1.00 0.00 H +ATOM 3101 HG1 THR A 209 -1.332 -47.871 -34.935 1.00 0.00 H +ATOM 3102 HG21 THR A 209 0.095 -44.744 -34.262 1.00 0.00 H +ATOM 3103 HG22 THR A 209 -1.431 -43.966 -33.778 1.00 0.00 H +ATOM 3104 HG23 THR A 209 -0.694 -45.205 -32.734 1.00 0.00 H +ATOM 3105 N PHE A 210 -4.359 -44.528 -32.704 1.00 52.54 N +ATOM 3106 CA PHE A 210 -5.414 -43.526 -32.610 1.00 42.03 C +ATOM 3107 C PHE A 210 -4.847 -42.245 -32.044 1.00 44.32 C +ATOM 3108 O PHE A 210 -4.264 -42.252 -30.954 1.00 53.63 O +ATOM 3109 CB PHE A 210 -6.557 -44.011 -31.702 1.00 41.47 C +ATOM 3110 CG PHE A 210 -7.604 -42.947 -31.375 1.00 40.09 C +ATOM 3111 CD1 PHE A 210 -8.713 -42.771 -32.188 1.00 43.05 C +ATOM 3112 CE1 PHE A 210 -9.690 -41.828 -31.881 1.00 41.64 C +ATOM 3113 CZ PHE A 210 -9.568 -41.055 -30.734 1.00 43.34 C +ATOM 3114 CE2 PHE A 210 -8.468 -41.219 -29.912 1.00 41.38 C +ATOM 3115 CD2 PHE A 210 -7.495 -42.163 -30.231 1.00 40.45 C +ATOM 3116 H PHE A 210 -4.014 -44.907 -31.834 1.00 0.00 H +ATOM 3117 HA PHE A 210 -5.809 -43.331 -33.607 1.00 0.00 H +ATOM 3118 HB3 PHE A 210 -6.140 -44.404 -30.775 1.00 0.00 H +ATOM 3119 HB2 PHE A 210 -7.046 -44.869 -32.164 1.00 0.00 H +ATOM 3120 HD1 PHE A 210 -8.831 -43.371 -33.078 1.00 0.00 H +ATOM 3121 HE1 PHE A 210 -10.540 -41.699 -32.534 1.00 0.00 H +ATOM 3122 HZ PHE A 210 -10.330 -40.330 -30.488 1.00 0.00 H +ATOM 3123 HE2 PHE A 210 -8.364 -40.615 -29.023 1.00 0.00 H +ATOM 3124 HD2 PHE A 210 -6.646 -42.281 -29.574 1.00 0.00 H +ATOM 3125 N SER A 211 -5.086 -41.141 -32.743 1.00 42.76 N +ATOM 3126 CA SER A 211 -4.686 -39.839 -32.235 1.00 43.35 C +ATOM 3127 C SER A 211 -5.666 -38.788 -32.733 1.00 50.24 C +ATOM 3128 O SER A 211 -6.360 -38.983 -33.736 1.00 57.50 O +ATOM 3129 CB SER A 211 -3.282 -39.479 -32.696 1.00 42.51 C +ATOM 3130 OG SER A 211 -3.282 -39.434 -34.119 1.00 55.34 O +ATOM 3131 H SER A 211 -5.550 -41.201 -33.638 1.00 0.00 H +ATOM 3132 HA SER A 211 -4.709 -39.859 -31.145 1.00 0.00 H +ATOM 3133 HB3 SER A 211 -2.582 -40.242 -32.357 1.00 0.00 H +ATOM 3134 HB2 SER A 211 -3.011 -38.500 -32.302 1.00 0.00 H +ATOM 3135 HG SER A 211 -3.909 -38.771 -34.418 1.00 0.00 H +ATOM 3136 N ILE A 212 -5.682 -37.652 -32.043 1.00 52.16 N +ATOM 3137 CA ILE A 212 -6.484 -36.501 -32.427 1.00 51.07 C +ATOM 3138 C ILE A 212 -5.544 -35.321 -32.621 1.00 54.45 C +ATOM 3139 O ILE A 212 -4.972 -34.820 -31.645 1.00 52.09 O +ATOM 3140 CB ILE A 212 -7.556 -36.159 -31.380 1.00 54.51 C +ATOM 3141 CG1 ILE A 212 -8.406 -37.379 -31.026 1.00 44.24 C +ATOM 3142 CD1 ILE A 212 -9.557 -37.050 -30.064 1.00 41.95 C +ATOM 3143 CG2 ILE A 212 -8.421 -35.006 -31.868 1.00 51.50 C +ATOM 3144 H ILE A 212 -5.119 -37.560 -31.209 1.00 0.00 H +ATOM 3145 HA ILE A 212 -6.976 -36.717 -33.375 1.00 0.00 H +ATOM 3146 HB ILE A 212 -7.046 -35.833 -30.474 1.00 0.00 H +ATOM 3147 HG13 ILE A 212 -7.771 -38.146 -30.582 1.00 0.00 H +ATOM 3148 HG12 ILE A 212 -8.811 -37.815 -31.939 1.00 0.00 H +ATOM 3149 HD11 ILE A 212 -10.123 -37.957 -29.851 1.00 0.00 H +ATOM 3150 HD12 ILE A 212 -9.151 -36.649 -29.135 1.00 0.00 H +ATOM 3151 HD13 ILE A 212 -10.214 -36.311 -30.522 1.00 0.00 H +ATOM 3152 HG21 ILE A 212 -9.176 -34.774 -31.117 1.00 0.00 H +ATOM 3153 HG22 ILE A 212 -7.796 -34.129 -32.037 1.00 0.00 H +ATOM 3154 HG23 ILE A 212 -8.911 -35.288 -32.800 1.00 0.00 H +ATOM 3155 N ASP A 213 -5.397 -34.873 -33.875 1.00 51.87 N +ATOM 3156 CA ASP A 213 -4.721 -33.622 -34.220 1.00 51.20 C +ATOM 3157 C ASP A 213 -4.827 -32.555 -33.129 1.00 53.84 C +ATOM 3158 O ASP A 213 -5.929 -32.258 -32.661 1.00 57.93 O +ATOM 3159 CB ASP A 213 -5.312 -33.049 -35.519 1.00 54.84 C +ATOM 3160 CG ASP A 213 -4.835 -33.772 -36.775 1.00 53.53 C +ATOM 3161 OD1 ASP A 213 -4.204 -34.844 -36.680 1.00 48.83 O +ATOM 3162 OD2 ASP A 213 -5.100 -33.249 -37.873 1.00 51.67 O1- +ATOM 3163 H ASP A 213 -5.764 -35.408 -34.649 1.00 0.00 H +ATOM 3164 HA ASP A 213 -3.666 -33.837 -34.389 1.00 0.00 H +ATOM 3165 HB3 ASP A 213 -5.062 -31.991 -35.594 1.00 0.00 H +ATOM 3166 HB2 ASP A 213 -6.400 -33.089 -35.470 1.00 0.00 H +ATOM 3167 N GLY A 214 -3.701 -31.967 -32.718 1.00 59.19 N +ATOM 3168 CA GLY A 214 -3.709 -30.801 -31.837 1.00 45.50 C +ATOM 3169 C GLY A 214 -4.067 -31.046 -30.380 1.00 53.98 C +ATOM 3170 O GLY A 214 -4.270 -30.079 -29.634 1.00 50.16 O +ATOM 3171 H GLY A 214 -2.806 -32.327 -33.016 1.00 0.00 H +ATOM 3172 HA3 GLY A 214 -4.378 -30.045 -32.248 1.00 0.00 H +ATOM 3173 HA2 GLY A 214 -2.740 -30.305 -31.890 1.00 0.00 H +ATOM 3174 N HIS A 215 -4.175 -32.298 -29.940 1.00 42.25 N +ATOM 3175 CA HIS A 215 -4.666 -32.567 -28.598 1.00 49.99 C +ATOM 3176 C HIS A 215 -3.914 -33.739 -27.988 1.00 54.77 C +ATOM 3177 O HIS A 215 -3.541 -34.695 -28.675 1.00 51.69 O +ATOM 3178 CB HIS A 215 -6.177 -32.879 -28.582 1.00 49.38 C +ATOM 3179 CG HIS A 215 -7.051 -31.723 -28.963 1.00 53.97 C +ATOM 3180 ND1 HIS A 215 -7.080 -31.192 -30.238 1.00 54.15 N +ATOM 3181 CE1 HIS A 215 -7.958 -30.203 -30.282 1.00 48.44 C +ATOM 3182 NE2 HIS A 215 -8.501 -30.074 -29.082 1.00 42.88 N +ATOM 3183 CD2 HIS A 215 -7.951 -31.013 -28.240 1.00 44.42 C +ATOM 3184 H HIS A 215 -3.915 -33.068 -30.540 1.00 0.00 H +ATOM 3185 HA HIS A 215 -4.489 -31.685 -27.982 1.00 0.00 H +ATOM 3186 HB3 HIS A 215 -6.462 -33.236 -27.592 1.00 0.00 H +ATOM 3187 HB2 HIS A 215 -6.379 -33.719 -29.246 1.00 0.00 H +ATOM 3188 HD1 HIS A 215 -6.482 -31.573 -30.957 1.00 0.00 H +ATOM 3189 HE1 HIS A 215 -8.118 -29.663 -31.204 1.00 0.00 H +ATOM 3190 HD2 HIS A 215 -8.111 -31.246 -27.198 1.00 0.00 H +ATOM 3191 N SER A 216 -3.715 -33.656 -26.683 1.00 53.00 N +ATOM 3192 CA SER A 216 -3.127 -34.721 -25.892 1.00 54.19 C +ATOM 3193 C SER A 216 -4.226 -35.469 -25.157 1.00 56.27 C +ATOM 3194 O SER A 216 -5.313 -34.944 -24.922 1.00 58.63 O +ATOM 3195 CB SER A 216 -2.116 -34.153 -24.894 1.00 57.24 C +ATOM 3196 OG SER A 216 -0.998 -33.634 -25.586 1.00 61.90 O +ATOM 3197 H SER A 216 -3.977 -32.818 -26.185 1.00 0.00 H +ATOM 3198 HA SER A 216 -2.614 -35.414 -26.559 1.00 0.00 H +ATOM 3199 HB3 SER A 216 -1.790 -34.943 -24.218 1.00 0.00 H +ATOM 3200 HB2 SER A 216 -2.585 -33.358 -24.314 1.00 0.00 H +ATOM 3201 HG SER A 216 -0.582 -34.335 -26.094 1.00 0.00 H +ATOM 3202 N LEU A 217 -3.934 -36.711 -24.800 1.00 57.56 N +ATOM 3203 CA LEU A 217 -4.920 -37.608 -24.217 1.00 59.23 C +ATOM 3204 C LEU A 217 -4.403 -38.075 -22.864 1.00 59.30 C +ATOM 3205 O LEU A 217 -3.267 -38.550 -22.770 1.00 64.80 O +ATOM 3206 CB LEU A 217 -5.182 -38.801 -25.156 1.00 47.50 C +ATOM 3207 CG LEU A 217 -5.921 -38.654 -26.507 1.00 46.40 C +ATOM 3208 CD1 LEU A 217 -5.201 -39.299 -27.687 1.00 41.66 C +ATOM 3209 CD2 LEU A 217 -6.275 -37.219 -26.870 1.00 54.15 C +ATOM 3210 H LEU A 217 -2.998 -37.067 -24.929 1.00 0.00 H +ATOM 3211 HA LEU A 217 -5.852 -37.062 -24.070 1.00 0.00 H +ATOM 3212 HB3 LEU A 217 -5.657 -39.598 -24.583 1.00 0.00 H +ATOM 3213 HB2 LEU A 217 -4.240 -39.322 -25.328 1.00 0.00 H +ATOM 3214 HG LEU A 217 -6.867 -39.185 -26.398 1.00 0.00 H +ATOM 3215 HD11 LEU A 217 -5.785 -39.151 -28.595 1.00 0.00 H +ATOM 3216 HD12 LEU A 217 -4.219 -38.841 -27.808 1.00 0.00 H +ATOM 3217 HD13 LEU A 217 -5.083 -40.367 -27.502 1.00 0.00 H +ATOM 3218 HD21 LEU A 217 -6.790 -37.203 -27.830 1.00 0.00 H +ATOM 3219 HD22 LEU A 217 -6.925 -36.799 -26.102 1.00 0.00 H +ATOM 3220 HD23 LEU A 217 -5.363 -36.625 -26.938 1.00 0.00 H +ATOM 3221 N THR A 218 -5.212 -37.924 -21.813 1.00 50.02 N +ATOM 3222 CA THR A 218 -4.830 -38.405 -20.486 1.00 60.53 C +ATOM 3223 C THR A 218 -5.630 -39.652 -20.158 1.00 54.09 C +ATOM 3224 O THR A 218 -6.836 -39.581 -19.909 1.00 60.92 O +ATOM 3225 CB THR A 218 -5.016 -37.351 -19.406 1.00 56.51 C +ATOM 3226 OG1 THR A 218 -4.320 -36.169 -19.794 1.00 64.29 O +ATOM 3227 CG2 THR A 218 -4.429 -37.853 -18.085 1.00 42.88 C +ATOM 3228 H THR A 218 -6.107 -37.470 -21.926 1.00 0.00 H +ATOM 3229 HA THR A 218 -3.775 -38.677 -20.515 1.00 0.00 H +ATOM 3230 HB THR A 218 -6.076 -37.132 -19.281 1.00 0.00 H +ATOM 3231 HG1 THR A 218 -3.387 -36.367 -19.898 1.00 0.00 H +ATOM 3232 HG21 THR A 218 -4.565 -37.094 -17.315 1.00 0.00 H +ATOM 3233 HG22 THR A 218 -4.938 -38.769 -17.785 1.00 0.00 H +ATOM 3234 HG23 THR A 218 -3.365 -38.054 -18.213 1.00 0.00 H +ATOM 3235 N VAL A 219 -4.944 -40.779 -20.125 1.00 49.84 N +ATOM 3236 CA VAL A 219 -5.582 -42.084 -20.043 1.00 49.05 C +ATOM 3237 C VAL A 219 -5.818 -42.426 -18.581 1.00 56.17 C +ATOM 3238 O VAL A 219 -4.903 -42.313 -17.755 1.00 54.52 O +ATOM 3239 CB VAL A 219 -4.713 -43.138 -20.730 1.00 44.22 C +ATOM 3240 CG1 VAL A 219 -5.335 -44.527 -20.597 1.00 51.22 C +ATOM 3241 CG2 VAL A 219 -4.500 -42.722 -22.192 1.00 40.95 C +ATOM 3242 H VAL A 219 -3.935 -40.757 -20.157 1.00 0.00 H +ATOM 3243 HA VAL A 219 -6.545 -42.037 -20.552 1.00 0.00 H +ATOM 3244 HB VAL A 219 -3.742 -43.152 -20.236 1.00 0.00 H +ATOM 3245 HG11 VAL A 219 -4.699 -45.260 -21.093 1.00 0.00 H +ATOM 3246 HG12 VAL A 219 -5.429 -44.784 -19.542 1.00 0.00 H +ATOM 3247 HG13 VAL A 219 -6.322 -44.530 -21.061 1.00 0.00 H +ATOM 3248 HG21 VAL A 219 -3.881 -43.465 -22.695 1.00 0.00 H +ATOM 3249 HG22 VAL A 219 -5.465 -42.652 -22.695 1.00 0.00 H +ATOM 3250 HG23 VAL A 219 -4.003 -41.753 -22.226 1.00 0.00 H +ATOM 3251 N ILE A 220 -7.050 -42.829 -18.254 1.00 42.03 N +ATOM 3252 CA ILE A 220 -7.414 -43.032 -16.856 1.00 49.05 C +ATOM 3253 C ILE A 220 -8.056 -44.399 -16.621 1.00 49.59 C +ATOM 3254 O ILE A 220 -8.307 -44.772 -15.469 1.00 44.91 O +ATOM 3255 CB ILE A 220 -8.322 -41.891 -16.359 1.00 50.83 C +ATOM 3256 CG1 ILE A 220 -9.577 -41.762 -17.216 1.00 47.57 C +ATOM 3257 CD1 ILE A 220 -10.589 -40.777 -16.627 1.00 47.96 C +ATOM 3258 CG2 ILE A 220 -7.567 -40.556 -16.359 1.00 40.82 C +ATOM 3259 H ILE A 220 -7.736 -42.995 -18.977 1.00 0.00 H +ATOM 3260 HA ILE A 220 -6.495 -42.997 -16.271 1.00 0.00 H +ATOM 3261 HB ILE A 220 -8.626 -42.114 -15.336 1.00 0.00 H +ATOM 3262 HG13 ILE A 220 -10.044 -42.741 -17.324 1.00 0.00 H +ATOM 3263 HG12 ILE A 220 -9.299 -41.439 -18.219 1.00 0.00 H +ATOM 3264 HD11 ILE A 220 -11.463 -40.722 -17.275 1.00 0.00 H +ATOM 3265 HD12 ILE A 220 -10.892 -41.116 -15.636 1.00 0.00 H +ATOM 3266 HD13 ILE A 220 -10.133 -39.790 -16.549 1.00 0.00 H +ATOM 3267 HG21 ILE A 220 -8.227 -39.765 -16.004 1.00 0.00 H +ATOM 3268 HG22 ILE A 220 -6.701 -40.628 -15.701 1.00 0.00 H +ATOM 3269 HG23 ILE A 220 -7.235 -40.326 -17.371 1.00 0.00 H +ATOM 3270 N GLU A 221 -8.280 -45.171 -17.693 1.00 47.96 N +ATOM 3271 CA GLU A 221 -8.906 -46.488 -17.596 1.00 47.45 C +ATOM 3272 C GLU A 221 -8.476 -47.364 -18.772 1.00 46.70 C +ATOM 3273 O GLU A 221 -8.332 -46.875 -19.890 1.00 48.00 O +ATOM 3274 CB GLU A 221 -10.446 -46.383 -17.587 1.00 50.54 C +ATOM 3275 CG GLU A 221 -11.146 -47.705 -17.895 1.00 53.28 C +ATOM 3276 CD GLU A 221 -12.557 -47.602 -18.520 1.00 57.50 C +ATOM 3277 OE1 GLU A 221 -13.047 -46.495 -18.864 1.00 56.71 O +ATOM 3278 OE2 GLU A 221 -13.172 -48.679 -18.690 1.00 53.08 O1- +ATOM 3279 H GLU A 221 -8.013 -44.848 -18.612 1.00 0.00 H +ATOM 3280 HA GLU A 221 -8.582 -46.962 -16.670 1.00 0.00 H +ATOM 3281 HB3 GLU A 221 -10.762 -45.630 -18.309 1.00 0.00 H +ATOM 3282 HB2 GLU A 221 -10.778 -46.015 -16.616 1.00 0.00 H +ATOM 3283 HG3 GLU A 221 -11.199 -48.304 -16.986 1.00 0.00 H +ATOM 3284 HG2 GLU A 221 -10.509 -48.306 -18.543 1.00 0.00 H +ATOM 3285 N ALA A 222 -8.287 -48.659 -18.525 1.00 50.27 N +ATOM 3286 CA ALA A 222 -8.031 -49.613 -19.601 1.00 46.15 C +ATOM 3287 C ALA A 222 -8.792 -50.904 -19.325 1.00 48.55 C +ATOM 3288 O ALA A 222 -8.693 -51.457 -18.226 1.00 47.05 O +ATOM 3289 CB ALA A 222 -6.529 -49.891 -19.734 1.00 51.90 C +ATOM 3290 H ALA A 222 -8.319 -49.002 -17.576 1.00 0.00 H +ATOM 3291 HA ALA A 222 -8.392 -49.188 -20.538 1.00 0.00 H +ATOM 3292 HB1 ALA A 222 -6.361 -50.604 -20.541 1.00 0.00 H +ATOM 3293 HB2 ALA A 222 -6.005 -48.961 -19.956 1.00 0.00 H +ATOM 3294 HB3 ALA A 222 -6.152 -50.306 -18.799 1.00 0.00 H +ATOM 3295 N ASP A 223 -9.544 -51.388 -20.321 1.00 52.19 N +ATOM 3296 CA ASP A 223 -10.404 -52.568 -20.174 1.00 49.14 C +ATOM 3297 C ASP A 223 -11.113 -52.648 -18.824 1.00 48.37 C +ATOM 3298 O ASP A 223 -11.120 -53.718 -18.201 1.00 54.10 O +ATOM 3299 CB ASP A 223 -9.630 -53.884 -20.323 1.00 46.04 C +ATOM 3300 CG ASP A 223 -8.704 -53.900 -21.512 1.00 57.37 C +ATOM 3301 OD1 ASP A 223 -8.794 -52.995 -22.385 1.00 56.35 O +ATOM 3302 OD2 ASP A 223 -7.870 -54.839 -21.546 1.00 50.65 O1- +ATOM 3303 H ASP A 223 -9.536 -50.937 -21.225 1.00 0.00 H +ATOM 3304 HA ASP A 223 -11.164 -52.532 -20.954 1.00 0.00 H +ATOM 3305 HB3 ASP A 223 -10.335 -54.711 -20.402 1.00 0.00 H +ATOM 3306 HB2 ASP A 223 -9.057 -54.071 -19.415 1.00 0.00 H +ATOM 3307 N GLY A 224 -11.685 -51.544 -18.351 1.00 45.74 N +ATOM 3308 CA GLY A 224 -12.449 -51.546 -17.121 1.00 45.77 C +ATOM 3309 C GLY A 224 -11.661 -51.284 -15.855 1.00 45.84 C +ATOM 3310 O GLY A 224 -12.252 -51.240 -14.775 1.00 46.66 O +ATOM 3311 H GLY A 224 -11.592 -50.672 -18.853 1.00 0.00 H +ATOM 3312 HA3 GLY A 224 -12.976 -52.495 -17.027 1.00 0.00 H +ATOM 3313 HA2 GLY A 224 -13.257 -50.819 -17.198 1.00 0.00 H +ATOM 3314 N VAL A 225 -10.357 -51.078 -15.942 1.00 50.67 N +ATOM 3315 CA VAL A 225 -9.512 -51.006 -14.759 1.00 51.88 C +ATOM 3316 C VAL A 225 -9.087 -49.559 -14.597 1.00 45.22 C +ATOM 3317 O VAL A 225 -8.471 -48.993 -15.497 1.00 38.27 O +ATOM 3318 CB VAL A 225 -8.298 -51.941 -14.876 1.00 51.46 C +ATOM 3319 CG1 VAL A 225 -7.469 -51.891 -13.609 1.00 48.11 C +ATOM 3320 CG2 VAL A 225 -8.751 -53.366 -15.162 1.00 45.09 C +ATOM 3321 H VAL A 225 -9.923 -50.966 -16.847 1.00 0.00 H +ATOM 3322 HA VAL A 225 -10.099 -51.300 -13.889 1.00 0.00 H +ATOM 3323 HB VAL A 225 -7.680 -51.602 -15.707 1.00 0.00 H +ATOM 3324 HG11 VAL A 225 -6.613 -52.559 -13.708 1.00 0.00 H +ATOM 3325 HG12 VAL A 225 -7.118 -50.872 -13.444 1.00 0.00 H +ATOM 3326 HG13 VAL A 225 -8.079 -52.206 -12.762 1.00 0.00 H +ATOM 3327 HG21 VAL A 225 -7.879 -54.016 -15.242 1.00 0.00 H +ATOM 3328 HG22 VAL A 225 -9.390 -53.714 -14.351 1.00 0.00 H +ATOM 3329 HG23 VAL A 225 -9.308 -53.390 -16.098 1.00 0.00 H +ATOM 3330 N ASN A 226 -9.440 -48.946 -13.469 1.00 51.76 N +ATOM 3331 CA ASN A 226 -9.006 -47.579 -13.222 1.00 49.85 C +ATOM 3332 C ASN A 226 -7.488 -47.563 -13.064 1.00 57.22 C +ATOM 3333 O ASN A 226 -6.908 -48.441 -12.415 1.00 49.71 O +ATOM 3334 CB ASN A 226 -9.704 -47.018 -11.977 1.00 48.83 C +ATOM 3335 CG ASN A 226 -11.172 -46.685 -12.233 1.00 50.82 C +ATOM 3336 OD1 ASN A 226 -12.018 -46.847 -11.200 1.00 57.95 O +ATOM 3337 ND2 ASN A 226 -11.546 -46.304 -13.349 1.00 40.68 N +ATOM 3338 H ASN A 226 -10.007 -49.430 -12.788 1.00 0.00 H +ATOM 3339 HA ASN A 226 -9.275 -46.965 -14.081 1.00 0.00 H +ATOM 3340 HB3 ASN A 226 -9.182 -46.122 -11.642 1.00 0.00 H +ATOM 3341 HB2 ASN A 226 -9.633 -47.741 -11.165 1.00 0.00 H +ATOM 3342 HD22 ASN A 226 -12.519 -46.086 -13.508 1.00 0.00 H +ATOM 3343 HD21 ASN A 226 -10.878 -46.211 -14.101 1.00 0.00 H +ATOM 3344 N LEU A 227 -6.834 -46.598 -13.697 1.00 62.39 N +ATOM 3345 CA LEU A 227 -5.384 -46.516 -13.642 1.00 60.91 C +ATOM 3346 C LEU A 227 -4.967 -45.086 -13.313 1.00 62.76 C +ATOM 3347 O LEU A 227 -5.788 -44.165 -13.311 1.00 55.70 O +ATOM 3348 CB LEU A 227 -4.760 -47.014 -14.952 1.00 67.71 C +ATOM 3349 CG LEU A 227 -5.258 -46.559 -16.311 1.00 63.45 C +ATOM 3350 CD1 LEU A 227 -4.612 -45.240 -16.650 1.00 71.59 C +ATOM 3351 CD2 LEU A 227 -4.913 -47.605 -17.349 1.00 44.01 C +ATOM 3352 H LEU A 227 -7.344 -45.906 -14.227 1.00 0.00 H +ATOM 3353 HA LEU A 227 -5.039 -47.163 -12.836 1.00 0.00 H +ATOM 3354 HB3 LEU A 227 -4.736 -48.104 -14.936 1.00 0.00 H +ATOM 3355 HB2 LEU A 227 -3.682 -46.861 -14.906 1.00 0.00 H +ATOM 3356 HG LEU A 227 -6.340 -46.431 -16.274 1.00 0.00 H +ATOM 3357 HD11 LEU A 227 -4.963 -44.903 -17.625 1.00 0.00 H +ATOM 3358 HD12 LEU A 227 -4.876 -44.500 -15.894 1.00 0.00 H +ATOM 3359 HD13 LEU A 227 -3.529 -45.361 -16.676 1.00 0.00 H +ATOM 3360 HD21 LEU A 227 -5.270 -47.280 -18.326 1.00 0.00 H +ATOM 3361 HD22 LEU A 227 -3.832 -47.740 -17.384 1.00 0.00 H +ATOM 3362 HD23 LEU A 227 -5.388 -48.550 -17.085 1.00 0.00 H +ATOM 3363 N LYS A 228 -3.681 -44.912 -12.989 1.00 55.53 N +ATOM 3364 CA LYS A 228 -3.187 -43.580 -12.665 1.00 58.79 C +ATOM 3365 C LYS A 228 -3.113 -42.735 -13.937 1.00 59.30 C +ATOM 3366 O LYS A 228 -2.702 -43.234 -14.992 1.00 58.41 O +ATOM 3367 CB LYS A 228 -1.815 -43.650 -11.986 1.00 58.80 C +ATOM 3368 CG LYS A 228 -1.793 -44.501 -10.696 1.00 62.68 C +ATOM 3369 CD LYS A 228 -0.536 -44.242 -9.850 1.00 62.86 C +ATOM 3370 CE LYS A 228 -0.349 -45.282 -8.745 1.00 56.55 C +ATOM 3371 NZ LYS A 228 -0.995 -44.893 -7.445 1.00 55.30 N1+ +ATOM 3372 H LYS A 228 -3.054 -45.703 -12.969 1.00 0.00 H +ATOM 3373 HA LYS A 228 -3.889 -43.109 -11.977 1.00 0.00 H +ATOM 3374 HB3 LYS A 228 -1.472 -42.641 -11.759 1.00 0.00 H +ATOM 3375 HB2 LYS A 228 -1.083 -44.043 -12.691 1.00 0.00 H +ATOM 3376 HG3 LYS A 228 -1.842 -45.558 -10.958 1.00 0.00 H +ATOM 3377 HG2 LYS A 228 -2.681 -44.283 -10.102 1.00 0.00 H +ATOM 3378 HD3 LYS A 228 -0.597 -43.248 -9.406 1.00 0.00 H +ATOM 3379 HD2 LYS A 228 0.342 -44.239 -10.497 1.00 0.00 H +ATOM 3380 HE3 LYS A 228 0.716 -45.451 -8.584 1.00 0.00 H +ATOM 3381 HE2 LYS A 228 -0.752 -46.239 -9.077 1.00 0.00 H +ATOM 3382 HZ1 LYS A 228 -1.963 -45.183 -7.450 1.00 0.00 H +ATOM 3383 HZ2 LYS A 228 -0.513 -45.344 -6.681 1.00 0.00 H +ATOM 3384 HZ3 LYS A 228 -0.945 -43.891 -7.330 1.00 0.00 H +ATOM 3385 N PRO A 229 -3.511 -41.464 -13.875 1.00 55.73 N +ATOM 3386 CA PRO A 229 -3.605 -40.663 -15.104 1.00 54.34 C +ATOM 3387 C PRO A 229 -2.252 -40.573 -15.794 1.00 57.55 C +ATOM 3388 O PRO A 229 -1.212 -40.446 -15.147 1.00 70.95 O +ATOM 3389 CB PRO A 229 -4.091 -39.294 -14.605 1.00 49.59 C +ATOM 3390 CG PRO A 229 -4.685 -39.561 -13.235 1.00 49.19 C +ATOM 3391 CD PRO A 229 -3.836 -40.673 -12.675 1.00 52.65 C +ATOM 3392 HA PRO A 229 -4.342 -41.098 -15.779 1.00 0.00 H +ATOM 3393 HB3 PRO A 229 -4.870 -38.922 -15.271 1.00 0.00 H +ATOM 3394 HB2 PRO A 229 -3.238 -38.622 -14.505 1.00 0.00 H +ATOM 3395 HG3 PRO A 229 -5.711 -39.912 -13.349 1.00 0.00 H +ATOM 3396 HG2 PRO A 229 -4.572 -38.673 -12.613 1.00 0.00 H +ATOM 3397 HD2 PRO A 229 -2.919 -40.252 -12.263 1.00 0.00 H +ATOM 3398 HD3 PRO A 229 -4.438 -41.279 -11.998 1.00 0.00 H +ATOM 3399 N GLN A 230 -2.273 -40.674 -17.119 1.00 65.44 N +ATOM 3400 CA GLN A 230 -1.050 -40.822 -17.910 1.00 56.95 C +ATOM 3401 C GLN A 230 -1.279 -40.092 -19.224 1.00 60.12 C +ATOM 3402 O GLN A 230 -2.107 -40.521 -20.035 1.00 54.54 O +ATOM 3403 CB GLN A 230 -0.726 -42.303 -18.144 1.00 53.08 C +ATOM 3404 CG GLN A 230 0.459 -42.569 -19.092 1.00 60.05 C +ATOM 3405 CD GLN A 230 1.776 -41.989 -18.591 1.00 60.09 C +ATOM 3406 OE1 GLN A 230 2.135 -42.138 -17.422 1.00 62.66 O +ATOM 3407 NE2 GLN A 230 2.495 -41.310 -19.477 1.00 64.56 N +ATOM 3408 H GLN A 230 -3.153 -40.650 -17.613 1.00 0.00 H +ATOM 3409 HA GLN A 230 -0.221 -40.353 -17.379 1.00 0.00 H +ATOM 3410 HB3 GLN A 230 -1.613 -42.810 -18.524 1.00 0.00 H +ATOM 3411 HB2 GLN A 230 -0.537 -42.786 -17.186 1.00 0.00 H +ATOM 3412 HG3 GLN A 230 0.234 -42.159 -20.076 1.00 0.00 H +ATOM 3413 HG2 GLN A 230 0.570 -43.643 -19.240 1.00 0.00 H +ATOM 3414 HE22 GLN A 230 3.378 -40.902 -19.205 1.00 0.00 H +ATOM 3415 HE21 GLN A 230 2.159 -41.202 -20.423 1.00 0.00 H +ATOM 3416 N THR A 231 -0.572 -38.988 -19.431 1.00 60.00 N +ATOM 3417 CA THR A 231 -0.743 -38.225 -20.658 1.00 51.42 C +ATOM 3418 C THR A 231 -0.025 -38.913 -21.816 1.00 49.48 C +ATOM 3419 O THR A 231 1.096 -39.397 -21.665 1.00 59.91 O +ATOM 3420 CB THR A 231 -0.225 -36.800 -20.479 1.00 57.05 C +ATOM 3421 OG1 THR A 231 -0.565 -36.341 -19.170 1.00 74.45 O +ATOM 3422 CG2 THR A 231 -0.892 -35.872 -21.485 1.00 51.18 C +ATOM 3423 H THR A 231 0.089 -38.674 -18.735 1.00 0.00 H +ATOM 3424 HA THR A 231 -1.807 -38.179 -20.890 1.00 0.00 H +ATOM 3425 HB THR A 231 0.857 -36.778 -20.612 1.00 0.00 H +ATOM 3426 HG1 THR A 231 0.165 -35.832 -18.810 1.00 0.00 H +ATOM 3427 HG21 THR A 231 -0.516 -34.858 -21.349 1.00 0.00 H +ATOM 3428 HG22 THR A 231 -0.667 -36.210 -22.497 1.00 0.00 H +ATOM 3429 HG23 THR A 231 -1.971 -35.883 -21.330 1.00 0.00 H +ATOM 3430 N VAL A 232 -0.696 -38.981 -22.970 1.00 57.10 N +ATOM 3431 CA VAL A 232 -0.124 -39.504 -24.208 1.00 53.46 C +ATOM 3432 C VAL A 232 -0.593 -38.613 -25.349 1.00 46.75 C +ATOM 3433 O VAL A 232 -1.445 -37.743 -25.172 1.00 48.98 O +ATOM 3434 CB VAL A 232 -0.522 -40.976 -24.486 1.00 55.75 C +ATOM 3435 CG1 VAL A 232 -0.092 -41.884 -23.344 1.00 55.53 C +ATOM 3436 CG2 VAL A 232 -2.021 -41.093 -24.726 1.00 48.88 C +ATOM 3437 H VAL A 232 -1.653 -38.660 -23.018 1.00 0.00 H +ATOM 3438 HA VAL A 232 0.962 -39.443 -24.143 1.00 0.00 H +ATOM 3439 HB VAL A 232 -0.007 -41.301 -25.390 1.00 0.00 H +ATOM 3440 HG11 VAL A 232 -0.384 -42.911 -23.566 1.00 0.00 H +ATOM 3441 HG12 VAL A 232 0.990 -41.832 -23.226 1.00 0.00 H +ATOM 3442 HG13 VAL A 232 -0.574 -41.561 -22.421 1.00 0.00 H +ATOM 3443 HG21 VAL A 232 -2.278 -42.134 -24.919 1.00 0.00 H +ATOM 3444 HG22 VAL A 232 -2.559 -40.744 -23.845 1.00 0.00 H +ATOM 3445 HG23 VAL A 232 -2.300 -40.485 -25.586 1.00 0.00 H +ATOM 3446 N ASP A 233 -0.022 -38.837 -26.534 1.00 56.81 N +ATOM 3447 CA ASP A 233 -0.445 -38.139 -27.745 1.00 52.62 C +ATOM 3448 C ASP A 233 -0.809 -39.102 -28.865 1.00 43.73 C +ATOM 3449 O ASP A 233 -0.978 -38.671 -30.010 1.00 50.30 O +ATOM 3450 CB ASP A 233 0.635 -37.156 -28.224 1.00 40.02 C +ATOM 3451 CG ASP A 233 1.897 -37.848 -28.738 1.00 58.95 C +ATOM 3452 OD1 ASP A 233 1.990 -39.111 -28.713 1.00 49.46 O +ATOM 3453 OD2 ASP A 233 2.818 -37.102 -29.155 1.00 60.87 O1- +ATOM 3454 H ASP A 233 0.729 -39.508 -26.614 1.00 0.00 H +ATOM 3455 HA ASP A 233 -1.336 -37.561 -27.501 1.00 0.00 H +ATOM 3456 HB3 ASP A 233 0.898 -36.482 -27.409 1.00 0.00 H +ATOM 3457 HB2 ASP A 233 0.224 -36.522 -29.010 1.00 0.00 H +ATOM 3458 N SER A 234 -0.863 -40.396 -28.580 1.00 47.84 N +ATOM 3459 CA SER A 234 -1.460 -41.373 -29.482 1.00 50.07 C +ATOM 3460 C SER A 234 -1.678 -42.636 -28.669 1.00 51.40 C +ATOM 3461 O SER A 234 -1.109 -42.787 -27.588 1.00 46.37 O +ATOM 3462 CB SER A 234 -0.585 -41.653 -30.709 1.00 45.59 C +ATOM 3463 OG SER A 234 0.400 -42.616 -30.408 1.00 55.27 O +ATOM 3464 H SER A 234 -0.481 -40.738 -27.710 1.00 0.00 H +ATOM 3465 HA SER A 234 -2.427 -40.998 -29.817 1.00 0.00 H +ATOM 3466 HB3 SER A 234 -0.103 -40.729 -31.030 1.00 0.00 H +ATOM 3467 HB2 SER A 234 -1.210 -42.016 -31.525 1.00 0.00 H +ATOM 3468 HG SER A 234 -0.024 -43.434 -30.136 1.00 0.00 H +ATOM 3469 N ILE A 235 -2.526 -43.531 -29.178 1.00 57.23 N +ATOM 3470 CA ILE A 235 -2.895 -44.746 -28.449 1.00 48.23 C +ATOM 3471 C ILE A 235 -3.011 -45.885 -29.442 1.00 55.31 C +ATOM 3472 O ILE A 235 -3.767 -45.796 -30.416 1.00 59.28 O +ATOM 3473 CB ILE A 235 -4.220 -44.613 -27.664 1.00 54.81 C +ATOM 3474 CG1 ILE A 235 -4.205 -43.427 -26.682 1.00 48.93 C +ATOM 3475 CD1 ILE A 235 -5.465 -43.326 -25.748 1.00 41.05 C +ATOM 3476 CG2 ILE A 235 -4.529 -45.921 -26.916 1.00 51.12 C +ATOM 3477 H ILE A 235 -2.933 -43.380 -30.090 1.00 0.00 H +ATOM 3478 HA ILE A 235 -2.098 -44.982 -27.744 1.00 0.00 H +ATOM 3479 HB ILE A 235 -5.020 -44.442 -28.384 1.00 0.00 H +ATOM 3480 HG13 ILE A 235 -4.095 -42.498 -27.241 1.00 0.00 H +ATOM 3481 HG12 ILE A 235 -3.305 -43.477 -26.069 1.00 0.00 H +ATOM 3482 HD11 ILE A 235 -5.364 -42.461 -25.093 1.00 0.00 H +ATOM 3483 HD12 ILE A 235 -6.362 -43.216 -26.358 1.00 0.00 H +ATOM 3484 HD13 ILE A 235 -5.544 -44.231 -25.145 1.00 0.00 H +ATOM 3485 HG21 ILE A 235 -5.465 -45.814 -26.367 1.00 0.00 H +ATOM 3486 HG22 ILE A 235 -4.620 -46.737 -27.633 1.00 0.00 H +ATOM 3487 HG23 ILE A 235 -3.722 -46.140 -26.217 1.00 0.00 H +ATOM 3488 N GLN A 236 -2.273 -46.956 -29.194 1.00 51.16 N +ATOM 3489 CA GLN A 236 -2.421 -48.177 -29.960 1.00 45.78 C +ATOM 3490 C GLN A 236 -3.456 -49.034 -29.259 1.00 55.56 C +ATOM 3491 O GLN A 236 -3.273 -49.404 -28.094 1.00 63.03 O +ATOM 3492 CB GLN A 236 -1.093 -48.919 -30.090 1.00 48.19 C +ATOM 3493 CG GLN A 236 -1.121 -49.927 -31.212 1.00 55.35 C +ATOM 3494 CD GLN A 236 0.258 -50.314 -31.702 1.00 58.96 C +ATOM 3495 OE1 GLN A 236 1.272 -50.053 -31.047 1.00 58.54 O +ATOM 3496 NE2 GLN A 236 0.302 -50.941 -32.866 1.00 64.36 N +ATOM 3497 H GLN A 236 -1.585 -46.935 -28.455 1.00 0.00 H +ATOM 3498 HA GLN A 236 -2.785 -47.927 -30.956 1.00 0.00 H +ATOM 3499 HB3 GLN A 236 -0.868 -49.427 -29.152 1.00 0.00 H +ATOM 3500 HB2 GLN A 236 -0.292 -48.201 -30.267 1.00 0.00 H +ATOM 3501 HG3 GLN A 236 -1.701 -49.527 -32.043 1.00 0.00 H +ATOM 3502 HG2 GLN A 236 -1.652 -50.820 -30.883 1.00 0.00 H +ATOM 3503 HE22 GLN A 236 1.190 -51.228 -33.252 1.00 0.00 H +ATOM 3504 HE21 GLN A 236 -0.553 -51.133 -33.369 1.00 0.00 H +ATOM 3505 N ILE A 237 -4.553 -49.320 -29.953 1.00 49.70 N +ATOM 3506 CA ILE A 237 -5.679 -50.034 -29.373 1.00 52.16 C +ATOM 3507 C ILE A 237 -5.870 -51.322 -30.171 1.00 56.86 C +ATOM 3508 O ILE A 237 -6.040 -51.284 -31.396 1.00 54.34 O +ATOM 3509 CB ILE A 237 -6.951 -49.162 -29.350 1.00 49.94 C +ATOM 3510 CG1 ILE A 237 -8.155 -49.964 -28.854 1.00 55.25 C +ATOM 3511 CD1 ILE A 237 -8.517 -49.710 -27.415 1.00 49.30 C +ATOM 3512 CG2 ILE A 237 -7.242 -48.531 -30.731 1.00 45.09 C +ATOM 3513 H ILE A 237 -4.626 -49.040 -30.921 1.00 0.00 H +ATOM 3514 HA ILE A 237 -5.427 -50.299 -28.347 1.00 0.00 H +ATOM 3515 HB ILE A 237 -6.782 -48.349 -28.644 1.00 0.00 H +ATOM 3516 HG13 ILE A 237 -7.964 -51.028 -28.996 1.00 0.00 H +ATOM 3517 HG12 ILE A 237 -9.017 -49.750 -29.486 1.00 0.00 H +ATOM 3518 HD11 ILE A 237 -9.380 -50.318 -27.144 1.00 0.00 H +ATOM 3519 HD12 ILE A 237 -7.674 -49.972 -26.776 1.00 0.00 H +ATOM 3520 HD13 ILE A 237 -8.759 -48.656 -27.281 1.00 0.00 H +ATOM 3521 HG21 ILE A 237 -8.145 -47.926 -30.671 1.00 0.00 H +ATOM 3522 HG22 ILE A 237 -6.401 -47.903 -31.027 1.00 0.00 H +ATOM 3523 HG23 ILE A 237 -7.381 -49.322 -31.468 1.00 0.00 H +ATOM 3524 N PHE A 238 -5.798 -52.465 -29.484 1.00 51.95 N +ATOM 3525 CA PHE A 238 -5.949 -53.730 -30.189 1.00 50.47 C +ATOM 3526 C PHE A 238 -7.383 -54.216 -30.090 1.00 43.47 C +ATOM 3527 O PHE A 238 -8.153 -53.746 -29.250 1.00 47.47 O +ATOM 3528 CB PHE A 238 -4.973 -54.782 -29.633 1.00 46.99 C +ATOM 3529 CG PHE A 238 -3.546 -54.481 -29.963 1.00 43.23 C +ATOM 3530 CD1 PHE A 238 -2.836 -53.557 -29.206 1.00 40.74 C +ATOM 3531 CE1 PHE A 238 -1.514 -53.235 -29.520 1.00 41.55 C +ATOM 3532 CZ PHE A 238 -0.892 -53.826 -30.613 1.00 38.84 C +ATOM 3533 CE2 PHE A 238 -1.607 -54.751 -31.403 1.00 41.90 C +ATOM 3534 CD2 PHE A 238 -2.930 -55.061 -31.071 1.00 43.97 C +ATOM 3535 H PHE A 238 -5.640 -52.446 -28.487 1.00 0.00 H +ATOM 3536 HA PHE A 238 -5.714 -53.566 -31.241 1.00 0.00 H +ATOM 3537 HB3 PHE A 238 -5.236 -55.764 -30.026 1.00 0.00 H +ATOM 3538 HB2 PHE A 238 -5.089 -54.847 -28.551 1.00 0.00 H +ATOM 3539 HD1 PHE A 238 -3.306 -53.076 -28.361 1.00 0.00 H +ATOM 3540 HE1 PHE A 238 -0.972 -52.525 -28.913 1.00 0.00 H +ATOM 3541 HZ PHE A 238 0.131 -53.576 -30.852 1.00 0.00 H +ATOM 3542 HE2 PHE A 238 -1.132 -55.213 -32.256 1.00 0.00 H +ATOM 3543 HD2 PHE A 238 -3.475 -55.761 -31.687 1.00 0.00 H +ATOM 3544 N PRO A 239 -7.794 -55.098 -30.985 1.00 40.20 N +ATOM 3545 CA PRO A 239 -9.168 -55.617 -30.931 1.00 40.89 C +ATOM 3546 C PRO A 239 -9.629 -55.979 -29.529 1.00 48.44 C +ATOM 3547 O PRO A 239 -8.932 -56.692 -28.803 1.00 51.81 O +ATOM 3548 CB PRO A 239 -9.102 -56.840 -31.854 1.00 38.38 C +ATOM 3549 CG PRO A 239 -8.116 -56.382 -32.931 1.00 43.89 C +ATOM 3550 CD PRO A 239 -7.088 -55.507 -32.219 1.00 38.31 C +ATOM 3551 HA PRO A 239 -9.849 -54.880 -31.356 1.00 0.00 H +ATOM 3552 HB3 PRO A 239 -10.080 -57.000 -32.308 1.00 0.00 H +ATOM 3553 HB2 PRO A 239 -8.672 -57.679 -31.307 1.00 0.00 H +ATOM 3554 HG3 PRO A 239 -8.644 -55.787 -33.676 1.00 0.00 H +ATOM 3555 HG2 PRO A 239 -7.617 -57.252 -33.359 1.00 0.00 H +ATOM 3556 HD2 PRO A 239 -6.222 -56.113 -31.954 1.00 0.00 H +ATOM 3557 HD3 PRO A 239 -6.884 -54.625 -32.826 1.00 0.00 H +ATOM 3558 N ALA A 240 -10.785 -55.436 -29.129 1.00 55.13 N +ATOM 3559 CA ALA A 240 -11.555 -55.731 -27.906 1.00 45.22 C +ATOM 3560 C ALA A 240 -11.041 -54.960 -26.702 1.00 45.22 C +ATOM 3561 O ALA A 240 -11.586 -55.144 -25.597 1.00 52.79 O +ATOM 3562 CB ALA A 240 -11.592 -57.231 -27.553 1.00 55.71 C +ATOM 3563 H ALA A 240 -11.234 -54.730 -29.695 1.00 0.00 H +ATOM 3564 HA ALA A 240 -12.582 -55.412 -28.083 1.00 0.00 H +ATOM 3565 HB1 ALA A 240 -12.174 -57.376 -26.643 1.00 0.00 H +ATOM 3566 HB2 ALA A 240 -12.052 -57.786 -28.371 1.00 0.00 H +ATOM 3567 HB3 ALA A 240 -10.576 -57.593 -27.395 1.00 0.00 H +ATOM 3568 N GLN A 241 -10.028 -54.112 -26.862 1.00 41.71 N +ATOM 3569 CA GLN A 241 -9.527 -53.283 -25.777 1.00 47.85 C +ATOM 3570 C GLN A 241 -10.361 -52.013 -25.659 1.00 49.25 C +ATOM 3571 O GLN A 241 -10.989 -51.570 -26.625 1.00 55.27 O +ATOM 3572 CB GLN A 241 -8.043 -52.928 -25.991 1.00 44.76 C +ATOM 3573 CG GLN A 241 -7.110 -54.154 -26.016 1.00 42.91 C +ATOM 3574 CD GLN A 241 -5.628 -53.794 -26.000 1.00 46.95 C +ATOM 3575 OE1 GLN A 241 -5.269 -52.733 -26.721 1.00 48.97 O +ATOM 3576 NE2 GLN A 241 -4.821 -54.461 -25.345 1.00 46.63 N +ATOM 3577 H GLN A 241 -9.578 -54.027 -27.762 1.00 0.00 H +ATOM 3578 HA GLN A 241 -9.617 -53.842 -24.846 1.00 0.00 H +ATOM 3579 HB3 GLN A 241 -7.719 -52.243 -25.208 1.00 0.00 H +ATOM 3580 HB2 GLN A 241 -7.935 -52.372 -26.922 1.00 0.00 H +ATOM 3581 HG3 GLN A 241 -7.327 -54.755 -26.899 1.00 0.00 H +ATOM 3582 HG2 GLN A 241 -7.335 -54.797 -25.165 1.00 0.00 H +ATOM 3583 HE22 GLN A 241 -3.842 -54.211 -25.344 1.00 0.00 H +ATOM 3584 HE21 GLN A 241 -5.140 -55.257 -24.811 1.00 0.00 H +ATOM 3585 N ARG A 242 -10.367 -51.431 -24.457 1.00 43.37 N +ATOM 3586 CA ARG A 242 -10.980 -50.126 -24.231 1.00 52.13 C +ATOM 3587 C ARG A 242 -10.054 -49.216 -23.421 1.00 46.57 C +ATOM 3588 O ARG A 242 -9.303 -49.679 -22.559 1.00 43.47 O +ATOM 3589 CB ARG A 242 -12.352 -50.228 -23.496 1.00 50.65 C +ATOM 3590 CG ARG A 242 -13.489 -51.060 -24.156 1.00 50.87 C +ATOM 3591 CD ARG A 242 -13.303 -52.537 -23.997 1.00 49.39 C +ATOM 3592 NE ARG A 242 -13.454 -52.859 -22.587 1.00 50.81 N +ATOM 3593 CZ ARG A 242 -12.915 -53.925 -22.014 1.00 49.24 C +ATOM 3594 NH1 ARG A 242 -12.187 -54.752 -22.746 1.00 45.66 N +ATOM 3595 NH2 ARG A 242 -13.087 -54.125 -20.715 1.00 37.87 N1+ +ATOM 3596 H ARG A 242 -9.938 -51.895 -23.669 1.00 0.00 H +ATOM 3597 HA ARG A 242 -11.150 -49.659 -25.201 1.00 0.00 H +ATOM 3598 HB3 ARG A 242 -12.720 -49.223 -23.288 1.00 0.00 H +ATOM 3599 HB2 ARG A 242 -12.187 -50.592 -22.482 1.00 0.00 H +ATOM 3600 HG3 ARG A 242 -13.548 -50.815 -25.216 1.00 0.00 H +ATOM 3601 HG2 ARG A 242 -14.447 -50.768 -23.727 1.00 0.00 H +ATOM 3602 HD3 ARG A 242 -12.302 -52.814 -24.327 1.00 0.00 H +ATOM 3603 HD2 ARG A 242 -14.065 -53.063 -24.573 1.00 0.00 H +ATOM 3604 HE ARG A 242 -14.006 -52.216 -22.038 1.00 0.00 H +ATOM 3605 HH12 ARG A 242 -11.770 -55.568 -22.322 1.00 0.00 H +ATOM 3606 HH11 ARG A 242 -12.048 -54.567 -23.729 1.00 0.00 H +ATOM 3607 HH22 ARG A 242 -12.679 -54.935 -20.270 1.00 0.00 H +ATOM 3608 HH21 ARG A 242 -13.626 -53.467 -20.170 1.00 0.00 H +ATOM 3609 N TYR A 243 -10.146 -47.907 -23.683 1.00 47.71 N +ATOM 3610 CA TYR A 243 -9.477 -46.882 -22.881 1.00 50.26 C +ATOM 3611 C TYR A 243 -10.391 -45.686 -22.647 1.00 57.22 C +ATOM 3612 O TYR A 243 -11.175 -45.304 -23.521 1.00 67.97 O +ATOM 3613 CB TYR A 243 -8.212 -46.332 -23.549 1.00 57.57 C +ATOM 3614 CG TYR A 243 -7.062 -47.284 -23.670 1.00 51.85 C +ATOM 3615 CD1 TYR A 243 -6.254 -47.568 -22.580 1.00 53.10 C +ATOM 3616 CE1 TYR A 243 -5.188 -48.431 -22.692 1.00 52.23 C +ATOM 3617 CZ TYR A 243 -4.912 -48.997 -23.914 1.00 49.34 C +ATOM 3618 OH TYR A 243 -3.847 -49.842 -24.040 1.00 60.99 O +ATOM 3619 CE2 TYR A 243 -5.692 -48.718 -25.017 1.00 46.02 C +ATOM 3620 CD2 TYR A 243 -6.755 -47.863 -24.888 1.00 45.49 C +ATOM 3621 H TYR A 243 -10.697 -47.586 -24.466 1.00 0.00 H +ATOM 3622 HA TYR A 243 -9.207 -47.312 -21.916 1.00 0.00 H +ATOM 3623 HB3 TYR A 243 -7.884 -45.438 -23.018 1.00 0.00 H +ATOM 3624 HB2 TYR A 243 -8.465 -45.947 -24.537 1.00 0.00 H +ATOM 3625 HD1 TYR A 243 -6.457 -47.109 -21.623 1.00 0.00 H +ATOM 3626 HE1 TYR A 243 -4.582 -48.655 -21.827 1.00 0.00 H +ATOM 3627 HH TYR A 243 -3.589 -49.896 -24.963 1.00 0.00 H +ATOM 3628 HE2 TYR A 243 -5.462 -49.172 -25.970 1.00 0.00 H +ATOM 3629 HD2 TYR A 243 -7.357 -47.644 -25.757 1.00 0.00 H +ATOM 3630 N SER A 244 -10.246 -45.067 -21.476 1.00 61.08 N +ATOM 3631 CA SER A 244 -10.809 -43.746 -21.193 1.00 55.90 C +ATOM 3632 C SER A 244 -9.687 -42.719 -21.119 1.00 53.76 C +ATOM 3633 O SER A 244 -8.784 -42.846 -20.288 1.00 55.97 O +ATOM 3634 CB SER A 244 -11.581 -43.728 -19.879 1.00 49.20 C +ATOM 3635 OG SER A 244 -12.850 -44.344 -20.019 1.00 55.57 O +ATOM 3636 H SER A 244 -9.727 -45.510 -20.732 1.00 0.00 H +ATOM 3637 HA SER A 244 -11.485 -43.471 -22.002 1.00 0.00 H +ATOM 3638 HB3 SER A 244 -11.712 -42.697 -19.549 1.00 0.00 H +ATOM 3639 HB2 SER A 244 -11.007 -44.250 -19.114 1.00 0.00 H +ATOM 3640 HG SER A 244 -12.735 -45.257 -20.293 1.00 0.00 H +ATOM 3641 N PHE A 245 -9.760 -41.696 -21.967 1.00 45.59 N +ATOM 3642 CA PHE A 245 -8.833 -40.583 -21.906 1.00 45.13 C +ATOM 3643 C PHE A 245 -9.629 -39.305 -21.731 1.00 46.21 C +ATOM 3644 O PHE A 245 -10.726 -39.166 -22.276 1.00 50.03 O +ATOM 3645 CB PHE A 245 -7.920 -40.510 -23.157 1.00 40.45 C +ATOM 3646 CG PHE A 245 -8.654 -40.264 -24.448 1.00 40.81 C +ATOM 3647 CD1 PHE A 245 -8.866 -38.968 -24.912 1.00 56.71 C +ATOM 3648 CE1 PHE A 245 -9.530 -38.732 -26.121 1.00 56.02 C +ATOM 3649 CZ PHE A 245 -9.979 -39.803 -26.882 1.00 49.24 C +ATOM 3650 CE2 PHE A 245 -9.761 -41.101 -26.423 1.00 52.79 C +ATOM 3651 CD2 PHE A 245 -9.095 -41.322 -25.220 1.00 38.65 C +ATOM 3652 H PHE A 245 -10.476 -41.680 -22.679 1.00 0.00 H +ATOM 3653 HA PHE A 245 -8.200 -40.714 -21.028 1.00 0.00 H +ATOM 3654 HB3 PHE A 245 -7.345 -41.432 -23.239 1.00 0.00 H +ATOM 3655 HB2 PHE A 245 -7.172 -39.731 -23.013 1.00 0.00 H +ATOM 3656 HD1 PHE A 245 -8.516 -38.124 -24.336 1.00 0.00 H +ATOM 3657 HE1 PHE A 245 -9.692 -37.719 -26.459 1.00 0.00 H +ATOM 3658 HZ PHE A 245 -10.490 -39.625 -27.817 1.00 0.00 H +ATOM 3659 HE2 PHE A 245 -10.109 -41.944 -27.001 1.00 0.00 H +ATOM 3660 HD2 PHE A 245 -8.925 -42.337 -24.893 1.00 0.00 H +ATOM 3661 N VAL A 246 -9.105 -38.396 -20.930 1.00 46.47 N +ATOM 3662 CA VAL A 246 -9.715 -37.084 -20.787 1.00 47.50 C +ATOM 3663 C VAL A 246 -9.101 -36.160 -21.825 1.00 49.65 C +ATOM 3664 O VAL A 246 -7.884 -36.167 -22.035 1.00 48.77 O +ATOM 3665 CB VAL A 246 -9.530 -36.524 -19.369 1.00 48.59 C +ATOM 3666 CG1 VAL A 246 -10.041 -35.072 -19.316 1.00 47.35 C +ATOM 3667 CG2 VAL A 246 -10.262 -37.398 -18.361 1.00 38.77 C +ATOM 3668 H VAL A 246 -8.268 -38.607 -20.405 1.00 0.00 H +ATOM 3669 HA VAL A 246 -10.782 -37.173 -20.989 1.00 0.00 H +ATOM 3670 HB VAL A 246 -8.467 -36.529 -19.128 1.00 0.00 H +ATOM 3671 HG11 VAL A 246 -9.909 -34.676 -18.309 1.00 0.00 H +ATOM 3672 HG12 VAL A 246 -9.478 -34.462 -20.022 1.00 0.00 H +ATOM 3673 HG13 VAL A 246 -11.098 -35.049 -19.579 1.00 0.00 H +ATOM 3674 HG21 VAL A 246 -10.124 -36.992 -17.359 1.00 0.00 H +ATOM 3675 HG22 VAL A 246 -11.325 -37.418 -18.601 1.00 0.00 H +ATOM 3676 HG23 VAL A 246 -9.862 -38.411 -18.400 1.00 0.00 H +ATOM 3677 N LEU A 247 -9.948 -35.396 -22.498 1.00 49.45 N +ATOM 3678 CA LEU A 247 -9.529 -34.426 -23.491 1.00 49.05 C +ATOM 3679 C LEU A 247 -9.938 -33.059 -22.982 1.00 41.39 C +ATOM 3680 O LEU A 247 -11.084 -32.860 -22.567 1.00 53.98 O +ATOM 3681 CB LEU A 247 -10.162 -34.721 -24.852 1.00 47.61 C +ATOM 3682 CG LEU A 247 -9.924 -33.720 -25.976 1.00 49.78 C +ATOM 3683 CD1 LEU A 247 -9.445 -34.463 -27.197 1.00 45.97 C +ATOM 3684 CD2 LEU A 247 -11.202 -32.948 -26.295 1.00 45.97 C +ATOM 3685 H LEU A 247 -10.941 -35.473 -22.330 1.00 0.00 H +ATOM 3686 HA LEU A 247 -8.444 -34.461 -23.587 1.00 0.00 H +ATOM 3687 HB3 LEU A 247 -11.235 -34.866 -24.724 1.00 0.00 H +ATOM 3688 HB2 LEU A 247 -9.851 -35.712 -25.184 1.00 0.00 H +ATOM 3689 HG LEU A 247 -9.153 -33.015 -25.665 1.00 0.00 H +ATOM 3690 HD11 LEU A 247 -9.271 -33.756 -28.008 1.00 0.00 H +ATOM 3691 HD12 LEU A 247 -8.516 -34.984 -26.965 1.00 0.00 H +ATOM 3692 HD13 LEU A 247 -10.201 -35.187 -27.502 1.00 0.00 H +ATOM 3693 HD21 LEU A 247 -11.008 -32.240 -27.100 1.00 0.00 H +ATOM 3694 HD22 LEU A 247 -11.980 -33.645 -26.605 1.00 0.00 H +ATOM 3695 HD23 LEU A 247 -11.532 -32.407 -25.408 1.00 0.00 H +ATOM 3696 N ASN A 248 -8.984 -32.156 -22.933 1.00 59.84 N +ATOM 3697 CA ASN A 248 -9.206 -30.786 -22.499 1.00 54.10 C +ATOM 3698 C ASN A 248 -9.421 -30.003 -23.786 1.00 50.80 C +ATOM 3699 O ASN A 248 -8.478 -29.786 -24.544 1.00 46.92 O +ATOM 3700 CB ASN A 248 -8.004 -30.297 -21.692 1.00 50.88 C +ATOM 3701 CG ASN A 248 -8.263 -28.992 -20.970 1.00 70.12 C +ATOM 3702 OD1 ASN A 248 -9.393 -28.508 -20.913 1.00 75.60 O +ATOM 3703 ND2 ASN A 248 -7.205 -28.415 -20.403 1.00 79.88 N +ATOM 3704 H ASN A 248 -8.043 -32.401 -23.205 1.00 0.00 H +ATOM 3705 HA ASN A 248 -10.105 -30.737 -21.885 1.00 0.00 H +ATOM 3706 HB3 ASN A 248 -7.146 -30.180 -22.355 1.00 0.00 H +ATOM 3707 HB2 ASN A 248 -7.719 -31.061 -20.968 1.00 0.00 H +ATOM 3708 HD22 ASN A 248 -7.312 -27.542 -19.906 1.00 0.00 H +ATOM 3709 HD21 ASN A 248 -6.296 -28.850 -20.470 1.00 0.00 H +ATOM 3710 N ALA A 249 -10.672 -29.631 -24.073 1.00 56.62 N +ATOM 3711 CA ALA A 249 -10.988 -28.926 -25.321 1.00 49.77 C +ATOM 3712 C ALA A 249 -10.588 -27.458 -25.186 1.00 54.59 C +ATOM 3713 O ALA A 249 -11.417 -26.558 -25.034 1.00 51.90 O +ATOM 3714 CB ALA A 249 -12.464 -29.060 -25.664 1.00 40.78 C +ATOM 3715 H ALA A 249 -11.420 -29.834 -23.426 1.00 0.00 H +ATOM 3716 HA ALA A 249 -10.404 -29.371 -26.127 1.00 0.00 H +ATOM 3717 HB1 ALA A 249 -12.671 -28.529 -26.593 1.00 0.00 H +ATOM 3718 HB2 ALA A 249 -12.715 -30.114 -25.785 1.00 0.00 H +ATOM 3719 HB3 ALA A 249 -13.064 -28.634 -24.860 1.00 0.00 H +ATOM 3720 N ASP A 250 -9.276 -27.222 -25.247 1.00 53.33 N +ATOM 3721 CA ASP A 250 -8.731 -25.907 -24.924 1.00 59.67 C +ATOM 3722 C ASP A 250 -7.985 -25.280 -26.092 1.00 62.99 C +ATOM 3723 O ASP A 250 -7.244 -24.311 -25.900 1.00 57.61 O +ATOM 3724 CB ASP A 250 -7.837 -25.973 -23.678 1.00 58.37 C +ATOM 3725 CG ASP A 250 -6.598 -26.851 -23.853 1.00 69.90 C +ATOM 3726 OD1 ASP A 250 -6.434 -27.547 -24.877 1.00 64.17 O +ATOM 3727 OD2 ASP A 250 -5.774 -26.852 -22.915 1.00 87.41 O1- +ATOM 3728 H ASP A 250 -8.642 -27.960 -25.520 1.00 0.00 H +ATOM 3729 HA ASP A 250 -9.572 -25.255 -24.687 1.00 0.00 H +ATOM 3730 HB3 ASP A 250 -8.421 -26.337 -22.833 1.00 0.00 H +ATOM 3731 HB2 ASP A 250 -7.529 -24.965 -23.400 1.00 0.00 H +ATOM 3732 N GLN A 251 -8.184 -25.801 -27.300 1.00 56.91 N +ATOM 3733 CA GLN A 251 -7.565 -25.257 -28.495 1.00 52.63 C +ATOM 3734 C GLN A 251 -8.493 -24.232 -29.122 1.00 48.55 C +ATOM 3735 O GLN A 251 -9.562 -23.922 -28.596 1.00 60.60 O +ATOM 3736 CB GLN A 251 -7.242 -26.378 -29.479 1.00 56.31 C +ATOM 3737 CG GLN A 251 -6.244 -27.368 -28.928 1.00 53.49 C +ATOM 3738 CD GLN A 251 -4.985 -26.673 -28.466 1.00 52.22 C +ATOM 3739 OE1 GLN A 251 -4.248 -26.113 -29.277 1.00 49.76 O +ATOM 3740 NE2 GLN A 251 -4.735 -26.695 -27.159 1.00 51.06 N +ATOM 3741 H GLN A 251 -8.785 -26.605 -27.410 1.00 0.00 H +ATOM 3742 HA GLN A 251 -6.636 -24.761 -28.213 1.00 0.00 H +ATOM 3743 HB3 GLN A 251 -6.854 -25.949 -30.403 1.00 0.00 H +ATOM 3744 HB2 GLN A 251 -8.160 -26.900 -29.747 1.00 0.00 H +ATOM 3745 HG3 GLN A 251 -5.994 -28.098 -29.698 1.00 0.00 H +ATOM 3746 HG2 GLN A 251 -6.690 -27.905 -28.091 1.00 0.00 H +ATOM 3747 HE22 GLN A 251 -3.907 -26.246 -26.796 1.00 0.00 H +ATOM 3748 HE21 GLN A 251 -5.374 -27.161 -26.530 1.00 0.00 H +ATOM 3749 N ASP A 252 -8.096 -23.711 -30.276 1.00 58.71 N +ATOM 3750 CA ASP A 252 -8.953 -22.782 -30.994 1.00 67.21 C +ATOM 3751 C ASP A 252 -10.245 -23.475 -31.445 1.00 64.44 C +ATOM 3752 O ASP A 252 -10.269 -24.682 -31.711 1.00 55.51 O +ATOM 3753 CB ASP A 252 -8.192 -22.204 -32.191 1.00 84.40 C +ATOM 3754 CG ASP A 252 -8.986 -21.152 -32.939 1.00 5.78 C +ATOM 3755 OD1 ASP A 252 -9.154 -20.036 -32.397 1.00 12.19 O +ATOM 3756 OD2 ASP A 252 -9.439 -21.435 -34.075 1.00 13.14 O1- +ATOM 3757 H ASP A 252 -7.195 -23.960 -30.659 1.00 0.00 H +ATOM 3758 HA ASP A 252 -9.215 -21.964 -30.323 1.00 0.00 H +ATOM 3759 HB3 ASP A 252 -7.925 -23.010 -32.874 1.00 0.00 H +ATOM 3760 HB2 ASP A 252 -7.252 -21.772 -31.848 1.00 0.00 H +ATOM 3761 N VAL A 253 -11.340 -22.706 -31.482 1.00 59.11 N +ATOM 3762 CA VAL A 253 -12.580 -23.170 -32.095 1.00 50.67 C +ATOM 3763 C VAL A 253 -12.269 -23.541 -33.538 1.00 60.42 C +ATOM 3764 O VAL A 253 -11.976 -22.660 -34.356 1.00 53.20 O +ATOM 3765 CB VAL A 253 -13.694 -22.102 -32.066 1.00 49.42 C +ATOM 3766 CG1 VAL A 253 -14.891 -22.593 -32.886 1.00 43.32 C +ATOM 3767 CG2 VAL A 253 -14.112 -21.762 -30.633 1.00 44.98 C +ATOM 3768 H VAL A 253 -11.321 -21.780 -31.079 1.00 0.00 H +ATOM 3769 HA VAL A 253 -12.926 -24.058 -31.567 1.00 0.00 H +ATOM 3770 HB VAL A 253 -13.309 -21.195 -32.533 1.00 0.00 H +ATOM 3771 HG11 VAL A 253 -15.679 -21.840 -32.867 1.00 0.00 H +ATOM 3772 HG12 VAL A 253 -14.580 -22.766 -33.916 1.00 0.00 H +ATOM 3773 HG13 VAL A 253 -15.267 -23.523 -32.460 1.00 0.00 H +ATOM 3774 HG21 VAL A 253 -14.898 -21.007 -30.653 1.00 0.00 H +ATOM 3775 HG22 VAL A 253 -14.484 -22.660 -30.140 1.00 0.00 H +ATOM 3776 HG23 VAL A 253 -13.252 -21.377 -30.085 1.00 0.00 H +ATOM 3777 N ASP A 254 -12.332 -24.827 -33.868 1.00 53.88 N +ATOM 3778 CA ASP A 254 -12.076 -25.251 -35.242 1.00 52.38 C +ATOM 3779 C ASP A 254 -12.453 -26.721 -35.388 1.00 57.82 C +ATOM 3780 O ASP A 254 -12.991 -27.345 -34.465 1.00 57.12 O +ATOM 3781 CB ASP A 254 -10.617 -25.030 -35.640 1.00 52.32 C +ATOM 3782 CG ASP A 254 -10.454 -24.859 -37.123 1.00 59.95 C +ATOM 3783 OD1 ASP A 254 -11.385 -25.259 -37.853 1.00 64.42 O +ATOM 3784 OD2 ASP A 254 -9.409 -24.333 -37.557 1.00 66.23 O1- +ATOM 3785 H ASP A 254 -12.558 -25.518 -33.167 1.00 0.00 H +ATOM 3786 HA ASP A 254 -12.709 -24.664 -35.908 1.00 0.00 H +ATOM 3787 HB3 ASP A 254 -10.018 -25.876 -35.305 1.00 0.00 H +ATOM 3788 HB2 ASP A 254 -10.231 -24.148 -35.129 1.00 0.00 H +ATOM 3789 N ASN A 255 -12.162 -27.263 -36.573 1.00 48.49 N +ATOM 3790 CA ASN A 255 -12.312 -28.682 -36.868 1.00 55.73 C +ATOM 3791 C ASN A 255 -10.948 -29.358 -36.773 1.00 56.87 C +ATOM 3792 O ASN A 255 -9.957 -28.839 -37.299 1.00 56.49 O +ATOM 3793 CB ASN A 255 -12.903 -28.883 -38.266 1.00 50.85 C +ATOM 3794 CG ASN A 255 -14.326 -28.347 -38.382 1.00 51.01 C +ATOM 3795 OD1 ASN A 255 -15.239 -28.951 -37.639 1.00 51.97 O +ATOM 3796 ND2 ASN A 255 -14.595 -27.395 -39.121 1.00 48.38 N +ATOM 3797 H ASN A 255 -11.818 -26.681 -37.323 1.00 0.00 H +ATOM 3798 HA ASN A 255 -12.981 -29.128 -36.132 1.00 0.00 H +ATOM 3799 HB3 ASN A 255 -12.894 -29.944 -38.514 1.00 0.00 H +ATOM 3800 HB2 ASN A 255 -12.269 -28.389 -39.002 1.00 0.00 H +ATOM 3801 HD22 ASN A 255 -15.544 -27.056 -39.183 1.00 0.00 H +ATOM 3802 HD21 ASN A 255 -13.866 -26.955 -39.664 1.00 0.00 H +ATOM 3803 N TYR A 256 -10.891 -30.510 -36.104 1.00 41.09 N +ATOM 3804 CA TYR A 256 -9.633 -31.246 -36.005 1.00 40.93 C +ATOM 3805 C TYR A 256 -9.825 -32.692 -36.449 1.00 49.72 C +ATOM 3806 O TYR A 256 -10.774 -33.365 -36.019 1.00 43.77 O +ATOM 3807 CB TYR A 256 -9.086 -31.194 -34.583 1.00 39.70 C +ATOM 3808 CG TYR A 256 -8.774 -29.792 -34.109 1.00 44.61 C +ATOM 3809 CD1 TYR A 256 -9.790 -28.936 -33.677 1.00 46.51 C +ATOM 3810 CE1 TYR A 256 -9.503 -27.650 -33.236 1.00 54.05 C +ATOM 3811 CZ TYR A 256 -8.172 -27.211 -33.214 1.00 51.95 C +ATOM 3812 OH TYR A 256 -7.871 -25.943 -32.780 1.00 59.56 O +ATOM 3813 CE2 TYR A 256 -7.147 -28.043 -33.632 1.00 44.05 C +ATOM 3814 CD2 TYR A 256 -7.447 -29.326 -34.071 1.00 45.90 C +ATOM 3815 H TYR A 256 -11.721 -30.879 -35.662 1.00 0.00 H +ATOM 3816 HA TYR A 256 -8.907 -30.776 -36.669 1.00 0.00 H +ATOM 3817 HB3 TYR A 256 -8.186 -31.806 -34.519 1.00 0.00 H +ATOM 3818 HB2 TYR A 256 -9.802 -31.655 -33.903 1.00 0.00 H +ATOM 3819 HD1 TYR A 256 -10.817 -29.271 -33.683 1.00 0.00 H +ATOM 3820 HE1 TYR A 256 -10.302 -26.999 -32.914 1.00 0.00 H +ATOM 3821 HH TYR A 256 -8.662 -25.529 -32.428 1.00 0.00 H +ATOM 3822 HE2 TYR A 256 -6.126 -27.692 -33.615 1.00 0.00 H +ATOM 3823 HD2 TYR A 256 -6.639 -29.970 -34.387 1.00 0.00 H +ATOM 3824 N TRP A 257 -8.918 -33.169 -37.303 1.00 55.12 N +ATOM 3825 CA TRP A 257 -8.918 -34.576 -37.677 1.00 56.28 C +ATOM 3826 C TRP A 257 -8.742 -35.464 -36.450 1.00 62.28 C +ATOM 3827 O TRP A 257 -7.762 -35.338 -35.707 1.00 61.22 O +ATOM 3828 CB TRP A 257 -7.811 -34.875 -38.692 1.00 59.28 C +ATOM 3829 CG TRP A 257 -8.069 -34.371 -40.084 1.00 54.61 C +ATOM 3830 CD1 TRP A 257 -7.308 -33.473 -40.785 1.00 49.34 C +ATOM 3831 NE1 TRP A 257 -7.861 -33.252 -42.026 1.00 62.49 N +ATOM 3832 CE2 TRP A 257 -9.000 -34.007 -42.147 1.00 57.04 C +ATOM 3833 CD2 TRP A 257 -9.160 -34.729 -40.941 1.00 54.81 C +ATOM 3834 CE3 TRP A 257 -10.262 -35.580 -40.807 1.00 58.47 C +ATOM 3835 CZ3 TRP A 257 -11.160 -35.681 -41.865 1.00 58.34 C +ATOM 3836 CH2 TRP A 257 -10.969 -34.954 -43.053 1.00 61.32 C +ATOM 3837 CZ2 TRP A 257 -9.898 -34.117 -43.212 1.00 48.04 C +ATOM 3838 H TRP A 257 -8.222 -32.552 -37.697 1.00 0.00 H +ATOM 3839 HA TRP A 257 -9.878 -34.810 -38.136 1.00 0.00 H +ATOM 3840 HB3 TRP A 257 -7.633 -35.950 -38.725 1.00 0.00 H +ATOM 3841 HB2 TRP A 257 -6.869 -34.465 -38.329 1.00 0.00 H +ATOM 3842 HD1 TRP A 257 -6.418 -33.055 -40.338 1.00 0.00 H +ATOM 3843 HE1 TRP A 257 -7.417 -32.614 -42.670 1.00 0.00 H +ATOM 3844 HE3 TRP A 257 -10.402 -36.142 -39.896 1.00 0.00 H +ATOM 3845 HZ3 TRP A 257 -12.022 -36.326 -41.782 1.00 0.00 H +ATOM 3846 HH2 TRP A 257 -11.676 -35.050 -43.864 1.00 0.00 H +ATOM 3847 HZ2 TRP A 257 -9.733 -33.553 -44.118 1.00 0.00 H +ATOM 3848 N ILE A 258 -9.706 -36.351 -36.243 1.00 53.80 N +ATOM 3849 CA ILE A 258 -9.519 -37.560 -35.455 1.00 39.34 C +ATOM 3850 C ILE A 258 -9.020 -38.645 -36.404 1.00 48.51 C +ATOM 3851 O ILE A 258 -9.640 -38.896 -37.443 1.00 48.06 O +ATOM 3852 CB ILE A 258 -10.842 -37.978 -34.791 1.00 47.59 C +ATOM 3853 CG1 ILE A 258 -11.282 -36.947 -33.734 1.00 41.99 C +ATOM 3854 CD1 ILE A 258 -12.833 -36.986 -33.427 1.00 41.37 C +ATOM 3855 CG2 ILE A 258 -10.756 -39.432 -34.260 1.00 39.71 C +ATOM 3856 H ILE A 258 -10.622 -36.203 -36.641 1.00 0.00 H +ATOM 3857 HA ILE A 258 -8.769 -37.379 -34.685 1.00 0.00 H +ATOM 3858 HB ILE A 258 -11.602 -37.972 -35.572 1.00 0.00 H +ATOM 3859 HG13 ILE A 258 -11.004 -35.947 -34.066 1.00 0.00 H +ATOM 3860 HG12 ILE A 258 -10.726 -37.115 -32.811 1.00 0.00 H +ATOM 3861 HD11 ILE A 258 -13.074 -36.235 -32.675 1.00 0.00 H +ATOM 3862 HD12 ILE A 258 -13.390 -36.777 -34.340 1.00 0.00 H +ATOM 3863 HD13 ILE A 258 -13.105 -37.973 -33.054 1.00 0.00 H +ATOM 3864 HG21 ILE A 258 -11.703 -39.706 -33.795 1.00 0.00 H +ATOM 3865 HG22 ILE A 258 -10.549 -40.110 -35.088 1.00 0.00 H +ATOM 3866 HG23 ILE A 258 -9.956 -39.504 -33.524 1.00 0.00 H +ATOM 3867 N ARG A 259 -7.903 -39.289 -36.067 1.00 47.10 N +ATOM 3868 CA ARG A 259 -7.332 -40.308 -36.939 1.00 51.58 C +ATOM 3869 C ARG A 259 -7.264 -41.662 -36.245 1.00 53.34 C +ATOM 3870 O ARG A 259 -7.052 -41.736 -35.033 1.00 50.09 O +ATOM 3871 CB ARG A 259 -5.931 -39.901 -37.443 1.00 44.95 C +ATOM 3872 CG ARG A 259 -5.723 -38.391 -37.603 1.00 49.26 C +ATOM 3873 CD ARG A 259 -4.404 -38.099 -38.333 1.00 54.50 C +ATOM 3874 NE ARG A 259 -4.206 -36.679 -38.613 1.00 51.54 N +ATOM 3875 CZ ARG A 259 -4.396 -36.095 -39.796 1.00 48.31 C +ATOM 3876 NH1 ARG A 259 -4.798 -36.811 -40.830 1.00 43.44 N +ATOM 3877 NH2 ARG A 259 -4.172 -34.793 -39.935 1.00 47.73 N1+ +ATOM 3878 H ARG A 259 -7.439 -39.074 -35.196 1.00 0.00 H +ATOM 3879 HA ARG A 259 -7.984 -40.409 -37.807 1.00 0.00 H +ATOM 3880 HB3 ARG A 259 -5.732 -40.395 -38.394 1.00 0.00 H +ATOM 3881 HB2 ARG A 259 -5.174 -40.300 -36.767 1.00 0.00 H +ATOM 3882 HG3 ARG A 259 -5.705 -37.921 -36.620 1.00 0.00 H +ATOM 3883 HG2 ARG A 259 -6.553 -37.968 -38.170 1.00 0.00 H +ATOM 3884 HD3 ARG A 259 -4.376 -38.660 -39.267 1.00 0.00 H +ATOM 3885 HD2 ARG A 259 -3.570 -38.470 -37.737 1.00 0.00 H +ATOM 3886 HE ARG A 259 -3.901 -36.130 -37.822 1.00 0.00 H +ATOM 3887 HH12 ARG A 259 -4.942 -36.368 -41.726 1.00 0.00 H +ATOM 3888 HH11 ARG A 259 -4.962 -37.802 -40.725 1.00 0.00 H +ATOM 3889 HH22 ARG A 259 -4.315 -34.349 -40.831 1.00 0.00 H +ATOM 3890 HH21 ARG A 259 -3.858 -34.247 -39.145 1.00 0.00 H +ATOM 3891 N ALA A 260 -7.439 -42.742 -37.042 1.00 43.21 N +ATOM 3892 CA ALA A 260 -7.414 -44.121 -36.517 1.00 48.08 C +ATOM 3893 C ALA A 260 -6.839 -45.035 -37.604 1.00 49.80 C +ATOM 3894 O ALA A 260 -7.564 -45.532 -38.473 1.00 50.37 O +ATOM 3895 CB ALA A 260 -8.794 -44.588 -36.077 1.00 44.59 C +ATOM 3896 H ALA A 260 -7.593 -42.619 -38.033 1.00 0.00 H +ATOM 3897 HA ALA A 260 -6.749 -44.150 -35.654 1.00 0.00 H +ATOM 3898 HB1 ALA A 260 -8.729 -45.608 -35.698 1.00 0.00 H +ATOM 3899 HB2 ALA A 260 -9.167 -43.931 -35.291 1.00 0.00 H +ATOM 3900 HB3 ALA A 260 -9.476 -44.560 -36.927 1.00 0.00 H +ATOM 3901 N LEU A 261 -5.532 -45.262 -37.533 1.00 57.20 N +ATOM 3902 CA LEU A 261 -4.803 -45.842 -38.650 1.00 54.18 C +ATOM 3903 C LEU A 261 -4.560 -47.321 -38.395 1.00 53.41 C +ATOM 3904 O LEU A 261 -3.909 -47.668 -37.393 1.00 52.07 O +ATOM 3905 CB LEU A 261 -3.482 -45.105 -38.841 1.00 52.32 C +ATOM 3906 CG LEU A 261 -2.376 -45.766 -39.656 1.00 57.20 C +ATOM 3907 CD1 LEU A 261 -2.742 -45.782 -41.126 1.00 47.37 C +ATOM 3908 CD2 LEU A 261 -1.058 -45.029 -39.424 1.00 54.38 C +ATOM 3909 H LEU A 261 -5.024 -45.031 -36.691 1.00 0.00 H +ATOM 3910 HA LEU A 261 -5.400 -45.734 -39.555 1.00 0.00 H +ATOM 3911 HB3 LEU A 261 -3.086 -44.826 -37.865 1.00 0.00 H +ATOM 3912 HB2 LEU A 261 -3.683 -44.116 -39.252 1.00 0.00 H +ATOM 3913 HG LEU A 261 -2.264 -46.795 -39.314 1.00 0.00 H +ATOM 3914 HD11 LEU A 261 -1.942 -46.257 -41.694 1.00 0.00 H +ATOM 3915 HD12 LEU A 261 -3.668 -46.341 -41.265 1.00 0.00 H +ATOM 3916 HD13 LEU A 261 -2.879 -44.760 -41.478 1.00 0.00 H +ATOM 3917 HD21 LEU A 261 -0.269 -45.504 -40.007 1.00 0.00 H +ATOM 3918 HD22 LEU A 261 -1.163 -43.989 -39.734 1.00 0.00 H +ATOM 3919 HD23 LEU A 261 -0.800 -45.068 -38.366 1.00 0.00 H +ATOM 3920 N PRO A 262 -5.081 -48.219 -39.232 1.00 52.54 N +ATOM 3921 CA PRO A 262 -4.907 -49.655 -38.984 1.00 46.52 C +ATOM 3922 C PRO A 262 -3.497 -50.120 -39.341 1.00 46.87 C +ATOM 3923 O PRO A 262 -2.840 -49.561 -40.220 1.00 44.22 O +ATOM 3924 CB PRO A 262 -5.965 -50.301 -39.889 1.00 52.37 C +ATOM 3925 CG PRO A 262 -6.131 -49.323 -41.029 1.00 47.18 C +ATOM 3926 CD PRO A 262 -5.936 -47.955 -40.405 1.00 56.57 C +ATOM 3927 HA PRO A 262 -5.116 -49.884 -37.939 1.00 0.00 H +ATOM 3928 HB3 PRO A 262 -6.905 -50.383 -39.344 1.00 0.00 H +ATOM 3929 HB2 PRO A 262 -5.581 -51.245 -40.276 1.00 0.00 H +ATOM 3930 HG3 PRO A 262 -7.144 -49.398 -41.425 1.00 0.00 H +ATOM 3931 HG2 PRO A 262 -5.351 -49.497 -41.770 1.00 0.00 H +ATOM 3932 HD2 PRO A 262 -5.400 -47.313 -41.104 1.00 0.00 H +ATOM 3933 HD3 PRO A 262 -6.899 -47.571 -40.070 1.00 0.00 H +ATOM 3934 N ASP A 263 -3.037 -51.173 -38.673 1.00 42.75 N +ATOM 3935 CA ASP A 263 -1.755 -51.819 -38.933 1.00 43.52 C +ATOM 3936 C ASP A 263 -1.761 -52.560 -40.283 1.00 55.85 C +ATOM 3937 O ASP A 263 -0.686 -52.946 -40.751 1.00 66.53 O +ATOM 3938 CB ASP A 263 -1.413 -52.808 -37.787 1.00 0.00 C +ATOM 3939 CG ASP A 263 -2.373 -53.982 -37.559 1.00 0.00 C +ATOM 3940 OD1 ASP A 263 -3.580 -53.829 -37.846 1.00 0.00 O +ATOM 3941 OD2 ASP A 263 -1.889 -55.008 -37.036 1.00 0.00 O1- +ATOM 3942 H ASP A 263 -3.629 -51.657 -37.998 1.00 0.00 H +ATOM 3943 HA ASP A 263 -0.981 -51.051 -38.977 1.00 0.00 H +ATOM 3944 HB2 ASP A 263 -0.423 -53.224 -37.972 1.00 0.00 H +ATOM 3945 HB3 ASP A 263 -1.339 -52.263 -36.848 1.00 0.00 H +ATOM 3946 N SER A 264 -2.919 -52.725 -40.945 1.00 55.99 N +ATOM 3947 CA SER A 264 -3.013 -53.477 -42.180 1.00 57.81 C +ATOM 3948 C SER A 264 -3.977 -52.817 -43.158 1.00 60.17 C +ATOM 3949 O SER A 264 -4.876 -52.065 -42.775 1.00 61.05 O +ATOM 3950 CB SER A 264 -3.496 -54.907 -41.928 1.00 60.98 C +ATOM 3951 OG SER A 264 -4.913 -54.934 -41.864 1.00 63.99 O +ATOM 3952 H SER A 264 -3.782 -52.332 -40.567 1.00 0.00 H +ATOM 3953 HA SER A 264 -2.024 -53.518 -42.637 1.00 0.00 H +ATOM 3954 HB3 SER A 264 -3.083 -55.269 -40.986 1.00 0.00 H +ATOM 3955 HB2 SER A 264 -3.157 -55.553 -42.738 1.00 0.00 H +ATOM 3956 HG SER A 264 -5.278 -54.619 -42.694 1.00 0.00 H +ATOM 3957 N GLY A 265 -3.809 -53.153 -44.427 1.00 67.20 N +ATOM 3958 CA GLY A 265 -4.711 -52.639 -45.442 1.00 66.82 C +ATOM 3959 C GLY A 265 -4.302 -51.244 -45.835 1.00 64.72 C +ATOM 3960 O GLY A 265 -3.135 -50.999 -46.150 1.00 51.10 O +ATOM 3961 H GLY A 265 -3.052 -53.768 -44.691 1.00 0.00 H +ATOM 3962 HA3 GLY A 265 -5.728 -52.622 -45.049 1.00 0.00 H +ATOM 3963 HA2 GLY A 265 -4.679 -53.287 -46.318 1.00 0.00 H +ATOM 3964 N THR A 266 -5.265 -50.320 -45.790 1.00 62.95 N +ATOM 3965 CA THR A 266 -5.133 -48.946 -46.280 1.00 60.55 C +ATOM 3966 C THR A 266 -4.408 -48.090 -45.243 1.00 65.54 C +ATOM 3967 O THR A 266 -5.032 -47.458 -44.385 1.00 65.58 O +ATOM 3968 CB THR A 266 -6.515 -48.371 -46.579 1.00 60.62 C +ATOM 3969 OG1 THR A 266 -7.269 -49.300 -47.365 1.00 68.02 O +ATOM 3970 CG2 THR A 266 -6.401 -47.064 -47.331 1.00 61.21 C +ATOM 3971 H THR A 266 -6.166 -50.549 -45.395 1.00 0.00 H +ATOM 3972 HA THR A 266 -4.549 -48.955 -47.200 1.00 0.00 H +ATOM 3973 HB THR A 266 -7.038 -48.195 -45.639 1.00 0.00 H +ATOM 3974 HG1 THR A 266 -8.137 -48.933 -47.550 1.00 0.00 H +ATOM 3975 HG21 THR A 266 -7.398 -46.672 -47.533 1.00 0.00 H +ATOM 3976 HG22 THR A 266 -5.844 -46.345 -46.729 1.00 0.00 H +ATOM 3977 HG23 THR A 266 -5.879 -47.231 -48.273 1.00 0.00 H +ATOM 3978 N ALA A 267 -3.077 -48.023 -45.334 1.00 55.54 N +ATOM 3979 CA ALA A 267 -2.321 -47.388 -44.250 1.00 55.60 C +ATOM 3980 C ALA A 267 -2.058 -45.893 -44.466 1.00 65.36 C +ATOM 3981 O ALA A 267 -0.943 -45.423 -44.203 1.00 69.23 O +ATOM 3982 CB ALA A 267 -1.017 -48.147 -44.035 1.00 49.33 C +ATOM 3983 H ALA A 267 -2.606 -48.407 -46.141 1.00 0.00 H +ATOM 3984 HA ALA A 267 -2.911 -47.487 -43.339 1.00 0.00 H +ATOM 3985 HB1 ALA A 267 -0.452 -47.678 -43.230 1.00 0.00 H +ATOM 3986 HB2 ALA A 267 -1.237 -49.181 -43.769 1.00 0.00 H +ATOM 3987 HB3 ALA A 267 -0.428 -48.126 -44.952 1.00 0.00 H +ATOM 3988 N ASN A 268 -3.046 -45.102 -44.905 1.00 56.13 N +ATOM 3989 CA ASN A 268 -2.882 -43.652 -45.011 1.00 55.58 C +ATOM 3990 C ASN A 268 -4.181 -42.953 -44.615 1.00 59.81 C +ATOM 3991 O ASN A 268 -5.167 -43.600 -44.226 1.00 55.86 O +ATOM 3992 CB ASN A 268 -2.428 -43.238 -46.419 1.00 63.53 C +ATOM 3993 CG ASN A 268 -3.369 -43.714 -47.514 1.00 82.45 C +ATOM 3994 OD1 ASN A 268 -4.588 -43.543 -47.431 1.00 93.24 O +ATOM 3995 ND2 ASN A 268 -2.800 -44.306 -48.561 1.00 83.00 N +ATOM 3996 H ASN A 268 -3.933 -45.504 -45.173 1.00 0.00 H +ATOM 3997 HA ASN A 268 -2.108 -43.349 -44.306 1.00 0.00 H +ATOM 3998 HB3 ASN A 268 -1.428 -43.629 -46.606 1.00 0.00 H +ATOM 3999 HB2 ASN A 268 -2.338 -42.153 -46.466 1.00 0.00 H +ATOM 4000 HD22 ASN A 268 -3.371 -44.644 -49.322 1.00 0.00 H +ATOM 4001 HD21 ASN A 268 -1.797 -44.417 -48.595 1.00 0.00 H +ATOM 4002 N PHE A 269 -4.170 -41.610 -44.710 1.00 46.43 N +ATOM 4003 CA PHE A 269 -5.349 -40.775 -44.470 1.00 55.58 C +ATOM 4004 C PHE A 269 -5.828 -40.025 -45.722 1.00 56.10 C +ATOM 4005 O PHE A 269 -6.536 -39.016 -45.602 1.00 54.03 O +ATOM 4006 CB PHE A 269 -5.085 -39.768 -43.348 1.00 55.99 C +ATOM 4007 CG PHE A 269 -4.549 -40.384 -42.082 1.00 63.59 C +ATOM 4008 CD1 PHE A 269 -5.356 -41.179 -41.280 1.00 53.79 C +ATOM 4009 CE1 PHE A 269 -4.863 -41.727 -40.123 1.00 52.25 C +ATOM 4010 CZ PHE A 269 -3.550 -41.483 -39.740 1.00 52.05 C +ATOM 4011 CE2 PHE A 269 -2.748 -40.698 -40.515 1.00 47.49 C +ATOM 4012 CD2 PHE A 269 -3.245 -40.146 -41.682 1.00 51.42 C +ATOM 4013 H PHE A 269 -3.318 -41.128 -44.958 1.00 0.00 H +ATOM 4014 HA PHE A 269 -6.158 -41.429 -44.145 1.00 0.00 H +ATOM 4015 HB3 PHE A 269 -6.004 -39.226 -43.125 1.00 0.00 H +ATOM 4016 HB2 PHE A 269 -4.390 -39.007 -43.702 1.00 0.00 H +ATOM 4017 HD1 PHE A 269 -6.380 -41.370 -41.565 1.00 0.00 H +ATOM 4018 HE1 PHE A 269 -5.496 -42.349 -39.508 1.00 0.00 H +ATOM 4019 HZ PHE A 269 -3.164 -41.915 -38.828 1.00 0.00 H +ATOM 4020 HE2 PHE A 269 -1.727 -40.509 -40.217 1.00 0.00 H +ATOM 4021 HD2 PHE A 269 -2.601 -39.522 -42.284 1.00 0.00 H +ATOM 4022 N ASP A 270 -5.478 -40.491 -46.919 1.00 49.16 N +ATOM 4023 CA ASP A 270 -5.841 -39.764 -48.134 1.00 51.70 C +ATOM 4024 C ASP A 270 -7.356 -39.707 -48.304 1.00 62.05 C +ATOM 4025 O ASP A 270 -8.038 -40.737 -48.272 1.00 49.60 O +ATOM 4026 CB ASP A 270 -5.224 -40.426 -49.369 1.00 53.43 C +ATOM 4027 CG ASP A 270 -3.701 -40.355 -49.394 1.00 59.93 C +ATOM 4028 OD1 ASP A 270 -3.110 -41.077 -50.231 1.00 54.11 O +ATOM 4029 OD2 ASP A 270 -3.100 -39.574 -48.614 1.00 60.14 O1- +ATOM 4030 H ASP A 270 -4.957 -41.353 -46.993 1.00 0.00 H +ATOM 4031 HA ASP A 270 -5.460 -38.746 -48.058 1.00 0.00 H +ATOM 4032 HB3 ASP A 270 -5.623 -39.957 -50.268 1.00 0.00 H +ATOM 4033 HB2 ASP A 270 -5.538 -41.469 -49.416 1.00 0.00 H +ATOM 4034 N GLY A 271 -7.873 -38.500 -48.527 1.00 60.94 N +ATOM 4035 CA GLY A 271 -9.291 -38.337 -48.766 1.00 51.06 C +ATOM 4036 C GLY A 271 -10.156 -38.545 -47.547 1.00 47.59 C +ATOM 4037 O GLY A 271 -11.376 -38.666 -47.678 1.00 54.12 O +ATOM 4038 H GLY A 271 -7.274 -37.687 -48.530 1.00 0.00 H +ATOM 4039 HA3 GLY A 271 -9.606 -39.022 -49.553 1.00 0.00 H +ATOM 4040 HA2 GLY A 271 -9.476 -37.344 -49.175 1.00 0.00 H +ATOM 4041 N GLY A 272 -9.558 -38.605 -46.364 1.00 50.28 N +ATOM 4042 CA GLY A 272 -10.318 -38.801 -45.154 1.00 45.77 C +ATOM 4043 C GLY A 272 -10.709 -40.230 -44.863 1.00 46.44 C +ATOM 4044 O GLY A 272 -11.674 -40.449 -44.129 1.00 46.75 O +ATOM 4045 H GLY A 272 -8.554 -38.513 -46.300 1.00 0.00 H +ATOM 4046 HA3 GLY A 272 -11.214 -38.182 -45.187 1.00 0.00 H +ATOM 4047 HA2 GLY A 272 -9.758 -38.401 -44.308 1.00 0.00 H +ATOM 4048 N VAL A 273 -10.023 -41.217 -45.444 1.00 46.03 N +ATOM 4049 CA VAL A 273 -10.174 -42.580 -44.937 1.00 53.05 C +ATOM 4050 C VAL A 273 -9.495 -42.666 -43.570 1.00 56.27 C +ATOM 4051 O VAL A 273 -8.532 -41.947 -43.294 1.00 42.30 O +ATOM 4052 CB VAL A 273 -9.587 -43.609 -45.922 1.00 47.88 C +ATOM 4053 CG1 VAL A 273 -10.276 -43.507 -47.294 1.00 41.10 C +ATOM 4054 CG2 VAL A 273 -8.093 -43.413 -46.069 1.00 41.22 C +ATOM 4055 H VAL A 273 -9.411 -41.017 -46.222 1.00 0.00 H +ATOM 4056 HA VAL A 273 -11.237 -42.788 -44.810 1.00 0.00 H +ATOM 4057 HB VAL A 273 -9.765 -44.607 -45.522 1.00 0.00 H +ATOM 4058 HG11 VAL A 273 -9.845 -44.243 -47.973 1.00 0.00 H +ATOM 4059 HG12 VAL A 273 -11.343 -43.699 -47.180 1.00 0.00 H +ATOM 4060 HG13 VAL A 273 -10.128 -42.507 -47.702 1.00 0.00 H +ATOM 4061 HG21 VAL A 273 -7.697 -44.149 -46.769 1.00 0.00 H +ATOM 4062 HG22 VAL A 273 -7.893 -42.410 -46.446 1.00 0.00 H +ATOM 4063 HG23 VAL A 273 -7.612 -43.539 -45.099 1.00 0.00 H +ATOM 4064 N ASN A 274 -10.027 -43.522 -42.690 1.00 53.10 N +ATOM 4065 CA ASN A 274 -9.466 -43.765 -41.352 1.00 42.60 C +ATOM 4066 C ASN A 274 -9.565 -42.543 -40.437 1.00 57.51 C +ATOM 4067 O ASN A 274 -8.785 -42.412 -39.486 1.00 59.96 O +ATOM 4068 CB ASN A 274 -8.003 -44.232 -41.424 1.00 44.93 C +ATOM 4069 CG ASN A 274 -7.827 -45.531 -42.215 1.00 46.92 C +ATOM 4070 OD1 ASN A 274 -8.702 -46.394 -42.220 1.00 50.83 O +ATOM 4071 ND2 ASN A 274 -6.676 -45.676 -42.867 1.00 48.35 N +ATOM 4072 H ASN A 274 -10.858 -44.042 -42.931 1.00 0.00 H +ATOM 4073 HA ASN A 274 -10.045 -44.567 -40.893 1.00 0.00 H +ATOM 4074 HB3 ASN A 274 -7.616 -44.368 -40.414 1.00 0.00 H +ATOM 4075 HB2 ASN A 274 -7.395 -43.448 -41.875 1.00 0.00 H +ATOM 4076 HD22 ASN A 274 -6.503 -46.512 -43.406 1.00 0.00 H +ATOM 4077 HD21 ASN A 274 -5.976 -44.950 -42.823 1.00 0.00 H +ATOM 4078 N SER A 275 -10.524 -41.647 -40.685 1.00 47.36 N +ATOM 4079 CA SER A 275 -10.567 -40.370 -39.992 1.00 52.80 C +ATOM 4080 C SER A 275 -12.000 -40.010 -39.618 1.00 53.52 C +ATOM 4081 O SER A 275 -12.946 -40.433 -40.276 1.00 49.81 O +ATOM 4082 CB SER A 275 -9.959 -39.265 -40.866 1.00 55.48 C +ATOM 4083 OG SER A 275 -8.836 -39.757 -41.599 1.00 53.39 O +ATOM 4084 H SER A 275 -11.241 -41.850 -41.367 1.00 0.00 H +ATOM 4085 HA SER A 275 -9.980 -40.452 -39.077 1.00 0.00 H +ATOM 4086 HB3 SER A 275 -9.644 -38.434 -40.234 1.00 0.00 H +ATOM 4087 HB2 SER A 275 -10.713 -38.896 -41.561 1.00 0.00 H +ATOM 4088 HG SER A 275 -9.091 -40.544 -42.086 1.00 0.00 H +ATOM 4089 N ALA A 276 -12.143 -39.237 -38.537 1.00 50.90 N +ATOM 4090 CA ALA A 276 -13.402 -38.600 -38.140 1.00 47.41 C +ATOM 4091 C ALA A 276 -13.119 -37.148 -37.763 1.00 39.47 C +ATOM 4092 O ALA A 276 -12.021 -36.656 -38.029 1.00 43.56 O +ATOM 4093 CB ALA A 276 -14.064 -39.349 -36.982 1.00 53.40 C +ATOM 4094 H ALA A 276 -11.352 -39.061 -37.934 1.00 0.00 H +ATOM 4095 HA ALA A 276 -14.080 -38.611 -38.993 1.00 0.00 H +ATOM 4096 HB1 ALA A 276 -14.995 -38.851 -36.712 1.00 0.00 H +ATOM 4097 HB2 ALA A 276 -14.276 -40.374 -37.285 1.00 0.00 H +ATOM 4098 HB3 ALA A 276 -13.394 -39.356 -36.123 1.00 0.00 H +ATOM 4099 N ILE A 277 -14.076 -36.443 -37.159 1.00 44.00 N +ATOM 4100 CA ILE A 277 -13.960 -34.995 -36.977 1.00 49.57 C +ATOM 4101 C ILE A 277 -14.278 -34.600 -35.541 1.00 52.81 C +ATOM 4102 O ILE A 277 -15.416 -34.779 -35.086 1.00 52.53 O +ATOM 4103 CB ILE A 277 -14.883 -34.219 -37.927 1.00 50.19 C +ATOM 4104 CG1 ILE A 277 -14.495 -34.476 -39.387 1.00 63.16 C +ATOM 4105 CD1 ILE A 277 -15.403 -33.786 -40.388 1.00 57.97 C +ATOM 4106 CG2 ILE A 277 -14.847 -32.722 -37.565 1.00 44.04 C +ATOM 4107 H ILE A 277 -14.904 -36.907 -36.815 1.00 0.00 H +ATOM 4108 HA ILE A 277 -12.931 -34.706 -37.190 1.00 0.00 H +ATOM 4109 HB ILE A 277 -15.901 -34.579 -37.779 1.00 0.00 H +ATOM 4110 HG13 ILE A 277 -14.496 -35.549 -39.578 1.00 0.00 H +ATOM 4111 HG12 ILE A 277 -13.466 -34.154 -39.550 1.00 0.00 H +ATOM 4112 HD11 ILE A 277 -15.068 -34.013 -41.400 1.00 0.00 H +ATOM 4113 HD12 ILE A 277 -16.425 -34.140 -40.256 1.00 0.00 H +ATOM 4114 HD13 ILE A 277 -15.369 -32.708 -40.228 1.00 0.00 H +ATOM 4115 HG21 ILE A 277 -15.502 -32.169 -38.238 1.00 0.00 H +ATOM 4116 HG22 ILE A 277 -15.186 -32.588 -36.538 1.00 0.00 H +ATOM 4117 HG23 ILE A 277 -13.828 -32.349 -37.662 1.00 0.00 H +ATOM 4118 N LEU A 278 -13.298 -34.003 -34.851 1.00 47.20 N +ATOM 4119 CA LEU A 278 -13.559 -33.224 -33.637 1.00 45.76 C +ATOM 4120 C LEU A 278 -13.947 -31.805 -34.042 1.00 45.20 C +ATOM 4121 O LEU A 278 -13.138 -31.082 -34.632 1.00 48.29 O +ATOM 4122 CB LEU A 278 -12.342 -33.173 -32.708 1.00 41.40 C +ATOM 4123 CG LEU A 278 -12.661 -32.659 -31.301 1.00 52.76 C +ATOM 4124 CD1 LEU A 278 -13.395 -33.754 -30.515 1.00 45.70 C +ATOM 4125 CD2 LEU A 278 -11.410 -32.192 -30.549 1.00 50.70 C +ATOM 4126 H LEU A 278 -12.341 -34.081 -35.163 1.00 0.00 H +ATOM 4127 HA LEU A 278 -14.393 -33.677 -33.100 1.00 0.00 H +ATOM 4128 HB3 LEU A 278 -11.571 -32.546 -33.156 1.00 0.00 H +ATOM 4129 HB2 LEU A 278 -11.899 -34.166 -32.638 1.00 0.00 H +ATOM 4130 HG LEU A 278 -13.333 -31.806 -31.398 1.00 0.00 H +ATOM 4131 HD11 LEU A 278 -13.624 -33.391 -29.513 1.00 0.00 H +ATOM 4132 HD12 LEU A 278 -14.322 -34.011 -31.028 1.00 0.00 H +ATOM 4133 HD13 LEU A 278 -12.762 -34.638 -30.445 1.00 0.00 H +ATOM 4134 HD21 LEU A 278 -11.692 -31.838 -29.558 1.00 0.00 H +ATOM 4135 HD22 LEU A 278 -10.712 -33.024 -30.452 1.00 0.00 H +ATOM 4136 HD23 LEU A 278 -10.934 -31.382 -31.102 1.00 0.00 H +ATOM 4137 N ARG A 279 -15.174 -31.406 -33.722 1.00 53.90 N +ATOM 4138 CA ARG A 279 -15.713 -30.105 -34.109 1.00 47.13 C +ATOM 4139 C ARG A 279 -16.023 -29.288 -32.856 1.00 55.36 C +ATOM 4140 O ARG A 279 -16.908 -29.655 -32.075 1.00 68.44 O +ATOM 4141 CB ARG A 279 -16.960 -30.286 -34.976 1.00 47.10 C +ATOM 4142 CG ARG A 279 -17.650 -29.000 -35.406 1.00 54.93 C +ATOM 4143 CD ARG A 279 -18.633 -29.294 -36.534 1.00 45.96 C +ATOM 4144 NE ARG A 279 -17.844 -29.607 -37.720 1.00 48.94 N +ATOM 4145 CZ ARG A 279 -18.307 -30.209 -38.808 1.00 46.69 C +ATOM 4146 NH1 ARG A 279 -19.584 -30.559 -38.869 1.00 41.69 N +ATOM 4147 NH2 ARG A 279 -17.473 -30.454 -39.815 1.00 47.60 N1+ +ATOM 4148 H ARG A 279 -15.779 -32.013 -33.188 1.00 0.00 H +ATOM 4149 HA ARG A 279 -14.959 -29.576 -34.691 1.00 0.00 H +ATOM 4150 HB3 ARG A 279 -17.675 -30.920 -34.451 1.00 0.00 H +ATOM 4151 HB2 ARG A 279 -16.702 -30.869 -35.860 1.00 0.00 H +ATOM 4152 HG3 ARG A 279 -16.903 -28.286 -35.752 1.00 0.00 H +ATOM 4153 HG2 ARG A 279 -18.187 -28.575 -34.558 1.00 0.00 H +ATOM 4154 HD3 ARG A 279 -19.240 -28.409 -36.726 1.00 0.00 H +ATOM 4155 HD2 ARG A 279 -19.244 -30.156 -36.267 1.00 0.00 H +ATOM 4156 HE ARG A 279 -16.874 -29.328 -37.671 1.00 0.00 H +ATOM 4157 HH12 ARG A 279 -19.943 -31.018 -39.694 1.00 0.00 H +ATOM 4158 HH11 ARG A 279 -20.198 -30.367 -38.090 1.00 0.00 H +ATOM 4159 HH22 ARG A 279 -17.810 -30.911 -40.650 1.00 0.00 H +ATOM 4160 HH21 ARG A 279 -16.503 -30.183 -39.745 1.00 0.00 H +ATOM 4161 N TYR A 280 -15.296 -28.184 -32.667 1.00 51.05 N +ATOM 4162 CA TYR A 280 -15.645 -27.222 -31.624 1.00 51.11 C +ATOM 4163 C TYR A 280 -16.947 -26.517 -31.984 1.00 46.97 C +ATOM 4164 O TYR A 280 -17.171 -26.150 -33.141 1.00 55.00 O +ATOM 4165 CB TYR A 280 -14.523 -26.185 -31.431 1.00 44.78 C +ATOM 4166 CG TYR A 280 -13.349 -26.686 -30.612 1.00 49.27 C +ATOM 4167 CD1 TYR A 280 -12.473 -27.634 -31.129 1.00 53.09 C +ATOM 4168 CE1 TYR A 280 -11.398 -28.117 -30.382 1.00 50.53 C +ATOM 4169 CZ TYR A 280 -11.178 -27.643 -29.097 1.00 54.82 C +ATOM 4170 OH TYR A 280 -10.106 -28.135 -28.375 1.00 53.46 O +ATOM 4171 CE2 TYR A 280 -12.023 -26.687 -28.553 1.00 43.58 C +ATOM 4172 CD2 TYR A 280 -13.112 -26.214 -29.314 1.00 44.38 C +ATOM 4173 H TYR A 280 -14.491 -28.004 -33.250 1.00 0.00 H +ATOM 4174 HA TYR A 280 -15.787 -27.760 -30.687 1.00 0.00 H +ATOM 4175 HB3 TYR A 280 -14.934 -25.291 -30.963 1.00 0.00 H +ATOM 4176 HB2 TYR A 280 -14.167 -25.852 -32.406 1.00 0.00 H +ATOM 4177 HD1 TYR A 280 -12.617 -28.013 -32.130 1.00 0.00 H +ATOM 4178 HE1 TYR A 280 -10.737 -28.860 -30.804 1.00 0.00 H +ATOM 4179 HH TYR A 280 -9.688 -28.846 -28.866 1.00 0.00 H +ATOM 4180 HE2 TYR A 280 -11.844 -26.312 -27.556 1.00 0.00 H +ATOM 4181 HD2 TYR A 280 -13.769 -25.475 -28.880 1.00 0.00 H +ATOM 4182 N GLU A 281 -17.810 -26.331 -30.991 1.00 52.67 N +ATOM 4183 CA GLU A 281 -19.071 -25.633 -31.215 1.00 47.59 C +ATOM 4184 C GLU A 281 -18.805 -24.244 -31.769 1.00 45.37 C +ATOM 4185 O GLU A 281 -17.937 -23.525 -31.271 1.00 43.53 O +ATOM 4186 CB GLU A 281 -19.870 -25.529 -29.914 1.00 60.65 C +ATOM 4187 CG GLU A 281 -20.488 -26.829 -29.443 1.00 77.48 C +ATOM 4188 CD GLU A 281 -21.671 -26.603 -28.514 1.00 91.53 C +ATOM 4189 OE1 GLU A 281 -21.560 -25.750 -27.602 1.00 3.40 O +ATOM 4190 OE2 GLU A 281 -22.713 -27.271 -28.703 1.00 87.79 O1- +ATOM 4191 H GLU A 281 -17.597 -26.675 -30.066 1.00 0.00 H +ATOM 4192 HA GLU A 281 -19.658 -26.194 -31.943 1.00 0.00 H +ATOM 4193 HB3 GLU A 281 -20.652 -24.779 -30.030 1.00 0.00 H +ATOM 4194 HB2 GLU A 281 -19.229 -25.129 -29.128 1.00 0.00 H +ATOM 4195 HG3 GLU A 281 -19.733 -27.424 -28.930 1.00 0.00 H +ATOM 4196 HG2 GLU A 281 -20.811 -27.410 -30.306 1.00 0.00 H +ATOM 4197 N GLY A 282 -19.560 -23.866 -32.806 1.00 47.75 N +ATOM 4198 CA GLY A 282 -19.276 -22.677 -33.576 1.00 44.27 C +ATOM 4199 C GLY A 282 -18.363 -22.880 -34.777 1.00 44.73 C +ATOM 4200 O GLY A 282 -18.361 -22.036 -35.682 1.00 48.61 O +ATOM 4201 H GLY A 282 -20.361 -24.419 -33.075 1.00 0.00 H +ATOM 4202 HA3 GLY A 282 -18.847 -21.918 -32.922 1.00 0.00 H +ATOM 4203 HA2 GLY A 282 -20.213 -22.230 -33.908 1.00 0.00 H +ATOM 4204 N ALA A 283 -17.581 -23.958 -34.821 1.00 43.86 N +ATOM 4205 CA ALA A 283 -16.745 -24.199 -35.997 1.00 46.39 C +ATOM 4206 C ALA A 283 -17.608 -24.565 -37.206 1.00 48.52 C +ATOM 4207 O ALA A 283 -18.683 -25.154 -37.073 1.00 54.77 O +ATOM 4208 CB ALA A 283 -15.724 -25.310 -35.728 1.00 41.13 C +ATOM 4209 H ALA A 283 -17.567 -24.604 -34.045 1.00 0.00 H +ATOM 4210 HA ALA A 283 -16.203 -23.282 -36.227 1.00 0.00 H +ATOM 4211 HB1 ALA A 283 -15.116 -25.469 -36.619 1.00 0.00 H +ATOM 4212 HB2 ALA A 283 -15.081 -25.020 -34.897 1.00 0.00 H +ATOM 4213 HB3 ALA A 283 -16.248 -26.232 -35.477 1.00 0.00 H +ATOM 4214 N ALA A 284 -17.114 -24.221 -38.396 1.00 50.67 N +ATOM 4215 CA ALA A 284 -17.887 -24.393 -39.615 1.00 46.32 C +ATOM 4216 C ALA A 284 -18.120 -25.872 -39.922 1.00 49.47 C +ATOM 4217 O ALA A 284 -17.335 -26.734 -39.521 1.00 41.47 O +ATOM 4218 CB ALA A 284 -17.177 -23.748 -40.801 1.00 48.03 C +ATOM 4219 H ALA A 284 -16.184 -23.832 -38.464 1.00 0.00 H +ATOM 4220 HA ALA A 284 -18.855 -23.909 -39.484 1.00 0.00 H +ATOM 4221 HB1 ALA A 284 -17.773 -23.889 -41.703 1.00 0.00 H +ATOM 4222 HB2 ALA A 284 -17.050 -22.682 -40.613 1.00 0.00 H +ATOM 4223 HB3 ALA A 284 -16.200 -24.212 -40.936 1.00 0.00 H +ATOM 4224 N PRO A 285 -19.241 -26.200 -40.695 1.00 45.45 N +ATOM 4225 CA PRO A 285 -19.498 -27.587 -41.129 1.00 46.15 C +ATOM 4226 C PRO A 285 -18.638 -28.004 -42.323 1.00 55.57 C +ATOM 4227 O PRO A 285 -19.138 -28.345 -43.395 1.00 56.40 O +ATOM 4228 CB PRO A 285 -20.997 -27.548 -41.464 1.00 41.83 C +ATOM 4229 CG PRO A 285 -21.238 -26.150 -41.945 1.00 43.85 C +ATOM 4230 CD PRO A 285 -20.310 -25.273 -41.108 1.00 46.84 C +ATOM 4231 HA PRO A 285 -19.326 -28.270 -40.297 1.00 0.00 H +ATOM 4232 HB3 PRO A 285 -21.574 -27.722 -40.556 1.00 0.00 H +ATOM 4233 HB2 PRO A 285 -21.205 -28.249 -42.273 1.00 0.00 H +ATOM 4234 HG3 PRO A 285 -22.273 -25.873 -41.747 1.00 0.00 H +ATOM 4235 HG2 PRO A 285 -20.956 -26.075 -42.995 1.00 0.00 H +ATOM 4236 HD2 PRO A 285 -19.886 -24.492 -41.740 1.00 0.00 H +ATOM 4237 HD3 PRO A 285 -20.845 -24.923 -40.225 1.00 0.00 H +ATOM 4238 N VAL A 286 -17.315 -27.983 -42.143 1.00 58.15 N +ATOM 4239 CA VAL A 286 -16.382 -28.426 -43.173 1.00 56.94 C +ATOM 4240 C VAL A 286 -15.526 -29.557 -42.627 1.00 56.51 C +ATOM 4241 O VAL A 286 -15.548 -29.879 -41.433 1.00 47.04 O +ATOM 4242 CB VAL A 286 -15.465 -27.299 -43.696 1.00 64.64 C +ATOM 4243 CG1 VAL A 286 -16.260 -26.183 -44.322 1.00 76.03 C +ATOM 4244 CG2 VAL A 286 -14.581 -26.776 -42.587 1.00 65.90 C +ATOM 4245 H VAL A 286 -16.929 -27.652 -41.270 1.00 0.00 H +ATOM 4246 HA VAL A 286 -16.960 -28.812 -44.013 1.00 0.00 H +ATOM 4247 HB VAL A 286 -14.820 -27.723 -44.466 1.00 0.00 H +ATOM 4248 HG11 VAL A 286 -15.581 -25.408 -44.678 1.00 0.00 H +ATOM 4249 HG12 VAL A 286 -16.837 -26.573 -45.160 1.00 0.00 H +ATOM 4250 HG13 VAL A 286 -16.938 -25.759 -43.581 1.00 0.00 H +ATOM 4251 HG21 VAL A 286 -13.942 -25.983 -42.975 1.00 0.00 H +ATOM 4252 HG22 VAL A 286 -15.202 -26.382 -41.782 1.00 0.00 H +ATOM 4253 HG23 VAL A 286 -13.961 -27.586 -42.203 1.00 0.00 H +ATOM 4254 N GLU A 287 -14.756 -30.157 -43.544 1.00 49.61 N +ATOM 4255 CA GLU A 287 -13.659 -31.031 -43.163 1.00 51.73 C +ATOM 4256 C GLU A 287 -12.555 -30.208 -42.508 1.00 62.57 C +ATOM 4257 O GLU A 287 -12.318 -29.059 -42.900 1.00 59.46 O +ATOM 4258 CB GLU A 287 -13.101 -31.759 -44.391 1.00 48.33 C +ATOM 4259 CG GLU A 287 -14.091 -32.699 -45.028 1.00 45.69 C +ATOM 4260 CD GLU A 287 -13.428 -33.737 -45.883 1.00 57.91 C +ATOM 4261 OE1 GLU A 287 -12.190 -33.660 -46.038 1.00 68.31 O +ATOM 4262 OE2 GLU A 287 -14.150 -34.600 -46.434 1.00 65.46 O1- +ATOM 4263 H GLU A 287 -14.931 -30.007 -44.527 1.00 0.00 H +ATOM 4264 HA GLU A 287 -14.024 -31.768 -42.448 1.00 0.00 H +ATOM 4265 HB3 GLU A 287 -12.206 -32.313 -44.107 1.00 0.00 H +ATOM 4266 HB2 GLU A 287 -12.772 -31.026 -45.128 1.00 0.00 H +ATOM 4267 HG3 GLU A 287 -14.796 -32.128 -45.632 1.00 0.00 H +ATOM 4268 HG2 GLU A 287 -14.676 -33.190 -44.251 1.00 0.00 H +ATOM 4269 N PRO A 288 -11.872 -30.753 -41.509 1.00 58.31 N +ATOM 4270 CA PRO A 288 -10.709 -30.057 -40.966 1.00 47.76 C +ATOM 4271 C PRO A 288 -9.610 -29.978 -42.007 1.00 52.83 C +ATOM 4272 O PRO A 288 -9.561 -30.751 -42.964 1.00 56.87 O +ATOM 4273 CB PRO A 288 -10.275 -30.920 -39.776 1.00 41.86 C +ATOM 4274 CG PRO A 288 -11.155 -32.112 -39.778 1.00 52.11 C +ATOM 4275 CD PRO A 288 -11.986 -32.129 -41.009 1.00 58.49 C +ATOM 4276 HA PRO A 288 -10.987 -29.058 -40.630 1.00 0.00 H +ATOM 4277 HB3 PRO A 288 -10.422 -30.362 -38.851 1.00 0.00 H +ATOM 4278 HB2 PRO A 288 -9.240 -31.233 -39.914 1.00 0.00 H +ATOM 4279 HG3 PRO A 288 -11.804 -32.086 -38.902 1.00 0.00 H +ATOM 4280 HG2 PRO A 288 -10.544 -33.014 -39.740 1.00 0.00 H +ATOM 4281 HD2 PRO A 288 -11.543 -32.813 -41.733 1.00 0.00 H +ATOM 4282 HD3 PRO A 288 -13.023 -32.329 -40.740 1.00 0.00 H +ATOM 4283 N THR A 289 -8.717 -29.020 -41.794 1.00 52.67 N +ATOM 4284 CA THR A 289 -7.505 -28.865 -42.582 1.00 55.38 C +ATOM 4285 C THR A 289 -6.258 -28.930 -41.700 1.00 52.70 C +ATOM 4286 O THR A 289 -5.217 -28.383 -42.071 1.00 64.36 O +ATOM 4287 CB THR A 289 -7.556 -27.544 -43.361 1.00 61.98 C +ATOM 4288 OG1 THR A 289 -7.549 -26.432 -42.449 1.00 68.38 O +ATOM 4289 CG2 THR A 289 -8.829 -27.467 -44.201 1.00 60.65 C +ATOM 4290 H THR A 289 -8.862 -28.350 -41.052 1.00 0.00 H +ATOM 4291 HA THR A 289 -7.458 -29.683 -43.300 1.00 0.00 H +ATOM 4292 HB THR A 289 -6.687 -27.478 -44.016 1.00 0.00 H +ATOM 4293 HG1 THR A 289 -6.748 -26.456 -41.921 1.00 0.00 H +ATOM 4294 HG21 THR A 289 -8.848 -26.524 -44.747 1.00 0.00 H +ATOM 4295 HG22 THR A 289 -8.849 -28.296 -44.909 1.00 0.00 H +ATOM 4296 HG23 THR A 289 -9.700 -27.526 -43.548 1.00 0.00 H +ATOM 4297 N THR A 290 -6.344 -29.584 -40.539 1.00 57.64 N +ATOM 4298 CA THR A 290 -5.264 -29.552 -39.555 1.00 55.51 C +ATOM 4299 C THR A 290 -4.169 -30.562 -39.886 1.00 57.61 C +ATOM 4300 O THR A 290 -4.423 -31.635 -40.434 1.00 53.71 O +ATOM 4301 CB THR A 290 -5.788 -29.832 -38.142 1.00 61.88 C +ATOM 4302 OG1 THR A 290 -6.390 -31.132 -38.087 1.00 70.46 O +ATOM 4303 CG2 THR A 290 -6.802 -28.780 -37.711 1.00 55.53 C +ATOM 4304 H THR A 290 -7.172 -30.120 -40.321 1.00 0.00 H +ATOM 4305 HA THR A 290 -4.823 -28.555 -39.564 1.00 0.00 H +ATOM 4306 HB THR A 290 -4.947 -29.809 -37.449 1.00 0.00 H +ATOM 4307 HG1 THR A 290 -5.738 -31.798 -38.318 1.00 0.00 H +ATOM 4308 HG21 THR A 290 -7.155 -29.006 -36.705 1.00 0.00 H +ATOM 4309 HG22 THR A 290 -6.332 -27.797 -37.718 1.00 0.00 H +ATOM 4310 HG23 THR A 290 -7.646 -28.784 -38.401 1.00 0.00 H +ATOM 4311 N SER A 291 -2.940 -30.209 -39.533 1.00 63.67 N +ATOM 4312 CA SER A 291 -1.808 -31.091 -39.763 1.00 73.99 C +ATOM 4313 C SER A 291 -1.600 -32.014 -38.568 1.00 72.42 C +ATOM 4314 O SER A 291 -1.919 -31.672 -37.426 1.00 74.03 O +ATOM 4315 CB SER A 291 -0.536 -30.283 -40.037 1.00 83.13 C +ATOM 4316 OG SER A 291 -0.288 -29.332 -39.013 1.00 94.12 O +ATOM 4317 H SER A 291 -2.778 -29.313 -39.096 1.00 0.00 H +ATOM 4318 HA SER A 291 -2.022 -31.704 -40.639 1.00 0.00 H +ATOM 4319 HB3 SER A 291 -0.632 -29.769 -40.994 1.00 0.00 H +ATOM 4320 HB2 SER A 291 0.314 -30.961 -40.116 1.00 0.00 H +ATOM 4321 HG SER A 291 0.514 -28.845 -39.216 1.00 0.00 H +ATOM 4322 N GLN A 292 -1.070 -33.199 -38.847 1.00 65.99 N +ATOM 4323 CA GLN A 292 -0.724 -34.166 -37.819 1.00 73.89 C +ATOM 4324 C GLN A 292 0.756 -34.059 -37.480 1.00 83.53 C +ATOM 4325 O GLN A 292 1.608 -33.970 -38.369 1.00 84.14 O +ATOM 4326 CB GLN A 292 -1.049 -35.589 -38.274 1.00 77.19 C +ATOM 4327 CG GLN A 292 -0.644 -36.673 -37.287 1.00 71.48 C +ATOM 4328 CD GLN A 292 -0.519 -38.034 -37.947 1.00 68.89 C +ATOM 4329 OE1 GLN A 292 -0.456 -38.135 -39.175 1.00 74.22 O +ATOM 4330 NE2 GLN A 292 -0.492 -39.090 -37.137 1.00 67.22 N +ATOM 4331 H GLN A 292 -0.892 -33.459 -39.806 1.00 0.00 H +ATOM 4332 HA GLN A 292 -1.304 -33.945 -36.923 1.00 0.00 H +ATOM 4333 HB3 GLN A 292 -0.571 -35.779 -39.235 1.00 0.00 H +ATOM 4334 HB2 GLN A 292 -2.117 -35.668 -38.479 1.00 0.00 H +ATOM 4335 HG3 GLN A 292 -1.380 -36.726 -36.484 1.00 0.00 H +ATOM 4336 HG2 GLN A 292 0.306 -36.406 -36.825 1.00 0.00 H +ATOM 4337 HE22 GLN A 292 -0.410 -40.020 -37.522 1.00 0.00 H +ATOM 4338 HE21 GLN A 292 -0.553 -38.961 -36.137 1.00 0.00 H +ATOM 4339 N THR A 293 1.041 -34.067 -36.235 1.00 87.36 N +ATOM 4340 CA THR A 293 2.314 -34.066 -35.528 1.00 81.95 C +ATOM 4341 C THR A 293 2.778 -35.501 -35.294 1.00 82.34 C +ATOM 4342 O THR A 293 1.959 -36.366 -34.968 1.00 87.81 O +ATOM 4343 CB THR A 293 2.168 -33.353 -34.183 1.00 77.46 C +ATOM 4344 OG1 THR A 293 1.790 -31.985 -34.395 1.00 81.27 O +ATOM 4345 CG2 THR A 293 3.450 -33.411 -33.384 1.00 56.69 C +ATOM 4346 H THR A 293 0.301 -34.076 -35.548 1.00 0.00 H +ATOM 4347 HA THR A 293 3.057 -33.544 -36.131 1.00 0.00 H +ATOM 4348 HB THR A 293 1.381 -33.846 -33.612 1.00 0.00 H +ATOM 4349 HG1 THR A 293 1.700 -31.542 -33.548 1.00 0.00 H +ATOM 4350 HG21 THR A 293 3.310 -32.895 -32.434 1.00 0.00 H +ATOM 4351 HG22 THR A 293 3.715 -34.451 -33.196 1.00 0.00 H +ATOM 4352 HG23 THR A 293 4.250 -32.929 -33.945 1.00 0.00 H +ATOM 4353 N PRO A 294 4.067 -35.802 -35.469 1.00 77.33 N +ATOM 4354 CA PRO A 294 4.579 -37.104 -35.019 1.00 74.11 C +ATOM 4355 C PRO A 294 4.358 -37.282 -33.524 1.00 70.69 C +ATOM 4356 O PRO A 294 4.446 -36.330 -32.747 1.00 65.95 O +ATOM 4357 CB PRO A 294 6.073 -37.041 -35.363 1.00 68.03 C +ATOM 4358 CG PRO A 294 6.381 -35.565 -35.448 1.00 60.87 C +ATOM 4359 CD PRO A 294 5.133 -34.978 -36.065 1.00 65.73 C +ATOM 4360 HA PRO A 294 4.097 -37.911 -35.571 1.00 0.00 H +ATOM 4361 HB3 PRO A 294 6.239 -37.501 -36.337 1.00 0.00 H +ATOM 4362 HB2 PRO A 294 6.649 -37.484 -34.551 1.00 0.00 H +ATOM 4363 HG3 PRO A 294 7.223 -35.411 -36.123 1.00 0.00 H +ATOM 4364 HG2 PRO A 294 6.508 -35.165 -34.442 1.00 0.00 H +ATOM 4365 HD2 PRO A 294 5.019 -33.947 -35.731 1.00 0.00 H +ATOM 4366 HD3 PRO A 294 5.154 -35.142 -37.142 1.00 0.00 H +ATOM 4367 N SER A 295 4.062 -38.520 -33.129 1.00 76.22 N +ATOM 4368 CA SER A 295 3.779 -38.846 -31.735 1.00 71.65 C +ATOM 4369 C SER A 295 5.094 -39.019 -30.990 1.00 67.52 C +ATOM 4370 O SER A 295 5.821 -39.990 -31.221 1.00 59.55 O +ATOM 4371 CB SER A 295 2.936 -40.113 -31.646 1.00 65.44 C +ATOM 4372 OG SER A 295 2.474 -40.470 -32.930 1.00 68.54 O +ATOM 4373 H SER A 295 4.028 -39.271 -33.804 1.00 0.00 H +ATOM 4374 HA SER A 295 3.225 -38.022 -31.286 1.00 0.00 H +ATOM 4375 HB3 SER A 295 2.084 -39.937 -30.990 1.00 0.00 H +ATOM 4376 HB2 SER A 295 3.541 -40.924 -31.239 1.00 0.00 H +ATOM 4377 HG SER A 295 1.944 -41.268 -32.869 1.00 0.00 H +ATOM 4378 N ALA A 296 5.405 -38.072 -30.106 1.00 66.94 N +ATOM 4379 CA ALA A 296 6.571 -38.147 -29.237 1.00 60.05 C +ATOM 4380 C ALA A 296 6.231 -38.668 -27.850 1.00 62.74 C +ATOM 4381 O ALA A 296 7.110 -38.711 -26.985 1.00 67.69 O +ATOM 4382 CB ALA A 296 7.233 -36.771 -29.115 1.00 55.01 C +ATOM 4383 H ALA A 296 4.820 -37.254 -30.016 1.00 0.00 H +ATOM 4384 HA ALA A 296 7.289 -38.831 -29.690 1.00 0.00 H +ATOM 4385 HB1 ALA A 296 8.103 -36.842 -28.462 1.00 0.00 H +ATOM 4386 HB2 ALA A 296 7.546 -36.429 -30.101 1.00 0.00 H +ATOM 4387 HB3 ALA A 296 6.521 -36.061 -28.694 1.00 0.00 H +ATOM 4388 N ALA A 297 4.976 -39.042 -27.608 1.00 64.45 N +ATOM 4389 CA ALA A 297 4.602 -39.611 -26.320 1.00 56.72 C +ATOM 4390 C ALA A 297 3.499 -40.651 -26.486 1.00 51.43 C +ATOM 4391 O ALA A 297 2.432 -40.514 -25.877 1.00 56.87 O +ATOM 4392 CB ALA A 297 4.161 -38.505 -25.358 1.00 42.91 C +ATOM 4393 H ALA A 297 4.270 -38.933 -28.322 1.00 0.00 H +ATOM 4394 HA ALA A 297 5.477 -40.104 -25.897 1.00 0.00 H +ATOM 4395 HB1 ALA A 297 3.885 -38.945 -24.400 1.00 0.00 H +ATOM 4396 HB2 ALA A 297 4.981 -37.802 -25.211 1.00 0.00 H +ATOM 4397 HB3 ALA A 297 3.303 -37.979 -25.777 1.00 0.00 H +ATOM 4398 N PRO A 298 3.727 -41.705 -27.276 1.00 50.27 N +ATOM 4399 CA PRO A 298 2.719 -42.767 -27.431 1.00 52.36 C +ATOM 4400 C PRO A 298 2.457 -43.503 -26.127 1.00 53.27 C +ATOM 4401 O PRO A 298 3.286 -43.522 -25.218 1.00 65.68 O +ATOM 4402 CB PRO A 298 3.369 -43.712 -28.446 1.00 50.72 C +ATOM 4403 CG PRO A 298 4.850 -43.568 -28.145 1.00 44.19 C +ATOM 4404 CD PRO A 298 4.994 -42.067 -27.946 1.00 51.38 C +ATOM 4405 HA PRO A 298 1.791 -42.357 -27.831 1.00 0.00 H +ATOM 4406 HB3 PRO A 298 3.170 -43.349 -29.454 1.00 0.00 H +ATOM 4407 HB2 PRO A 298 3.057 -44.735 -28.236 1.00 0.00 H +ATOM 4408 HG3 PRO A 298 5.425 -43.871 -29.020 1.00 0.00 H +ATOM 4409 HG2 PRO A 298 5.077 -44.077 -27.208 1.00 0.00 H +ATOM 4410 HD2 PRO A 298 5.826 -41.873 -27.270 1.00 0.00 H +ATOM 4411 HD3 PRO A 298 5.038 -41.578 -28.919 1.00 0.00 H +ATOM 4412 N LEU A 299 1.292 -44.144 -26.053 1.00 57.57 N +ATOM 4413 CA LEU A 299 0.955 -44.900 -24.853 1.00 57.26 C +ATOM 4414 C LEU A 299 1.819 -46.148 -24.756 1.00 52.54 C +ATOM 4415 O LEU A 299 2.020 -46.859 -25.743 1.00 58.03 O +ATOM 4416 CB LEU A 299 -0.528 -45.280 -24.835 1.00 53.62 C +ATOM 4417 CG LEU A 299 -0.979 -46.183 -23.675 1.00 54.14 C +ATOM 4418 CD1 LEU A 299 -2.407 -45.874 -23.269 1.00 53.94 C +ATOM 4419 CD2 LEU A 299 -0.847 -47.670 -24.026 1.00 57.65 C +ATOM 4420 H LEU A 299 0.644 -44.106 -26.827 1.00 0.00 H +ATOM 4421 HA LEU A 299 1.159 -44.274 -23.985 1.00 0.00 H +ATOM 4422 HB3 LEU A 299 -0.789 -45.753 -25.782 1.00 0.00 H +ATOM 4423 HB2 LEU A 299 -1.132 -44.373 -24.840 1.00 0.00 H +ATOM 4424 HG LEU A 299 -0.334 -45.980 -22.820 1.00 0.00 H +ATOM 4425 HD11 LEU A 299 -2.701 -46.527 -22.447 1.00 0.00 H +ATOM 4426 HD12 LEU A 299 -2.478 -44.834 -22.950 1.00 0.00 H +ATOM 4427 HD13 LEU A 299 -3.070 -46.039 -24.118 1.00 0.00 H +ATOM 4428 HD21 LEU A 299 -1.176 -48.274 -23.180 1.00 0.00 H +ATOM 4429 HD22 LEU A 299 -1.466 -47.895 -24.895 1.00 0.00 H +ATOM 4430 HD23 LEU A 299 0.194 -47.899 -24.253 1.00 0.00 H +ATOM 4431 N ALA A 300 2.300 -46.428 -23.545 1.00 57.72 N +ATOM 4432 CA ALA A 300 3.214 -47.534 -23.278 1.00 55.91 C +ATOM 4433 C ALA A 300 2.608 -48.413 -22.189 1.00 54.40 C +ATOM 4434 O ALA A 300 2.593 -48.029 -21.014 1.00 61.58 O +ATOM 4435 CB ALA A 300 4.594 -47.011 -22.870 1.00 54.81 C +ATOM 4436 H ALA A 300 2.034 -45.861 -22.753 1.00 0.00 H +ATOM 4437 HA ALA A 300 3.320 -48.127 -24.187 1.00 0.00 H +ATOM 4438 HB1 ALA A 300 5.259 -47.852 -22.676 1.00 0.00 H +ATOM 4439 HB2 ALA A 300 5.005 -46.402 -23.675 1.00 0.00 H +ATOM 4440 HB3 ALA A 300 4.502 -46.406 -21.968 1.00 0.00 H +ATOM 4441 N GLU A 301 2.131 -49.600 -22.587 1.00 47.59 N +ATOM 4442 CA GLU A 301 1.423 -50.488 -21.667 1.00 48.85 C +ATOM 4443 C GLU A 301 2.252 -50.814 -20.432 1.00 46.67 C +ATOM 4444 O GLU A 301 1.695 -50.976 -19.340 1.00 56.01 O +ATOM 4445 CB GLU A 301 1.019 -51.788 -22.377 1.00 52.23 C +ATOM 4446 CG GLU A 301 0.112 -52.678 -21.524 1.00 56.20 C +ATOM 4447 CD GLU A 301 -0.403 -53.906 -22.257 1.00 55.74 C +ATOM 4448 OE1 GLU A 301 -1.599 -54.223 -22.093 1.00 61.95 O +ATOM 4449 OE2 GLU A 301 0.369 -54.548 -23.003 1.00 58.17 O1- +ATOM 4450 H GLU A 301 2.257 -49.900 -23.543 1.00 0.00 H +ATOM 4451 HA GLU A 301 0.514 -49.983 -21.341 1.00 0.00 H +ATOM 4452 HB3 GLU A 301 1.915 -52.343 -22.653 1.00 0.00 H +ATOM 4453 HB2 GLU A 301 0.514 -51.548 -23.313 1.00 0.00 H +ATOM 4454 HG3 GLU A 301 -0.733 -52.092 -21.162 1.00 0.00 H +ATOM 4455 HG2 GLU A 301 0.650 -52.990 -20.629 1.00 0.00 H +ATOM 4456 N SER A 302 3.573 -50.909 -20.572 1.00 49.87 N +ATOM 4457 CA SER A 302 4.388 -51.234 -19.409 1.00 48.10 C +ATOM 4458 C SER A 302 4.564 -50.041 -18.477 1.00 51.11 C +ATOM 4459 O SER A 302 4.918 -50.230 -17.310 1.00 63.34 O +ATOM 4460 CB SER A 302 5.757 -51.795 -19.843 1.00 52.42 C +ATOM 4461 OG SER A 302 6.518 -50.876 -20.612 1.00 59.76 O +ATOM 4462 H SER A 302 3.997 -50.756 -21.476 1.00 0.00 H +ATOM 4463 HA SER A 302 3.872 -52.016 -18.852 1.00 0.00 H +ATOM 4464 HB3 SER A 302 5.608 -52.710 -20.416 1.00 0.00 H +ATOM 4465 HB2 SER A 302 6.326 -52.086 -18.960 1.00 0.00 H +ATOM 4466 HG SER A 302 7.442 -50.937 -20.361 1.00 0.00 H +ATOM 4467 N ALA A 303 4.290 -48.831 -18.952 1.00 52.86 N +ATOM 4468 CA ALA A 303 4.301 -47.632 -18.123 1.00 51.13 C +ATOM 4469 C ALA A 303 2.952 -47.339 -17.483 1.00 59.79 C +ATOM 4470 O ALA A 303 2.836 -46.333 -16.777 1.00 59.70 O +ATOM 4471 CB ALA A 303 4.729 -46.413 -18.953 1.00 40.79 C +ATOM 4472 H ALA A 303 4.061 -48.712 -19.928 1.00 0.00 H +ATOM 4473 HA ALA A 303 5.032 -47.775 -17.327 1.00 0.00 H +ATOM 4474 HB1 ALA A 303 4.732 -45.525 -18.321 1.00 0.00 H +ATOM 4475 HB2 ALA A 303 5.730 -46.578 -19.352 1.00 0.00 H +ATOM 4476 HB3 ALA A 303 4.029 -46.269 -19.776 1.00 0.00 H +ATOM 4477 N LEU A 304 1.930 -48.159 -17.743 1.00 54.43 N +ATOM 4478 CA LEU A 304 0.616 -47.992 -17.132 1.00 48.54 C +ATOM 4479 C LEU A 304 0.564 -48.752 -15.813 1.00 55.91 C +ATOM 4480 O LEU A 304 1.100 -49.857 -15.692 1.00 51.71 O +ATOM 4481 CB LEU A 304 -0.501 -48.508 -18.052 1.00 50.32 C +ATOM 4482 CG LEU A 304 -0.771 -47.915 -19.437 1.00 47.84 C +ATOM 4483 CD1 LEU A 304 -1.756 -48.793 -20.233 1.00 47.51 C +ATOM 4484 CD2 LEU A 304 -1.343 -46.518 -19.288 1.00 55.00 C +ATOM 4485 H LEU A 304 2.052 -48.930 -18.384 1.00 0.00 H +ATOM 4486 HA LEU A 304 0.450 -46.933 -16.936 1.00 0.00 H +ATOM 4487 HB3 LEU A 304 -1.435 -48.523 -17.491 1.00 0.00 H +ATOM 4488 HB2 LEU A 304 -0.401 -49.589 -18.149 1.00 0.00 H +ATOM 4489 HG LEU A 304 0.170 -47.855 -19.984 1.00 0.00 H +ATOM 4490 HD11 LEU A 304 -1.930 -48.348 -21.213 1.00 0.00 H +ATOM 4491 HD12 LEU A 304 -1.336 -49.791 -20.357 1.00 0.00 H +ATOM 4492 HD13 LEU A 304 -2.700 -48.862 -19.693 1.00 0.00 H +ATOM 4493 HD21 LEU A 304 -1.535 -46.096 -20.275 1.00 0.00 H +ATOM 4494 HD22 LEU A 304 -2.276 -46.565 -18.726 1.00 0.00 H +ATOM 4495 HD23 LEU A 304 -0.630 -45.888 -18.757 1.00 0.00 H +ATOM 4496 N THR A 305 -0.101 -48.169 -14.827 1.00 53.22 N +ATOM 4497 CA THR A 305 -0.306 -48.893 -13.593 1.00 57.84 C +ATOM 4498 C THR A 305 -1.723 -48.656 -13.086 1.00 55.16 C +ATOM 4499 O THR A 305 -2.373 -47.661 -13.398 1.00 45.91 O +ATOM 4500 CB THR A 305 0.745 -48.505 -12.538 1.00 62.58 C +ATOM 4501 OG1 THR A 305 0.794 -49.516 -11.525 1.00 65.85 O +ATOM 4502 CG2 THR A 305 0.414 -47.176 -11.907 1.00 60.87 C +ATOM 4503 H THR A 305 -0.457 -47.231 -14.943 1.00 0.00 H +ATOM 4504 HA THR A 305 -0.196 -49.957 -13.804 1.00 0.00 H +ATOM 4505 HB THR A 305 1.721 -48.436 -13.018 1.00 0.00 H +ATOM 4506 HG1 THR A 305 1.408 -50.205 -11.789 1.00 0.00 H +ATOM 4507 HG21 THR A 305 1.173 -46.926 -11.165 1.00 0.00 H +ATOM 4508 HG22 THR A 305 0.390 -46.404 -12.676 1.00 0.00 H +ATOM 4509 HG23 THR A 305 -0.561 -47.236 -11.423 1.00 0.00 H +ATOM 4510 N THR A 306 -2.195 -49.612 -12.307 1.00 53.43 N +ATOM 4511 CA THR A 306 -3.468 -49.495 -11.623 1.00 50.16 C +ATOM 4512 C THR A 306 -3.488 -48.250 -10.732 1.00 54.29 C +ATOM 4513 O THR A 306 -2.453 -47.797 -10.239 1.00 56.87 O +ATOM 4514 CB THR A 306 -3.689 -50.783 -10.825 1.00 52.35 C +ATOM 4515 OG1 THR A 306 -4.164 -51.803 -11.721 1.00 55.00 O +ATOM 4516 CG2 THR A 306 -4.641 -50.595 -9.666 1.00 50.61 C +ATOM 4517 H THR A 306 -1.665 -50.461 -12.171 1.00 0.00 H +ATOM 4518 HA THR A 306 -4.259 -49.405 -12.368 1.00 0.00 H +ATOM 4519 HB THR A 306 -2.727 -51.104 -10.425 1.00 0.00 H +ATOM 4520 HG1 THR A 306 -4.990 -51.520 -12.119 1.00 0.00 H +ATOM 4521 HG21 THR A 306 -4.760 -51.540 -9.136 1.00 0.00 H +ATOM 4522 HG22 THR A 306 -4.241 -49.845 -8.984 1.00 0.00 H +ATOM 4523 HG23 THR A 306 -5.610 -50.264 -10.041 1.00 0.00 H +ATOM 4524 N LEU A 307 -4.686 -47.673 -10.560 1.00 53.45 N +ATOM 4525 CA LEU A 307 -4.834 -46.460 -9.754 1.00 64.17 C +ATOM 4526 C LEU A 307 -4.411 -46.689 -8.307 1.00 51.83 C +ATOM 4527 O LEU A 307 -3.765 -45.829 -7.699 1.00 56.77 O +ATOM 4528 CB LEU A 307 -6.280 -45.954 -9.801 1.00 61.07 C +ATOM 4529 CG LEU A 307 -6.545 -44.897 -8.717 1.00 55.09 C +ATOM 4530 CD1 LEU A 307 -5.868 -43.605 -9.133 1.00 51.60 C +ATOM 4531 CD2 LEU A 307 -8.017 -44.653 -8.473 1.00 48.93 C +ATOM 4532 H LEU A 307 -5.507 -48.075 -10.990 1.00 0.00 H +ATOM 4533 HA LEU A 307 -4.190 -45.689 -10.178 1.00 0.00 H +ATOM 4534 HB3 LEU A 307 -6.962 -46.793 -9.664 1.00 0.00 H +ATOM 4535 HB2 LEU A 307 -6.483 -45.526 -10.783 1.00 0.00 H +ATOM 4536 HG LEU A 307 -6.093 -45.238 -7.785 1.00 0.00 H +ATOM 4537 HD11 LEU A 307 -6.045 -42.841 -8.376 1.00 0.00 H +ATOM 4538 HD12 LEU A 307 -4.796 -43.773 -9.236 1.00 0.00 H +ATOM 4539 HD13 LEU A 307 -6.276 -43.271 -10.087 1.00 0.00 H +ATOM 4540 HD21 LEU A 307 -8.137 -43.897 -7.697 1.00 0.00 H +ATOM 4541 HD22 LEU A 307 -8.486 -44.306 -9.394 1.00 0.00 H +ATOM 4542 HD23 LEU A 307 -8.491 -45.580 -8.152 1.00 0.00 H +ATOM 4543 N ALA A 308 -4.780 -47.830 -7.736 1.00 51.45 N +ATOM 4544 CA ALA A 308 -4.361 -48.209 -6.394 1.00 55.07 C +ATOM 4545 C ALA A 308 -3.004 -48.907 -6.373 1.00 60.90 C +ATOM 4546 O ALA A 308 -2.522 -49.258 -5.291 1.00 69.02 O +ATOM 4547 CB ALA A 308 -5.421 -49.117 -5.753 1.00 43.77 C +ATOM 4548 H ALA A 308 -5.375 -48.475 -8.235 1.00 0.00 H +ATOM 4549 HA ALA A 308 -4.285 -47.302 -5.794 1.00 0.00 H +ATOM 4550 HB1 ALA A 308 -5.101 -49.397 -4.749 1.00 0.00 H +ATOM 4551 HB2 ALA A 308 -6.370 -48.584 -5.696 1.00 0.00 H +ATOM 4552 HB3 ALA A 308 -5.545 -50.015 -6.358 1.00 0.00 H +ATOM 4553 N GLY A 309 -2.385 -49.131 -7.529 1.00 55.51 N +ATOM 4554 CA GLY A 309 -1.083 -49.778 -7.560 1.00 53.35 C +ATOM 4555 C GLY A 309 -1.076 -51.237 -7.149 1.00 50.02 C +ATOM 4556 O GLY A 309 -0.032 -51.747 -6.742 1.00 51.40 O +ATOM 4557 H GLY A 309 -2.819 -48.851 -8.397 1.00 0.00 H +ATOM 4558 HA3 GLY A 309 -0.389 -49.222 -6.929 1.00 0.00 H +ATOM 4559 HA2 GLY A 309 -0.657 -49.683 -8.559 1.00 0.00 H +ATOM 4560 N THR A 310 -2.203 -51.934 -7.288 1.00 48.10 N +ATOM 4561 CA THR A 310 -2.306 -53.330 -6.872 1.00 60.58 C +ATOM 4562 C THR A 310 -1.187 -54.202 -7.445 1.00 70.45 C +ATOM 4563 O THR A 310 -0.741 -54.018 -8.581 1.00 66.72 O +ATOM 4564 CB THR A 310 -3.667 -53.864 -7.299 1.00 57.87 C +ATOM 4565 OG1 THR A 310 -4.670 -52.998 -6.760 1.00 58.89 O +ATOM 4566 CG2 THR A 310 -3.887 -55.296 -6.800 1.00 52.83 C +ATOM 4567 H THR A 310 -3.020 -51.498 -7.692 1.00 0.00 H +ATOM 4568 HA THR A 310 -2.248 -53.369 -5.784 1.00 0.00 H +ATOM 4569 HB THR A 310 -3.731 -53.851 -8.387 1.00 0.00 H +ATOM 4570 HG1 THR A 310 -5.539 -53.315 -7.017 1.00 0.00 H +ATOM 4571 HG21 THR A 310 -4.867 -55.647 -7.122 1.00 0.00 H +ATOM 4572 HG22 THR A 310 -3.116 -55.947 -7.211 1.00 0.00 H +ATOM 4573 HG23 THR A 310 -3.835 -55.314 -5.711 1.00 0.00 H +ATOM 4574 N ALA A 311 -0.726 -55.152 -6.636 1.00 64.31 N +ATOM 4575 CA ALA A 311 0.401 -55.994 -7.001 1.00 56.35 C +ATOM 4576 C ALA A 311 -0.060 -57.184 -7.836 1.00 55.14 C +ATOM 4577 O ALA A 311 -1.246 -57.512 -7.898 1.00 49.89 O +ATOM 4578 CB ALA A 311 1.128 -56.489 -5.753 1.00 54.08 C +ATOM 4579 H ALA A 311 -1.161 -55.305 -5.738 1.00 0.00 H +ATOM 4580 HA ALA A 311 1.097 -55.402 -7.596 1.00 0.00 H +ATOM 4581 HB1 ALA A 311 1.969 -57.118 -6.047 1.00 0.00 H +ATOM 4582 HB2 ALA A 311 1.495 -55.635 -5.183 1.00 0.00 H +ATOM 4583 HB3 ALA A 311 0.440 -57.068 -5.137 1.00 0.00 H +ATOM 4584 N ALA A 312 0.894 -57.823 -8.497 1.00 54.49 N +ATOM 4585 CA ALA A 312 0.578 -59.071 -9.162 1.00 55.96 C +ATOM 4586 C ALA A 312 0.328 -60.137 -8.103 1.00 52.87 C +ATOM 4587 O ALA A 312 1.038 -60.185 -7.095 1.00 69.83 O +ATOM 4588 CB ALA A 312 1.709 -59.518 -10.094 1.00 42.34 C +ATOM 4589 H ALA A 312 1.828 -57.439 -8.533 1.00 0.00 H +ATOM 4590 HA ALA A 312 -0.331 -58.937 -9.749 1.00 0.00 H +ATOM 4591 HB1 ALA A 312 1.435 -60.457 -10.574 1.00 0.00 H +ATOM 4592 HB2 ALA A 312 1.875 -58.756 -10.856 1.00 0.00 H +ATOM 4593 HB3 ALA A 312 2.622 -59.659 -9.516 1.00 0.00 H +ATOM 4594 N PRO A 313 -0.676 -60.990 -8.290 1.00 47.98 N +ATOM 4595 CA PRO A 313 -0.856 -62.113 -7.372 1.00 53.31 C +ATOM 4596 C PRO A 313 0.370 -63.015 -7.419 1.00 59.90 C +ATOM 4597 O PRO A 313 1.133 -63.020 -8.389 1.00 58.69 O +ATOM 4598 CB PRO A 313 -2.103 -62.817 -7.915 1.00 54.64 C +ATOM 4599 CG PRO A 313 -2.074 -62.517 -9.385 1.00 52.48 C +ATOM 4600 CD PRO A 313 -1.495 -61.129 -9.512 1.00 49.04 C +ATOM 4601 HA PRO A 313 -1.029 -61.755 -6.357 1.00 0.00 H +ATOM 4602 HB3 PRO A 313 -2.992 -62.367 -7.473 1.00 0.00 H +ATOM 4603 HB2 PRO A 313 -2.004 -63.892 -7.765 1.00 0.00 H +ATOM 4604 HG3 PRO A 313 -3.092 -62.522 -9.776 1.00 0.00 H +ATOM 4605 HG2 PRO A 313 -1.420 -63.230 -9.887 1.00 0.00 H +ATOM 4606 HD2 PRO A 313 -0.846 -61.088 -10.387 1.00 0.00 H +ATOM 4607 HD3 PRO A 313 -2.303 -60.398 -9.488 1.00 0.00 H +ATOM 4608 N GLY A 314 0.569 -63.772 -6.344 1.00 55.22 N +ATOM 4609 CA GLY A 314 1.730 -64.639 -6.258 1.00 49.89 C +ATOM 4610 C GLY A 314 2.964 -63.907 -5.763 1.00 61.04 C +ATOM 4611 O GLY A 314 2.937 -62.734 -5.389 1.00 67.43 O +ATOM 4612 H GLY A 314 -0.090 -63.746 -5.579 1.00 0.00 H +ATOM 4613 HA3 GLY A 314 1.933 -65.071 -7.238 1.00 0.00 H +ATOM 4614 HA2 GLY A 314 1.511 -65.473 -5.591 1.00 0.00 H +ATOM 4615 N ASN A 315 4.071 -64.627 -5.775 1.00 65.04 N +ATOM 4616 CA ASN A 315 5.362 -64.100 -5.351 1.00 64.47 C +ATOM 4617 C ASN A 315 6.041 -63.372 -6.508 1.00 64.72 C +ATOM 4618 O ASN A 315 5.900 -63.778 -7.663 1.00 58.17 O +ATOM 4619 CB ASN A 315 6.256 -65.231 -4.855 1.00 75.50 C +ATOM 4620 CG ASN A 315 5.689 -65.915 -3.635 1.00 92.18 C +ATOM 4621 OD1 ASN A 315 5.946 -67.215 -3.506 1.00 3.68 O +ATOM 4622 ND2 ASN A 315 5.015 -65.283 -2.817 1.00 97.13 N +ATOM 4623 H ASN A 315 4.046 -65.587 -6.088 1.00 0.00 H +ATOM 4624 HA ASN A 315 5.203 -63.394 -4.536 1.00 0.00 H +ATOM 4625 HB3 ASN A 315 7.245 -64.836 -4.622 1.00 0.00 H +ATOM 4626 HB2 ASN A 315 6.390 -65.963 -5.651 1.00 0.00 H +ATOM 4627 HD22 ASN A 315 4.640 -65.750 -2.004 1.00 0.00 H +ATOM 4628 HD21 ASN A 315 4.838 -64.299 -2.961 1.00 0.00 H +ATOM 4629 N PRO A 316 6.818 -62.274 -6.218 1.00 65.17 N +ATOM 4630 CA PRO A 316 7.359 -61.429 -7.291 1.00 54.23 C +ATOM 4631 C PRO A 316 8.599 -62.032 -7.941 1.00 55.12 C +ATOM 4632 O PRO A 316 9.685 -61.447 -7.926 1.00 53.53 O +ATOM 4633 CB PRO A 316 7.670 -60.127 -6.544 1.00 57.57 C +ATOM 4634 CG PRO A 316 8.142 -60.604 -5.215 1.00 58.78 C +ATOM 4635 CD PRO A 316 7.294 -61.831 -4.896 1.00 57.03 C +ATOM 4636 HA PRO A 316 6.593 -61.251 -8.046 1.00 0.00 H +ATOM 4637 HB3 PRO A 316 6.750 -59.557 -6.416 1.00 0.00 H +ATOM 4638 HB2 PRO A 316 8.484 -59.608 -7.050 1.00 0.00 H +ATOM 4639 HG3 PRO A 316 7.958 -59.833 -4.467 1.00 0.00 H +ATOM 4640 HG2 PRO A 316 9.189 -60.897 -5.287 1.00 0.00 H +ATOM 4641 HD2 PRO A 316 7.928 -62.605 -4.464 1.00 0.00 H +ATOM 4642 HD3 PRO A 316 6.441 -61.531 -4.288 1.00 0.00 H +ATOM 4643 N THR A 317 8.442 -63.221 -8.525 1.00 58.34 N +ATOM 4644 CA THR A 317 9.537 -63.855 -9.250 1.00 60.72 C +ATOM 4645 C THR A 317 8.962 -64.899 -10.201 1.00 51.72 C +ATOM 4646 O THR A 317 7.906 -65.479 -9.913 1.00 52.71 O +ATOM 4647 CB THR A 317 10.558 -64.484 -8.275 1.00 65.58 C +ATOM 4648 OG1 THR A 317 11.697 -64.965 -8.995 1.00 69.76 O +ATOM 4649 CG2 THR A 317 9.954 -65.614 -7.497 1.00 55.17 C +ATOM 4650 H THR A 317 7.553 -63.698 -8.469 1.00 0.00 H +ATOM 4651 HA THR A 317 10.047 -63.094 -9.840 1.00 0.00 H +ATOM 4652 HB THR A 317 10.888 -63.717 -7.575 1.00 0.00 H +ATOM 4653 HG1 THR A 317 11.418 -65.630 -9.629 1.00 0.00 H +ATOM 4654 HG21 THR A 317 10.701 -66.031 -6.822 1.00 0.00 H +ATOM 4655 HG22 THR A 317 9.108 -65.245 -6.918 1.00 0.00 H +ATOM 4656 HG23 THR A 317 9.613 -66.388 -8.185 1.00 0.00 H +ATOM 4657 N PRO A 318 9.602 -65.137 -11.348 1.00 50.06 N +ATOM 4658 CA PRO A 318 9.027 -66.081 -12.314 1.00 45.99 C +ATOM 4659 C PRO A 318 8.882 -67.469 -11.712 1.00 52.59 C +ATOM 4660 O PRO A 318 9.649 -67.877 -10.839 1.00 62.11 O +ATOM 4661 CB PRO A 318 10.030 -66.058 -13.472 1.00 42.43 C +ATOM 4662 CG PRO A 318 10.649 -64.697 -13.378 1.00 45.51 C +ATOM 4663 CD PRO A 318 10.801 -64.476 -11.892 1.00 43.30 C +ATOM 4664 HA PRO A 318 8.057 -65.720 -12.655 1.00 0.00 H +ATOM 4665 HB3 PRO A 318 9.492 -66.145 -14.416 1.00 0.00 H +ATOM 4666 HB2 PRO A 318 10.796 -66.815 -13.301 1.00 0.00 H +ATOM 4667 HG3 PRO A 318 9.958 -63.958 -13.783 1.00 0.00 H +ATOM 4668 HG2 PRO A 318 11.635 -64.717 -13.842 1.00 0.00 H +ATOM 4669 HD2 PRO A 318 11.690 -64.999 -11.540 1.00 0.00 H +ATOM 4670 HD3 PRO A 318 10.749 -63.408 -11.681 1.00 0.00 H +ATOM 4671 N GLY A 319 7.866 -68.193 -12.183 1.00 66.11 N +ATOM 4672 CA GLY A 319 7.477 -69.448 -11.571 1.00 57.98 C +ATOM 4673 C GLY A 319 7.013 -69.343 -10.133 1.00 63.75 C +ATOM 4674 O GLY A 319 6.741 -70.379 -9.509 1.00 60.40 O +ATOM 4675 H GLY A 319 7.346 -67.870 -12.986 1.00 0.00 H +ATOM 4676 HA3 GLY A 319 8.308 -70.151 -11.631 1.00 0.00 H +ATOM 4677 HA2 GLY A 319 6.694 -69.914 -12.169 1.00 0.00 H +ATOM 4678 N GLY A 320 6.928 -68.132 -9.580 1.00 64.02 N +ATOM 4679 CA GLY A 320 6.533 -67.942 -8.197 1.00 56.89 C +ATOM 4680 C GLY A 320 5.032 -67.896 -8.035 1.00 58.16 C +ATOM 4681 O GLY A 320 4.459 -66.846 -7.727 1.00 63.77 O +ATOM 4682 H GLY A 320 7.142 -67.311 -10.127 1.00 0.00 H +ATOM 4683 HA3 GLY A 320 6.967 -67.016 -7.820 1.00 0.00 H +ATOM 4684 HA2 GLY A 320 6.939 -68.751 -7.590 1.00 0.00 H +ATOM 4685 N VAL A 321 4.396 -69.053 -8.188 1.00 65.26 N +ATOM 4686 CA VAL A 321 2.972 -69.136 -8.488 1.00 69.44 C +ATOM 4687 C VAL A 321 2.521 -70.551 -8.127 1.00 63.32 C +ATOM 4688 O VAL A 321 3.355 -71.384 -7.754 1.00 68.03 O +ATOM 4689 CB VAL A 321 2.748 -68.789 -9.974 1.00 70.50 C +ATOM 4690 CG1 VAL A 321 3.002 -70.010 -10.870 1.00 60.99 C +ATOM 4691 CG2 VAL A 321 1.398 -68.166 -10.206 1.00 74.26 C +ATOM 4692 H VAL A 321 4.901 -69.923 -8.097 1.00 0.00 H +ATOM 4693 HA VAL A 321 2.433 -68.419 -7.868 1.00 0.00 H +ATOM 4694 HB VAL A 321 3.493 -68.040 -10.241 1.00 0.00 H +ATOM 4695 HG11 VAL A 321 2.837 -69.737 -11.912 1.00 0.00 H +ATOM 4696 HG12 VAL A 321 4.030 -70.348 -10.742 1.00 0.00 H +ATOM 4697 HG13 VAL A 321 2.319 -70.813 -10.593 1.00 0.00 H +ATOM 4698 HG21 VAL A 321 1.280 -67.937 -11.265 1.00 0.00 H +ATOM 4699 HG22 VAL A 321 0.618 -68.862 -9.896 1.00 0.00 H +ATOM 4700 HG23 VAL A 321 1.316 -67.248 -9.625 1.00 0.00 H +ATOM 4701 N ASP A 322 1.215 -70.839 -8.201 1.00 50.53 N +ATOM 4702 CA ASP A 322 0.738 -72.192 -7.894 1.00 57.60 C +ATOM 4703 C ASP A 322 0.688 -73.087 -9.121 1.00 58.78 C +ATOM 4704 O ASP A 322 0.868 -74.303 -9.001 1.00 63.53 O +ATOM 4705 CB ASP A 322 -0.670 -72.179 -7.276 1.00 52.39 C +ATOM 4706 CG ASP A 322 -0.754 -71.364 -6.008 1.00 50.14 C +ATOM 4707 OD1 ASP A 322 -0.192 -71.786 -4.975 1.00 63.30 O +ATOM 4708 OD2 ASP A 322 -1.392 -70.293 -6.052 1.00 54.61 O1- +ATOM 4709 H ASP A 322 0.554 -70.123 -8.469 1.00 0.00 H +ATOM 4710 HA ASP A 322 1.422 -72.639 -7.173 1.00 0.00 H +ATOM 4711 HB3 ASP A 322 -0.984 -73.202 -7.070 1.00 0.00 H +ATOM 4712 HB2 ASP A 322 -1.381 -71.790 -8.004 1.00 0.00 H +ATOM 4713 N LEU A 323 0.401 -72.519 -10.288 1.00 53.82 N +ATOM 4714 CA LEU A 323 0.351 -73.293 -11.524 1.00 57.78 C +ATOM 4715 C LEU A 323 0.832 -72.381 -12.642 1.00 59.03 C +ATOM 4716 O LEU A 323 0.194 -71.364 -12.931 1.00 59.13 O +ATOM 4717 CB LEU A 323 -1.061 -73.817 -11.793 1.00 62.94 C +ATOM 4718 CG LEU A 323 -1.302 -74.617 -13.072 1.00 56.45 C +ATOM 4719 CD1 LEU A 323 -0.495 -75.875 -13.026 1.00 62.86 C +ATOM 4720 CD2 LEU A 323 -2.776 -74.954 -13.242 1.00 52.65 C +ATOM 4721 H LEU A 323 0.211 -71.528 -10.334 1.00 0.00 H +ATOM 4722 HA LEU A 323 1.033 -74.139 -11.440 1.00 0.00 H +ATOM 4723 HB3 LEU A 323 -1.764 -72.985 -11.755 1.00 0.00 H +ATOM 4724 HB2 LEU A 323 -1.393 -74.404 -10.937 1.00 0.00 H +ATOM 4725 HG LEU A 323 -0.977 -74.022 -13.925 1.00 0.00 H +ATOM 4726 HD11 LEU A 323 -0.664 -76.449 -13.937 1.00 0.00 H +ATOM 4727 HD12 LEU A 323 0.563 -75.626 -12.945 1.00 0.00 H +ATOM 4728 HD13 LEU A 323 -0.795 -76.468 -12.162 1.00 0.00 H +ATOM 4729 HD21 LEU A 323 -2.915 -75.523 -14.161 1.00 0.00 H +ATOM 4730 HD22 LEU A 323 -3.114 -75.548 -12.393 1.00 0.00 H +ATOM 4731 HD23 LEU A 323 -3.356 -74.033 -13.294 1.00 0.00 H +ATOM 4732 N ALA A 324 1.986 -72.704 -13.217 1.00 57.90 N +ATOM 4733 CA ALA A 324 2.479 -72.026 -14.406 1.00 52.52 C +ATOM 4734 C ALA A 324 2.074 -72.852 -15.610 1.00 55.04 C +ATOM 4735 O ALA A 324 2.313 -74.064 -15.638 1.00 51.05 O +ATOM 4736 CB ALA A 324 4.000 -71.854 -14.379 1.00 46.25 C +ATOM 4737 H ALA A 324 2.554 -73.443 -12.829 1.00 0.00 H +ATOM 4738 HA ALA A 324 2.011 -71.044 -14.475 1.00 0.00 H +ATOM 4739 HB1 ALA A 324 4.325 -71.343 -15.286 1.00 0.00 H +ATOM 4740 HB2 ALA A 324 4.284 -71.263 -13.508 1.00 0.00 H +ATOM 4741 HB3 ALA A 324 4.476 -72.833 -14.324 1.00 0.00 H +ATOM 4742 N LEU A 325 1.429 -72.203 -16.577 1.00 56.85 N +ATOM 4743 CA LEU A 325 1.065 -72.818 -17.844 1.00 54.08 C +ATOM 4744 C LEU A 325 1.677 -71.985 -18.953 1.00 46.05 C +ATOM 4745 O LEU A 325 1.569 -70.757 -18.938 1.00 66.72 O +ATOM 4746 CB LEU A 325 -0.455 -72.906 -18.040 1.00 54.21 C +ATOM 4747 CG LEU A 325 -1.360 -73.617 -17.036 1.00 54.04 C +ATOM 4748 CD1 LEU A 325 -2.800 -73.480 -17.499 1.00 51.61 C +ATOM 4749 CD2 LEU A 325 -0.977 -75.097 -16.793 1.00 48.34 C +ATOM 4750 H LEU A 325 1.168 -71.236 -16.449 1.00 0.00 H +ATOM 4751 HA LEU A 325 1.485 -73.823 -17.883 1.00 0.00 H +ATOM 4752 HB3 LEU A 325 -0.657 -73.302 -19.035 1.00 0.00 H +ATOM 4753 HB2 LEU A 325 -0.844 -71.903 -18.213 1.00 0.00 H +ATOM 4754 HG LEU A 325 -1.270 -73.094 -16.084 1.00 0.00 H +ATOM 4755 HD11 LEU A 325 -3.459 -73.983 -16.792 1.00 0.00 H +ATOM 4756 HD12 LEU A 325 -3.065 -72.424 -17.554 1.00 0.00 H +ATOM 4757 HD13 LEU A 325 -2.910 -73.934 -18.484 1.00 0.00 H +ATOM 4758 HD21 LEU A 325 -1.663 -75.536 -16.069 1.00 0.00 H +ATOM 4759 HD22 LEU A 325 -1.039 -75.648 -17.732 1.00 0.00 H +ATOM 4760 HD23 LEU A 325 0.041 -75.151 -16.407 1.00 0.00 H +ATOM 4761 N ASN A 326 2.338 -72.651 -19.891 1.00 52.95 N +ATOM 4762 CA ASN A 326 2.891 -72.012 -21.074 1.00 59.87 C +ATOM 4763 C ASN A 326 2.099 -72.501 -22.275 1.00 60.07 C +ATOM 4764 O ASN A 326 1.884 -73.707 -22.436 1.00 60.43 O +ATOM 4765 CB ASN A 326 4.384 -72.323 -21.238 1.00 51.83 C +ATOM 4766 CG ASN A 326 4.984 -71.684 -22.483 1.00 51.10 C +ATOM 4767 OD1 ASN A 326 5.376 -70.519 -22.474 1.00 63.99 O +ATOM 4768 ND2 ASN A 326 5.059 -72.448 -23.557 1.00 53.16 N +ATOM 4769 H ASN A 326 2.476 -73.647 -19.801 1.00 0.00 H +ATOM 4770 HA ASN A 326 2.764 -70.933 -20.984 1.00 0.00 H +ATOM 4771 HB3 ASN A 326 4.527 -73.403 -21.281 1.00 0.00 H +ATOM 4772 HB2 ASN A 326 4.925 -71.977 -20.357 1.00 0.00 H +ATOM 4773 HD22 ASN A 326 5.448 -72.079 -24.413 1.00 0.00 H +ATOM 4774 HD21 ASN A 326 4.728 -73.401 -23.523 1.00 0.00 H +ATOM 4775 N MET A 327 1.658 -71.569 -23.099 1.00 61.06 N +ATOM 4776 CA MET A 327 0.786 -71.857 -24.228 1.00 56.62 C +ATOM 4777 C MET A 327 1.622 -71.711 -25.491 1.00 59.26 C +ATOM 4778 O MET A 327 2.058 -70.603 -25.826 1.00 52.99 O +ATOM 4779 CB MET A 327 -0.411 -70.906 -24.230 1.00 54.57 C +ATOM 4780 CG MET A 327 -1.112 -70.831 -22.901 1.00 44.38 C +ATOM 4781 SD MET A 327 -2.003 -72.364 -22.622 1.00 61.09 S +ATOM 4782 CE MET A 327 -3.441 -71.955 -23.557 1.00 66.71 C +ATOM 4783 H MET A 327 1.924 -70.605 -22.960 1.00 0.00 H +ATOM 4784 HA MET A 327 0.428 -72.884 -24.152 1.00 0.00 H +ATOM 4785 HB3 MET A 327 -1.120 -71.219 -24.996 1.00 0.00 H +ATOM 4786 HB2 MET A 327 -0.081 -69.909 -24.522 1.00 0.00 H +ATOM 4787 HG3 MET A 327 -1.815 -69.998 -22.908 1.00 0.00 H +ATOM 4788 HG2 MET A 327 -0.376 -70.690 -22.110 1.00 0.00 H +ATOM 4789 HE1 MET A 327 -4.147 -72.785 -23.521 1.00 0.00 H +ATOM 4790 HE2 MET A 327 -3.907 -71.064 -23.137 1.00 0.00 H +ATOM 4791 HE3 MET A 327 -3.159 -71.763 -24.592 1.00 0.00 H +ATOM 4792 N ALA A 328 1.848 -72.824 -26.179 1.00 60.73 N +ATOM 4793 CA ALA A 328 2.713 -72.873 -27.349 1.00 57.79 C +ATOM 4794 C ALA A 328 1.875 -72.753 -28.620 1.00 51.06 C +ATOM 4795 O ALA A 328 1.069 -73.639 -28.911 1.00 63.41 O +ATOM 4796 CB ALA A 328 3.514 -74.175 -27.344 1.00 49.33 C +ATOM 4797 H ALA A 328 1.411 -73.690 -25.897 1.00 0.00 H +ATOM 4798 HA ALA A 328 3.408 -72.034 -27.307 1.00 0.00 H +ATOM 4799 HB1 ALA A 328 4.160 -74.208 -28.221 1.00 0.00 H +ATOM 4800 HB2 ALA A 328 4.124 -74.223 -26.442 1.00 0.00 H +ATOM 4801 HB3 ALA A 328 2.830 -75.023 -27.365 1.00 0.00 H +ATOM 4802 N PHE A 329 2.077 -71.674 -29.379 1.00 60.13 N +ATOM 4803 CA PHE A 329 1.299 -71.422 -30.592 1.00 64.63 C +ATOM 4804 C PHE A 329 1.866 -72.186 -31.791 1.00 62.09 C +ATOM 4805 O PHE A 329 3.053 -72.507 -31.848 1.00 63.22 O +ATOM 4806 CB PHE A 329 1.274 -69.924 -30.930 1.00 59.54 C +ATOM 4807 CG PHE A 329 0.775 -69.029 -29.811 1.00 61.88 C +ATOM 4808 CD1 PHE A 329 -0.052 -69.518 -28.808 1.00 57.36 C +ATOM 4809 CE1 PHE A 329 -0.501 -68.689 -27.793 1.00 51.06 C +ATOM 4810 CZ PHE A 329 -0.128 -67.351 -27.770 1.00 58.31 C +ATOM 4811 CE2 PHE A 329 0.694 -66.848 -28.761 1.00 53.46 C +ATOM 4812 CD2 PHE A 329 1.138 -67.682 -29.779 1.00 52.71 C +ATOM 4813 H PHE A 329 2.785 -71.001 -29.122 1.00 0.00 H +ATOM 4814 HA PHE A 329 0.275 -71.755 -30.422 1.00 0.00 H +ATOM 4815 HB3 PHE A 329 0.663 -69.765 -31.819 1.00 0.00 H +ATOM 4816 HB2 PHE A 329 2.272 -69.605 -31.229 1.00 0.00 H +ATOM 4817 HD1 PHE A 329 -0.352 -70.555 -28.814 1.00 0.00 H +ATOM 4818 HE1 PHE A 329 -1.142 -69.083 -27.018 1.00 0.00 H +ATOM 4819 HZ PHE A 329 -0.480 -66.706 -26.979 1.00 0.00 H +ATOM 4820 HE2 PHE A 329 0.989 -65.809 -28.742 1.00 0.00 H +ATOM 4821 HD2 PHE A 329 1.772 -67.275 -30.553 1.00 0.00 H +ATOM 4822 N GLY A 330 1.004 -72.459 -32.766 1.00 66.61 N +ATOM 4823 CA GLY A 330 1.418 -73.091 -34.003 1.00 52.50 C +ATOM 4824 C GLY A 330 0.365 -72.915 -35.080 1.00 66.93 C +ATOM 4825 O GLY A 330 -0.580 -72.137 -34.928 1.00 79.43 O +ATOM 4826 H GLY A 330 0.028 -72.225 -32.657 1.00 0.00 H +ATOM 4827 HA3 GLY A 330 1.585 -74.154 -33.829 1.00 0.00 H +ATOM 4828 HA2 GLY A 330 2.357 -72.651 -34.339 1.00 0.00 H +ATOM 4829 N PHE A 331 0.520 -73.670 -36.170 1.00 76.75 N +ATOM 4830 CA PHE A 331 -0.433 -73.586 -37.281 1.00 76.90 C +ATOM 4831 C PHE A 331 -0.322 -74.839 -38.142 1.00 77.92 C +ATOM 4832 O PHE A 331 0.689 -75.033 -38.826 1.00 75.95 O +ATOM 4833 CB PHE A 331 -0.185 -72.330 -38.107 1.00 72.75 C +ATOM 4834 CG PHE A 331 -1.298 -72.000 -39.058 1.00 65.03 C +ATOM 4835 CD1 PHE A 331 -2.534 -71.576 -38.577 1.00 62.09 C +ATOM 4836 CE1 PHE A 331 -3.566 -71.254 -39.454 1.00 67.84 C +ATOM 4837 CZ PHE A 331 -3.366 -71.354 -40.832 1.00 60.60 C +ATOM 4838 CE2 PHE A 331 -2.137 -71.772 -41.320 1.00 60.36 C +ATOM 4839 CD2 PHE A 331 -1.105 -72.084 -40.432 1.00 60.38 C +ATOM 4840 H PHE A 331 1.300 -74.308 -36.236 1.00 0.00 H +ATOM 4841 HA PHE A 331 -1.441 -73.537 -36.870 1.00 0.00 H +ATOM 4842 HB3 PHE A 331 0.745 -72.441 -38.664 1.00 0.00 H +ATOM 4843 HB2 PHE A 331 -0.018 -71.485 -37.439 1.00 0.00 H +ATOM 4844 HD1 PHE A 331 -2.700 -71.494 -37.513 1.00 0.00 H +ATOM 4845 HE1 PHE A 331 -4.520 -70.927 -39.068 1.00 0.00 H +ATOM 4846 HZ PHE A 331 -4.167 -71.106 -41.513 1.00 0.00 H +ATOM 4847 HE2 PHE A 331 -1.979 -71.856 -42.385 1.00 0.00 H +ATOM 4848 HD2 PHE A 331 -0.148 -72.394 -40.825 1.00 0.00 H +ATOM 4849 N ALA A 332 -1.374 -75.662 -38.132 1.00 76.90 N +ATOM 4850 CA ALA A 332 -1.373 -76.937 -38.836 1.00 80.17 C +ATOM 4851 C ALA A 332 -2.078 -76.840 -40.184 1.00 85.33 C +ATOM 4852 O ALA A 332 -1.563 -76.203 -41.108 1.00 92.39 O +ATOM 4853 CB ALA A 332 -2.028 -78.020 -37.977 1.00 86.91 C +ATOM 4854 H ALA A 332 -2.209 -75.408 -37.624 1.00 0.00 H +ATOM 4855 HA ALA A 332 -0.337 -77.225 -39.015 1.00 0.00 H +ATOM 4856 HB1 ALA A 332 -2.020 -78.967 -38.517 1.00 0.00 H +ATOM 4857 HB2 ALA A 332 -1.474 -78.129 -37.044 1.00 0.00 H +ATOM 4858 HB3 ALA A 332 -3.057 -77.737 -37.757 1.00 0.00 H +ATOM 4859 N GLY A 333 -3.241 -77.480 -40.312 1.00 77.87 N +ATOM 4860 CA GLY A 333 -3.945 -77.537 -41.581 1.00 77.68 C +ATOM 4861 C GLY A 333 -4.346 -76.166 -42.080 1.00 84.09 C +ATOM 4862 O GLY A 333 -3.534 -75.441 -42.663 1.00 93.63 O +ATOM 4863 H GLY A 333 -3.654 -77.941 -39.514 1.00 0.00 H +ATOM 4864 HA3 GLY A 333 -4.834 -78.158 -41.474 1.00 0.00 H +ATOM 4865 HA2 GLY A 333 -3.313 -78.023 -42.325 1.00 0.00 H +ATOM 4866 N GLY A 334 -5.605 -75.807 -41.882 1.00 74.67 N +ATOM 4867 CA GLY A 334 -5.983 -74.418 -41.995 1.00 67.33 C +ATOM 4868 C GLY A 334 -6.195 -73.834 -40.614 1.00 72.72 C +ATOM 4869 O GLY A 334 -6.878 -72.817 -40.465 1.00 69.18 O +ATOM 4870 H GLY A 334 -6.299 -76.504 -41.652 1.00 0.00 H +ATOM 4871 HA3 GLY A 334 -6.907 -74.339 -42.568 1.00 0.00 H +ATOM 4872 HA2 GLY A 334 -5.193 -73.867 -42.505 1.00 0.00 H +ATOM 4873 N ARG A 335 -5.590 -74.463 -39.601 1.00 73.46 N +ATOM 4874 CA ARG A 335 -5.995 -74.311 -38.209 1.00 72.28 C +ATOM 4875 C ARG A 335 -4.848 -73.813 -37.342 1.00 69.11 C +ATOM 4876 O ARG A 335 -3.693 -74.205 -37.538 1.00 74.84 O +ATOM 4877 CB ARG A 335 -6.487 -75.644 -37.635 1.00 65.45 C +ATOM 4878 CG ARG A 335 -7.318 -76.482 -38.588 1.00 70.42 C +ATOM 4879 CD ARG A 335 -8.768 -76.050 -38.591 1.00 71.46 C +ATOM 4880 NE ARG A 335 -9.266 -75.865 -37.237 1.00 76.44 N +ATOM 4881 CZ ARG A 335 -10.551 -75.879 -36.904 1.00 82.89 C +ATOM 4882 NH1 ARG A 335 -11.479 -76.087 -37.832 1.00 87.37 N +ATOM 4883 NH2 ARG A 335 -10.906 -75.694 -35.640 1.00 78.66 N1+ +ATOM 4884 H ARG A 335 -4.811 -75.080 -39.783 1.00 0.00 H +ATOM 4885 HA ARG A 335 -6.809 -73.588 -38.159 1.00 0.00 H +ATOM 4886 HB3 ARG A 335 -7.060 -75.456 -36.727 1.00 0.00 H +ATOM 4887 HB2 ARG A 335 -5.632 -76.227 -37.294 1.00 0.00 H +ATOM 4888 HG3 ARG A 335 -7.253 -77.531 -38.300 1.00 0.00 H +ATOM 4889 HG2 ARG A 335 -6.912 -76.395 -39.596 1.00 0.00 H +ATOM 4890 HD3 ARG A 335 -9.370 -76.803 -39.099 1.00 0.00 H +ATOM 4891 HD2 ARG A 335 -8.867 -75.116 -39.145 1.00 0.00 H +ATOM 4892 HE ARG A 335 -8.562 -75.719 -36.528 1.00 0.00 H +ATOM 4893 HH12 ARG A 335 -12.456 -76.097 -37.576 1.00 0.00 H +ATOM 4894 HH11 ARG A 335 -11.207 -76.235 -38.793 1.00 0.00 H +ATOM 4895 HH22 ARG A 335 -11.883 -75.704 -35.383 1.00 0.00 H +ATOM 4896 HH21 ARG A 335 -10.200 -75.543 -34.934 1.00 0.00 H +ATOM 4897 N PHE A 336 -5.181 -72.966 -36.366 1.00 59.21 N +ATOM 4898 CA PHE A 336 -4.239 -72.622 -35.310 1.00 63.84 C +ATOM 4899 C PHE A 336 -4.203 -73.711 -34.247 1.00 65.42 C +ATOM 4900 O PHE A 336 -5.161 -74.469 -34.066 1.00 57.19 O +ATOM 4901 CB PHE A 336 -4.611 -71.307 -34.633 1.00 62.15 C +ATOM 4902 CG PHE A 336 -4.182 -70.097 -35.387 1.00 50.48 C +ATOM 4903 CD1 PHE A 336 -2.925 -69.541 -35.175 1.00 53.55 C +ATOM 4904 CE1 PHE A 336 -2.522 -68.411 -35.875 1.00 50.80 C +ATOM 4905 CZ PHE A 336 -3.388 -67.826 -36.788 1.00 56.91 C +ATOM 4906 CE2 PHE A 336 -4.650 -68.374 -37.001 1.00 51.54 C +ATOM 4907 CD2 PHE A 336 -5.037 -69.508 -36.304 1.00 43.81 C +ATOM 4908 H PHE A 336 -6.101 -72.550 -36.350 1.00 0.00 H +ATOM 4909 HA PHE A 336 -3.245 -72.524 -35.745 1.00 0.00 H +ATOM 4910 HB3 PHE A 336 -4.180 -71.281 -33.632 1.00 0.00 H +ATOM 4911 HB2 PHE A 336 -5.689 -71.273 -34.478 1.00 0.00 H +ATOM 4912 HD1 PHE A 336 -2.250 -69.988 -34.460 1.00 0.00 H +ATOM 4913 HE1 PHE A 336 -1.540 -67.993 -35.707 1.00 0.00 H +ATOM 4914 HZ PHE A 336 -3.083 -66.945 -37.334 1.00 0.00 H +ATOM 4915 HE2 PHE A 336 -5.325 -67.916 -37.708 1.00 0.00 H +ATOM 4916 HD2 PHE A 336 -6.014 -69.932 -36.481 1.00 0.00 H +ATOM 4917 N THR A 337 -3.083 -73.763 -33.520 1.00 66.83 N +ATOM 4918 CA THR A 337 -2.909 -74.690 -32.413 1.00 64.47 C +ATOM 4919 C THR A 337 -2.261 -74.017 -31.209 1.00 60.75 C +ATOM 4920 O THR A 337 -1.425 -73.112 -31.338 1.00 47.91 O +ATOM 4921 CB THR A 337 -2.067 -75.903 -32.805 1.00 63.29 C +ATOM 4922 OG1 THR A 337 -1.573 -76.524 -31.622 1.00 77.50 O +ATOM 4923 CG2 THR A 337 -0.917 -75.497 -33.636 1.00 60.95 C +ATOM 4924 H THR A 337 -2.315 -73.142 -33.731 1.00 0.00 H +ATOM 4925 HA THR A 337 -3.894 -75.046 -32.112 1.00 0.00 H +ATOM 4926 HB THR A 337 -2.684 -76.611 -33.358 1.00 0.00 H +ATOM 4927 HG1 THR A 337 -2.282 -76.599 -30.979 1.00 0.00 H +ATOM 4928 HG21 THR A 337 -0.332 -76.377 -33.903 1.00 0.00 H +ATOM 4929 HG22 THR A 337 -1.277 -75.012 -34.543 1.00 0.00 H +ATOM 4930 HG23 THR A 337 -0.291 -74.802 -33.077 1.00 0.00 H +ATOM 4931 N ILE A 338 -2.665 -74.487 -30.030 1.00 60.30 N +ATOM 4932 CA ILE A 338 -2.022 -74.165 -28.760 1.00 61.03 C +ATOM 4933 C ILE A 338 -1.681 -75.486 -28.080 1.00 62.37 C +ATOM 4934 O ILE A 338 -2.570 -76.319 -27.856 1.00 48.26 O +ATOM 4935 CB ILE A 338 -2.917 -73.305 -27.852 1.00 60.64 C +ATOM 4936 CG1 ILE A 338 -3.092 -71.907 -28.441 1.00 66.17 C +ATOM 4937 CD1 ILE A 338 -4.058 -71.032 -27.673 1.00 61.16 C +ATOM 4938 CG2 ILE A 338 -2.312 -73.213 -26.481 1.00 65.97 C +ATOM 4939 H ILE A 338 -3.462 -75.106 -29.979 1.00 0.00 H +ATOM 4940 HA ILE A 338 -1.098 -73.623 -28.960 1.00 0.00 H +ATOM 4941 HB ILE A 338 -3.896 -73.778 -27.773 1.00 0.00 H +ATOM 4942 HG13 ILE A 338 -3.424 -71.990 -29.476 1.00 0.00 H +ATOM 4943 HG12 ILE A 338 -2.122 -71.413 -28.495 1.00 0.00 H +ATOM 4944 HD11 ILE A 338 -4.127 -70.057 -28.154 1.00 0.00 H +ATOM 4945 HD12 ILE A 338 -5.042 -71.501 -27.660 1.00 0.00 H +ATOM 4946 HD13 ILE A 338 -3.702 -70.907 -26.650 1.00 0.00 H +ATOM 4947 HG21 ILE A 338 -2.950 -72.603 -25.842 1.00 0.00 H +ATOM 4948 HG22 ILE A 338 -2.222 -74.212 -26.055 1.00 0.00 H +ATOM 4949 HG23 ILE A 338 -1.324 -72.757 -26.549 1.00 0.00 H +ATOM 4950 N ASN A 339 -0.400 -75.676 -27.755 1.00 66.23 N +ATOM 4951 CA ASN A 339 0.099 -76.961 -27.276 1.00 65.35 C +ATOM 4952 C ASN A 339 -0.451 -78.114 -28.107 1.00 59.12 C +ATOM 4953 O ASN A 339 -0.810 -79.163 -27.566 1.00 68.16 O +ATOM 4954 CB ASN A 339 -0.248 -77.168 -25.805 1.00 64.81 C +ATOM 4955 CG ASN A 339 0.332 -76.092 -24.918 1.00 74.72 C +ATOM 4956 OD1 ASN A 339 1.455 -75.628 -25.132 1.00 71.64 O +ATOM 4957 ND2 ASN A 339 -0.436 -75.681 -23.913 1.00 79.63 N +ATOM 4958 H ASN A 339 0.260 -74.916 -27.837 1.00 0.00 H +ATOM 4959 HA ASN A 339 1.185 -76.961 -27.372 1.00 0.00 H +ATOM 4960 HB3 ASN A 339 0.118 -78.142 -25.480 1.00 0.00 H +ATOM 4961 HB2 ASN A 339 -1.331 -77.189 -25.688 1.00 0.00 H +ATOM 4962 HD22 ASN A 339 -0.104 -74.963 -23.285 1.00 0.00 H +ATOM 4963 HD21 ASN A 339 -1.351 -76.086 -23.778 1.00 0.00 H +ATOM 4964 N GLY A 340 -0.549 -77.923 -29.416 1.00 47.19 N +ATOM 4965 CA GLY A 340 -0.867 -79.020 -30.303 1.00 56.94 C +ATOM 4966 C GLY A 340 -2.338 -79.242 -30.552 1.00 62.87 C +ATOM 4967 O GLY A 340 -2.686 -80.093 -31.378 1.00 68.02 O +ATOM 4968 H GLY A 340 -0.401 -77.003 -29.805 1.00 0.00 H +ATOM 4969 HA3 GLY A 340 -0.425 -79.937 -29.914 1.00 0.00 H +ATOM 4970 HA2 GLY A 340 -0.359 -78.872 -31.256 1.00 0.00 H +ATOM 4971 N ALA A 341 -3.216 -78.512 -29.876 1.00 61.23 N +ATOM 4972 CA ALA A 341 -4.646 -78.670 -30.066 1.00 57.10 C +ATOM 4973 C ALA A 341 -5.193 -77.488 -30.845 1.00 63.29 C +ATOM 4974 O ALA A 341 -4.902 -76.330 -30.525 1.00 61.13 O +ATOM 4975 CB ALA A 341 -5.379 -78.796 -28.732 1.00 49.23 C +ATOM 4976 H ALA A 341 -2.895 -77.825 -29.209 1.00 0.00 H +ATOM 4977 HA ALA A 341 -4.821 -79.577 -30.645 1.00 0.00 H +ATOM 4978 HB1 ALA A 341 -6.447 -78.913 -28.914 1.00 0.00 H +ATOM 4979 HB2 ALA A 341 -5.005 -79.666 -28.192 1.00 0.00 H +ATOM 4980 HB3 ALA A 341 -5.208 -77.899 -28.137 1.00 0.00 H +ATOM 4981 N SER A 342 -5.970 -77.788 -31.872 1.00 63.77 N +ATOM 4982 CA SER A 342 -6.830 -76.806 -32.498 1.00 63.53 C +ATOM 4983 C SER A 342 -8.209 -76.929 -31.863 1.00 66.38 C +ATOM 4984 O SER A 342 -8.748 -78.035 -31.761 1.00 65.98 O +ATOM 4985 CB SER A 342 -6.896 -77.037 -34.009 1.00 50.06 C +ATOM 4986 OG SER A 342 -7.506 -75.933 -34.649 1.00 57.54 O +ATOM 4987 H SER A 342 -5.976 -78.727 -32.244 1.00 0.00 H +ATOM 4988 HA SER A 342 -6.435 -75.809 -32.305 1.00 0.00 H +ATOM 4989 HB3 SER A 342 -7.473 -77.939 -34.213 1.00 0.00 H +ATOM 4990 HB2 SER A 342 -5.888 -77.172 -34.400 1.00 0.00 H +ATOM 4991 HG SER A 342 -6.995 -75.140 -34.476 1.00 0.00 H +ATOM 4992 N PHE A 343 -8.769 -75.801 -31.420 1.00 72.53 N +ATOM 4993 CA PHE A 343 -10.089 -75.831 -30.796 1.00 74.81 C +ATOM 4994 C PHE A 343 -11.171 -76.083 -31.839 1.00 68.81 C +ATOM 4995 O PHE A 343 -11.359 -75.281 -32.761 1.00 61.91 O +ATOM 4996 CB PHE A 343 -10.387 -74.528 -30.058 1.00 69.10 C +ATOM 4997 CG PHE A 343 -11.709 -74.548 -29.346 1.00 70.99 C +ATOM 4998 CD1 PHE A 343 -12.869 -74.119 -29.981 1.00 72.95 C +ATOM 4999 CE1 PHE A 343 -14.090 -74.171 -29.337 1.00 65.30 C +ATOM 5000 CZ PHE A 343 -14.163 -74.654 -28.047 1.00 68.69 C +ATOM 5001 CE2 PHE A 343 -13.013 -75.098 -27.407 1.00 67.52 C +ATOM 5002 CD2 PHE A 343 -11.801 -75.049 -28.058 1.00 66.34 C +ATOM 5003 H PHE A 343 -8.280 -74.923 -31.516 1.00 0.00 H +ATOM 5004 HA PHE A 343 -10.110 -76.648 -30.074 1.00 0.00 H +ATOM 5005 HB3 PHE A 343 -10.369 -73.699 -30.765 1.00 0.00 H +ATOM 5006 HB2 PHE A 343 -9.592 -74.329 -29.340 1.00 0.00 H +ATOM 5007 HD1 PHE A 343 -12.823 -73.739 -30.991 1.00 0.00 H +ATOM 5008 HE1 PHE A 343 -14.982 -73.834 -29.844 1.00 0.00 H +ATOM 5009 HZ PHE A 343 -15.114 -74.687 -27.536 1.00 0.00 H +ATOM 5010 HE2 PHE A 343 -13.070 -75.482 -26.399 1.00 0.00 H +ATOM 5011 HD2 PHE A 343 -10.916 -75.407 -27.553 1.00 0.00 H +ATOM 5012 N THR A 344 -11.910 -77.176 -31.675 1.00 75.26 N +ATOM 5013 CA THR A 344 -13.093 -77.407 -32.486 1.00 69.40 C +ATOM 5014 C THR A 344 -14.317 -77.339 -31.592 1.00 63.90 C +ATOM 5015 O THR A 344 -14.364 -78.050 -30.579 1.00 65.46 O +ATOM 5016 CB THR A 344 -13.014 -78.754 -33.191 1.00 70.85 C +ATOM 5017 OG1 THR A 344 -12.154 -78.624 -34.326 1.00 80.27 O +ATOM 5018 CG2 THR A 344 -14.387 -79.203 -33.653 1.00 70.97 C +ATOM 5019 H THR A 344 -11.652 -77.860 -30.979 1.00 0.00 H +ATOM 5020 HA THR A 344 -13.163 -76.621 -33.238 1.00 0.00 H +ATOM 5021 HB THR A 344 -12.602 -79.496 -32.508 1.00 0.00 H +ATOM 5022 HG1 THR A 344 -11.279 -78.355 -34.036 1.00 0.00 H +ATOM 5023 HG21 THR A 344 -14.305 -80.168 -34.154 1.00 0.00 H +ATOM 5024 HG22 THR A 344 -15.048 -79.296 -32.792 1.00 0.00 H +ATOM 5025 HG23 THR A 344 -14.796 -78.468 -34.346 1.00 0.00 H +ATOM 5026 N PRO A 345 -15.297 -76.488 -31.889 1.00 67.07 N +ATOM 5027 CA PRO A 345 -16.465 -76.378 -31.024 1.00 62.15 C +ATOM 5028 C PRO A 345 -17.109 -77.736 -30.827 1.00 60.61 C +ATOM 5029 O PRO A 345 -17.341 -78.467 -31.800 1.00 69.80 O +ATOM 5030 CB PRO A 345 -17.393 -75.420 -31.790 1.00 57.94 C +ATOM 5031 CG PRO A 345 -16.888 -75.419 -33.179 1.00 63.02 C +ATOM 5032 CD PRO A 345 -15.408 -75.611 -33.065 1.00 57.64 C +ATOM 5033 HA PRO A 345 -16.186 -75.948 -30.062 1.00 0.00 H +ATOM 5034 HB3 PRO A 345 -17.303 -74.418 -31.372 1.00 0.00 H +ATOM 5035 HB2 PRO A 345 -18.410 -75.813 -31.775 1.00 0.00 H +ATOM 5036 HG3 PRO A 345 -17.093 -74.452 -33.638 1.00 0.00 H +ATOM 5037 HG2 PRO A 345 -17.321 -76.259 -33.722 1.00 0.00 H +ATOM 5038 HD2 PRO A 345 -15.047 -76.143 -33.945 1.00 0.00 H +ATOM 5039 HD3 PRO A 345 -14.938 -74.653 -32.844 1.00 0.00 H +ATOM 5040 N PRO A 346 -17.368 -78.123 -29.582 1.00 52.50 N +ATOM 5041 CA PRO A 346 -17.957 -79.433 -29.316 1.00 48.61 C +ATOM 5042 C PRO A 346 -19.464 -79.412 -29.517 1.00 62.27 C +ATOM 5043 O PRO A 346 -20.119 -78.369 -29.452 1.00 61.19 O +ATOM 5044 CB PRO A 346 -17.608 -79.667 -27.844 1.00 47.52 C +ATOM 5045 CG PRO A 346 -17.704 -78.286 -27.254 1.00 43.94 C +ATOM 5046 CD PRO A 346 -17.130 -77.367 -28.336 1.00 49.36 C +ATOM 5047 HA PRO A 346 -17.497 -80.195 -29.945 1.00 0.00 H +ATOM 5048 HB3 PRO A 346 -16.579 -80.019 -27.770 1.00 0.00 H +ATOM 5049 HB2 PRO A 346 -18.367 -80.305 -27.392 1.00 0.00 H +ATOM 5050 HG3 PRO A 346 -17.078 -78.230 -26.363 1.00 0.00 H +ATOM 5051 HG2 PRO A 346 -18.752 -78.037 -27.087 1.00 0.00 H +ATOM 5052 HD2 PRO A 346 -17.703 -76.440 -28.362 1.00 0.00 H +ATOM 5053 HD3 PRO A 346 -16.057 -77.256 -28.182 1.00 0.00 H +ATOM 5054 N THR A 347 -20.008 -80.602 -29.765 1.00 68.15 N +ATOM 5055 CA THR A 347 -21.454 -80.745 -29.899 1.00 70.17 C +ATOM 5056 C THR A 347 -22.172 -80.264 -28.642 1.00 62.11 C +ATOM 5057 O THR A 347 -23.034 -79.380 -28.701 1.00 69.38 O +ATOM 5058 CB THR A 347 -21.792 -82.204 -30.205 1.00 78.99 C +ATOM 5059 OG1 THR A 347 -21.067 -83.054 -29.305 1.00 86.94 O +ATOM 5060 CG2 THR A 347 -21.386 -82.550 -31.627 1.00 70.99 C +ATOM 5061 H THR A 347 -19.419 -81.416 -29.862 1.00 0.00 H +ATOM 5062 HA THR A 347 -21.783 -80.133 -30.738 1.00 0.00 H +ATOM 5063 HB THR A 347 -22.863 -82.366 -30.080 1.00 0.00 H +ATOM 5064 HG1 THR A 347 -21.276 -83.972 -29.493 1.00 0.00 H +ATOM 5065 HG21 THR A 347 -21.632 -83.592 -31.832 1.00 0.00 H +ATOM 5066 HG22 THR A 347 -21.921 -81.906 -32.325 1.00 0.00 H +ATOM 5067 HG23 THR A 347 -20.313 -82.401 -31.746 1.00 0.00 H +ATOM 5068 N VAL A 348 -21.823 -80.829 -27.492 1.00 68.31 N +ATOM 5069 CA VAL A 348 -22.408 -80.428 -26.215 1.00 61.00 C +ATOM 5070 C VAL A 348 -21.518 -79.344 -25.625 1.00 55.57 C +ATOM 5071 O VAL A 348 -20.310 -79.569 -25.486 1.00 63.99 O +ATOM 5072 CB VAL A 348 -22.539 -81.626 -25.262 1.00 60.02 C +ATOM 5073 CG1 VAL A 348 -23.107 -81.194 -23.911 1.00 57.74 C +ATOM 5074 CG2 VAL A 348 -23.413 -82.690 -25.894 1.00 58.08 C +ATOM 5075 H VAL A 348 -21.130 -81.564 -27.480 1.00 0.00 H +ATOM 5076 HA VAL A 348 -23.399 -80.011 -26.396 1.00 0.00 H +ATOM 5077 HB VAL A 348 -21.547 -82.047 -25.100 1.00 0.00 H +ATOM 5078 HG11 VAL A 348 -23.189 -82.062 -23.256 1.00 0.00 H +ATOM 5079 HG12 VAL A 348 -22.444 -80.458 -23.456 1.00 0.00 H +ATOM 5080 HG13 VAL A 348 -24.094 -80.754 -24.055 1.00 0.00 H +ATOM 5081 HG21 VAL A 348 -23.503 -83.538 -25.215 1.00 0.00 H +ATOM 5082 HG22 VAL A 348 -24.402 -82.278 -26.093 1.00 0.00 H +ATOM 5083 HG23 VAL A 348 -22.963 -83.021 -26.830 1.00 0.00 H +ATOM 5084 N PRO A 349 -22.047 -78.165 -25.287 1.00 53.96 N +ATOM 5085 CA PRO A 349 -21.177 -77.100 -24.772 1.00 54.68 C +ATOM 5086 C PRO A 349 -20.540 -77.536 -23.467 1.00 53.98 C +ATOM 5087 O PRO A 349 -21.167 -78.221 -22.656 1.00 55.99 O +ATOM 5088 CB PRO A 349 -22.127 -75.911 -24.569 1.00 48.03 C +ATOM 5089 CG PRO A 349 -23.398 -76.280 -25.340 1.00 49.84 C +ATOM 5090 CD PRO A 349 -23.467 -77.770 -25.283 1.00 51.31 C +ATOM 5091 HA PRO A 349 -20.409 -76.851 -25.504 1.00 0.00 H +ATOM 5092 HB3 PRO A 349 -21.685 -75.016 -25.008 1.00 0.00 H +ATOM 5093 HB2 PRO A 349 -22.363 -75.813 -23.509 1.00 0.00 H +ATOM 5094 HG3 PRO A 349 -23.296 -75.962 -26.378 1.00 0.00 H +ATOM 5095 HG2 PRO A 349 -24.265 -75.858 -24.831 1.00 0.00 H +ATOM 5096 HD2 PRO A 349 -23.922 -78.073 -24.340 1.00 0.00 H +ATOM 5097 HD3 PRO A 349 -23.946 -78.143 -26.188 1.00 0.00 H +ATOM 5098 N VAL A 350 -19.286 -77.112 -23.285 1.00 51.39 N +ATOM 5099 CA VAL A 350 -18.463 -77.528 -22.151 1.00 57.81 C +ATOM 5100 C VAL A 350 -19.243 -77.449 -20.845 1.00 65.66 C +ATOM 5101 O VAL A 350 -19.358 -78.440 -20.109 1.00 63.39 O +ATOM 5102 CB VAL A 350 -17.186 -76.672 -22.082 1.00 57.21 C +ATOM 5103 CG1 VAL A 350 -16.262 -77.183 -20.983 1.00 59.10 C +ATOM 5104 CG2 VAL A 350 -16.487 -76.623 -23.446 1.00 54.51 C +ATOM 5105 H VAL A 350 -18.867 -76.475 -23.948 1.00 0.00 H +ATOM 5106 HA VAL A 350 -18.168 -78.566 -22.308 1.00 0.00 H +ATOM 5107 HB VAL A 350 -17.481 -75.655 -21.823 1.00 0.00 H +ATOM 5108 HG11 VAL A 350 -15.364 -76.567 -20.947 1.00 0.00 H +ATOM 5109 HG12 VAL A 350 -16.775 -77.132 -20.023 1.00 0.00 H +ATOM 5110 HG13 VAL A 350 -15.985 -78.216 -21.192 1.00 0.00 H +ATOM 5111 HG21 VAL A 350 -15.587 -76.012 -23.372 1.00 0.00 H +ATOM 5112 HG22 VAL A 350 -16.216 -77.633 -23.752 1.00 0.00 H +ATOM 5113 HG23 VAL A 350 -17.161 -76.189 -24.185 1.00 0.00 H +ATOM 5114 N LEU A 351 -19.778 -76.259 -20.531 1.00 59.52 N +ATOM 5115 CA LEU A 351 -20.482 -76.066 -19.267 1.00 60.36 C +ATOM 5116 C LEU A 351 -21.570 -77.112 -19.059 1.00 60.68 C +ATOM 5117 O LEU A 351 -21.818 -77.538 -17.926 1.00 66.14 O +ATOM 5118 CB LEU A 351 -21.085 -74.667 -19.203 1.00 67.13 C +ATOM 5119 CG LEU A 351 -21.940 -74.451 -17.950 1.00 73.65 C +ATOM 5120 CD1 LEU A 351 -21.091 -74.639 -16.697 1.00 67.78 C +ATOM 5121 CD2 LEU A 351 -22.595 -73.080 -17.968 1.00 74.12 C +ATOM 5122 H LEU A 351 -19.696 -75.483 -21.173 1.00 0.00 H +ATOM 5123 HA LEU A 351 -19.759 -76.162 -18.457 1.00 0.00 H +ATOM 5124 HB3 LEU A 351 -21.693 -74.494 -20.091 1.00 0.00 H +ATOM 5125 HB2 LEU A 351 -20.286 -73.926 -19.228 1.00 0.00 H +ATOM 5126 HG LEU A 351 -22.728 -75.204 -17.943 1.00 0.00 H +ATOM 5127 HD11 LEU A 351 -21.708 -74.483 -15.812 1.00 0.00 H +ATOM 5128 HD12 LEU A 351 -20.684 -75.650 -16.682 1.00 0.00 H +ATOM 5129 HD13 LEU A 351 -20.273 -73.918 -16.700 1.00 0.00 H +ATOM 5130 HD21 LEU A 351 -23.196 -72.952 -17.068 1.00 0.00 H +ATOM 5131 HD22 LEU A 351 -21.825 -72.309 -18.003 1.00 0.00 H +ATOM 5132 HD23 LEU A 351 -23.234 -72.994 -18.846 1.00 0.00 H +ATOM 5133 N LEU A 352 -22.211 -77.557 -20.137 1.00 65.97 N +ATOM 5134 CA LEU A 352 -23.213 -78.605 -20.017 1.00 69.39 C +ATOM 5135 C LEU A 352 -22.581 -79.976 -19.810 1.00 62.10 C +ATOM 5136 O LEU A 352 -23.180 -80.826 -19.141 1.00 69.09 O +ATOM 5137 CB LEU A 352 -24.113 -78.597 -21.252 1.00 60.35 C +ATOM 5138 CG LEU A 352 -25.223 -79.632 -21.412 1.00 47.24 C +ATOM 5139 CD1 LEU A 352 -26.056 -79.844 -20.132 1.00 44.69 C +ATOM 5140 CD2 LEU A 352 -26.116 -79.147 -22.536 1.00 42.72 C +ATOM 5141 H LEU A 352 -22.003 -77.167 -21.045 1.00 0.00 H +ATOM 5142 HA LEU A 352 -23.831 -78.383 -19.147 1.00 0.00 H +ATOM 5143 HB3 LEU A 352 -23.487 -78.610 -22.145 1.00 0.00 H +ATOM 5144 HB2 LEU A 352 -24.539 -77.601 -21.371 1.00 0.00 H +ATOM 5145 HG LEU A 352 -24.777 -80.583 -21.703 1.00 0.00 H +ATOM 5146 HD11 LEU A 352 -26.826 -80.593 -20.319 1.00 0.00 H +ATOM 5147 HD12 LEU A 352 -25.405 -80.186 -19.327 1.00 0.00 H +ATOM 5148 HD13 LEU A 352 -26.526 -78.904 -19.844 1.00 0.00 H +ATOM 5149 HD21 LEU A 352 -26.928 -79.858 -22.688 1.00 0.00 H +ATOM 5150 HD22 LEU A 352 -26.530 -78.173 -22.277 1.00 0.00 H +ATOM 5151 HD23 LEU A 352 -25.533 -79.061 -23.453 1.00 0.00 H +ATOM 5152 N GLN A 353 -21.391 -80.212 -20.375 1.00 57.11 N +ATOM 5153 CA GLN A 353 -20.655 -81.439 -20.080 1.00 57.90 C +ATOM 5154 C GLN A 353 -20.340 -81.529 -18.595 1.00 63.42 C +ATOM 5155 O GLN A 353 -20.634 -82.539 -17.947 1.00 62.70 O +ATOM 5156 CB GLN A 353 -19.345 -81.498 -20.870 1.00 52.44 C +ATOM 5157 CG GLN A 353 -19.430 -81.394 -22.371 1.00 60.79 C +ATOM 5158 CD GLN A 353 -18.041 -81.380 -23.003 1.00 61.21 C +ATOM 5159 OE1 GLN A 353 -17.091 -81.928 -22.443 1.00 70.37 O +ATOM 5160 NE2 GLN A 353 -17.918 -80.743 -24.165 1.00 61.15 N +ATOM 5161 H GLN A 353 -20.992 -79.538 -21.013 1.00 0.00 H +ATOM 5162 HA GLN A 353 -21.272 -82.293 -20.360 1.00 0.00 H +ATOM 5163 HB3 GLN A 353 -18.808 -82.409 -20.604 1.00 0.00 H +ATOM 5164 HB2 GLN A 353 -18.667 -80.731 -20.496 1.00 0.00 H +ATOM 5165 HG3 GLN A 353 -19.961 -80.482 -22.642 1.00 0.00 H +ATOM 5166 HG2 GLN A 353 -19.998 -82.238 -22.762 1.00 0.00 H +ATOM 5167 HE22 GLN A 353 -17.021 -80.703 -24.627 1.00 0.00 H +ATOM 5168 HE21 GLN A 353 -18.722 -80.299 -24.585 1.00 0.00 H +ATOM 5169 N ILE A 354 -19.699 -80.486 -18.052 1.00 65.04 N +ATOM 5170 CA ILE A 354 -19.421 -80.426 -16.619 1.00 60.52 C +ATOM 5171 C ILE A 354 -20.689 -80.724 -15.832 1.00 62.44 C +ATOM 5172 O ILE A 354 -20.693 -81.549 -14.913 1.00 73.31 O +ATOM 5173 CB ILE A 354 -18.850 -79.049 -16.233 1.00 73.43 C +ATOM 5174 CG1 ILE A 354 -17.641 -78.687 -17.080 1.00 75.79 C +ATOM 5175 CD1 ILE A 354 -17.065 -77.347 -16.713 1.00 67.75 C +ATOM 5176 CG2 ILE A 354 -18.444 -79.027 -14.766 1.00 84.39 C +ATOM 5177 H ILE A 354 -19.397 -79.719 -18.636 1.00 0.00 H +ATOM 5178 HA ILE A 354 -18.679 -81.187 -16.379 1.00 0.00 H +ATOM 5179 HB ILE A 354 -19.622 -78.296 -16.391 1.00 0.00 H +ATOM 5180 HG13 ILE A 354 -17.924 -78.684 -18.133 1.00 0.00 H +ATOM 5181 HG12 ILE A 354 -16.875 -79.454 -16.965 1.00 0.00 H +ATOM 5182 HD11 ILE A 354 -16.204 -77.135 -17.347 1.00 0.00 H +ATOM 5183 HD12 ILE A 354 -17.820 -76.574 -16.857 1.00 0.00 H +ATOM 5184 HD13 ILE A 354 -16.753 -77.359 -15.669 1.00 0.00 H +ATOM 5185 HG21 ILE A 354 -18.043 -78.045 -14.514 1.00 0.00 H +ATOM 5186 HG22 ILE A 354 -19.315 -79.234 -14.144 1.00 0.00 H +ATOM 5187 HG23 ILE A 354 -17.683 -79.786 -14.588 1.00 0.00 H +ATOM 5188 N LEU A 355 -21.789 -80.052 -16.185 1.00 55.95 N +ATOM 5189 CA LEU A 355 -23.015 -80.243 -15.419 1.00 60.18 C +ATOM 5190 C LEU A 355 -23.529 -81.667 -15.544 1.00 65.65 C +ATOM 5191 O LEU A 355 -24.069 -82.212 -14.575 1.00 58.64 O +ATOM 5192 CB LEU A 355 -24.094 -79.254 -15.853 1.00 51.59 C +ATOM 5193 CG LEU A 355 -23.794 -77.788 -15.516 1.00 60.86 C +ATOM 5194 CD1 LEU A 355 -25.013 -76.933 -15.892 1.00 48.75 C +ATOM 5195 CD2 LEU A 355 -23.357 -77.597 -14.040 1.00 52.83 C +ATOM 5196 H LEU A 355 -21.764 -79.421 -16.974 1.00 0.00 H +ATOM 5197 HA LEU A 355 -22.789 -80.057 -14.369 1.00 0.00 H +ATOM 5198 HB3 LEU A 355 -25.046 -79.539 -15.406 1.00 0.00 H +ATOM 5199 HB2 LEU A 355 -24.262 -79.351 -16.926 1.00 0.00 H +ATOM 5200 HG LEU A 355 -22.964 -77.470 -16.147 1.00 0.00 H +ATOM 5201 HD11 LEU A 355 -24.811 -75.888 -15.657 1.00 0.00 H +ATOM 5202 HD12 LEU A 355 -25.212 -77.033 -16.959 1.00 0.00 H +ATOM 5203 HD13 LEU A 355 -25.882 -77.271 -15.328 1.00 0.00 H +ATOM 5204 HD21 LEU A 355 -23.157 -76.542 -13.853 1.00 0.00 H +ATOM 5205 HD22 LEU A 355 -24.153 -77.938 -13.378 1.00 0.00 H +ATOM 5206 HD23 LEU A 355 -22.454 -78.177 -13.850 1.00 0.00 H +ATOM 5207 N SER A 356 -23.364 -82.281 -16.712 1.00 72.01 N +ATOM 5208 CA SER A 356 -23.704 -83.685 -16.898 1.00 72.77 C +ATOM 5209 C SER A 356 -22.790 -84.559 -16.051 1.00 71.73 C +ATOM 5210 O SER A 356 -23.033 -85.752 -15.894 1.00 81.08 O +ATOM 5211 CB SER A 356 -23.600 -84.084 -18.374 1.00 66.60 C +ATOM 5212 OG SER A 356 -24.605 -83.453 -19.154 1.00 60.52 O +ATOM 5213 H SER A 356 -22.993 -81.772 -17.502 1.00 0.00 H +ATOM 5214 HA SER A 356 -24.732 -83.839 -16.569 1.00 0.00 H +ATOM 5215 HB3 SER A 356 -23.696 -85.166 -18.465 1.00 0.00 H +ATOM 5216 HB2 SER A 356 -22.617 -83.808 -18.756 1.00 0.00 H +ATOM 5217 HG SER A 356 -24.368 -82.535 -19.301 1.00 0.00 H +ATOM 5218 N GLY A 357 -21.836 -84.139 -15.330 1.00 79.02 N +ATOM 5219 CA GLY A 357 -20.977 -85.219 -14.872 1.00 70.58 C +ATOM 5220 C GLY A 357 -19.477 -85.004 -14.954 1.00 78.20 C +ATOM 5221 O GLY A 357 -18.789 -85.053 -13.931 1.00 82.42 O +ATOM 5222 H GLY A 357 -21.628 -83.185 -15.072 1.00 0.00 H +ATOM 5223 HA3 GLY A 357 -21.237 -86.134 -15.404 1.00 0.00 H +ATOM 5224 HA2 GLY A 357 -21.245 -85.480 -13.848 1.00 0.00 H +ATOM 5225 N ALA A 358 -18.960 -84.770 -16.161 1.00 79.13 N +ATOM 5226 CA ALA A 358 -17.519 -84.757 -16.392 1.00 70.19 C +ATOM 5227 C ALA A 358 -16.822 -83.701 -15.542 1.00 69.44 C +ATOM 5228 O ALA A 358 -17.306 -82.577 -15.397 1.00 74.20 O +ATOM 5229 CB ALA A 358 -17.225 -84.507 -17.872 1.00 67.66 C +ATOM 5230 H ALA A 358 -19.570 -84.594 -16.946 1.00 0.00 H +ATOM 5231 HA ALA A 358 -17.119 -85.734 -16.122 1.00 0.00 H +ATOM 5232 HB1 ALA A 358 -16.147 -84.499 -18.032 1.00 0.00 H +ATOM 5233 HB2 ALA A 358 -17.675 -85.298 -18.471 1.00 0.00 H +ATOM 5234 HB3 ALA A 358 -17.642 -83.545 -18.169 1.00 0.00 H +ATOM 5235 N GLN A 359 -15.660 -84.062 -15.003 1.00 74.87 N +ATOM 5236 CA GLN A 359 -14.928 -83.186 -14.094 1.00 83.59 C +ATOM 5237 C GLN A 359 -13.529 -82.823 -14.574 1.00 72.68 C +ATOM 5238 O GLN A 359 -13.116 -81.671 -14.417 1.00 65.75 O +ATOM 5239 CB GLN A 359 -14.838 -83.834 -12.699 1.00 87.29 C +ATOM 5240 CG GLN A 359 -14.259 -82.925 -11.625 1.00 94.64 C +ATOM 5241 CD GLN A 359 -14.114 -83.613 -10.276 1.00 98.86 C +ATOM 5242 OE1 GLN A 359 -13.242 -84.617 -10.210 1.00 5.32 O +ATOM 5243 NE2 GLN A 359 -14.774 -83.242 -9.304 1.00 92.77 N +ATOM 5244 H GLN A 359 -15.262 -84.964 -15.219 1.00 0.00 H +ATOM 5245 HA GLN A 359 -15.496 -82.260 -13.994 1.00 0.00 H +ATOM 5246 HB3 GLN A 359 -14.241 -84.745 -12.762 1.00 0.00 H +ATOM 5247 HB2 GLN A 359 -15.828 -84.171 -12.392 1.00 0.00 H +ATOM 5248 HG3 GLN A 359 -14.892 -82.044 -11.516 1.00 0.00 H +ATOM 5249 HG2 GLN A 359 -13.286 -82.556 -11.949 1.00 0.00 H +ATOM 5250 HE22 GLN A 359 -14.668 -83.708 -8.414 1.00 0.00 H +ATOM 5251 HE21 GLN A 359 -15.421 -82.472 -9.397 1.00 0.00 H +ATOM 5252 N SER A 360 -12.788 -83.759 -15.166 1.00 67.31 N +ATOM 5253 CA SER A 360 -11.371 -83.556 -15.444 1.00 70.85 C +ATOM 5254 C SER A 360 -11.109 -83.379 -16.936 1.00 65.76 C +ATOM 5255 O SER A 360 -11.788 -83.966 -17.783 1.00 77.32 O +ATOM 5256 CB SER A 360 -10.534 -84.720 -14.902 1.00 59.30 C +ATOM 5257 OG SER A 360 -10.943 -85.924 -15.511 1.00 74.81 O +ATOM 5258 H SER A 360 -13.205 -84.639 -15.435 1.00 0.00 H +ATOM 5259 HA SER A 360 -11.053 -82.646 -14.935 1.00 0.00 H +ATOM 5260 HB3 SER A 360 -10.671 -84.794 -13.823 1.00 0.00 H +ATOM 5261 HB2 SER A 360 -9.481 -84.542 -15.120 1.00 0.00 H +ATOM 5262 HG SER A 360 -11.121 -85.768 -16.442 1.00 0.00 H +ATOM 5263 N ALA A 361 -10.071 -82.591 -17.238 1.00 65.55 N +ATOM 5264 CA ALA A 361 -9.854 -82.095 -18.597 1.00 76.21 C +ATOM 5265 C ALA A 361 -9.717 -83.215 -19.621 1.00 85.06 C +ATOM 5266 O ALA A 361 -10.003 -83.006 -20.806 1.00 95.17 O +ATOM 5267 CB ALA A 361 -8.620 -81.195 -18.629 1.00 71.03 C +ATOM 5268 H ALA A 361 -9.413 -82.325 -16.520 1.00 0.00 H +ATOM 5269 HA ALA A 361 -10.717 -81.490 -18.875 1.00 0.00 H +ATOM 5270 HB1 ALA A 361 -8.463 -80.828 -19.644 1.00 0.00 H +ATOM 5271 HB2 ALA A 361 -8.767 -80.350 -17.957 1.00 0.00 H +ATOM 5272 HB3 ALA A 361 -7.746 -81.764 -18.311 1.00 0.00 H +ATOM 5273 N ALA A 362 -9.277 -84.403 -19.202 1.00 85.44 N +ATOM 5274 CA ALA A 362 -9.224 -85.524 -20.135 1.00 76.55 C +ATOM 5275 C ALA A 362 -10.621 -85.911 -20.604 1.00 73.29 C +ATOM 5276 O ALA A 362 -10.812 -86.277 -21.767 1.00 73.27 O +ATOM 5277 CB ALA A 362 -8.516 -86.717 -19.490 1.00 70.37 C +ATOM 5278 H ALA A 362 -8.983 -84.523 -18.243 1.00 0.00 H +ATOM 5279 HA ALA A 362 -8.646 -85.215 -21.006 1.00 0.00 H +ATOM 5280 HB1 ALA A 362 -8.484 -87.547 -20.197 1.00 0.00 H +ATOM 5281 HB2 ALA A 362 -7.500 -86.434 -19.217 1.00 0.00 H +ATOM 5282 HB3 ALA A 362 -9.060 -87.024 -18.597 1.00 0.00 H +ATOM 5283 N ASP A 363 -12.264 -86.024 -18.137 1.00 66.90 N +ATOM 5284 CA ASP A 363 -11.780 -85.240 -19.264 1.00 68.95 C +ATOM 5285 C ASP A 363 -12.911 -84.679 -20.124 1.00 71.76 C +ATOM 5286 O ASP A 363 -13.885 -85.364 -20.437 1.00 77.34 O +ATOM 5287 CB ASP A 363 -10.833 -86.074 -20.114 1.00 74.68 C +ATOM 5288 CG ASP A 363 -9.787 -85.222 -20.796 1.00 92.60 C +ATOM 5289 OD1 ASP A 363 -9.792 -83.980 -20.611 1.00 98.00 O +ATOM 5290 OD2 ASP A 363 -8.964 -85.807 -21.534 1.00 93.92 O1- +ATOM 5291 HA ASP A 363 -11.215 -84.397 -18.865 1.00 0.00 H +ATOM 5292 HB3 ASP A 363 -11.404 -86.618 -20.866 1.00 0.00 H +ATOM 5293 HB2 ASP A 363 -10.342 -86.817 -19.486 1.00 0.00 H +ATOM 5294 H ASP A 363 -12.808 -86.804 -18.478 1.00 0.00 H +ATOM 5295 N LEU A 364 -12.762 -83.411 -20.484 1.00 71.93 N +ATOM 5296 CA LEU A 364 -13.766 -82.656 -21.215 1.00 77.99 C +ATOM 5297 C LEU A 364 -13.381 -82.524 -22.684 1.00 76.83 C +ATOM 5298 O LEU A 364 -12.212 -82.640 -23.062 1.00 78.49 O +ATOM 5299 CB LEU A 364 -13.938 -81.268 -20.594 1.00 71.38 C +ATOM 5300 CG LEU A 364 -14.598 -81.206 -19.223 1.00 68.29 C +ATOM 5301 CD1 LEU A 364 -14.130 -79.974 -18.479 1.00 64.44 C +ATOM 5302 CD2 LEU A 364 -16.102 -81.178 -19.400 1.00 65.64 C +ATOM 5303 H LEU A 364 -11.913 -82.916 -20.251 1.00 0.00 H +ATOM 5304 HA LEU A 364 -14.716 -83.186 -21.150 1.00 0.00 H +ATOM 5305 HB3 LEU A 364 -14.489 -80.631 -21.286 1.00 0.00 H +ATOM 5306 HB2 LEU A 364 -12.968 -80.773 -20.548 1.00 0.00 H +ATOM 5307 HG LEU A 364 -14.322 -82.093 -18.653 1.00 0.00 H +ATOM 5308 HD11 LEU A 364 -14.607 -79.937 -17.500 1.00 0.00 H +ATOM 5309 HD12 LEU A 364 -13.048 -80.013 -18.354 1.00 0.00 H +ATOM 5310 HD13 LEU A 364 -14.398 -79.083 -19.046 1.00 0.00 H +ATOM 5311 HD21 LEU A 364 -16.583 -81.134 -18.423 1.00 0.00 H +ATOM 5312 HD22 LEU A 364 -16.383 -80.301 -19.983 1.00 0.00 H +ATOM 5313 HD23 LEU A 364 -16.424 -82.079 -19.922 1.00 0.00 H +ATOM 5314 N LEU A 365 -14.387 -82.269 -23.510 1.00 72.03 N +ATOM 5315 CA LEU A 365 -14.172 -82.109 -24.943 1.00 73.68 C +ATOM 5316 C LEU A 365 -14.354 -80.658 -25.336 1.00 69.52 C +ATOM 5317 O LEU A 365 -15.176 -79.960 -24.747 1.00 73.26 O +ATOM 5318 CB LEU A 365 -15.114 -83.019 -25.729 1.00 72.82 C +ATOM 5319 CG LEU A 365 -15.012 -84.470 -25.242 1.00 66.38 C +ATOM 5320 CD1 LEU A 365 -15.885 -85.394 -26.067 1.00 63.10 C +ATOM 5321 CD2 LEU A 365 -13.571 -84.936 -25.264 1.00 60.94 C +ATOM 5322 H LEU A 365 -15.327 -82.182 -23.150 1.00 0.00 H +ATOM 5323 HA LEU A 365 -13.146 -82.399 -25.170 1.00 0.00 H +ATOM 5324 HB3 LEU A 365 -14.862 -82.973 -26.789 1.00 0.00 H +ATOM 5325 HB2 LEU A 365 -16.139 -82.668 -25.612 1.00 0.00 H +ATOM 5326 HG LEU A 365 -15.363 -84.506 -24.211 1.00 0.00 H +ATOM 5327 HD11 LEU A 365 -15.789 -86.414 -25.695 1.00 0.00 H +ATOM 5328 HD12 LEU A 365 -16.925 -85.077 -25.990 1.00 0.00 H +ATOM 5329 HD13 LEU A 365 -15.570 -85.357 -27.110 1.00 0.00 H +ATOM 5330 HD21 LEU A 365 -13.517 -85.967 -24.916 1.00 0.00 H +ATOM 5331 HD22 LEU A 365 -13.185 -84.876 -26.281 1.00 0.00 H +ATOM 5332 HD23 LEU A 365 -12.973 -84.300 -24.611 1.00 0.00 H +ATOM 5333 N PRO A 366 -13.600 -80.192 -26.345 1.00 73.92 N +ATOM 5334 CA PRO A 366 -12.697 -80.943 -27.234 1.00 67.27 C +ATOM 5335 C PRO A 366 -11.359 -81.331 -26.604 1.00 63.66 C +ATOM 5336 O PRO A 366 -10.638 -80.462 -26.095 1.00 60.69 O +ATOM 5337 CB PRO A 366 -12.477 -79.975 -28.394 1.00 61.24 C +ATOM 5338 CG PRO A 366 -12.592 -78.615 -27.758 1.00 73.41 C +ATOM 5339 CD PRO A 366 -13.657 -78.758 -26.694 1.00 71.40 C +ATOM 5340 HA PRO A 366 -13.203 -81.838 -27.596 1.00 0.00 H +ATOM 5341 HB3 PRO A 366 -13.276 -80.100 -29.124 1.00 0.00 H +ATOM 5342 HB2 PRO A 366 -11.468 -80.105 -28.786 1.00 0.00 H +ATOM 5343 HG3 PRO A 366 -12.922 -77.893 -28.505 1.00 0.00 H +ATOM 5344 HG2 PRO A 366 -11.644 -78.354 -27.288 1.00 0.00 H +ATOM 5345 HD2 PRO A 366 -13.378 -78.164 -25.823 1.00 0.00 H +ATOM 5346 HD3 PRO A 366 -14.631 -78.531 -27.127 1.00 0.00 H +ATOM 5347 N SER A 367 -11.050 -82.630 -26.659 1.00 55.19 N +ATOM 5348 CA SER A 367 -9.811 -83.166 -26.100 1.00 60.12 C +ATOM 5349 C SER A 367 -8.602 -82.337 -26.498 1.00 61.88 C +ATOM 5350 O SER A 367 -8.520 -81.816 -27.614 1.00 57.28 O +ATOM 5351 CB SER A 367 -9.598 -84.605 -26.566 1.00 63.84 C +ATOM 5352 OG SER A 367 -10.599 -85.465 -26.058 1.00 72.12 O +ATOM 5353 H SER A 367 -11.684 -83.282 -27.099 1.00 0.00 H +ATOM 5354 HA SER A 367 -9.891 -83.162 -25.013 1.00 0.00 H +ATOM 5355 HB3 SER A 367 -8.619 -84.952 -26.235 1.00 0.00 H +ATOM 5356 HB2 SER A 367 -9.609 -84.639 -27.655 1.00 0.00 H +ATOM 5357 HG SER A 367 -10.578 -85.449 -25.098 1.00 0.00 H +ATOM 5358 N GLY A 368 -7.650 -82.235 -25.577 1.00 60.29 N +ATOM 5359 CA GLY A 368 -6.425 -81.522 -25.855 1.00 57.09 C +ATOM 5360 C GLY A 368 -6.492 -80.026 -25.656 1.00 59.17 C +ATOM 5361 O GLY A 368 -5.459 -79.360 -25.773 1.00 60.46 O +ATOM 5362 H GLY A 368 -7.778 -82.659 -24.669 1.00 0.00 H +ATOM 5363 HA3 GLY A 368 -6.107 -81.736 -26.875 1.00 0.00 H +ATOM 5364 HA2 GLY A 368 -5.622 -81.932 -25.242 1.00 0.00 H +ATOM 5365 N SER A 369 -7.660 -79.472 -25.329 1.00 59.45 N +ATOM 5366 CA SER A 369 -7.803 -78.027 -25.237 1.00 60.75 C +ATOM 5367 C SER A 369 -8.183 -77.510 -23.854 1.00 67.08 C +ATOM 5368 O SER A 369 -8.025 -76.310 -23.609 1.00 64.45 O +ATOM 5369 CB SER A 369 -8.852 -77.537 -26.245 1.00 60.99 C +ATOM 5370 OG SER A 369 -8.522 -77.955 -27.557 1.00 77.92 O +ATOM 5371 H SER A 369 -8.461 -80.057 -25.141 1.00 0.00 H +ATOM 5372 HA SER A 369 -6.847 -77.580 -25.508 1.00 0.00 H +ATOM 5373 HB3 SER A 369 -8.905 -76.449 -26.213 1.00 0.00 H +ATOM 5374 HB2 SER A 369 -9.830 -77.934 -25.973 1.00 0.00 H +ATOM 5375 HG SER A 369 -8.487 -78.914 -27.588 1.00 0.00 H +ATOM 5376 N VAL A 370 -8.651 -78.367 -22.945 1.00 65.88 N +ATOM 5377 CA VAL A 370 -9.291 -77.937 -21.703 1.00 61.77 C +ATOM 5378 C VAL A 370 -8.312 -78.056 -20.542 1.00 63.05 C +ATOM 5379 O VAL A 370 -7.744 -79.129 -20.293 1.00 60.93 O +ATOM 5380 CB VAL A 370 -10.568 -78.748 -21.428 1.00 57.93 C +ATOM 5381 CG1 VAL A 370 -11.321 -78.159 -20.237 1.00 50.01 C +ATOM 5382 CG2 VAL A 370 -11.453 -78.794 -22.685 1.00 57.22 C +ATOM 5383 H VAL A 370 -8.571 -79.362 -23.100 1.00 0.00 H +ATOM 5384 HA VAL A 370 -9.569 -76.888 -21.808 1.00 0.00 H +ATOM 5385 HB VAL A 370 -10.277 -79.768 -21.178 1.00 0.00 H +ATOM 5386 HG11 VAL A 370 -12.223 -78.742 -20.052 1.00 0.00 H +ATOM 5387 HG12 VAL A 370 -10.684 -78.187 -19.353 1.00 0.00 H +ATOM 5388 HG13 VAL A 370 -11.594 -77.126 -20.454 1.00 0.00 H +ATOM 5389 HG21 VAL A 370 -12.353 -79.371 -22.475 1.00 0.00 H +ATOM 5390 HG22 VAL A 370 -11.731 -77.780 -22.972 1.00 0.00 H +ATOM 5391 HG23 VAL A 370 -10.903 -79.263 -23.500 1.00 0.00 H +ATOM 5392 N TYR A 371 -8.163 -76.968 -19.797 1.00 61.70 N +ATOM 5393 CA TYR A 371 -7.161 -76.834 -18.747 1.00 57.47 C +ATOM 5394 C TYR A 371 -7.867 -76.728 -17.397 1.00 54.72 C +ATOM 5395 O TYR A 371 -8.566 -75.743 -17.128 1.00 58.96 O +ATOM 5396 CB TYR A 371 -6.276 -75.615 -19.022 1.00 55.81 C +ATOM 5397 CG TYR A 371 -5.344 -75.824 -20.200 1.00 60.61 C +ATOM 5398 CD1 TYR A 371 -5.791 -75.665 -21.504 1.00 66.07 C +ATOM 5399 CE1 TYR A 371 -4.938 -75.872 -22.588 1.00 66.34 C +ATOM 5400 CZ TYR A 371 -3.622 -76.244 -22.365 1.00 62.44 C +ATOM 5401 OH TYR A 371 -2.764 -76.453 -23.431 1.00 68.96 O +ATOM 5402 CE2 TYR A 371 -3.159 -76.408 -21.076 1.00 58.31 C +ATOM 5403 CD2 TYR A 371 -4.013 -76.193 -20.004 1.00 53.97 C +ATOM 5404 H TYR A 371 -8.764 -76.170 -19.943 1.00 0.00 H +ATOM 5405 HA TYR A 371 -6.535 -77.727 -18.745 1.00 0.00 H +ATOM 5406 HB3 TYR A 371 -5.690 -75.385 -18.132 1.00 0.00 H +ATOM 5407 HB2 TYR A 371 -6.906 -74.745 -19.208 1.00 0.00 H +ATOM 5408 HD1 TYR A 371 -6.815 -75.376 -21.693 1.00 0.00 H +ATOM 5409 HE1 TYR A 371 -5.304 -75.742 -23.596 1.00 0.00 H +ATOM 5410 HH TYR A 371 -3.233 -76.300 -24.254 1.00 0.00 H +ATOM 5411 HE2 TYR A 371 -2.134 -76.703 -20.904 1.00 0.00 H +ATOM 5412 HD2 TYR A 371 -3.629 -76.317 -19.002 1.00 0.00 H +ATOM 5413 N SER A 372 -7.690 -77.749 -16.560 1.00 46.80 N +ATOM 5414 CA SER A 372 -8.263 -77.747 -15.221 1.00 53.31 C +ATOM 5415 C SER A 372 -7.524 -76.758 -14.340 1.00 60.57 C +ATOM 5416 O SER A 372 -6.295 -76.799 -14.235 1.00 59.13 O +ATOM 5417 CB SER A 372 -8.199 -79.143 -14.608 1.00 49.55 C +ATOM 5418 OG SER A 372 -9.108 -80.011 -15.251 1.00 70.66 O +ATOM 5419 H SER A 372 -7.147 -78.550 -16.849 1.00 0.00 H +ATOM 5420 HA SER A 372 -9.307 -77.442 -15.288 1.00 0.00 H +ATOM 5421 HB3 SER A 372 -8.441 -79.085 -13.547 1.00 0.00 H +ATOM 5422 HB2 SER A 372 -7.188 -79.537 -14.708 1.00 0.00 H +ATOM 5423 HG SER A 372 -9.964 -79.954 -14.821 1.00 0.00 H +ATOM 5424 N LEU A 373 -8.271 -75.852 -13.720 1.00 63.85 N +ATOM 5425 CA LEU A 373 -7.662 -74.878 -12.842 1.00 63.54 C +ATOM 5426 C LEU A 373 -8.186 -75.068 -11.428 1.00 68.08 C +ATOM 5427 O LEU A 373 -9.410 -75.115 -11.214 1.00 54.08 O +ATOM 5428 CB LEU A 373 -7.915 -73.439 -13.307 1.00 58.37 C +ATOM 5429 CG LEU A 373 -7.052 -72.912 -14.466 1.00 66.32 C +ATOM 5430 CD1 LEU A 373 -7.354 -71.440 -14.709 1.00 61.31 C +ATOM 5431 CD2 LEU A 373 -5.566 -73.099 -14.213 1.00 63.03 C +ATOM 5432 H LEU A 373 -9.271 -75.840 -13.860 1.00 0.00 H +ATOM 5433 HA LEU A 373 -6.586 -75.051 -12.834 1.00 0.00 H +ATOM 5434 HB3 LEU A 373 -7.821 -72.766 -12.455 1.00 0.00 H +ATOM 5435 HB2 LEU A 373 -8.968 -73.326 -13.564 1.00 0.00 H +ATOM 5436 HG LEU A 373 -7.316 -73.467 -15.366 1.00 0.00 H +ATOM 5437 HD11 LEU A 373 -6.739 -71.073 -15.531 1.00 0.00 H +ATOM 5438 HD12 LEU A 373 -8.407 -71.322 -14.963 1.00 0.00 H +ATOM 5439 HD13 LEU A 373 -7.132 -70.869 -13.807 1.00 0.00 H +ATOM 5440 HD21 LEU A 373 -5.001 -72.711 -15.060 1.00 0.00 H +ATOM 5441 HD22 LEU A 373 -5.280 -72.561 -13.309 1.00 0.00 H +ATOM 5442 HD23 LEU A 373 -5.349 -74.160 -14.087 1.00 0.00 H +ATOM 5443 N PRO A 374 -7.299 -75.187 -10.446 1.00 60.63 N +ATOM 5444 CA PRO A 374 -7.733 -75.272 -9.052 1.00 62.86 C +ATOM 5445 C PRO A 374 -8.204 -73.911 -8.560 1.00 62.10 C +ATOM 5446 O PRO A 374 -7.840 -72.863 -9.099 1.00 64.45 O +ATOM 5447 CB PRO A 374 -6.463 -75.713 -8.316 1.00 60.27 C +ATOM 5448 CG PRO A 374 -5.341 -75.141 -9.151 1.00 53.63 C +ATOM 5449 CD PRO A 374 -5.835 -75.133 -10.586 1.00 49.47 C +ATOM 5450 HA PRO A 374 -8.521 -76.016 -8.939 1.00 0.00 H +ATOM 5451 HB3 PRO A 374 -6.401 -76.801 -8.325 1.00 0.00 H +ATOM 5452 HB2 PRO A 374 -6.444 -75.258 -7.326 1.00 0.00 H +ATOM 5453 HG3 PRO A 374 -4.466 -75.786 -9.073 1.00 0.00 H +ATOM 5454 HG2 PRO A 374 -5.137 -74.119 -8.832 1.00 0.00 H +ATOM 5455 HD2 PRO A 374 -5.553 -74.192 -11.059 1.00 0.00 H +ATOM 5456 HD3 PRO A 374 -5.488 -76.034 -11.091 1.00 0.00 H +ATOM 5457 N ALA A 375 -9.020 -73.942 -7.510 1.00 60.46 N +ATOM 5458 CA ALA A 375 -9.589 -72.738 -6.923 1.00 58.14 C +ATOM 5459 C ALA A 375 -8.639 -72.147 -5.896 1.00 63.93 C +ATOM 5460 O ALA A 375 -7.814 -72.856 -5.319 1.00 69.34 O +ATOM 5461 CB ALA A 375 -10.933 -73.036 -6.253 1.00 50.63 C +ATOM 5462 H ALA A 375 -9.267 -74.826 -7.088 1.00 0.00 H +ATOM 5463 HA ALA A 375 -9.748 -72.005 -7.714 1.00 0.00 H +ATOM 5464 HB1 ALA A 375 -11.336 -72.119 -5.823 1.00 0.00 H +ATOM 5465 HB2 ALA A 375 -11.630 -73.426 -6.994 1.00 0.00 H +ATOM 5466 HB3 ALA A 375 -10.791 -73.775 -5.465 1.00 0.00 H +ATOM 5467 N ASN A 376 -8.771 -70.837 -5.667 1.00 61.87 N +ATOM 5468 CA ASN A 376 -7.988 -70.122 -4.655 1.00 63.07 C +ATOM 5469 C ASN A 376 -6.489 -70.356 -4.850 1.00 65.39 C +ATOM 5470 O ASN A 376 -5.766 -70.731 -3.923 1.00 67.20 O +ATOM 5471 CB ASN A 376 -8.410 -70.522 -3.238 1.00 57.86 C +ATOM 5472 CG ASN A 376 -9.917 -70.602 -3.064 1.00 66.51 C +ATOM 5473 OD1 ASN A 376 -10.374 -71.644 -2.378 1.00 73.62 O +ATOM 5474 ND2 ASN A 376 -10.661 -69.744 -3.534 1.00 70.00 N +ATOM 5475 H ASN A 376 -9.434 -70.295 -6.203 1.00 0.00 H +ATOM 5476 HA ASN A 376 -8.180 -69.056 -4.774 1.00 0.00 H +ATOM 5477 HB3 ASN A 376 -8.000 -69.808 -2.523 1.00 0.00 H +ATOM 5478 HB2 ASN A 376 -7.965 -71.485 -2.986 1.00 0.00 H +ATOM 5479 HD22 ASN A 376 -11.660 -69.817 -3.406 1.00 0.00 H +ATOM 5480 HD21 ASN A 376 -10.273 -68.966 -4.048 1.00 0.00 H +ATOM 5481 N ALA A 377 -6.027 -70.148 -6.083 1.00 59.90 N +ATOM 5482 CA ALA A 377 -4.626 -70.312 -6.447 1.00 51.38 C +ATOM 5483 C ALA A 377 -4.174 -69.134 -7.290 1.00 52.71 C +ATOM 5484 O ALA A 377 -4.981 -68.410 -7.881 1.00 55.59 O +ATOM 5485 CB ALA A 377 -4.371 -71.607 -7.244 1.00 42.59 C +ATOM 5486 H ALA A 377 -6.659 -69.862 -6.818 1.00 0.00 H +ATOM 5487 HA ALA A 377 -4.029 -70.339 -5.536 1.00 0.00 H +ATOM 5488 HB1 ALA A 377 -3.312 -71.680 -7.490 1.00 0.00 H +ATOM 5489 HB2 ALA A 377 -4.664 -72.468 -6.643 1.00 0.00 H +ATOM 5490 HB3 ALA A 377 -4.957 -71.590 -8.163 1.00 0.00 H +ATOM 5491 N ASP A 378 -2.861 -68.967 -7.347 1.00 53.22 N +ATOM 5492 CA ASP A 378 -2.229 -67.995 -8.225 1.00 53.44 C +ATOM 5493 C ASP A 378 -1.781 -68.701 -9.499 1.00 48.71 C +ATOM 5494 O ASP A 378 -1.114 -69.738 -9.431 1.00 56.33 O +ATOM 5495 CB ASP A 378 -1.048 -67.324 -7.516 1.00 51.40 C +ATOM 5496 CG ASP A 378 -1.491 -66.526 -6.285 1.00 56.16 C +ATOM 5497 OD1 ASP A 378 -2.625 -66.013 -6.306 1.00 57.34 O +ATOM 5498 OD2 ASP A 378 -0.721 -66.401 -5.309 1.00 52.40 O1- +ATOM 5499 H ASP A 378 -2.255 -69.527 -6.765 1.00 0.00 H +ATOM 5500 HA ASP A 378 -2.961 -67.231 -8.487 1.00 0.00 H +ATOM 5501 HB3 ASP A 378 -0.536 -66.661 -8.213 1.00 0.00 H +ATOM 5502 HB2 ASP A 378 -0.327 -68.084 -7.215 1.00 0.00 H +ATOM 5503 N ILE A 379 -2.142 -68.126 -10.651 1.00 47.75 N +ATOM 5504 CA ILE A 379 -1.899 -68.692 -11.975 1.00 45.69 C +ATOM 5505 C ILE A 379 -0.999 -67.735 -12.747 1.00 59.21 C +ATOM 5506 O ILE A 379 -1.188 -66.516 -12.698 1.00 53.41 O +ATOM 5507 CB ILE A 379 -3.214 -68.918 -12.750 1.00 56.89 C +ATOM 5508 CG1 ILE A 379 -4.268 -69.615 -11.873 1.00 50.48 C +ATOM 5509 CD1 ILE A 379 -3.955 -71.061 -11.564 1.00 54.25 C +ATOM 5510 CG2 ILE A 379 -2.953 -69.694 -14.046 1.00 57.79 C +ATOM 5511 H ILE A 379 -2.619 -67.236 -10.643 1.00 0.00 H +ATOM 5512 HA ILE A 379 -1.386 -69.647 -11.863 1.00 0.00 H +ATOM 5513 HB ILE A 379 -3.608 -67.939 -13.025 1.00 0.00 H +ATOM 5514 HG13 ILE A 379 -5.242 -69.552 -12.359 1.00 0.00 H +ATOM 5515 HG12 ILE A 379 -4.384 -69.063 -10.940 1.00 0.00 H +ATOM 5516 HD11 ILE A 379 -4.746 -71.480 -10.942 1.00 0.00 H +ATOM 5517 HD12 ILE A 379 -3.888 -71.626 -12.494 1.00 0.00 H +ATOM 5518 HD13 ILE A 379 -3.005 -71.122 -11.033 1.00 0.00 H +ATOM 5519 HG21 ILE A 379 -3.893 -69.842 -14.577 1.00 0.00 H +ATOM 5520 HG22 ILE A 379 -2.266 -69.129 -14.676 1.00 0.00 H +ATOM 5521 HG23 ILE A 379 -2.514 -70.663 -13.808 1.00 0.00 H +ATOM 5522 N GLU A 380 -0.013 -68.286 -13.452 1.00 61.52 N +ATOM 5523 CA GLU A 380 0.848 -67.522 -14.350 1.00 57.70 C +ATOM 5524 C GLU A 380 0.741 -68.168 -15.726 1.00 55.02 C +ATOM 5525 O GLU A 380 1.012 -69.365 -15.874 1.00 52.29 O +ATOM 5526 CB GLU A 380 2.299 -67.510 -13.834 1.00 59.13 C +ATOM 5527 CG GLU A 380 3.285 -66.557 -14.541 1.00 55.34 C +ATOM 5528 CD GLU A 380 4.686 -66.536 -13.889 1.00 68.79 C +ATOM 5529 OE1 GLU A 380 5.261 -65.432 -13.722 1.00 73.66 O +ATOM 5530 OE2 GLU A 380 5.212 -67.618 -13.530 1.00 62.67 O1- +ATOM 5531 H GLU A 380 0.167 -69.277 -13.379 1.00 0.00 H +ATOM 5532 HA GLU A 380 0.482 -66.497 -14.408 1.00 0.00 H +ATOM 5533 HB3 GLU A 380 2.698 -68.524 -13.862 1.00 0.00 H +ATOM 5534 HB2 GLU A 380 2.298 -67.296 -12.765 1.00 0.00 H +ATOM 5535 HG3 GLU A 380 2.873 -65.548 -14.546 1.00 0.00 H +ATOM 5536 HG2 GLU A 380 3.378 -66.844 -15.588 1.00 0.00 H +ATOM 5537 N ILE A 381 0.300 -67.410 -16.723 1.00 46.55 N +ATOM 5538 CA ILE A 381 0.161 -67.953 -18.068 1.00 48.80 C +ATOM 5539 C ILE A 381 1.147 -67.258 -18.986 1.00 56.07 C +ATOM 5540 O ILE A 381 1.166 -66.025 -19.072 1.00 55.03 O +ATOM 5541 CB ILE A 381 -1.268 -67.830 -18.619 1.00 52.06 C +ATOM 5542 CG1 ILE A 381 -2.233 -68.633 -17.760 1.00 49.00 C +ATOM 5543 CD1 ILE A 381 -3.581 -68.770 -18.399 1.00 46.96 C +ATOM 5544 CG2 ILE A 381 -1.324 -68.406 -20.038 1.00 44.91 C +ATOM 5545 H ILE A 381 0.056 -66.445 -16.554 1.00 0.00 H +ATOM 5546 HA ILE A 381 0.420 -69.011 -18.033 1.00 0.00 H +ATOM 5547 HB ILE A 381 -1.570 -66.783 -18.633 1.00 0.00 H +ATOM 5548 HG13 ILE A 381 -2.340 -68.151 -16.788 1.00 0.00 H +ATOM 5549 HG12 ILE A 381 -1.817 -69.623 -17.576 1.00 0.00 H +ATOM 5550 HD11 ILE A 381 -4.235 -69.351 -17.748 1.00 0.00 H +ATOM 5551 HD12 ILE A 381 -4.011 -67.781 -18.556 1.00 0.00 H +ATOM 5552 HD13 ILE A 381 -3.479 -69.278 -19.358 1.00 0.00 H +ATOM 5553 HG21 ILE A 381 -2.338 -68.318 -20.427 1.00 0.00 H +ATOM 5554 HG22 ILE A 381 -0.639 -67.854 -20.682 1.00 0.00 H +ATOM 5555 HG23 ILE A 381 -1.034 -69.457 -20.016 1.00 0.00 H +ATOM 5556 N SER A 382 1.957 -68.063 -19.670 1.00 54.48 N +ATOM 5557 CA SER A 382 2.945 -67.622 -20.634 1.00 49.77 C +ATOM 5558 C SER A 382 2.391 -67.818 -22.041 1.00 52.30 C +ATOM 5559 O SER A 382 1.742 -68.829 -22.334 1.00 54.03 O +ATOM 5560 CB SER A 382 4.235 -68.427 -20.454 1.00 58.74 C +ATOM 5561 OG SER A 382 5.385 -67.691 -20.824 1.00 60.24 O +ATOM 5562 H SER A 382 1.909 -69.063 -19.534 1.00 0.00 H +ATOM 5563 HA SER A 382 3.156 -66.565 -20.475 1.00 0.00 H +ATOM 5564 HB3 SER A 382 4.180 -69.338 -21.051 1.00 0.00 H +ATOM 5565 HB2 SER A 382 4.324 -68.740 -19.414 1.00 0.00 H +ATOM 5566 HG SER A 382 5.319 -67.438 -21.748 1.00 0.00 H +ATOM 5567 N LEU A 383 2.657 -66.858 -22.915 1.00 53.22 N +ATOM 5568 CA LEU A 383 2.158 -66.889 -24.290 1.00 52.61 C +ATOM 5569 C LEU A 383 3.229 -66.310 -25.203 1.00 52.32 C +ATOM 5570 O LEU A 383 3.046 -65.238 -25.793 1.00 48.03 O +ATOM 5571 CB LEU A 383 0.863 -66.086 -24.412 1.00 57.60 C +ATOM 5572 CG LEU A 383 -0.364 -66.392 -23.554 1.00 61.08 C +ATOM 5573 CD1 LEU A 383 -0.912 -65.050 -23.094 1.00 50.16 C +ATOM 5574 CD2 LEU A 383 -1.404 -67.156 -24.350 1.00 72.49 C +ATOM 5575 H LEU A 383 3.223 -66.068 -22.641 1.00 0.00 H +ATOM 5576 HA LEU A 383 1.965 -67.923 -24.577 1.00 0.00 H +ATOM 5577 HB3 LEU A 383 0.561 -66.065 -25.459 1.00 0.00 H +ATOM 5578 HB2 LEU A 383 1.099 -65.026 -24.321 1.00 0.00 H +ATOM 5579 HG LEU A 383 -0.065 -66.980 -22.686 1.00 0.00 H +ATOM 5580 HD11 LEU A 383 -1.794 -65.210 -22.474 1.00 0.00 H +ATOM 5581 HD12 LEU A 383 -0.152 -64.526 -22.515 1.00 0.00 H +ATOM 5582 HD13 LEU A 383 -1.183 -64.451 -23.963 1.00 0.00 H +ATOM 5583 HD21 LEU A 383 -2.267 -67.362 -23.717 1.00 0.00 H +ATOM 5584 HD22 LEU A 383 -1.716 -66.560 -25.207 1.00 0.00 H +ATOM 5585 HD23 LEU A 383 -0.977 -68.096 -24.698 1.00 0.00 H +ATOM 5586 N PRO A 384 4.364 -66.997 -25.347 1.00 57.01 N +ATOM 5587 CA PRO A 384 5.466 -66.436 -26.145 1.00 57.62 C +ATOM 5588 C PRO A 384 5.057 -66.287 -27.605 1.00 56.73 C +ATOM 5589 O PRO A 384 4.410 -67.166 -28.179 1.00 63.17 O +ATOM 5590 CB PRO A 384 6.582 -67.475 -25.981 1.00 54.49 C +ATOM 5591 CG PRO A 384 5.822 -68.790 -25.828 1.00 47.33 C +ATOM 5592 CD PRO A 384 4.593 -68.418 -25.009 1.00 52.28 C +ATOM 5593 HA PRO A 384 5.779 -65.475 -25.738 1.00 0.00 H +ATOM 5594 HB3 PRO A 384 7.134 -67.269 -25.064 1.00 0.00 H +ATOM 5595 HB2 PRO A 384 7.179 -67.508 -26.892 1.00 0.00 H +ATOM 5596 HG3 PRO A 384 6.432 -69.495 -25.263 1.00 0.00 H +ATOM 5597 HG2 PRO A 384 5.508 -69.141 -26.811 1.00 0.00 H +ATOM 5598 HD2 PRO A 384 3.742 -69.010 -25.346 1.00 0.00 H +ATOM 5599 HD3 PRO A 384 4.828 -68.503 -23.948 1.00 0.00 H +ATOM 5600 N ALA A 385 5.426 -65.163 -28.211 1.00 50.99 N +ATOM 5601 CA ALA A 385 5.078 -64.969 -29.615 1.00 55.70 C +ATOM 5602 C ALA A 385 5.959 -65.839 -30.511 1.00 57.66 C +ATOM 5603 O ALA A 385 7.133 -66.066 -30.214 1.00 57.46 O +ATOM 5604 CB ALA A 385 5.215 -63.498 -30.002 1.00 57.44 C +ATOM 5605 H ALA A 385 5.939 -64.459 -27.700 1.00 0.00 H +ATOM 5606 HA ALA A 385 4.040 -65.268 -29.757 1.00 0.00 H +ATOM 5607 HB1 ALA A 385 4.952 -63.372 -31.052 1.00 0.00 H +ATOM 5608 HB2 ALA A 385 4.547 -62.896 -29.386 1.00 0.00 H +ATOM 5609 HB3 ALA A 385 6.244 -63.175 -29.845 1.00 0.00 H +ATOM 5610 N THR A 386 5.390 -66.321 -31.618 1.00 61.63 N +ATOM 5611 CA THR A 386 6.130 -67.162 -32.552 1.00 59.93 C +ATOM 5612 C THR A 386 5.650 -66.938 -33.981 1.00 67.12 C +ATOM 5613 O THR A 386 4.449 -66.801 -34.229 1.00 57.29 O +ATOM 5614 CB THR A 386 6.000 -68.660 -32.215 1.00 53.27 C +ATOM 5615 OG1 THR A 386 6.517 -69.431 -33.304 1.00 48.53 O +ATOM 5616 CG2 THR A 386 4.553 -69.057 -31.997 1.00 43.54 C +ATOM 5617 H THR A 386 4.425 -66.105 -31.825 1.00 0.00 H +ATOM 5618 HA THR A 386 7.184 -66.889 -32.498 1.00 0.00 H +ATOM 5619 HB THR A 386 6.574 -68.878 -31.314 1.00 0.00 H +ATOM 5620 HG1 THR A 386 7.346 -69.839 -33.042 1.00 0.00 H +ATOM 5621 HG21 THR A 386 4.499 -70.120 -31.761 1.00 0.00 H +ATOM 5622 HG22 THR A 386 4.138 -68.480 -31.170 1.00 0.00 H +ATOM 5623 HG23 THR A 386 3.980 -68.856 -32.902 1.00 0.00 H +ATOM 5624 N ALA A 387 6.601 -66.937 -34.921 1.00 72.37 N +ATOM 5625 CA ALA A 387 6.274 -66.943 -36.344 1.00 63.18 C +ATOM 5626 C ALA A 387 5.439 -68.148 -36.751 1.00 66.72 C +ATOM 5627 O ALA A 387 4.818 -68.111 -37.816 1.00 74.91 O +ATOM 5628 CB ALA A 387 7.551 -66.918 -37.188 1.00 51.77 C +ATOM 5629 H ALA A 387 7.575 -66.932 -34.654 1.00 0.00 H +ATOM 5630 HA ALA A 387 5.702 -66.042 -36.566 1.00 0.00 H +ATOM 5631 HB1 ALA A 387 7.288 -66.923 -38.246 1.00 0.00 H +ATOM 5632 HB2 ALA A 387 8.120 -66.017 -36.960 1.00 0.00 H +ATOM 5633 HB3 ALA A 387 8.155 -67.796 -36.960 1.00 0.00 H +ATOM 5634 N ALA A 388 5.409 -69.213 -35.943 1.00 62.77 N +ATOM 5635 CA ALA A 388 4.606 -70.383 -36.276 1.00 60.97 C +ATOM 5636 C ALA A 388 3.111 -70.115 -36.188 1.00 69.01 C +ATOM 5637 O ALA A 388 2.330 -70.934 -36.688 1.00 62.62 O +ATOM 5638 CB ALA A 388 4.974 -71.563 -35.372 1.00 52.25 C +ATOM 5639 H ALA A 388 5.948 -69.214 -35.089 1.00 0.00 H +ATOM 5640 HA ALA A 388 4.835 -70.665 -37.304 1.00 0.00 H +ATOM 5641 HB1 ALA A 388 4.364 -72.427 -35.635 1.00 0.00 H +ATOM 5642 HB2 ALA A 388 6.028 -71.808 -35.505 1.00 0.00 H +ATOM 5643 HB3 ALA A 388 4.792 -71.295 -34.331 1.00 0.00 H +ATOM 5644 N ALA A 389 2.698 -69.007 -35.558 1.00 71.17 N +ATOM 5645 CA ALA A 389 1.316 -68.525 -35.572 1.00 64.92 C +ATOM 5646 C ALA A 389 1.246 -67.309 -36.486 1.00 69.82 C +ATOM 5647 O ALA A 389 1.481 -66.172 -36.040 1.00 55.92 O +ATOM 5648 CB ALA A 389 0.824 -68.171 -34.162 1.00 57.21 C +ATOM 5649 H ALA A 389 3.357 -68.449 -35.033 1.00 0.00 H +ATOM 5650 HA ALA A 389 0.676 -69.307 -35.980 1.00 0.00 H +ATOM 5651 HB1 ALA A 389 -0.206 -67.817 -34.214 1.00 0.00 H +ATOM 5652 HB2 ALA A 389 0.872 -69.056 -33.527 1.00 0.00 H +ATOM 5653 HB3 ALA A 389 1.456 -67.388 -33.742 1.00 0.00 H +ATOM 5654 N PRO A 390 0.940 -67.489 -37.772 1.00 71.69 N +ATOM 5655 CA PRO A 390 0.834 -66.344 -38.682 1.00 62.88 C +ATOM 5656 C PRO A 390 -0.299 -65.420 -38.274 1.00 66.94 C +ATOM 5657 O PRO A 390 -1.169 -65.756 -37.466 1.00 76.23 O +ATOM 5658 CB PRO A 390 0.565 -66.988 -40.046 1.00 59.45 C +ATOM 5659 CG PRO A 390 -0.042 -68.295 -39.719 1.00 69.17 C +ATOM 5660 CD PRO A 390 0.603 -68.755 -38.441 1.00 66.53 C +ATOM 5661 HA PRO A 390 1.775 -65.795 -38.706 1.00 0.00 H +ATOM 5662 HB3 PRO A 390 1.512 -67.149 -40.562 1.00 0.00 H +ATOM 5663 HB2 PRO A 390 -0.156 -66.382 -40.595 1.00 0.00 H +ATOM 5664 HG3 PRO A 390 0.181 -69.007 -40.514 1.00 0.00 H +ATOM 5665 HG2 PRO A 390 -1.113 -68.167 -39.559 1.00 0.00 H +ATOM 5666 HD2 PRO A 390 -0.131 -69.294 -37.842 1.00 0.00 H +ATOM 5667 HD3 PRO A 390 1.521 -69.293 -38.675 1.00 0.00 H +ATOM 5668 N GLY A 391 -0.277 -64.226 -38.852 1.00 66.31 N +ATOM 5669 CA GLY A 391 -1.270 -63.224 -38.544 1.00 57.24 C +ATOM 5670 C GLY A 391 -1.014 -62.430 -37.285 1.00 69.31 C +ATOM 5671 O GLY A 391 -1.836 -61.568 -36.947 1.00 73.44 O +ATOM 5672 H GLY A 391 0.445 -64.003 -39.523 1.00 0.00 H +ATOM 5673 HA3 GLY A 391 -2.250 -63.696 -38.479 1.00 0.00 H +ATOM 5674 HA2 GLY A 391 -1.366 -62.541 -39.388 1.00 0.00 H +ATOM 5675 N PHE A 392 0.086 -62.692 -36.576 1.00 68.59 N +ATOM 5676 CA PHE A 392 0.461 -61.909 -35.395 1.00 57.78 C +ATOM 5677 C PHE A 392 0.587 -60.434 -35.770 1.00 54.85 C +ATOM 5678 O PHE A 392 0.824 -60.123 -36.936 1.00 70.08 O +ATOM 5679 CB PHE A 392 1.783 -62.420 -34.803 1.00 56.98 C +ATOM 5680 CG PHE A 392 2.966 -62.251 -35.724 1.00 60.30 C +ATOM 5681 CD1 PHE A 392 3.644 -61.036 -35.802 1.00 50.21 C +ATOM 5682 CE1 PHE A 392 4.726 -60.877 -36.654 1.00 57.67 C +ATOM 5683 CZ PHE A 392 5.151 -61.938 -37.434 1.00 66.35 C +ATOM 5684 CE2 PHE A 392 4.484 -63.162 -37.365 1.00 75.98 C +ATOM 5685 CD2 PHE A 392 3.400 -63.309 -36.513 1.00 73.12 C +ATOM 5686 H PHE A 392 0.693 -63.452 -36.848 1.00 0.00 H +ATOM 5687 HA PHE A 392 -0.322 -62.013 -34.644 1.00 0.00 H +ATOM 5688 HB3 PHE A 392 1.678 -63.472 -34.539 1.00 0.00 H +ATOM 5689 HB2 PHE A 392 1.981 -61.906 -33.862 1.00 0.00 H +ATOM 5690 HD1 PHE A 392 3.328 -60.201 -35.193 1.00 0.00 H +ATOM 5691 HE1 PHE A 392 5.236 -59.926 -36.708 1.00 0.00 H +ATOM 5692 HZ PHE A 392 5.997 -61.818 -38.094 1.00 0.00 H +ATOM 5693 HE2 PHE A 392 4.813 -63.991 -37.974 1.00 0.00 H +ATOM 5694 HD2 PHE A 392 2.892 -64.261 -36.467 1.00 0.00 H +ATOM 5695 N PRO A 393 0.483 -59.518 -34.789 1.00 56.34 N +ATOM 5696 CA PRO A 393 0.278 -59.706 -33.344 1.00 54.61 C +ATOM 5697 C PRO A 393 -1.096 -60.261 -32.991 1.00 62.89 C +ATOM 5698 O PRO A 393 -2.092 -59.947 -33.633 1.00 61.58 O +ATOM 5699 CB PRO A 393 0.451 -58.296 -32.772 1.00 54.06 C +ATOM 5700 CG PRO A 393 0.207 -57.378 -33.925 1.00 54.57 C +ATOM 5701 CD PRO A 393 0.727 -58.106 -35.129 1.00 52.84 C +ATOM 5702 HA PRO A 393 1.052 -60.362 -32.945 1.00 0.00 H +ATOM 5703 HB3 PRO A 393 1.476 -58.171 -32.421 1.00 0.00 H +ATOM 5704 HB2 PRO A 393 -0.304 -58.122 -32.005 1.00 0.00 H +ATOM 5705 HG3 PRO A 393 0.777 -56.460 -33.783 1.00 0.00 H +ATOM 5706 HG2 PRO A 393 -0.865 -57.214 -34.036 1.00 0.00 H +ATOM 5707 HD2 PRO A 393 0.127 -57.837 -35.999 1.00 0.00 H +ATOM 5708 HD3 PRO A 393 1.800 -57.937 -35.215 1.00 0.00 H +ATOM 5709 N HIS A 394 -1.138 -61.107 -31.973 1.00 61.15 N +ATOM 5710 CA HIS A 394 -2.384 -61.703 -31.543 1.00 61.68 C +ATOM 5711 C HIS A 394 -2.785 -61.103 -30.207 1.00 61.16 C +ATOM 5712 O HIS A 394 -1.994 -61.168 -29.255 1.00 55.21 O +ATOM 5713 CB HIS A 394 -2.236 -63.213 -31.417 1.00 59.10 C +ATOM 5714 CG HIS A 394 -1.763 -63.887 -32.663 1.00 62.05 C +ATOM 5715 ND1 HIS A 394 -2.623 -64.308 -33.653 1.00 63.40 N +ATOM 5716 CE1 HIS A 394 -1.930 -64.884 -34.620 1.00 63.90 C +ATOM 5717 NE2 HIS A 394 -0.650 -64.850 -34.292 1.00 58.19 N +ATOM 5718 CD2 HIS A 394 -0.520 -64.240 -33.068 1.00 62.20 C +ATOM 5719 H HIS A 394 -0.289 -61.347 -31.481 1.00 0.00 H +ATOM 5720 HA HIS A 394 -3.157 -61.481 -32.279 1.00 0.00 H +ATOM 5721 HB3 HIS A 394 -3.189 -63.645 -31.112 1.00 0.00 H +ATOM 5722 HB2 HIS A 394 -1.551 -63.442 -30.600 1.00 0.00 H +ATOM 5723 HE1 HIS A 394 -2.438 -65.280 -35.487 1.00 0.00 H +ATOM 5724 HD2 HIS A 394 0.334 -64.021 -32.444 1.00 0.00 H +ATOM 5725 HE2 HIS A 394 0.042 -65.240 -34.916 1.00 0.00 H +ATOM 5726 N PRO A 395 -3.974 -60.502 -30.082 1.00 59.70 N +ATOM 5727 CA PRO A 395 -4.439 -60.058 -28.761 1.00 55.29 C +ATOM 5728 C PRO A 395 -5.248 -61.138 -28.059 1.00 56.06 C +ATOM 5729 O PRO A 395 -6.388 -61.422 -28.446 1.00 50.85 O +ATOM 5730 CB PRO A 395 -5.294 -58.822 -29.084 1.00 50.69 C +ATOM 5731 CG PRO A 395 -5.411 -58.783 -30.625 1.00 51.29 C +ATOM 5732 CD PRO A 395 -4.902 -60.089 -31.142 1.00 53.25 C +ATOM 5733 HA PRO A 395 -3.588 -59.771 -28.144 1.00 0.00 H +ATOM 5734 HB3 PRO A 395 -4.780 -57.926 -28.737 1.00 0.00 H +ATOM 5735 HB2 PRO A 395 -6.286 -58.944 -28.649 1.00 0.00 H +ATOM 5736 HG3 PRO A 395 -4.794 -57.973 -31.015 1.00 0.00 H +ATOM 5737 HG2 PRO A 395 -6.457 -58.665 -30.906 1.00 0.00 H +ATOM 5738 HD2 PRO A 395 -5.726 -60.800 -31.194 1.00 0.00 H +ATOM 5739 HD3 PRO A 395 -4.343 -59.917 -32.062 1.00 0.00 H +ATOM 5740 N PHE A 396 -4.670 -61.769 -27.043 1.00 58.79 N +ATOM 5741 CA PHE A 396 -5.396 -62.799 -26.318 1.00 56.16 C +ATOM 5742 C PHE A 396 -6.250 -62.162 -25.248 1.00 56.10 C +ATOM 5743 O PHE A 396 -5.928 -61.093 -24.720 1.00 60.92 O +ATOM 5744 CB PHE A 396 -4.462 -63.845 -25.695 1.00 48.90 C +ATOM 5745 CG PHE A 396 -4.236 -65.033 -26.593 1.00 51.85 C +ATOM 5746 CD1 PHE A 396 -3.382 -64.935 -27.689 1.00 55.99 C +ATOM 5747 CE1 PHE A 396 -3.188 -66.008 -28.534 1.00 55.19 C +ATOM 5748 CZ PHE A 396 -3.852 -67.191 -28.302 1.00 57.54 C +ATOM 5749 CE2 PHE A 396 -4.718 -67.297 -27.222 1.00 52.77 C +ATOM 5750 CD2 PHE A 396 -4.906 -66.217 -26.378 1.00 49.24 C +ATOM 5751 H PHE A 396 -3.726 -61.533 -26.774 1.00 0.00 H +ATOM 5752 HA PHE A 396 -6.056 -63.308 -27.021 1.00 0.00 H +ATOM 5753 HB3 PHE A 396 -4.878 -64.182 -24.746 1.00 0.00 H +ATOM 5754 HB2 PHE A 396 -3.504 -63.381 -25.460 1.00 0.00 H +ATOM 5755 HD1 PHE A 396 -2.861 -64.010 -27.887 1.00 0.00 H +ATOM 5756 HE1 PHE A 396 -2.516 -65.918 -29.375 1.00 0.00 H +ATOM 5757 HZ PHE A 396 -3.699 -68.034 -28.959 1.00 0.00 H +ATOM 5758 HE2 PHE A 396 -5.245 -68.222 -27.041 1.00 0.00 H +ATOM 5759 HD2 PHE A 396 -5.586 -66.309 -25.544 1.00 0.00 H +ATOM 5760 N HIS A 397 -7.355 -62.831 -24.942 1.00 54.33 N +ATOM 5761 CA HIS A 397 -8.339 -62.326 -24.003 1.00 57.47 C +ATOM 5762 C HIS A 397 -8.843 -63.464 -23.125 1.00 61.72 C +ATOM 5763 O HIS A 397 -9.098 -64.571 -23.608 1.00 52.45 O +ATOM 5764 CB HIS A 397 -9.488 -61.668 -24.758 1.00 56.69 C +ATOM 5765 CG HIS A 397 -10.737 -61.546 -23.957 1.00 60.10 C +ATOM 5766 ND1 HIS A 397 -10.765 -60.949 -22.716 1.00 58.81 N +ATOM 5767 CE1 HIS A 397 -11.996 -60.988 -22.245 1.00 56.56 C +ATOM 5768 NE2 HIS A 397 -12.766 -61.586 -23.135 1.00 58.30 N +ATOM 5769 CD2 HIS A 397 -12.003 -61.946 -24.215 1.00 49.72 C +ATOM 5770 H HIS A 397 -7.537 -63.728 -25.369 1.00 0.00 H +ATOM 5771 HA HIS A 397 -7.864 -61.578 -23.368 1.00 0.00 H +ATOM 5772 HB3 HIS A 397 -9.695 -62.234 -25.666 1.00 0.00 H +ATOM 5773 HB2 HIS A 397 -9.178 -60.680 -25.098 1.00 0.00 H +ATOM 5774 HD1 HIS A 397 -9.917 -60.571 -22.318 1.00 0.00 H +ATOM 5775 HE1 HIS A 397 -12.217 -60.566 -21.275 1.00 0.00 H +ATOM 5776 HD2 HIS A 397 -12.232 -62.447 -25.144 1.00 0.00 H +ATOM 5777 N LEU A 398 -8.980 -63.186 -21.833 1.00 56.81 N +ATOM 5778 CA LEU A 398 -9.427 -64.167 -20.851 1.00 50.21 C +ATOM 5779 C LEU A 398 -10.780 -63.730 -20.296 1.00 58.81 C +ATOM 5780 O LEU A 398 -10.880 -62.674 -19.656 1.00 50.18 O +ATOM 5781 CB LEU A 398 -8.404 -64.305 -19.725 1.00 45.03 C +ATOM 5782 CG LEU A 398 -8.703 -65.302 -18.610 1.00 48.62 C +ATOM 5783 CD1 LEU A 398 -8.546 -66.731 -19.129 1.00 54.07 C +ATOM 5784 CD2 LEU A 398 -7.797 -65.042 -17.406 1.00 45.02 C +ATOM 5785 H LEU A 398 -8.771 -62.259 -21.491 1.00 0.00 H +ATOM 5786 HA LEU A 398 -9.542 -65.132 -21.344 1.00 0.00 H +ATOM 5787 HB3 LEU A 398 -8.220 -63.324 -19.287 1.00 0.00 H +ATOM 5788 HB2 LEU A 398 -7.428 -64.531 -20.155 1.00 0.00 H +ATOM 5789 HG LEU A 398 -9.738 -65.164 -18.296 1.00 0.00 H +ATOM 5790 HD11 LEU A 398 -8.762 -67.436 -18.326 1.00 0.00 H +ATOM 5791 HD12 LEU A 398 -9.240 -66.897 -19.953 1.00 0.00 H +ATOM 5792 HD13 LEU A 398 -7.525 -66.881 -19.479 1.00 0.00 H +ATOM 5793 HD21 LEU A 398 -8.022 -65.761 -16.619 1.00 0.00 H +ATOM 5794 HD22 LEU A 398 -6.754 -65.147 -17.706 1.00 0.00 H +ATOM 5795 HD23 LEU A 398 -7.967 -64.032 -17.034 1.00 0.00 H +ATOM 5796 N HIS A 399 -11.812 -64.533 -20.561 1.00 50.36 N +ATOM 5797 CA HIS A 399 -13.121 -64.365 -19.942 1.00 49.62 C +ATOM 5798 C HIS A 399 -13.067 -64.547 -18.428 1.00 53.70 C +ATOM 5799 O HIS A 399 -12.239 -65.291 -17.894 1.00 60.40 O +ATOM 5800 CB HIS A 399 -14.114 -65.391 -20.495 1.00 51.79 C +ATOM 5801 CG HIS A 399 -14.505 -65.154 -21.919 1.00 54.56 C +ATOM 5802 ND1 HIS A 399 -15.819 -65.155 -22.340 1.00 49.37 N +ATOM 5803 CE1 HIS A 399 -15.859 -64.927 -23.642 1.00 47.35 C +ATOM 5804 NE2 HIS A 399 -14.619 -64.775 -24.077 1.00 50.71 N +ATOM 5805 CD2 HIS A 399 -13.753 -64.917 -23.021 1.00 42.96 C +ATOM 5806 H HIS A 399 -11.704 -65.295 -21.215 1.00 0.00 H +ATOM 5807 HA HIS A 399 -13.489 -63.363 -20.163 1.00 0.00 H +ATOM 5808 HB3 HIS A 399 -15.008 -65.401 -19.872 1.00 0.00 H +ATOM 5809 HB2 HIS A 399 -13.692 -66.391 -20.398 1.00 0.00 H +ATOM 5810 HD1 HIS A 399 -16.562 -65.315 -21.675 1.00 0.00 H +ATOM 5811 HE1 HIS A 399 -16.809 -64.894 -24.155 1.00 0.00 H +ATOM 5812 HD2 HIS A 399 -12.677 -64.874 -22.941 1.00 0.00 H +ATOM 5813 N GLY A 400 -14.001 -63.888 -17.745 1.00 45.60 N +ATOM 5814 CA GLY A 400 -14.293 -64.140 -16.352 1.00 41.24 C +ATOM 5815 C GLY A 400 -13.251 -63.652 -15.381 1.00 38.94 C +ATOM 5816 O GLY A 400 -13.299 -64.037 -14.214 1.00 47.37 O +ATOM 5817 H GLY A 400 -14.547 -63.171 -18.200 1.00 0.00 H +ATOM 5818 HA3 GLY A 400 -14.451 -65.208 -16.204 1.00 0.00 H +ATOM 5819 HA2 GLY A 400 -15.256 -63.697 -16.100 1.00 0.00 H +ATOM 5820 N HIS A 401 -12.309 -62.821 -15.830 1.00 49.38 N +ATOM 5821 CA HIS A 401 -11.169 -62.436 -15.017 1.00 48.43 C +ATOM 5822 C HIS A 401 -10.556 -61.154 -15.558 1.00 51.07 C +ATOM 5823 O HIS A 401 -10.465 -60.951 -16.773 1.00 41.86 O +ATOM 5824 CB HIS A 401 -10.080 -63.522 -14.993 1.00 49.19 C +ATOM 5825 CG HIS A 401 -10.442 -64.750 -14.214 1.00 41.57 C +ATOM 5826 ND1 HIS A 401 -10.420 -64.794 -12.839 1.00 40.57 N1+ +ATOM 5827 CE1 HIS A 401 -10.768 -65.999 -12.432 1.00 49.58 C +ATOM 5828 NE2 HIS A 401 -11.011 -66.744 -13.494 1.00 49.75 N +ATOM 5829 CD2 HIS A 401 -10.812 -65.986 -14.624 1.00 46.70 C +ATOM 5830 H HIS A 401 -12.376 -62.439 -16.762 1.00 0.00 H +ATOM 5831 HA HIS A 401 -11.510 -62.259 -13.997 1.00 0.00 H +ATOM 5832 HB3 HIS A 401 -9.158 -63.100 -14.593 1.00 0.00 H +ATOM 5833 HB2 HIS A 401 -9.829 -63.804 -16.015 1.00 0.00 H +ATOM 5834 HD1 HIS A 401 -10.162 -63.972 -12.312 1.00 0.00 H +ATOM 5835 HE1 HIS A 401 -10.811 -66.221 -11.376 1.00 0.00 H +ATOM 5836 HD2 HIS A 401 -10.897 -66.202 -15.679 1.00 0.00 H +ATOM 5837 HE2 HIS A 401 -11.293 -67.707 -13.381 1.00 0.00 H +ATOM 5838 N THR A 402 -10.104 -60.313 -14.649 1.00 44.90 N +ATOM 5839 CA THR A 402 -9.053 -59.377 -14.986 1.00 52.82 C +ATOM 5840 C THR A 402 -7.710 -60.071 -14.714 1.00 38.46 C +ATOM 5841 O THR A 402 -7.619 -60.959 -13.873 1.00 49.47 O +ATOM 5842 CB THR A 402 -9.225 -58.092 -14.170 1.00 44.05 C +ATOM 5843 OG1 THR A 402 -8.369 -57.076 -14.692 1.00 68.01 O +ATOM 5844 CG2 THR A 402 -8.880 -58.339 -12.713 1.00 47.86 C +ATOM 5845 H THR A 402 -10.491 -60.321 -13.716 1.00 0.00 H +ATOM 5846 HA THR A 402 -9.119 -59.135 -16.047 1.00 0.00 H +ATOM 5847 HB THR A 402 -10.260 -57.759 -14.241 1.00 0.00 H +ATOM 5848 HG1 THR A 402 -8.597 -56.905 -15.609 1.00 0.00 H +ATOM 5849 HG21 THR A 402 -9.008 -57.416 -12.147 1.00 0.00 H +ATOM 5850 HG22 THR A 402 -9.539 -59.107 -12.308 1.00 0.00 H +ATOM 5851 HG23 THR A 402 -7.845 -58.672 -12.636 1.00 0.00 H +ATOM 5852 N PHE A 403 -6.688 -59.730 -15.479 1.00 46.47 N +ATOM 5853 CA PHE A 403 -5.365 -60.255 -15.178 1.00 51.99 C +ATOM 5854 C PHE A 403 -4.352 -59.123 -15.151 1.00 56.49 C +ATOM 5855 O PHE A 403 -4.576 -58.041 -15.698 1.00 48.03 O +ATOM 5856 CB PHE A 403 -4.917 -61.363 -16.156 1.00 48.07 C +ATOM 5857 CG PHE A 403 -5.112 -61.029 -17.602 1.00 50.37 C +ATOM 5858 CD1 PHE A 403 -4.136 -60.355 -18.306 1.00 44.72 C +ATOM 5859 CE1 PHE A 403 -4.304 -60.057 -19.631 1.00 46.19 C +ATOM 5860 CZ PHE A 403 -5.459 -60.432 -20.289 1.00 49.14 C +ATOM 5861 CE2 PHE A 403 -6.444 -61.111 -19.609 1.00 53.33 C +ATOM 5862 CD2 PHE A 403 -6.270 -61.409 -18.267 1.00 57.37 C +ATOM 5863 H PHE A 403 -6.829 -59.110 -16.264 1.00 0.00 H +ATOM 5864 HA PHE A 403 -5.401 -60.690 -14.179 1.00 0.00 H +ATOM 5865 HB3 PHE A 403 -5.448 -62.286 -15.924 1.00 0.00 H +ATOM 5866 HB2 PHE A 403 -3.868 -61.599 -15.978 1.00 0.00 H +ATOM 5867 HD1 PHE A 403 -3.224 -60.055 -17.812 1.00 0.00 H +ATOM 5868 HE1 PHE A 403 -3.531 -59.526 -20.167 1.00 0.00 H +ATOM 5869 HZ PHE A 403 -5.587 -60.192 -21.334 1.00 0.00 H +ATOM 5870 HE2 PHE A 403 -7.347 -61.409 -20.121 1.00 0.00 H +ATOM 5871 HD2 PHE A 403 -7.046 -61.942 -17.738 1.00 0.00 H +ATOM 5872 N ALA A 404 -3.244 -59.395 -14.465 1.00 56.16 N +ATOM 5873 CA ALA A 404 -2.121 -58.477 -14.341 1.00 56.91 C +ATOM 5874 C ALA A 404 -1.106 -58.779 -15.434 1.00 56.51 C +ATOM 5875 O ALA A 404 -0.685 -59.928 -15.591 1.00 57.12 O +ATOM 5876 CB ALA A 404 -1.474 -58.632 -12.963 1.00 53.95 C +ATOM 5877 H ALA A 404 -3.148 -60.282 -13.992 1.00 0.00 H +ATOM 5878 HA ALA A 404 -2.479 -57.454 -14.456 1.00 0.00 H +ATOM 5879 HB1 ALA A 404 -0.634 -57.943 -12.876 1.00 0.00 H +ATOM 5880 HB2 ALA A 404 -2.208 -58.409 -12.189 1.00 0.00 H +ATOM 5881 HB3 ALA A 404 -1.118 -59.655 -12.841 1.00 0.00 H +ATOM 5882 N VAL A 405 -0.721 -57.764 -16.204 1.00 63.89 N +ATOM 5883 CA VAL A 405 0.214 -57.976 -17.311 1.00 60.51 C +ATOM 5884 C VAL A 405 1.614 -57.793 -16.740 1.00 64.11 C +ATOM 5885 O VAL A 405 2.192 -56.701 -16.757 1.00 59.13 O +ATOM 5886 CB VAL A 405 -0.059 -57.060 -18.493 1.00 53.10 C +ATOM 5887 CG1 VAL A 405 1.054 -57.253 -19.541 1.00 45.51 C +ATOM 5888 CG2 VAL A 405 -1.423 -57.384 -19.082 1.00 49.16 C +ATOM 5889 H VAL A 405 -1.074 -56.834 -16.028 1.00 0.00 H +ATOM 5890 HA VAL A 405 0.115 -59.008 -17.649 1.00 0.00 H +ATOM 5891 HB VAL A 405 -0.053 -56.025 -18.152 1.00 0.00 H +ATOM 5892 HG11 VAL A 405 0.868 -56.600 -20.394 1.00 0.00 H +ATOM 5893 HG12 VAL A 405 2.018 -57.005 -19.098 1.00 0.00 H +ATOM 5894 HG13 VAL A 405 1.064 -58.291 -19.874 1.00 0.00 H +ATOM 5895 HG21 VAL A 405 -1.619 -56.727 -19.930 1.00 0.00 H +ATOM 5896 HG22 VAL A 405 -1.438 -58.421 -19.416 1.00 0.00 H +ATOM 5897 HG23 VAL A 405 -2.191 -57.236 -18.323 1.00 0.00 H +ATOM 5898 N VAL A 406 2.163 -58.896 -16.232 1.00 63.35 N +ATOM 5899 CA VAL A 406 3.456 -58.873 -15.560 1.00 60.69 C +ATOM 5900 C VAL A 406 4.591 -58.535 -16.531 1.00 56.19 C +ATOM 5901 O VAL A 406 5.623 -57.992 -16.123 1.00 63.13 O +ATOM 5902 CB VAL A 406 3.646 -60.226 -14.850 1.00 61.69 C +ATOM 5903 CG1 VAL A 406 5.099 -60.473 -14.484 1.00 64.10 C +ATOM 5904 CG2 VAL A 406 2.740 -60.277 -13.614 1.00 46.58 C +ATOM 5905 H VAL A 406 1.681 -59.781 -16.307 1.00 0.00 H +ATOM 5906 HA VAL A 406 3.424 -58.095 -14.797 1.00 0.00 H +ATOM 5907 HB VAL A 406 3.331 -61.014 -15.534 1.00 0.00 H +ATOM 5908 HG11 VAL A 406 5.190 -61.438 -13.985 1.00 0.00 H +ATOM 5909 HG12 VAL A 406 5.707 -60.474 -15.389 1.00 0.00 H +ATOM 5910 HG13 VAL A 406 5.445 -59.685 -13.815 1.00 0.00 H +ATOM 5911 HG21 VAL A 406 2.870 -61.233 -13.107 1.00 0.00 H +ATOM 5912 HG22 VAL A 406 3.005 -59.467 -12.935 1.00 0.00 H +ATOM 5913 HG23 VAL A 406 1.700 -60.167 -13.921 1.00 0.00 H +ATOM 5914 N ARG A 407 4.418 -58.821 -17.819 1.00 54.95 N +ATOM 5915 CA ARG A 407 5.415 -58.470 -18.827 1.00 56.94 C +ATOM 5916 C ARG A 407 4.692 -58.201 -20.138 1.00 47.86 C +ATOM 5917 O ARG A 407 4.086 -59.114 -20.708 1.00 59.27 O +ATOM 5918 CB ARG A 407 6.459 -59.591 -18.992 1.00 61.19 C +ATOM 5919 CG ARG A 407 7.323 -59.451 -20.243 1.00 65.39 C +ATOM 5920 CD ARG A 407 8.377 -60.554 -20.369 1.00 65.37 C +ATOM 5921 NE ARG A 407 8.956 -60.558 -21.711 1.00 65.90 N +ATOM 5922 CZ ARG A 407 9.918 -61.372 -22.129 1.00 72.42 C +ATOM 5923 NH1 ARG A 407 10.441 -62.276 -21.309 1.00 65.02 N +ATOM 5924 NH2 ARG A 407 10.357 -61.279 -23.379 1.00 78.11 N1+ +ATOM 5925 H ARG A 407 3.579 -59.294 -18.123 1.00 0.00 H +ATOM 5926 HA ARG A 407 5.925 -57.559 -18.514 1.00 0.00 H +ATOM 5927 HB3 ARG A 407 5.953 -60.556 -19.008 1.00 0.00 H +ATOM 5928 HB2 ARG A 407 7.100 -59.620 -18.111 1.00 0.00 H +ATOM 5929 HG3 ARG A 407 7.816 -58.479 -20.236 1.00 0.00 H +ATOM 5930 HG2 ARG A 407 6.685 -59.458 -21.126 1.00 0.00 H +ATOM 5931 HD3 ARG A 407 7.916 -61.521 -20.170 1.00 0.00 H +ATOM 5932 HD2 ARG A 407 9.165 -60.389 -19.634 1.00 0.00 H +ATOM 5933 HE ARG A 407 8.566 -59.872 -22.341 1.00 0.00 H +ATOM 5934 HH12 ARG A 407 11.172 -62.891 -21.636 1.00 0.00 H +ATOM 5935 HH11 ARG A 407 10.107 -62.349 -20.358 1.00 0.00 H +ATOM 5936 HH22 ARG A 407 11.089 -61.895 -23.704 1.00 0.00 H +ATOM 5937 HH21 ARG A 407 9.959 -60.593 -24.004 1.00 0.00 H +ATOM 5938 N SER A 408 4.757 -56.963 -20.625 1.00 54.46 N +ATOM 5939 CA SER A 408 3.966 -56.593 -21.791 1.00 62.77 C +ATOM 5940 C SER A 408 4.681 -56.964 -23.086 1.00 69.47 C +ATOM 5941 O SER A 408 5.822 -57.431 -23.090 1.00 74.72 O +ATOM 5942 CB SER A 408 3.638 -55.102 -21.771 1.00 48.87 C +ATOM 5943 OG SER A 408 2.656 -54.833 -20.792 1.00 62.93 O +ATOM 5944 H SER A 408 5.356 -56.278 -20.186 1.00 0.00 H +ATOM 5945 HA SER A 408 3.028 -57.146 -21.752 1.00 0.00 H +ATOM 5946 HB3 SER A 408 3.267 -54.799 -22.750 1.00 0.00 H +ATOM 5947 HB2 SER A 408 4.541 -54.535 -21.545 1.00 0.00 H +ATOM 5948 HG SER A 408 1.807 -54.697 -21.218 1.00 0.00 H +ATOM 5949 N ALA A 409 3.992 -56.749 -24.205 1.00 62.40 N +ATOM 5950 CA ALA A 409 4.602 -56.931 -25.512 1.00 65.80 C +ATOM 5951 C ALA A 409 5.586 -55.808 -25.807 1.00 59.37 C +ATOM 5952 O ALA A 409 5.322 -54.636 -25.520 1.00 50.08 O +ATOM 5953 CB ALA A 409 3.528 -56.982 -26.596 1.00 76.40 C +ATOM 5954 H ALA A 409 3.027 -56.454 -24.155 1.00 0.00 H +ATOM 5955 HA ALA A 409 5.143 -57.877 -25.514 1.00 0.00 H +ATOM 5956 HB1 ALA A 409 4.000 -57.119 -27.569 1.00 0.00 H +ATOM 5957 HB2 ALA A 409 2.852 -57.815 -26.400 1.00 0.00 H +ATOM 5958 HB3 ALA A 409 2.964 -56.049 -26.594 1.00 0.00 H +ATOM 5959 N GLY A 410 6.726 -56.174 -26.395 1.00 66.09 N +ATOM 5960 CA GLY A 410 7.786 -55.229 -26.687 1.00 67.92 C +ATOM 5961 C GLY A 410 8.755 -54.973 -25.554 1.00 68.93 C +ATOM 5962 O GLY A 410 9.574 -54.055 -25.655 1.00 70.92 O +ATOM 5963 H GLY A 410 6.874 -57.139 -26.653 1.00 0.00 H +ATOM 5964 HA3 GLY A 410 7.348 -54.284 -27.007 1.00 0.00 H +ATOM 5965 HA2 GLY A 410 8.338 -55.567 -27.564 1.00 0.00 H +ATOM 5966 N SER A 411 8.699 -55.757 -24.485 1.00 69.54 N +ATOM 5967 CA SER A 411 9.496 -55.498 -23.300 1.00 69.99 C +ATOM 5968 C SER A 411 10.090 -56.805 -22.796 1.00 71.21 C +ATOM 5969 O SER A 411 9.563 -57.891 -23.047 1.00 56.34 O +ATOM 5970 CB SER A 411 8.658 -54.837 -22.201 1.00 67.21 C +ATOM 5971 OG SER A 411 9.470 -54.383 -21.141 1.00 75.94 O +ATOM 5972 H SER A 411 8.089 -56.562 -24.480 1.00 0.00 H +ATOM 5973 HA SER A 411 10.311 -54.826 -23.568 1.00 0.00 H +ATOM 5974 HB3 SER A 411 7.930 -55.553 -21.819 1.00 0.00 H +ATOM 5975 HB2 SER A 411 8.107 -53.996 -22.622 1.00 0.00 H +ATOM 5976 HG SER A 411 9.728 -53.472 -21.302 1.00 0.00 H +ATOM 5977 N SER A 412 11.199 -56.680 -22.072 1.00 74.82 N +ATOM 5978 CA SER A 412 11.881 -57.819 -21.482 1.00 80.96 C +ATOM 5979 C SER A 412 11.751 -57.875 -19.968 1.00 80.35 C +ATOM 5980 O SER A 412 12.088 -58.903 -19.373 1.00 79.16 O +ATOM 5981 CB SER A 412 13.371 -57.793 -21.863 1.00 90.72 C +ATOM 5982 OG SER A 412 14.119 -58.725 -21.103 1.00 98.57 O +ATOM 5983 H SER A 412 11.599 -55.766 -21.914 1.00 0.00 H +ATOM 5984 HA SER A 412 11.442 -58.728 -21.894 1.00 0.00 H +ATOM 5985 HB3 SER A 412 13.769 -56.791 -21.702 1.00 0.00 H +ATOM 5986 HB2 SER A 412 13.478 -58.021 -22.924 1.00 0.00 H +ATOM 5987 HG SER A 412 14.041 -58.513 -20.170 1.00 0.00 H +ATOM 5988 N THR A 413 11.257 -56.812 -19.339 1.00 83.01 N +ATOM 5989 CA THR A 413 11.221 -56.707 -17.890 1.00 79.40 C +ATOM 5990 C THR A 413 9.977 -57.388 -17.319 1.00 70.13 C +ATOM 5991 O THR A 413 9.021 -57.700 -18.031 1.00 66.00 O +ATOM 5992 CB THR A 413 11.257 -55.238 -17.472 1.00 86.16 C +ATOM 5993 OG1 THR A 413 9.983 -54.635 -17.731 1.00 99.73 O +ATOM 5994 CG2 THR A 413 12.310 -54.501 -18.279 1.00 77.32 C +ATOM 5995 H THR A 413 10.888 -56.037 -19.871 1.00 0.00 H +ATOM 5996 HA THR A 413 12.103 -57.203 -17.485 1.00 0.00 H +ATOM 5997 HB THR A 413 11.490 -55.164 -16.410 1.00 0.00 H +ATOM 5998 HG1 THR A 413 9.289 -55.175 -17.346 1.00 0.00 H +ATOM 5999 HG21 THR A 413 12.332 -53.454 -17.978 1.00 0.00 H +ATOM 6000 HG22 THR A 413 13.287 -54.951 -18.100 1.00 0.00 H +ATOM 6001 HG23 THR A 413 12.069 -54.568 -19.340 1.00 0.00 H +ATOM 6002 N TYR A 414 10.003 -57.607 -16.006 1.00 66.75 N +ATOM 6003 CA TYR A 414 8.931 -58.283 -15.286 1.00 63.44 C +ATOM 6004 C TYR A 414 8.504 -57.408 -14.122 1.00 66.33 C +ATOM 6005 O TYR A 414 9.296 -57.165 -13.207 1.00 70.91 O +ATOM 6006 CB TYR A 414 9.379 -59.657 -14.773 1.00 63.91 C +ATOM 6007 CG TYR A 414 9.577 -60.682 -15.863 1.00 63.25 C +ATOM 6008 CD1 TYR A 414 10.743 -60.710 -16.614 1.00 69.09 C +ATOM 6009 CE1 TYR A 414 10.922 -61.648 -17.621 1.00 75.05 C +ATOM 6010 CZ TYR A 414 9.932 -62.569 -17.876 1.00 70.64 C +ATOM 6011 OH TYR A 414 10.107 -63.502 -18.875 1.00 90.05 O +ATOM 6012 CE2 TYR A 414 8.768 -62.559 -17.140 1.00 60.75 C +ATOM 6013 CD2 TYR A 414 8.595 -61.619 -16.145 1.00 61.13 C +ATOM 6014 H TYR A 414 10.794 -57.299 -15.458 1.00 0.00 H +ATOM 6015 HA TYR A 414 8.083 -58.416 -15.958 1.00 0.00 H +ATOM 6016 HB3 TYR A 414 8.649 -60.030 -14.054 1.00 0.00 H +ATOM 6017 HB2 TYR A 414 10.304 -59.548 -14.207 1.00 0.00 H +ATOM 6018 HD1 TYR A 414 11.528 -59.995 -16.419 1.00 0.00 H +ATOM 6019 HE1 TYR A 414 11.834 -61.652 -18.199 1.00 0.00 H +ATOM 6020 HH TYR A 414 9.336 -64.072 -18.920 1.00 0.00 H +ATOM 6021 HE2 TYR A 414 7.995 -63.285 -17.343 1.00 0.00 H +ATOM 6022 HD2 TYR A 414 7.674 -61.622 -15.581 1.00 0.00 H +ATOM 6023 N ASN A 415 7.254 -56.952 -14.149 1.00 57.53 N +ATOM 6024 CA ASN A 415 6.691 -56.102 -13.104 1.00 51.57 C +ATOM 6025 C ASN A 415 5.667 -56.923 -12.330 1.00 62.29 C +ATOM 6026 O ASN A 415 4.638 -57.338 -12.883 1.00 48.87 O +ATOM 6027 CB ASN A 415 6.064 -54.840 -13.700 1.00 50.74 C +ATOM 6028 CG ASN A 415 5.520 -53.882 -12.638 1.00 55.46 C +ATOM 6029 OD1 ASN A 415 5.728 -54.076 -11.446 1.00 50.55 O +ATOM 6030 ND2 ASN A 415 4.828 -52.833 -13.081 1.00 58.46 N +ATOM 6031 H ASN A 415 6.646 -57.191 -14.919 1.00 0.00 H +ATOM 6032 HA ASN A 415 7.490 -55.808 -12.424 1.00 0.00 H +ATOM 6033 HB3 ASN A 415 5.260 -55.122 -14.380 1.00 0.00 H +ATOM 6034 HB2 ASN A 415 6.804 -54.322 -14.310 1.00 0.00 H +ATOM 6035 HD22 ASN A 415 4.445 -52.167 -12.425 1.00 0.00 H +ATOM 6036 HD21 ASN A 415 4.686 -52.704 -14.073 1.00 0.00 H +ATOM 6037 N TYR A 416 5.976 -57.187 -11.061 1.00 69.10 N +ATOM 6038 CA TYR A 416 5.038 -57.790 -10.126 1.00 53.49 C +ATOM 6039 C TYR A 416 4.509 -56.787 -9.122 1.00 48.87 C +ATOM 6040 O TYR A 416 3.428 -57.008 -8.562 1.00 47.66 O +ATOM 6041 CB TYR A 416 5.700 -58.948 -9.361 1.00 52.10 C +ATOM 6042 CG TYR A 416 6.350 -59.995 -10.250 1.00 55.61 C +ATOM 6043 CD1 TYR A 416 5.593 -61.011 -10.820 1.00 57.30 C +ATOM 6044 CE1 TYR A 416 6.178 -61.974 -11.633 1.00 54.35 C +ATOM 6045 CZ TYR A 416 7.533 -61.923 -11.888 1.00 57.88 C +ATOM 6046 OH TYR A 416 8.091 -62.878 -12.696 1.00 64.42 O +ATOM 6047 CE2 TYR A 416 8.320 -60.919 -11.338 1.00 46.63 C +ATOM 6048 CD2 TYR A 416 7.724 -59.963 -10.522 1.00 51.14 C +ATOM 6049 H TYR A 416 6.897 -56.967 -10.709 1.00 0.00 H +ATOM 6050 HA TYR A 416 4.196 -58.188 -10.692 1.00 0.00 H +ATOM 6051 HB3 TYR A 416 4.960 -59.427 -8.720 1.00 0.00 H +ATOM 6052 HB2 TYR A 416 6.444 -58.547 -8.672 1.00 0.00 H +ATOM 6053 HD1 TYR A 416 4.530 -61.062 -10.634 1.00 0.00 H +ATOM 6054 HE1 TYR A 416 5.572 -62.758 -12.063 1.00 0.00 H +ATOM 6055 HH TYR A 416 7.410 -63.488 -12.989 1.00 0.00 H +ATOM 6056 HE2 TYR A 416 9.379 -60.888 -11.546 1.00 0.00 H +ATOM 6057 HD2 TYR A 416 8.341 -59.186 -10.095 1.00 0.00 H +ATOM 6058 N ALA A 417 5.246 -55.692 -8.893 1.00 48.41 N +ATOM 6059 CA ALA A 417 4.895 -54.766 -7.820 1.00 54.95 C +ATOM 6060 C ALA A 417 3.626 -53.983 -8.141 1.00 59.49 C +ATOM 6061 O ALA A 417 2.751 -53.836 -7.278 1.00 65.99 O +ATOM 6062 CB ALA A 417 6.060 -53.818 -7.543 1.00 48.07 C +ATOM 6063 H ALA A 417 6.055 -55.499 -9.466 1.00 0.00 H +ATOM 6064 HA ALA A 417 4.712 -55.349 -6.917 1.00 0.00 H +ATOM 6065 HB1 ALA A 417 5.788 -53.132 -6.741 1.00 0.00 H +ATOM 6066 HB2 ALA A 417 6.936 -54.395 -7.245 1.00 0.00 H +ATOM 6067 HB3 ALA A 417 6.289 -53.250 -8.445 1.00 0.00 H +ATOM 6068 N ASN A 418 3.497 -53.487 -9.380 1.00 50.61 N +ATOM 6069 CA ASN A 418 2.322 -52.709 -9.752 1.00 49.06 C +ATOM 6070 C ASN A 418 2.046 -52.774 -11.256 1.00 52.84 C +ATOM 6071 O ASN A 418 1.970 -51.732 -11.923 1.00 49.29 O +ATOM 6072 CB ASN A 418 2.517 -51.257 -9.305 1.00 48.17 C +ATOM 6073 CG ASN A 418 3.752 -50.641 -9.913 1.00 48.71 C +ATOM 6074 OD1 ASN A 418 4.549 -51.339 -10.533 1.00 57.21 O +ATOM 6075 ND2 ASN A 418 3.927 -49.338 -9.736 1.00 46.47 N +ATOM 6076 H ASN A 418 4.219 -53.651 -10.067 1.00 0.00 H +ATOM 6077 HA ASN A 418 1.459 -53.117 -9.226 1.00 0.00 H +ATOM 6078 HB3 ASN A 418 2.590 -51.219 -8.218 1.00 0.00 H +ATOM 6079 HB2 ASN A 418 1.643 -50.670 -9.587 1.00 0.00 H +ATOM 6080 HD22 ASN A 418 4.739 -48.880 -10.124 1.00 0.00 H +ATOM 6081 HD21 ASN A 418 3.248 -48.804 -9.213 1.00 0.00 H +ATOM 6082 N PRO A 419 1.867 -53.961 -11.828 1.00 50.29 N +ATOM 6083 CA PRO A 419 1.606 -54.035 -13.267 1.00 45.62 C +ATOM 6084 C PRO A 419 0.180 -53.582 -13.584 1.00 49.13 C +ATOM 6085 O PRO A 419 -0.716 -53.647 -12.742 1.00 50.77 O +ATOM 6086 CB PRO A 419 1.814 -55.522 -13.586 1.00 44.13 C +ATOM 6087 CG PRO A 419 1.495 -56.246 -12.308 1.00 41.28 C +ATOM 6088 CD PRO A 419 1.715 -55.271 -11.160 1.00 43.55 C +ATOM 6089 HA PRO A 419 2.326 -53.427 -13.814 1.00 0.00 H +ATOM 6090 HB3 PRO A 419 2.858 -55.693 -13.847 1.00 0.00 H +ATOM 6091 HB2 PRO A 419 1.110 -55.828 -14.360 1.00 0.00 H +ATOM 6092 HG3 PRO A 419 2.167 -57.097 -12.195 1.00 0.00 H +ATOM 6093 HG2 PRO A 419 0.452 -56.562 -12.321 1.00 0.00 H +ATOM 6094 HD2 PRO A 419 0.827 -55.252 -10.528 1.00 0.00 H +ATOM 6095 HD3 PRO A 419 2.642 -55.523 -10.646 1.00 0.00 H +ATOM 6096 N VAL A 420 -0.027 -53.090 -14.810 1.00 53.36 N +ATOM 6097 CA VAL A 420 -1.397 -52.816 -15.240 1.00 58.50 C +ATOM 6098 C VAL A 420 -2.200 -54.120 -15.229 1.00 51.07 C +ATOM 6099 O VAL A 420 -1.655 -55.212 -15.436 1.00 41.82 O +ATOM 6100 CB VAL A 420 -1.446 -52.163 -16.632 1.00 53.38 C +ATOM 6101 CG1 VAL A 420 -1.032 -53.161 -17.701 1.00 41.47 C +ATOM 6102 CG2 VAL A 420 -2.851 -51.599 -16.932 1.00 46.16 C +ATOM 6103 H VAL A 420 0.757 -52.914 -15.422 1.00 0.00 H +ATOM 6104 HA VAL A 420 -1.849 -52.130 -14.524 1.00 0.00 H +ATOM 6105 HB VAL A 420 -0.737 -51.336 -16.645 1.00 0.00 H +ATOM 6106 HG11 VAL A 420 -1.072 -52.683 -18.680 1.00 0.00 H +ATOM 6107 HG12 VAL A 420 -0.016 -53.503 -17.505 1.00 0.00 H +ATOM 6108 HG13 VAL A 420 -1.711 -54.014 -17.685 1.00 0.00 H +ATOM 6109 HG21 VAL A 420 -2.856 -51.143 -17.922 1.00 0.00 H +ATOM 6110 HG22 VAL A 420 -3.582 -52.407 -16.900 1.00 0.00 H +ATOM 6111 HG23 VAL A 420 -3.108 -50.848 -16.186 1.00 0.00 H +ATOM 6112 N TYR A 421 -3.497 -54.001 -14.919 1.00 59.37 N +ATOM 6113 CA TYR A 421 -4.482 -55.073 -15.017 1.00 56.69 C +ATOM 6114 C TYR A 421 -5.410 -54.805 -16.192 1.00 55.98 C +ATOM 6115 O TYR A 421 -5.745 -53.649 -16.472 1.00 46.64 O +ATOM 6116 CB TYR A 421 -5.332 -55.189 -13.750 1.00 51.40 C +ATOM 6117 CG TYR A 421 -4.748 -56.016 -12.630 1.00 53.88 C +ATOM 6118 CD1 TYR A 421 -5.372 -57.191 -12.217 1.00 53.57 C +ATOM 6119 CE1 TYR A 421 -4.858 -57.953 -11.172 1.00 51.18 C +ATOM 6120 CZ TYR A 421 -3.701 -57.532 -10.536 1.00 52.73 C +ATOM 6121 OH TYR A 421 -3.188 -58.280 -9.513 1.00 53.47 O +ATOM 6122 CE2 TYR A 421 -3.059 -56.377 -10.928 1.00 54.81 C +ATOM 6123 CD2 TYR A 421 -3.584 -55.622 -11.974 1.00 59.17 C +ATOM 6124 H TYR A 421 -3.858 -53.118 -14.589 1.00 0.00 H +ATOM 6125 HA TYR A 421 -3.963 -56.017 -15.183 1.00 0.00 H +ATOM 6126 HB3 TYR A 421 -6.315 -55.581 -14.011 1.00 0.00 H +ATOM 6127 HB2 TYR A 421 -5.561 -54.190 -13.378 1.00 0.00 H +ATOM 6128 HD1 TYR A 421 -6.272 -57.526 -12.710 1.00 0.00 H +ATOM 6129 HE1 TYR A 421 -5.360 -58.859 -10.867 1.00 0.00 H +ATOM 6130 HH TYR A 421 -2.392 -57.861 -9.178 1.00 0.00 H +ATOM 6131 HE2 TYR A 421 -2.156 -56.064 -10.425 1.00 0.00 H +ATOM 6132 HD2 TYR A 421 -3.074 -54.719 -12.275 1.00 0.00 H +ATOM 6133 N ARG A 422 -5.863 -55.885 -16.837 1.00 61.98 N +ATOM 6134 CA ARG A 422 -6.573 -55.825 -18.115 1.00 58.55 C +ATOM 6135 C ARG A 422 -7.381 -57.102 -18.317 1.00 56.16 C +ATOM 6136 O ARG A 422 -7.338 -58.025 -17.498 1.00 54.08 O +ATOM 6137 CB ARG A 422 -5.597 -55.681 -19.280 1.00 68.17 C +ATOM 6138 CG ARG A 422 -5.541 -54.337 -19.910 1.00 64.44 C +ATOM 6139 CD ARG A 422 -5.019 -54.509 -21.295 1.00 60.35 C +ATOM 6140 NE ARG A 422 -4.159 -53.428 -21.713 1.00 64.41 N +ATOM 6141 CZ ARG A 422 -4.560 -52.362 -22.382 1.00 55.53 C +ATOM 6142 NH1 ARG A 422 -5.837 -52.216 -22.743 1.00 48.62 N +ATOM 6143 NH2 ARG A 422 -3.659 -51.440 -22.689 1.00 51.79 N1+ +ATOM 6144 H ARG A 422 -5.721 -56.804 -16.444 1.00 0.00 H +ATOM 6145 HA ARG A 422 -7.250 -54.971 -18.108 1.00 0.00 H +ATOM 6146 HB3 ARG A 422 -5.832 -56.426 -20.041 1.00 0.00 H +ATOM 6147 HB2 ARG A 422 -4.598 -55.966 -18.950 1.00 0.00 H +ATOM 6148 HG3 ARG A 422 -4.863 -53.699 -19.343 1.00 0.00 H +ATOM 6149 HG2 ARG A 422 -6.544 -53.913 -19.951 1.00 0.00 H +ATOM 6150 HD3 ARG A 422 -5.855 -54.595 -21.989 1.00 0.00 H +ATOM 6151 HD2 ARG A 422 -4.475 -55.451 -21.362 1.00 0.00 H +ATOM 6152 HE ARG A 422 -3.187 -53.528 -21.458 1.00 0.00 H +ATOM 6153 HH12 ARG A 422 -6.127 -51.394 -23.254 1.00 0.00 H +ATOM 6154 HH11 ARG A 422 -6.514 -52.927 -22.505 1.00 0.00 H +ATOM 6155 HH22 ARG A 422 -3.936 -50.614 -23.200 1.00 0.00 H +ATOM 6156 HH21 ARG A 422 -2.696 -51.563 -22.412 1.00 0.00 H +ATOM 6157 N ASP A 423 -8.106 -57.163 -19.444 1.00 52.92 N +ATOM 6158 CA ASP A 423 -8.615 -58.441 -19.922 1.00 56.47 C +ATOM 6159 C ASP A 423 -8.277 -58.751 -21.378 1.00 47.10 C +ATOM 6160 O ASP A 423 -8.580 -59.858 -21.827 1.00 48.53 O +ATOM 6161 CB ASP A 423 -10.140 -58.571 -19.697 1.00 51.75 C +ATOM 6162 CG ASP A 423 -10.979 -57.505 -20.416 1.00 52.91 C +ATOM 6163 OD1 ASP A 423 -10.801 -57.244 -21.630 1.00 55.00 O +ATOM 6164 OD2 ASP A 423 -11.874 -56.948 -19.749 1.00 68.58 O1- +ATOM 6165 H ASP A 423 -8.301 -56.320 -19.965 1.00 0.00 H +ATOM 6166 HA ASP A 423 -8.141 -59.214 -19.318 1.00 0.00 H +ATOM 6167 HB3 ASP A 423 -10.352 -58.537 -18.628 1.00 0.00 H +ATOM 6168 HB2 ASP A 423 -10.468 -59.562 -20.012 1.00 0.00 H +ATOM 6169 N VAL A 424 -7.654 -57.836 -22.125 1.00 55.80 N +ATOM 6170 CA VAL A 424 -7.137 -58.144 -23.463 1.00 54.80 C +ATOM 6171 C VAL A 424 -5.717 -57.610 -23.559 1.00 54.41 C +ATOM 6172 O VAL A 424 -5.482 -56.432 -23.282 1.00 48.80 O +ATOM 6173 CB VAL A 424 -7.992 -57.539 -24.602 1.00 52.48 C +ATOM 6174 CG1 VAL A 424 -7.384 -57.930 -25.971 1.00 46.53 C +ATOM 6175 CG2 VAL A 424 -9.442 -57.996 -24.518 1.00 42.70 C +ATOM 6176 H VAL A 424 -7.527 -56.898 -21.773 1.00 0.00 H +ATOM 6177 HA VAL A 424 -7.111 -59.227 -23.585 1.00 0.00 H +ATOM 6178 HB VAL A 424 -7.967 -56.453 -24.512 1.00 0.00 H +ATOM 6179 HG11 VAL A 424 -7.987 -57.503 -26.772 1.00 0.00 H +ATOM 6180 HG12 VAL A 424 -6.366 -57.547 -26.040 1.00 0.00 H +ATOM 6181 HG13 VAL A 424 -7.370 -59.016 -26.066 1.00 0.00 H +ATOM 6182 HG21 VAL A 424 -10.012 -57.551 -25.334 1.00 0.00 H +ATOM 6183 HG22 VAL A 424 -9.486 -59.082 -24.595 1.00 0.00 H +ATOM 6184 HG23 VAL A 424 -9.868 -57.682 -23.565 1.00 0.00 H +ATOM 6185 N VAL A 425 -4.775 -58.451 -23.996 1.00 52.27 N +ATOM 6186 CA VAL A 425 -3.370 -58.064 -24.035 1.00 50.89 C +ATOM 6187 C VAL A 425 -2.771 -58.431 -25.391 1.00 53.18 C +ATOM 6188 O VAL A 425 -3.002 -59.528 -25.908 1.00 45.31 O +ATOM 6189 CB VAL A 425 -2.576 -58.696 -22.867 1.00 56.22 C +ATOM 6190 CG1 VAL A 425 -2.580 -60.235 -22.922 1.00 55.74 C +ATOM 6191 CG2 VAL A 425 -1.164 -58.162 -22.830 1.00 58.24 C +ATOM 6192 H VAL A 425 -5.030 -59.377 -24.308 1.00 0.00 H +ATOM 6193 HA VAL A 425 -3.318 -56.981 -23.928 1.00 0.00 H +ATOM 6194 HB VAL A 425 -3.064 -58.399 -21.939 1.00 0.00 H +ATOM 6195 HG11 VAL A 425 -2.010 -60.631 -22.081 1.00 0.00 H +ATOM 6196 HG12 VAL A 425 -3.606 -60.598 -22.867 1.00 0.00 H +ATOM 6197 HG13 VAL A 425 -2.127 -60.567 -23.856 1.00 0.00 H +ATOM 6198 HG21 VAL A 425 -0.624 -58.620 -22.001 1.00 0.00 H +ATOM 6199 HG22 VAL A 425 -0.660 -58.400 -23.767 1.00 0.00 H +ATOM 6200 HG23 VAL A 425 -1.187 -57.081 -22.695 1.00 0.00 H +ATOM 6201 N ASN A 426 -2.019 -57.497 -25.976 1.00 60.18 N +ATOM 6202 CA ASN A 426 -1.240 -57.776 -27.179 1.00 57.26 C +ATOM 6203 C ASN A 426 -0.087 -58.713 -26.834 1.00 53.28 C +ATOM 6204 O ASN A 426 0.701 -58.416 -25.931 1.00 53.96 O +ATOM 6205 CB ASN A 426 -0.718 -56.466 -27.766 1.00 53.54 C +ATOM 6206 CG ASN A 426 0.376 -56.673 -28.810 1.00 54.47 C +ATOM 6207 OD1 ASN A 426 0.319 -57.600 -29.616 1.00 59.00 O +ATOM 6208 ND2 ASN A 426 1.370 -55.784 -28.809 1.00 54.87 N +ATOM 6209 H ASN A 426 -1.977 -56.566 -25.587 1.00 0.00 H +ATOM 6210 HA ASN A 426 -1.883 -58.261 -27.913 1.00 0.00 H +ATOM 6211 HB3 ASN A 426 -0.337 -55.836 -26.963 1.00 0.00 H +ATOM 6212 HB2 ASN A 426 -1.545 -55.914 -28.213 1.00 0.00 H +ATOM 6213 HD22 ASN A 426 2.123 -55.868 -29.476 1.00 0.00 H +ATOM 6214 HD21 ASN A 426 1.369 -55.027 -28.141 1.00 0.00 H +ATOM 6215 N THR A 427 0.008 -59.853 -27.527 1.00 54.43 N +ATOM 6216 CA THR A 427 1.095 -60.795 -27.268 1.00 56.33 C +ATOM 6217 C THR A 427 2.304 -60.573 -28.174 1.00 64.32 C +ATOM 6218 O THR A 427 3.301 -61.289 -28.037 1.00 64.76 O +ATOM 6219 CB THR A 427 0.616 -62.250 -27.382 1.00 55.08 C +ATOM 6220 OG1 THR A 427 0.040 -62.484 -28.669 1.00 49.74 O +ATOM 6221 CG2 THR A 427 -0.418 -62.556 -26.304 1.00 64.09 C +ATOM 6222 H THR A 427 -0.676 -60.070 -28.238 1.00 0.00 H +ATOM 6223 HA THR A 427 1.424 -60.639 -26.241 1.00 0.00 H +ATOM 6224 HB THR A 427 1.470 -62.914 -27.251 1.00 0.00 H +ATOM 6225 HG1 THR A 427 -0.255 -63.396 -28.727 1.00 0.00 H +ATOM 6226 HG21 THR A 427 -0.747 -63.591 -26.399 1.00 0.00 H +ATOM 6227 HG22 THR A 427 0.026 -62.405 -25.320 1.00 0.00 H +ATOM 6228 HG23 THR A 427 -1.274 -61.891 -26.421 1.00 0.00 H +ATOM 6229 N GLY A 428 2.241 -59.608 -29.090 1.00 54.62 N +ATOM 6230 CA GLY A 428 3.435 -59.134 -29.750 1.00 49.83 C +ATOM 6231 C GLY A 428 3.864 -59.984 -30.932 1.00 57.64 C +ATOM 6232 O GLY A 428 3.101 -60.779 -31.495 1.00 56.46 O +ATOM 6233 H GLY A 428 1.350 -59.198 -29.331 1.00 0.00 H +ATOM 6234 HA3 GLY A 428 4.250 -59.081 -29.028 1.00 0.00 H +ATOM 6235 HA2 GLY A 428 3.282 -58.107 -30.080 1.00 0.00 H +ATOM 6236 N SER A 429 5.125 -59.798 -31.311 1.00 60.53 N +ATOM 6237 CA SER A 429 5.748 -60.457 -32.448 1.00 68.55 C +ATOM 6238 C SER A 429 6.880 -61.359 -31.970 1.00 68.40 C +ATOM 6239 O SER A 429 7.300 -61.271 -30.810 1.00 58.13 O +ATOM 6240 CB SER A 429 6.271 -59.420 -33.456 1.00 67.02 C +ATOM 6241 OG SER A 429 6.680 -58.220 -32.819 1.00 73.89 O +ATOM 6242 H SER A 429 5.718 -59.163 -30.797 1.00 0.00 H +ATOM 6243 HA SER A 429 4.999 -61.075 -32.944 1.00 0.00 H +ATOM 6244 HB3 SER A 429 5.491 -59.196 -34.184 1.00 0.00 H +ATOM 6245 HB2 SER A 429 7.111 -59.842 -34.008 1.00 0.00 H +ATOM 6246 HG SER A 429 7.639 -58.194 -32.771 1.00 0.00 H +ATOM 6247 N PRO A 430 7.371 -62.284 -32.826 1.00 69.08 N +ATOM 6248 CA PRO A 430 8.399 -63.210 -32.333 1.00 61.46 C +ATOM 6249 C PRO A 430 9.696 -62.516 -31.930 1.00 66.12 C +ATOM 6250 O PRO A 430 10.043 -62.592 -30.749 1.00 74.98 O +ATOM 6251 CB PRO A 430 8.630 -64.167 -33.521 1.00 59.28 C +ATOM 6252 CG PRO A 430 7.879 -63.612 -34.674 1.00 60.77 C +ATOM 6253 CD PRO A 430 6.819 -62.711 -34.125 1.00 66.29 C +ATOM 6254 HA PRO A 430 8.007 -63.771 -31.484 1.00 0.00 H +ATOM 6255 HB3 PRO A 430 8.237 -65.153 -33.274 1.00 0.00 H +ATOM 6256 HB2 PRO A 430 9.693 -64.197 -33.761 1.00 0.00 H +ATOM 6257 HG3 PRO A 430 7.412 -64.426 -35.228 1.00 0.00 H +ATOM 6258 HG2 PRO A 430 8.556 -63.034 -35.303 1.00 0.00 H +ATOM 6259 HD2 PRO A 430 6.713 -61.842 -34.774 1.00 0.00 H +ATOM 6260 HD3 PRO A 430 5.909 -63.286 -33.958 1.00 0.00 H +ATOM 6261 N GLY A 431 10.038 -62.926 -30.219 1.00 62.53 N +ATOM 6262 CA GLY A 431 10.923 -62.220 -29.302 1.00 54.05 C +ATOM 6263 C GLY A 431 10.256 -61.818 -28.002 1.00 58.25 C +ATOM 6264 O GLY A 431 10.941 -61.677 -26.984 1.00 72.57 O +ATOM 6265 H GLY A 431 9.650 -63.796 -29.886 1.00 0.00 H +ATOM 6266 HA3 GLY A 431 11.321 -61.332 -29.794 1.00 0.00 H +ATOM 6267 HA2 GLY A 431 11.791 -62.843 -29.085 1.00 0.00 H +ATOM 6268 N ASP A 432 9.346 -61.631 -27.899 1.00 55.48 N +ATOM 6269 CA ASP A 432 8.328 -61.347 -26.887 1.00 60.02 C +ATOM 6270 C ASP A 432 7.825 -62.600 -26.195 1.00 62.40 C +ATOM 6271 O ASP A 432 7.686 -63.662 -26.807 1.00 66.49 O +ATOM 6272 CB ASP A 432 7.126 -60.627 -27.499 1.00 62.30 C +ATOM 6273 CG ASP A 432 7.379 -59.159 -27.709 1.00 64.95 C +ATOM 6274 OD1 ASP A 432 8.402 -58.651 -27.206 1.00 78.20 O +ATOM 6275 OD2 ASP A 432 6.550 -58.512 -28.368 1.00 63.75 O1- +ATOM 6276 H ASP A 432 10.127 -62.106 -27.468 1.00 0.00 H +ATOM 6277 HA ASP A 432 8.769 -60.695 -26.133 1.00 0.00 H +ATOM 6278 HB3 ASP A 432 6.258 -60.756 -26.852 1.00 0.00 H +ATOM 6279 HB2 ASP A 432 6.873 -61.091 -28.452 1.00 0.00 H +ATOM 6280 N ASN A 433 7.519 -62.452 -24.911 1.00 54.96 N +ATOM 6281 CA ASN A 433 6.983 -63.519 -24.094 1.00 59.91 C +ATOM 6282 C ASN A 433 6.033 -62.864 -23.088 1.00 58.51 C +ATOM 6283 O ASN A 433 6.339 -62.743 -21.905 1.00 61.20 O +ATOM 6284 CB ASN A 433 8.098 -64.302 -23.398 1.00 61.50 C +ATOM 6285 CG ASN A 433 7.647 -65.667 -22.917 1.00 64.81 C +ATOM 6286 OD1 ASN A 433 6.468 -66.019 -22.975 1.00 63.76 O +ATOM 6287 ND2 ASN A 433 8.598 -66.445 -22.437 1.00 71.07 N +ATOM 6288 H ASN A 433 7.658 -61.560 -24.458 1.00 0.00 H +ATOM 6289 HA ASN A 433 6.414 -64.199 -24.728 1.00 0.00 H +ATOM 6290 HB3 ASN A 433 8.472 -63.725 -22.552 1.00 0.00 H +ATOM 6291 HB2 ASN A 433 8.939 -64.419 -24.081 1.00 0.00 H +ATOM 6292 HD22 ASN A 433 8.371 -67.369 -22.098 1.00 0.00 H +ATOM 6293 HD21 ASN A 433 9.553 -66.117 -22.409 1.00 0.00 H +ATOM 6294 N VAL A 434 4.885 -62.412 -23.598 1.00 59.13 N +ATOM 6295 CA VAL A 434 3.866 -61.772 -22.769 1.00 65.84 C +ATOM 6296 C VAL A 434 3.358 -62.753 -21.716 1.00 64.84 C +ATOM 6297 O VAL A 434 2.990 -63.894 -22.027 1.00 62.48 O +ATOM 6298 CB VAL A 434 2.730 -61.252 -23.667 1.00 59.30 C +ATOM 6299 CG1 VAL A 434 1.567 -60.735 -22.848 1.00 54.00 C +ATOM 6300 CG2 VAL A 434 3.258 -60.160 -24.561 1.00 62.63 C +ATOM 6301 H VAL A 434 4.699 -62.508 -24.586 1.00 0.00 H +ATOM 6302 HA VAL A 434 4.320 -60.922 -22.259 1.00 0.00 H +ATOM 6303 HB VAL A 434 2.378 -62.073 -24.292 1.00 0.00 H +ATOM 6304 HG11 VAL A 434 0.783 -60.376 -23.515 1.00 0.00 H +ATOM 6305 HG12 VAL A 434 1.174 -61.539 -22.226 1.00 0.00 H +ATOM 6306 HG13 VAL A 434 1.905 -59.917 -22.212 1.00 0.00 H +ATOM 6307 HG21 VAL A 434 2.454 -59.791 -25.198 1.00 0.00 H +ATOM 6308 HG22 VAL A 434 3.641 -59.343 -23.950 1.00 0.00 H +ATOM 6309 HG23 VAL A 434 4.061 -60.555 -25.183 1.00 0.00 H +ATOM 6310 N THR A 435 3.351 -62.318 -20.452 1.00 59.27 N +ATOM 6311 CA THR A 435 2.958 -63.181 -19.343 1.00 62.19 C +ATOM 6312 C THR A 435 1.989 -62.464 -18.407 1.00 58.64 C +ATOM 6313 O THR A 435 2.132 -61.265 -18.137 1.00 52.95 O +ATOM 6314 CB THR A 435 4.180 -63.668 -18.558 1.00 68.10 C +ATOM 6315 OG1 THR A 435 4.887 -62.542 -18.020 1.00 80.81 O +ATOM 6316 CG2 THR A 435 5.109 -64.458 -19.478 1.00 60.18 C +ATOM 6317 H THR A 435 3.623 -61.368 -20.243 1.00 0.00 H +ATOM 6318 HA THR A 435 2.450 -64.053 -19.755 1.00 0.00 H +ATOM 6319 HB THR A 435 3.851 -64.310 -17.741 1.00 0.00 H +ATOM 6320 HG1 THR A 435 4.308 -62.050 -17.434 1.00 0.00 H +ATOM 6321 HG21 THR A 435 5.976 -64.801 -18.913 1.00 0.00 H +ATOM 6322 HG22 THR A 435 4.576 -65.318 -19.882 1.00 0.00 H +ATOM 6323 HG23 THR A 435 5.440 -63.819 -20.297 1.00 0.00 H +ATOM 6324 N ILE A 436 1.011 -63.215 -17.895 1.00 58.34 N +ATOM 6325 CA ILE A 436 -0.106 -62.648 -17.155 1.00 53.34 C +ATOM 6326 C ILE A 436 -0.360 -63.470 -15.898 1.00 49.27 C +ATOM 6327 O ILE A 436 -0.050 -64.658 -15.831 1.00 50.00 O +ATOM 6328 CB ILE A 436 -1.387 -62.594 -18.014 1.00 50.64 C +ATOM 6329 CG1 ILE A 436 -1.753 -64.015 -18.477 1.00 48.67 C +ATOM 6330 CD1 ILE A 436 -3.170 -64.162 -19.001 1.00 50.67 C +ATOM 6331 CG2 ILE A 436 -1.184 -61.672 -19.196 1.00 49.02 C +ATOM 6332 H ILE A 436 1.029 -64.218 -18.015 1.00 0.00 H +ATOM 6333 HA ILE A 436 0.155 -61.632 -16.858 1.00 0.00 H +ATOM 6334 HB ILE A 436 -2.201 -62.205 -17.403 1.00 0.00 H +ATOM 6335 HG13 ILE A 436 -1.598 -64.714 -17.655 1.00 0.00 H +ATOM 6336 HG12 ILE A 436 -1.049 -64.337 -19.244 1.00 0.00 H +ATOM 6337 HD11 ILE A 436 -3.340 -65.195 -19.305 1.00 0.00 H +ATOM 6338 HD12 ILE A 436 -3.878 -63.893 -18.217 1.00 0.00 H +ATOM 6339 HD13 ILE A 436 -3.311 -63.504 -19.858 1.00 0.00 H +ATOM 6340 HG21 ILE A 436 -2.094 -61.642 -19.795 1.00 0.00 H +ATOM 6341 HG22 ILE A 436 -0.951 -60.669 -18.839 1.00 0.00 H +ATOM 6342 HG23 ILE A 436 -0.360 -62.040 -19.807 1.00 0.00 H +ATOM 6343 N ARG A 437 -0.976 -62.829 -14.906 1.00 48.85 N +ATOM 6344 CA ARG A 437 -1.331 -63.508 -13.670 1.00 55.03 C +ATOM 6345 C ARG A 437 -2.766 -63.205 -13.264 1.00 51.19 C +ATOM 6346 O ARG A 437 -3.284 -62.112 -13.509 1.00 60.17 O +ATOM 6347 CB ARG A 437 -0.378 -63.115 -12.545 1.00 53.30 C +ATOM 6348 CG ARG A 437 0.958 -63.817 -12.648 1.00 52.93 C +ATOM 6349 CD ARG A 437 1.753 -63.642 -11.380 1.00 47.82 C +ATOM 6350 NE ARG A 437 3.041 -64.311 -11.460 1.00 61.66 N +ATOM 6351 CZ ARG A 437 3.964 -64.245 -10.512 1.00 61.62 C +ATOM 6352 NH1 ARG A 437 3.739 -63.532 -9.415 1.00 58.41 N +ATOM 6353 NH2 ARG A 437 5.110 -64.887 -10.664 1.00 65.34 N1+ +ATOM 6354 H ARG A 437 -1.206 -61.850 -15.003 1.00 0.00 H +ATOM 6355 HA ARG A 437 -1.242 -64.582 -13.833 1.00 0.00 H +ATOM 6356 HB3 ARG A 437 -0.836 -63.348 -11.584 1.00 0.00 H +ATOM 6357 HB2 ARG A 437 -0.223 -62.036 -12.562 1.00 0.00 H +ATOM 6358 HG3 ARG A 437 1.519 -63.407 -13.488 1.00 0.00 H +ATOM 6359 HG2 ARG A 437 0.797 -64.879 -12.832 1.00 0.00 H +ATOM 6360 HD3 ARG A 437 1.187 -64.043 -10.539 1.00 0.00 H +ATOM 6361 HD2 ARG A 437 1.907 -62.579 -11.192 1.00 0.00 H +ATOM 6362 HE ARG A 437 3.214 -64.849 -12.297 1.00 0.00 H +ATOM 6363 HH12 ARG A 437 4.443 -63.482 -8.692 1.00 0.00 H +ATOM 6364 HH11 ARG A 437 2.864 -63.040 -9.303 1.00 0.00 H +ATOM 6365 HH22 ARG A 437 5.816 -64.838 -9.943 1.00 0.00 H +ATOM 6366 HH21 ARG A 437 5.280 -65.426 -11.501 1.00 0.00 H +ATOM 6367 N PHE A 438 -3.399 -64.178 -12.615 1.00 47.97 N +ATOM 6368 CA PHE A 438 -4.716 -63.953 -12.025 1.00 55.85 C +ATOM 6369 C PHE A 438 -4.948 -64.972 -10.918 1.00 58.23 C +ATOM 6370 O PHE A 438 -4.288 -66.016 -10.861 1.00 58.09 O +ATOM 6371 CB PHE A 438 -5.824 -64.038 -13.085 1.00 52.24 C +ATOM 6372 CG PHE A 438 -5.890 -65.369 -13.785 1.00 51.12 C +ATOM 6373 CD1 PHE A 438 -5.004 -65.675 -14.807 1.00 49.65 C +ATOM 6374 CE1 PHE A 438 -5.060 -66.902 -15.462 1.00 48.60 C +ATOM 6375 CZ PHE A 438 -6.011 -67.828 -15.094 1.00 50.21 C +ATOM 6376 CE2 PHE A 438 -6.906 -67.536 -14.075 1.00 48.21 C +ATOM 6377 CD2 PHE A 438 -6.843 -66.308 -13.429 1.00 52.50 C +ATOM 6378 H PHE A 438 -2.969 -65.088 -12.525 1.00 0.00 H +ATOM 6379 HA PHE A 438 -4.733 -62.955 -11.586 1.00 0.00 H +ATOM 6380 HB3 PHE A 438 -5.680 -63.248 -13.822 1.00 0.00 H +ATOM 6381 HB2 PHE A 438 -6.787 -63.826 -12.620 1.00 0.00 H +ATOM 6382 HD1 PHE A 438 -4.256 -64.956 -15.106 1.00 0.00 H +ATOM 6383 HE1 PHE A 438 -4.360 -67.124 -16.254 1.00 0.00 H +ATOM 6384 HZ PHE A 438 -6.060 -68.782 -15.599 1.00 0.00 H +ATOM 6385 HE2 PHE A 438 -7.650 -68.263 -13.785 1.00 0.00 H +ATOM 6386 HD2 PHE A 438 -7.548 -66.089 -12.641 1.00 0.00 H +ATOM 6387 N ARG A 439 -5.898 -64.654 -10.036 1.00 58.71 N +ATOM 6388 CA ARG A 439 -6.348 -65.564 -8.983 1.00 56.04 C +ATOM 6389 C ARG A 439 -7.625 -66.274 -9.419 1.00 46.95 C +ATOM 6390 O ARG A 439 -8.526 -65.640 -9.967 1.00 58.70 O +ATOM 6391 CB ARG A 439 -6.604 -64.803 -7.674 1.00 63.59 C +ATOM 6392 CG ARG A 439 -5.426 -64.789 -6.690 1.00 68.97 C +ATOM 6393 CD ARG A 439 -5.726 -63.989 -5.412 1.00 76.82 C +ATOM 6394 NE ARG A 439 -5.788 -62.539 -5.636 1.00 83.21 N +ATOM 6395 CZ ARG A 439 -4.764 -61.707 -5.461 1.00 84.19 C +ATOM 6396 NH1 ARG A 439 -3.587 -62.175 -5.061 1.00 87.59 N +ATOM 6397 NH2 ARG A 439 -4.909 -60.407 -5.692 1.00 82.76 N1+ +ATOM 6398 H ARG A 439 -6.342 -63.748 -10.077 1.00 0.00 H +ATOM 6399 HA ARG A 439 -5.573 -66.311 -8.809 1.00 0.00 H +ATOM 6400 HB3 ARG A 439 -7.481 -65.220 -7.180 1.00 0.00 H +ATOM 6401 HB2 ARG A 439 -6.894 -63.778 -7.904 1.00 0.00 H +ATOM 6402 HG3 ARG A 439 -4.548 -64.370 -7.182 1.00 0.00 H +ATOM 6403 HG2 ARG A 439 -5.165 -65.813 -6.423 1.00 0.00 H +ATOM 6404 HD3 ARG A 439 -4.966 -64.207 -4.662 1.00 0.00 H +ATOM 6405 HD2 ARG A 439 -6.669 -64.330 -4.985 1.00 0.00 H +ATOM 6406 HE ARG A 439 -6.682 -62.182 -5.943 1.00 0.00 H +ATOM 6407 HH12 ARG A 439 -2.811 -61.543 -4.929 1.00 0.00 H +ATOM 6408 HH11 ARG A 439 -3.468 -63.163 -4.889 1.00 0.00 H +ATOM 6409 HH22 ARG A 439 -4.129 -59.780 -5.558 1.00 0.00 H +ATOM 6410 HH21 ARG A 439 -5.800 -60.045 -6.002 1.00 0.00 H +ATOM 6411 N THR A 440 -7.714 -67.590 -9.168 1.00 50.90 N +ATOM 6412 CA THR A 440 -8.924 -68.348 -9.515 1.00 52.04 C +ATOM 6413 C THR A 440 -9.955 -68.207 -8.404 1.00 59.06 C +ATOM 6414 O THR A 440 -9.924 -68.942 -7.415 1.00 72.51 O +ATOM 6415 CB THR A 440 -8.646 -69.832 -9.743 1.00 50.02 C +ATOM 6416 OG1 THR A 440 -7.936 -70.375 -8.627 1.00 58.55 O +ATOM 6417 CG2 THR A 440 -7.880 -70.086 -11.043 1.00 51.76 C +ATOM 6418 H THR A 440 -6.941 -68.075 -8.734 1.00 0.00 H +ATOM 6419 HA THR A 440 -9.343 -67.930 -10.430 1.00 0.00 H +ATOM 6420 HB THR A 440 -9.605 -70.346 -9.813 1.00 0.00 H +ATOM 6421 HG1 THR A 440 -7.856 -71.326 -8.731 1.00 0.00 H +ATOM 6422 HG21 THR A 440 -7.707 -71.156 -11.160 1.00 0.00 H +ATOM 6423 HG22 THR A 440 -8.464 -69.719 -11.887 1.00 0.00 H +ATOM 6424 HG23 THR A 440 -6.923 -69.565 -11.009 1.00 0.00 H +ATOM 6425 N ASP A 441 -10.906 -67.294 -8.580 1.00 58.90 N +ATOM 6426 CA ASP A 441 -11.993 -67.145 -7.621 1.00 64.56 C +ATOM 6427 C ASP A 441 -13.355 -67.193 -8.302 1.00 64.91 C +ATOM 6428 O ASP A 441 -14.348 -66.744 -7.718 1.00 56.93 O +ATOM 6429 CB ASP A 441 -11.840 -65.843 -6.832 1.00 62.21 C +ATOM 6430 CG ASP A 441 -11.613 -64.642 -7.726 1.00 70.72 C +ATOM 6431 OD1 ASP A 441 -12.000 -64.685 -8.917 1.00 79.93 O +ATOM 6432 OD2 ASP A 441 -11.041 -63.649 -7.239 1.00 74.91 O1- +ATOM 6433 H ASP A 441 -10.882 -66.690 -9.389 1.00 0.00 H +ATOM 6434 HA ASP A 441 -11.938 -67.975 -6.917 1.00 0.00 H +ATOM 6435 HB3 ASP A 441 -11.008 -65.938 -6.134 1.00 0.00 H +ATOM 6436 HB2 ASP A 441 -12.731 -65.680 -6.226 1.00 0.00 H +ATOM 6437 N ASN A 442 -13.427 -67.744 -9.513 1.00 56.18 N +ATOM 6438 CA ASN A 442 -14.622 -67.639 -10.348 1.00 56.68 C +ATOM 6439 C ASN A 442 -14.882 -68.971 -11.036 1.00 56.08 C +ATOM 6440 O ASN A 442 -14.569 -69.155 -12.220 1.00 54.16 O +ATOM 6441 CB ASN A 442 -14.469 -66.500 -11.362 1.00 47.17 C +ATOM 6442 CG ASN A 442 -15.787 -66.089 -11.964 1.00 52.24 C +ATOM 6443 OD1 ASN A 442 -16.841 -66.605 -11.583 1.00 52.25 O +ATOM 6444 ND2 ASN A 442 -15.744 -65.159 -12.910 1.00 46.86 N +ATOM 6445 H ASN A 442 -12.638 -68.255 -9.883 1.00 0.00 H +ATOM 6446 HA ASN A 442 -15.472 -67.414 -9.704 1.00 0.00 H +ATOM 6447 HB3 ASN A 442 -13.789 -66.810 -12.156 1.00 0.00 H +ATOM 6448 HB2 ASN A 442 -14.009 -65.640 -10.875 1.00 0.00 H +ATOM 6449 HD22 ASN A 442 -16.598 -64.845 -13.349 1.00 0.00 H +ATOM 6450 HD21 ASN A 442 -14.857 -64.765 -13.191 1.00 0.00 H +ATOM 6451 N PRO A 443 -15.495 -69.920 -10.330 1.00 57.36 N +ATOM 6452 CA PRO A 443 -15.617 -71.280 -10.875 1.00 48.26 C +ATOM 6453 C PRO A 443 -16.427 -71.314 -12.166 1.00 56.38 C +ATOM 6454 O PRO A 443 -17.552 -70.818 -12.234 1.00 61.07 O +ATOM 6455 CB PRO A 443 -16.314 -72.058 -9.748 1.00 47.50 C +ATOM 6456 CG PRO A 443 -16.096 -71.232 -8.501 1.00 50.48 C +ATOM 6457 CD PRO A 443 -16.093 -69.803 -8.989 1.00 49.41 C +ATOM 6458 HA PRO A 443 -14.625 -71.696 -11.051 1.00 0.00 H +ATOM 6459 HB3 PRO A 443 -15.833 -73.029 -9.627 1.00 0.00 H +ATOM 6460 HB2 PRO A 443 -17.382 -72.120 -9.958 1.00 0.00 H +ATOM 6461 HG3 PRO A 443 -15.121 -71.470 -8.076 1.00 0.00 H +ATOM 6462 HG2 PRO A 443 -16.934 -71.379 -7.820 1.00 0.00 H +ATOM 6463 HD2 PRO A 443 -17.121 -69.453 -9.083 1.00 0.00 H +ATOM 6464 HD3 PRO A 443 -15.437 -69.208 -8.354 1.00 0.00 H +ATOM 6465 N GLY A 444 -15.837 -71.912 -13.194 1.00 55.32 N +ATOM 6466 CA GLY A 444 -16.547 -72.213 -14.409 1.00 42.20 C +ATOM 6467 C GLY A 444 -15.590 -72.432 -15.560 1.00 46.31 C +ATOM 6468 O GLY A 444 -14.373 -72.290 -15.411 1.00 46.23 O +ATOM 6469 H GLY A 444 -14.862 -72.169 -13.137 1.00 0.00 H +ATOM 6470 HA3 GLY A 444 -17.221 -71.390 -14.649 1.00 0.00 H +ATOM 6471 HA2 GLY A 444 -17.151 -73.109 -14.264 1.00 0.00 H +ATOM 6472 N PRO A 445 -16.125 -72.836 -16.717 1.00 52.55 N +ATOM 6473 CA PRO A 445 -15.348 -72.879 -17.969 1.00 56.19 C +ATOM 6474 C PRO A 445 -15.270 -71.502 -18.615 1.00 61.12 C +ATOM 6475 O PRO A 445 -16.297 -70.924 -18.978 1.00 62.32 O +ATOM 6476 CB PRO A 445 -16.146 -73.856 -18.843 1.00 57.65 C +ATOM 6477 CG PRO A 445 -17.549 -73.762 -18.310 1.00 57.41 C +ATOM 6478 CD PRO A 445 -17.410 -73.554 -16.836 1.00 46.09 C +ATOM 6479 HA PRO A 445 -14.347 -73.268 -17.782 1.00 0.00 H +ATOM 6480 HB3 PRO A 445 -15.769 -74.867 -18.690 1.00 0.00 H +ATOM 6481 HB2 PRO A 445 -16.129 -73.511 -19.877 1.00 0.00 H +ATOM 6482 HG3 PRO A 445 -18.070 -74.701 -18.495 1.00 0.00 H +ATOM 6483 HG2 PRO A 445 -18.047 -72.899 -18.752 1.00 0.00 H +ATOM 6484 HD2 PRO A 445 -18.216 -72.909 -16.486 1.00 0.00 H +ATOM 6485 HD3 PRO A 445 -17.328 -74.522 -16.342 1.00 0.00 H +ATOM 6486 N TRP A 446 -14.046 -70.998 -18.802 1.00 48.93 N +ATOM 6487 CA TRP A 446 -13.815 -69.650 -19.318 1.00 46.20 C +ATOM 6488 C TRP A 446 -12.916 -69.708 -20.551 1.00 54.12 C +ATOM 6489 O TRP A 446 -11.783 -70.194 -20.477 1.00 54.79 O +ATOM 6490 CB TRP A 446 -13.195 -68.742 -18.246 1.00 49.51 C +ATOM 6491 CG TRP A 446 -14.010 -68.631 -16.975 1.00 55.13 C +ATOM 6492 CD1 TRP A 446 -13.710 -69.180 -15.751 1.00 49.21 C +ATOM 6493 NE1 TRP A 446 -14.684 -68.859 -14.837 1.00 55.44 N +ATOM 6494 CE2 TRP A 446 -15.643 -68.095 -15.454 1.00 45.41 C +ATOM 6495 CD2 TRP A 446 -15.250 -67.926 -16.803 1.00 52.69 C +ATOM 6496 CE3 TRP A 446 -16.071 -67.174 -17.659 1.00 63.63 C +ATOM 6497 CZ3 TRP A 446 -17.245 -66.611 -17.144 1.00 56.74 C +ATOM 6498 CH2 TRP A 446 -17.600 -66.794 -15.799 1.00 52.14 C +ATOM 6499 CZ2 TRP A 446 -16.814 -67.536 -14.940 1.00 47.19 C +ATOM 6500 H TRP A 446 -13.232 -71.555 -18.584 1.00 0.00 H +ATOM 6501 HA TRP A 446 -14.775 -69.226 -19.613 1.00 0.00 H +ATOM 6502 HB3 TRP A 446 -13.038 -67.747 -18.662 1.00 0.00 H +ATOM 6503 HB2 TRP A 446 -12.195 -69.101 -18.003 1.00 0.00 H +ATOM 6504 HD1 TRP A 446 -12.811 -69.765 -15.628 1.00 0.00 H +ATOM 6505 HE1 TRP A 446 -14.610 -69.185 -13.884 1.00 0.00 H +ATOM 6506 HE3 TRP A 446 -15.792 -67.039 -18.694 1.00 0.00 H +ATOM 6507 HZ3 TRP A 446 -17.890 -66.027 -17.784 1.00 0.00 H +ATOM 6508 HH2 TRP A 446 -18.506 -66.350 -15.414 1.00 0.00 H +ATOM 6509 HZ2 TRP A 446 -17.077 -67.691 -13.904 1.00 0.00 H +ATOM 6510 N PHE A 447 -13.427 -69.208 -21.674 1.00 57.06 N +ATOM 6511 CA PHE A 447 -12.665 -69.089 -22.915 1.00 54.32 C +ATOM 6512 C PHE A 447 -11.392 -68.253 -22.720 1.00 55.57 C +ATOM 6513 O PHE A 447 -11.420 -67.187 -22.094 1.00 60.02 O +ATOM 6514 CB PHE A 447 -13.566 -68.446 -23.978 1.00 59.58 C +ATOM 6515 CG PHE A 447 -13.654 -69.209 -25.281 1.00 49.51 C +ATOM 6516 CD1 PHE A 447 -12.834 -70.295 -25.540 1.00 42.51 C +ATOM 6517 CE1 PHE A 447 -12.918 -70.987 -26.770 1.00 51.94 C +ATOM 6518 CZ PHE A 447 -13.831 -70.582 -27.743 1.00 55.84 C +ATOM 6519 CE2 PHE A 447 -14.657 -69.489 -27.488 1.00 61.81 C +ATOM 6520 CD2 PHE A 447 -14.562 -68.809 -26.262 1.00 57.85 C +ATOM 6521 H PHE A 447 -14.385 -68.889 -21.695 1.00 0.00 H +ATOM 6522 HA PHE A 447 -12.382 -70.087 -23.251 1.00 0.00 H +ATOM 6523 HB3 PHE A 447 -13.222 -67.431 -24.177 1.00 0.00 H +ATOM 6524 HB2 PHE A 447 -14.568 -68.313 -23.569 1.00 0.00 H +ATOM 6525 HD1 PHE A 447 -12.120 -70.622 -24.798 1.00 0.00 H +ATOM 6526 HE1 PHE A 447 -12.274 -71.833 -26.959 1.00 0.00 H +ATOM 6527 HZ PHE A 447 -13.892 -71.114 -28.681 1.00 0.00 H +ATOM 6528 HE2 PHE A 447 -15.369 -69.165 -28.232 1.00 0.00 H +ATOM 6529 HD2 PHE A 447 -15.209 -67.962 -26.086 1.00 0.00 H +ATOM 6530 N LEU A 448 -10.270 -68.754 -23.246 1.00 49.38 N +ATOM 6531 CA LEU A 448 -9.024 -68.001 -23.393 1.00 48.70 C +ATOM 6532 C LEU A 448 -8.633 -68.095 -24.862 1.00 56.90 C +ATOM 6533 O LEU A 448 -8.347 -69.192 -25.359 1.00 52.87 O +ATOM 6534 CB LEU A 448 -7.921 -68.564 -22.486 1.00 58.47 C +ATOM 6535 CG LEU A 448 -6.527 -67.925 -22.347 1.00 59.66 C +ATOM 6536 CD1 LEU A 448 -6.580 -66.412 -22.414 1.00 50.71 C +ATOM 6537 CD2 LEU A 448 -5.549 -68.469 -23.374 1.00 64.94 C +ATOM 6538 H LEU A 448 -10.248 -69.710 -23.572 1.00 0.00 H +ATOM 6539 HA LEU A 448 -9.203 -66.957 -23.135 1.00 0.00 H +ATOM 6540 HB3 LEU A 448 -7.796 -69.624 -22.708 1.00 0.00 H +ATOM 6541 HB2 LEU A 448 -8.335 -68.714 -21.489 1.00 0.00 H +ATOM 6542 HG LEU A 448 -6.145 -68.193 -21.362 1.00 0.00 H +ATOM 6543 HD11 LEU A 448 -5.573 -66.008 -22.311 1.00 0.00 H +ATOM 6544 HD12 LEU A 448 -6.998 -66.105 -23.372 1.00 0.00 H +ATOM 6545 HD13 LEU A 448 -7.207 -66.034 -21.607 1.00 0.00 H +ATOM 6546 HD21 LEU A 448 -4.578 -67.992 -23.241 1.00 0.00 H +ATOM 6547 HD22 LEU A 448 -5.445 -69.546 -23.242 1.00 0.00 H +ATOM 6548 HD23 LEU A 448 -5.921 -68.260 -24.377 1.00 0.00 H +ATOM 6549 N HIS A 449 -8.632 -66.960 -25.569 1.00 47.37 N +ATOM 6550 CA HIS A 449 -8.472 -67.040 -27.013 1.00 52.06 C +ATOM 6551 C HIS A 449 -7.953 -65.725 -27.559 1.00 58.34 C +ATOM 6552 O HIS A 449 -8.139 -64.660 -26.969 1.00 60.70 O +ATOM 6553 CB HIS A 449 -9.795 -67.381 -27.706 1.00 47.55 C +ATOM 6554 CG HIS A 449 -10.820 -66.299 -27.577 1.00 51.50 C +ATOM 6555 ND1 HIS A 449 -10.873 -65.222 -28.433 1.00 46.48 N +ATOM 6556 CE1 HIS A 449 -11.855 -64.418 -28.065 1.00 57.93 C +ATOM 6557 NE2 HIS A 449 -12.436 -64.934 -26.997 1.00 62.09 N +ATOM 6558 CD2 HIS A 449 -11.801 -66.106 -26.664 1.00 50.57 C +ATOM 6559 H HIS A 449 -8.741 -66.072 -25.099 1.00 0.00 H +ATOM 6560 HA HIS A 449 -7.748 -67.822 -27.241 1.00 0.00 H +ATOM 6561 HB3 HIS A 449 -10.192 -68.307 -27.292 1.00 0.00 H +ATOM 6562 HB2 HIS A 449 -9.610 -67.580 -28.762 1.00 0.00 H +ATOM 6563 HD1 HIS A 449 -10.215 -65.151 -29.196 1.00 0.00 H +ATOM 6564 HE1 HIS A 449 -12.053 -63.516 -28.625 1.00 0.00 H +ATOM 6565 HD2 HIS A 449 -11.948 -66.823 -25.869 1.00 0.00 H +ATOM 6566 N CYS A 450 -7.333 -65.819 -28.724 1.00 58.24 N +ATOM 6567 CA CYS A 450 -6.979 -64.627 -29.464 1.00 60.55 C +ATOM 6568 C CYS A 450 -8.233 -63.980 -30.029 1.00 52.94 C +ATOM 6569 O CYS A 450 -9.113 -64.662 -30.559 1.00 48.40 O +ATOM 6570 CB CYS A 450 -6.022 -64.979 -30.588 1.00 59.14 C +ATOM 6571 SG CYS A 450 -6.042 -63.745 -31.824 1.00 57.02 S +ATOM 6572 H CYS A 450 -7.104 -66.727 -29.102 1.00 0.00 H +ATOM 6573 HA CYS A 450 -6.490 -63.924 -28.790 1.00 0.00 H +ATOM 6574 HB3 CYS A 450 -6.311 -65.935 -31.025 1.00 0.00 H +ATOM 6575 HB2 CYS A 450 -5.013 -65.076 -30.188 1.00 0.00 H +ATOM 6576 HG CYS A 450 -7.274 -63.640 -32.329 1.00 0.00 H +ATOM 6577 N HIS A 451 -8.320 -62.657 -29.918 1.00 48.59 N +ATOM 6578 CA HIS A 451 -9.545 -61.964 -30.297 1.00 51.05 C +ATOM 6579 C HIS A 451 -9.535 -61.455 -31.743 1.00 59.23 C +ATOM 6580 O HIS A 451 -10.449 -60.725 -32.134 1.00 58.09 O +ATOM 6581 CB HIS A 451 -9.823 -60.812 -29.331 1.00 48.20 C +ATOM 6582 CG HIS A 451 -11.280 -60.572 -29.068 1.00 48.76 C +ATOM 6583 ND1 HIS A 451 -12.143 -60.090 -30.031 1.00 46.67 N +ATOM 6584 CE1 HIS A 451 -13.353 -59.968 -29.511 1.00 42.53 C +ATOM 6585 NE2 HIS A 451 -13.303 -60.331 -28.240 1.00 44.00 N +ATOM 6586 CD2 HIS A 451 -12.020 -60.722 -27.940 1.00 42.74 C +ATOM 6587 H HIS A 451 -7.534 -62.127 -29.569 1.00 0.00 H +ATOM 6588 HA HIS A 451 -10.366 -62.675 -30.205 1.00 0.00 H +ATOM 6589 HB3 HIS A 451 -9.370 -59.899 -29.718 1.00 0.00 H +ATOM 6590 HB2 HIS A 451 -9.312 -61.001 -28.387 1.00 0.00 H +ATOM 6591 HD1 HIS A 451 -11.802 -59.892 -30.961 1.00 0.00 H +ATOM 6592 HE1 HIS A 451 -14.171 -59.619 -30.123 1.00 0.00 H +ATOM 6593 HD2 HIS A 451 -11.558 -61.092 -27.037 1.00 0.00 H +ATOM 6594 N ILE A 452 -8.546 -61.818 -32.555 1.00 60.57 N +ATOM 6595 CA ILE A 452 -8.727 -61.615 -33.989 1.00 51.89 C +ATOM 6596 C ILE A 452 -9.673 -62.718 -34.448 1.00 47.76 C +ATOM 6597 O ILE A 452 -9.343 -63.904 -34.374 1.00 55.67 O +ATOM 6598 CB ILE A 452 -7.394 -61.618 -34.750 1.00 46.48 C +ATOM 6599 CG1 ILE A 452 -6.624 -60.341 -34.395 1.00 45.50 C +ATOM 6600 CD1 ILE A 452 -5.151 -60.352 -34.747 1.00 49.10 C +ATOM 6601 CG2 ILE A 452 -7.626 -61.663 -36.261 1.00 42.19 C +ATOM 6602 H ILE A 452 -7.702 -62.221 -32.174 1.00 0.00 H +ATOM 6603 HA ILE A 452 -9.214 -60.652 -34.145 1.00 0.00 H +ATOM 6604 HB ILE A 452 -6.809 -62.487 -34.449 1.00 0.00 H +ATOM 6605 HG13 ILE A 452 -6.738 -60.135 -33.331 1.00 0.00 H +ATOM 6606 HG12 ILE A 452 -7.102 -59.487 -34.874 1.00 0.00 H +ATOM 6607 HD11 ILE A 452 -4.700 -59.404 -34.455 1.00 0.00 H +ATOM 6608 HD12 ILE A 452 -4.657 -61.167 -34.218 1.00 0.00 H +ATOM 6609 HD13 ILE A 452 -5.035 -60.493 -35.822 1.00 0.00 H +ATOM 6610 HG21 ILE A 452 -6.666 -61.664 -36.777 1.00 0.00 H +ATOM 6611 HG22 ILE A 452 -8.177 -62.568 -36.518 1.00 0.00 H +ATOM 6612 HG23 ILE A 452 -8.201 -60.789 -36.567 1.00 0.00 H +ATOM 6613 N ASP A 453 -10.884 -62.328 -34.856 1.00 48.39 N +ATOM 6614 CA ASP A 453 -12.006 -63.258 -34.804 1.00 52.89 C +ATOM 6615 C ASP A 453 -11.880 -64.367 -35.840 1.00 57.89 C +ATOM 6616 O ASP A 453 -12.394 -65.470 -35.619 1.00 54.85 O +ATOM 6617 CB ASP A 453 -13.323 -62.508 -34.974 1.00 59.72 C +ATOM 6618 CG ASP A 453 -14.488 -63.235 -34.329 1.00 59.49 C +ATOM 6619 OD1 ASP A 453 -14.421 -63.548 -33.125 1.00 66.62 O +ATOM 6620 OD2 ASP A 453 -15.480 -63.494 -35.030 1.00 54.33 O1- +ATOM 6621 H ASP A 453 -11.023 -61.389 -35.201 1.00 0.00 H +ATOM 6622 HA ASP A 453 -12.010 -63.721 -33.817 1.00 0.00 H +ATOM 6623 HB3 ASP A 453 -13.526 -62.368 -36.036 1.00 0.00 H +ATOM 6624 HB2 ASP A 453 -13.232 -61.512 -34.540 1.00 0.00 H +ATOM 6625 N ALA A 454 -11.195 -64.102 -36.962 1.00 0.00 N +ATOM 6626 H ALA A 454 -12.047 -63.612 -37.192 1.00 0.00 H +ATOM 6627 CA ALA A 454 -10.898 -65.146 -37.926 1.00 0.00 C +ATOM 6628 HA ALA A 454 -11.834 -65.642 -38.188 1.00 0.00 H +ATOM 6629 CB ALA A 454 -10.292 -64.478 -39.167 1.00 0.00 C +ATOM 6630 HB1 ALA A 454 -10.084 -65.206 -39.952 1.00 0.00 H +ATOM 6631 HB2 ALA A 454 -10.970 -63.736 -39.587 1.00 0.00 H +ATOM 6632 HB3 ALA A 454 -9.353 -63.977 -38.926 1.00 0.00 H +ATOM 6633 C ALA A 454 -9.962 -66.211 -37.331 1.00 0.00 C +ATOM 6634 O ALA A 454 -9.508 -66.083 -36.192 1.00 0.00 O +ATOM 6635 N HIS A 455 -8.922 -65.784 -36.620 1.00 61.28 N +ATOM 6636 CA HIS A 455 -8.063 -66.761 -35.961 1.00 55.94 C +ATOM 6637 C HIS A 455 -8.855 -67.610 -34.966 1.00 62.52 C +ATOM 6638 O HIS A 455 -8.564 -68.801 -34.794 1.00 51.88 O +ATOM 6639 CB HIS A 455 -6.901 -66.046 -35.268 1.00 56.37 C +ATOM 6640 CG HIS A 455 -6.100 -65.162 -36.177 1.00 49.94 C +ATOM 6641 ND1 HIS A 455 -5.049 -64.394 -35.726 1.00 51.29 N +ATOM 6642 CE1 HIS A 455 -4.528 -63.722 -36.737 1.00 51.06 C +ATOM 6643 NE2 HIS A 455 -5.199 -64.031 -37.831 1.00 62.51 N +ATOM 6644 CD2 HIS A 455 -6.186 -64.935 -37.509 1.00 54.08 C +ATOM 6645 H HIS A 455 -8.732 -64.795 -36.540 1.00 0.00 H +ATOM 6646 HA HIS A 455 -7.651 -67.423 -36.723 1.00 0.00 H +ATOM 6647 HB3 HIS A 455 -6.243 -66.785 -34.811 1.00 0.00 H +ATOM 6648 HB2 HIS A 455 -7.285 -65.456 -34.436 1.00 0.00 H +ATOM 6649 HE1 HIS A 455 -3.692 -63.059 -36.571 1.00 0.00 H +ATOM 6650 HD2 HIS A 455 -6.940 -65.439 -38.095 1.00 0.00 H +ATOM 6651 HE2 HIS A 455 -4.945 -63.612 -38.714 1.00 0.00 H +ATOM 6652 N LEU A 456 -9.879 -67.025 -34.328 1.00 57.06 N +ATOM 6653 CA LEU A 456 -10.669 -67.773 -33.353 1.00 56.74 C +ATOM 6654 C LEU A 456 -11.500 -68.851 -34.029 1.00 57.95 C +ATOM 6655 O LEU A 456 -11.574 -69.982 -33.535 1.00 67.47 O +ATOM 6656 CB LEU A 456 -11.573 -66.829 -32.549 1.00 52.61 C +ATOM 6657 CG LEU A 456 -12.853 -67.427 -31.939 1.00 52.83 C +ATOM 6658 CD1 LEU A 456 -12.540 -68.432 -30.807 1.00 49.89 C +ATOM 6659 CD2 LEU A 456 -13.815 -66.343 -31.444 1.00 39.52 C +ATOM 6660 H LEU A 456 -10.109 -66.060 -34.520 1.00 0.00 H +ATOM 6661 HA LEU A 456 -9.982 -68.258 -32.660 1.00 0.00 H +ATOM 6662 HB3 LEU A 456 -11.838 -65.973 -33.169 1.00 0.00 H +ATOM 6663 HB2 LEU A 456 -10.987 -66.358 -31.760 1.00 0.00 H +ATOM 6664 HG LEU A 456 -13.363 -67.977 -32.730 1.00 0.00 H +ATOM 6665 HD11 LEU A 456 -13.472 -68.829 -30.405 1.00 0.00 H +ATOM 6666 HD12 LEU A 456 -11.938 -69.250 -31.203 1.00 0.00 H +ATOM 6667 HD13 LEU A 456 -11.989 -67.927 -30.014 1.00 0.00 H +ATOM 6668 HD21 LEU A 456 -14.704 -66.811 -31.022 1.00 0.00 H +ATOM 6669 HD22 LEU A 456 -13.323 -65.742 -30.679 1.00 0.00 H +ATOM 6670 HD23 LEU A 456 -14.103 -65.704 -32.278 1.00 0.00 H +ATOM 6671 N ASP A 457 -12.137 -68.525 -35.157 1.00 52.59 N +ATOM 6672 CA ASP A 457 -12.913 -69.536 -35.865 1.00 64.51 C +ATOM 6673 C ASP A 457 -12.013 -70.649 -36.386 1.00 61.92 C +ATOM 6674 O ASP A 457 -12.458 -71.791 -36.537 1.00 59.17 O +ATOM 6675 CB ASP A 457 -13.704 -68.890 -37.007 1.00 69.21 C +ATOM 6676 CG ASP A 457 -14.861 -69.757 -37.488 1.00 71.36 C +ATOM 6677 OD1 ASP A 457 -15.854 -69.939 -36.747 1.00 74.31 O +ATOM 6678 OD2 ASP A 457 -14.779 -70.256 -38.619 1.00 75.46 O1- +ATOM 6679 H ASP A 457 -12.080 -67.582 -35.515 1.00 0.00 H +ATOM 6680 HA ASP A 457 -13.623 -69.973 -35.163 1.00 0.00 H +ATOM 6681 HB3 ASP A 457 -13.033 -68.685 -37.842 1.00 0.00 H +ATOM 6682 HB2 ASP A 457 -14.087 -67.923 -36.681 1.00 0.00 H +ATOM 6683 N ALA A 458 -10.744 -70.333 -36.645 1.00 55.94 N +ATOM 6684 CA ALA A 458 -9.741 -71.296 -37.070 1.00 57.18 C +ATOM 6685 C ALA A 458 -9.172 -72.138 -35.919 1.00 64.32 C +ATOM 6686 O ALA A 458 -8.259 -72.941 -36.151 1.00 63.73 O +ATOM 6687 CB ALA A 458 -8.619 -70.545 -37.800 1.00 43.39 C +ATOM 6688 H ALA A 458 -10.432 -69.377 -36.549 1.00 0.00 H +ATOM 6689 HA ALA A 458 -10.209 -71.975 -37.783 1.00 0.00 H +ATOM 6690 HB1 ALA A 458 -7.858 -71.254 -38.125 1.00 0.00 H +ATOM 6691 HB2 ALA A 458 -9.031 -70.031 -38.668 1.00 0.00 H +ATOM 6692 HB3 ALA A 458 -8.170 -69.816 -37.125 1.00 0.00 H +ATOM 6693 N GLY A 459 -9.665 -71.976 -34.691 1.00 65.10 N +ATOM 6694 CA GLY A 459 -9.264 -72.822 -33.576 1.00 59.66 C +ATOM 6695 C GLY A 459 -8.246 -72.253 -32.602 1.00 61.56 C +ATOM 6696 O GLY A 459 -7.697 -73.019 -31.801 1.00 74.13 O +ATOM 6697 H GLY A 459 -10.340 -71.247 -34.510 1.00 0.00 H +ATOM 6698 HA3 GLY A 459 -8.898 -73.773 -33.962 1.00 0.00 H +ATOM 6699 HA2 GLY A 459 -10.152 -73.133 -33.025 1.00 0.00 H +ATOM 6700 N PHE A 460 -7.992 -70.941 -32.623 1.00 59.71 N +ATOM 6701 CA PHE A 460 -6.917 -70.336 -31.826 1.00 50.04 C +ATOM 6702 C PHE A 460 -7.422 -70.036 -30.412 1.00 53.90 C +ATOM 6703 O PHE A 460 -7.549 -68.886 -29.993 1.00 56.99 O +ATOM 6704 CB PHE A 460 -6.397 -69.078 -32.514 1.00 45.23 C +ATOM 6705 CG PHE A 460 -4.950 -68.732 -32.179 1.00 48.75 C +ATOM 6706 CD1 PHE A 460 -4.096 -69.682 -31.618 1.00 44.10 C +ATOM 6707 CE1 PHE A 460 -2.750 -69.355 -31.303 1.00 42.66 C +ATOM 6708 CZ PHE A 460 -2.270 -68.069 -31.561 1.00 40.62 C +ATOM 6709 CE2 PHE A 460 -3.128 -67.113 -32.138 1.00 45.99 C +ATOM 6710 CD2 PHE A 460 -4.452 -67.453 -32.434 1.00 44.21 C +ATOM 6711 H PHE A 460 -8.549 -70.328 -33.201 1.00 0.00 H +ATOM 6712 HA PHE A 460 -6.098 -71.052 -31.754 1.00 0.00 H +ATOM 6713 HB3 PHE A 460 -7.039 -68.235 -32.258 1.00 0.00 H +ATOM 6714 HB2 PHE A 460 -6.502 -69.187 -33.593 1.00 0.00 H +ATOM 6715 HD1 PHE A 460 -4.456 -70.680 -31.418 1.00 0.00 H +ATOM 6716 HE1 PHE A 460 -2.102 -70.100 -30.866 1.00 0.00 H +ATOM 6717 HZ PHE A 460 -1.249 -67.815 -31.318 1.00 0.00 H +ATOM 6718 HE2 PHE A 460 -2.763 -66.119 -32.351 1.00 0.00 H +ATOM 6719 HD2 PHE A 460 -5.093 -66.701 -32.869 1.00 0.00 H +ATOM 6720 N ALA A 461 -7.687 -71.104 -29.660 1.00 53.48 N +ATOM 6721 CA ALA A 461 -8.364 -70.945 -28.380 1.00 50.64 C +ATOM 6722 C ALA A 461 -8.187 -72.187 -27.508 1.00 50.63 C +ATOM 6723 O ALA A 461 -7.977 -73.293 -28.005 1.00 46.48 O +ATOM 6724 CB ALA A 461 -9.858 -70.665 -28.598 1.00 46.18 C +ATOM 6725 H ALA A 461 -7.418 -72.024 -29.977 1.00 0.00 H +ATOM 6726 HA ALA A 461 -7.925 -70.093 -27.861 1.00 0.00 H +ATOM 6727 HB1 ALA A 461 -10.351 -70.548 -27.633 1.00 0.00 H +ATOM 6728 HB2 ALA A 461 -9.976 -69.750 -29.178 1.00 0.00 H +ATOM 6729 HB3 ALA A 461 -10.309 -71.498 -29.138 1.00 0.00 H +ATOM 6730 N VAL A 462 -8.290 -71.974 -26.188 1.00 46.74 N +ATOM 6731 CA VAL A 462 -8.386 -73.020 -25.171 1.00 47.20 C +ATOM 6732 C VAL A 462 -9.418 -72.574 -24.136 1.00 47.41 C +ATOM 6733 O VAL A 462 -9.774 -71.401 -24.034 1.00 50.42 O +ATOM 6734 CB VAL A 462 -7.053 -73.279 -24.438 1.00 55.83 C +ATOM 6735 CG1 VAL A 462 -5.929 -73.668 -25.393 1.00 47.81 C +ATOM 6736 CG2 VAL A 462 -6.708 -72.042 -23.618 1.00 54.12 C +ATOM 6737 H VAL A 462 -8.306 -71.030 -25.828 1.00 0.00 H +ATOM 6738 HA VAL A 462 -8.724 -73.945 -25.639 1.00 0.00 H +ATOM 6739 HB VAL A 462 -7.207 -74.107 -23.746 1.00 0.00 H +ATOM 6740 HG11 VAL A 462 -5.013 -73.839 -24.827 1.00 0.00 H +ATOM 6741 HG12 VAL A 462 -6.202 -74.579 -25.925 1.00 0.00 H +ATOM 6742 HG13 VAL A 462 -5.767 -72.864 -26.111 1.00 0.00 H +ATOM 6743 HG21 VAL A 462 -5.768 -72.205 -23.091 1.00 0.00 H +ATOM 6744 HG22 VAL A 462 -6.608 -71.182 -24.281 1.00 0.00 H +ATOM 6745 HG23 VAL A 462 -7.501 -71.852 -22.894 1.00 0.00 H +ATOM 6746 N VAL A 463 -9.855 -73.495 -23.302 1.00 53.03 N +ATOM 6747 CA VAL A 463 -10.828 -73.128 -22.283 1.00 60.46 C +ATOM 6748 C VAL A 463 -10.255 -73.461 -20.915 1.00 61.59 C +ATOM 6749 O VAL A 463 -9.750 -74.568 -20.700 1.00 68.80 O +ATOM 6750 CB VAL A 463 -12.185 -73.808 -22.531 1.00 55.28 C +ATOM 6751 CG1 VAL A 463 -11.989 -75.273 -22.787 1.00 59.22 C +ATOM 6752 CG2 VAL A 463 -13.115 -73.571 -21.352 1.00 64.14 C +ATOM 6753 H VAL A 463 -9.515 -74.443 -23.374 1.00 0.00 H +ATOM 6754 HA VAL A 463 -10.977 -72.049 -22.332 1.00 0.00 H +ATOM 6755 HB VAL A 463 -12.635 -73.362 -23.418 1.00 0.00 H +ATOM 6756 HG11 VAL A 463 -12.956 -75.744 -22.961 1.00 0.00 H +ATOM 6757 HG12 VAL A 463 -11.356 -75.408 -23.664 1.00 0.00 H +ATOM 6758 HG13 VAL A 463 -11.512 -75.733 -21.922 1.00 0.00 H +ATOM 6759 HG21 VAL A 463 -14.072 -74.057 -21.540 1.00 0.00 H +ATOM 6760 HG22 VAL A 463 -12.669 -73.985 -20.448 1.00 0.00 H +ATOM 6761 HG23 VAL A 463 -13.272 -72.500 -21.222 1.00 0.00 H +ATOM 6762 N MET A 464 -10.296 -72.485 -20.006 1.00 61.12 N +ATOM 6763 CA MET A 464 -9.861 -72.688 -18.625 1.00 59.41 C +ATOM 6764 C MET A 464 -11.036 -73.223 -17.807 1.00 63.01 C +ATOM 6765 O MET A 464 -11.990 -72.490 -17.527 1.00 69.58 O +ATOM 6766 CB MET A 464 -9.313 -71.388 -18.034 1.00 49.12 C +ATOM 6767 CG MET A 464 -8.220 -70.744 -18.882 1.00 59.02 C +ATOM 6768 SD MET A 464 -6.823 -71.862 -19.230 1.00 64.93 S +ATOM 6769 CE MET A 464 -5.853 -71.743 -17.763 1.00 71.84 C +ATOM 6770 H MET A 464 -10.636 -71.569 -20.263 1.00 0.00 H +ATOM 6771 HA MET A 464 -9.066 -73.434 -18.618 1.00 0.00 H +ATOM 6772 HB3 MET A 464 -8.928 -71.580 -17.033 1.00 0.00 H +ATOM 6773 HB2 MET A 464 -10.130 -70.680 -17.899 1.00 0.00 H +ATOM 6774 HG3 MET A 464 -7.851 -69.850 -18.379 1.00 0.00 H +ATOM 6775 HG2 MET A 464 -8.649 -70.397 -19.822 1.00 0.00 H +ATOM 6776 HE1 MET A 464 -4.974 -72.380 -17.856 1.00 0.00 H +ATOM 6777 HE2 MET A 464 -5.538 -70.710 -17.618 1.00 0.00 H +ATOM 6778 HE3 MET A 464 -6.446 -72.065 -16.907 1.00 0.00 H +ATOM 6779 N ALA A 465 -10.970 -74.502 -17.428 1.00 58.73 N +ATOM 6780 CA ALA A 465 -12.000 -75.145 -16.611 1.00 52.60 C +ATOM 6781 C ALA A 465 -11.720 -74.856 -15.134 1.00 62.83 C +ATOM 6782 O ALA A 465 -11.080 -75.640 -14.434 1.00 68.43 O +ATOM 6783 CB ALA A 465 -12.037 -76.642 -16.890 1.00 53.05 C +ATOM 6784 H ALA A 465 -10.183 -75.071 -17.706 1.00 0.00 H +ATOM 6785 HA ALA A 465 -12.968 -74.718 -16.872 1.00 0.00 H +ATOM 6786 HB1 ALA A 465 -12.808 -77.108 -16.276 1.00 0.00 H +ATOM 6787 HB2 ALA A 465 -12.262 -76.810 -17.943 1.00 0.00 H +ATOM 6788 HB3 ALA A 465 -11.068 -77.081 -16.651 1.00 0.00 H +ATOM 6789 N GLU A 466 -12.232 -73.729 -14.644 1.00 55.88 N +ATOM 6790 CA GLU A 466 -11.878 -73.248 -13.314 1.00 53.04 C +ATOM 6791 C GLU A 466 -12.716 -73.939 -12.244 1.00 53.94 C +ATOM 6792 O GLU A 466 -13.952 -73.926 -12.300 1.00 61.81 O +ATOM 6793 CB GLU A 466 -12.061 -71.729 -13.229 1.00 55.97 C +ATOM 6794 CG GLU A 466 -11.709 -71.135 -11.866 1.00 49.75 C +ATOM 6795 CD GLU A 466 -11.445 -69.632 -11.904 1.00 54.77 C +ATOM 6796 OE1 GLU A 466 -11.579 -68.989 -10.851 1.00 66.69 O +ATOM 6797 OE2 GLU A 466 -11.111 -69.082 -12.977 1.00 62.09 O1- +ATOM 6798 H GLU A 466 -12.881 -73.187 -15.197 1.00 0.00 H +ATOM 6799 HA GLU A 466 -10.828 -73.479 -13.132 1.00 0.00 H +ATOM 6800 HB3 GLU A 466 -13.091 -71.475 -13.479 1.00 0.00 H +ATOM 6801 HB2 GLU A 466 -11.458 -71.249 -13.999 1.00 0.00 H +ATOM 6802 HG3 GLU A 466 -10.834 -71.646 -11.464 1.00 0.00 H +ATOM 6803 HG2 GLU A 466 -12.515 -71.343 -11.162 1.00 0.00 H +ATOM 6804 N ASP A 467 -12.035 -74.534 -11.274 1.00 46.28 N +ATOM 6805 CA ASP A 467 -12.644 -75.205 -10.123 1.00 54.28 C +ATOM 6806 C ASP A 467 -13.895 -75.991 -10.519 1.00 49.73 C +ATOM 6807 O ASP A 467 -15.017 -75.708 -10.095 1.00 50.77 O +ATOM 6808 CB ASP A 467 -12.930 -74.208 -9.001 1.00 46.05 C +ATOM 6809 CG ASP A 467 -13.508 -74.867 -7.767 1.00 51.59 C +ATOM 6810 OD1 ASP A 467 -13.303 -76.098 -7.565 1.00 55.89 O +ATOM 6811 OD2 ASP A 467 -14.089 -74.126 -6.955 1.00 49.96 O1- +ATOM 6812 H ASP A 467 -11.025 -74.544 -11.299 1.00 0.00 H +ATOM 6813 HA ASP A 467 -11.917 -75.922 -9.743 1.00 0.00 H +ATOM 6814 HB3 ASP A 467 -13.620 -73.445 -9.361 1.00 0.00 H +ATOM 6815 HB2 ASP A 467 -12.010 -73.687 -8.736 1.00 0.00 H +ATOM 6816 N THR A 468 -13.662 -77.029 -11.318 1.00 49.39 N +ATOM 6817 CA THR A 468 -14.774 -77.806 -11.857 1.00 52.07 C +ATOM 6818 C THR A 468 -15.680 -78.485 -10.816 1.00 55.84 C +ATOM 6819 O THR A 468 -16.888 -78.597 -11.098 1.00 57.39 O +ATOM 6820 CB THR A 468 -14.192 -78.808 -12.863 1.00 57.12 C +ATOM 6821 OG1 THR A 468 -13.886 -78.105 -14.075 1.00 54.11 O +ATOM 6822 CG2 THR A 468 -15.149 -79.956 -13.149 1.00 51.89 C +ATOM 6823 H THR A 468 -12.713 -77.282 -11.554 1.00 0.00 H +ATOM 6824 HA THR A 468 -15.400 -77.116 -12.422 1.00 0.00 H +ATOM 6825 HB THR A 468 -13.268 -79.217 -12.454 1.00 0.00 H +ATOM 6826 HG1 THR A 468 -13.245 -77.414 -13.891 1.00 0.00 H +ATOM 6827 HG21 THR A 468 -14.694 -80.639 -13.866 1.00 0.00 H +ATOM 6828 HG22 THR A 468 -15.363 -80.491 -12.224 1.00 0.00 H +ATOM 6829 HG23 THR A 468 -16.077 -79.562 -13.563 1.00 0.00 H +ATOM 6830 N PRO A 469 -15.212 -78.935 -9.636 1.00 56.51 N +ATOM 6831 CA PRO A 469 -16.151 -79.584 -8.693 1.00 61.55 C +ATOM 6832 C PRO A 469 -17.235 -78.656 -8.167 1.00 67.13 C +ATOM 6833 O PRO A 469 -18.282 -79.140 -7.709 1.00 54.54 O +ATOM 6834 CB PRO A 469 -15.245 -80.070 -7.545 1.00 50.98 C +ATOM 6835 CG PRO A 469 -13.858 -79.992 -8.049 1.00 48.19 C +ATOM 6836 CD PRO A 469 -13.846 -78.899 -9.076 1.00 48.44 C +ATOM 6837 HA PRO A 469 -16.614 -80.444 -9.177 1.00 0.00 H +ATOM 6838 HB3 PRO A 469 -15.486 -81.106 -7.307 1.00 0.00 H +ATOM 6839 HB2 PRO A 469 -15.357 -79.405 -6.689 1.00 0.00 H +ATOM 6840 HG3 PRO A 469 -13.591 -80.937 -8.522 1.00 0.00 H +ATOM 6841 HG2 PRO A 469 -13.189 -79.727 -7.230 1.00 0.00 H +ATOM 6842 HD2 PRO A 469 -13.685 -77.941 -8.581 1.00 0.00 H +ATOM 6843 HD3 PRO A 469 -13.129 -79.148 -9.859 1.00 0.00 H +ATOM 6844 N ASP A 470 -17.016 -77.344 -8.218 1.00 63.09 N +ATOM 6845 CA ASP A 470 -17.927 -76.364 -7.650 1.00 63.80 C +ATOM 6846 C ASP A 470 -18.737 -75.634 -8.697 1.00 58.94 C +ATOM 6847 O ASP A 470 -19.594 -74.823 -8.335 1.00 63.48 O +ATOM 6848 CB ASP A 470 -17.149 -75.338 -6.826 1.00 74.27 C +ATOM 6849 CG ASP A 470 -16.676 -75.897 -5.514 1.00 75.28 C +ATOM 6850 OD1 ASP A 470 -17.436 -76.684 -4.909 1.00 72.64 O +ATOM 6851 OD2 ASP A 470 -15.550 -75.546 -5.096 1.00 74.92 O1- +ATOM 6852 H ASP A 470 -16.184 -76.988 -8.667 1.00 0.00 H +ATOM 6853 HA ASP A 470 -18.617 -76.884 -6.985 1.00 0.00 H +ATOM 6854 HB3 ASP A 470 -17.779 -74.467 -6.643 1.00 0.00 H +ATOM 6855 HB2 ASP A 470 -16.292 -74.987 -7.400 1.00 0.00 H +ATOM 6856 N VAL A 471 -18.473 -75.887 -9.980 1.00 56.03 N +ATOM 6857 CA VAL A 471 -19.181 -75.193 -11.050 1.00 56.49 C +ATOM 6858 C VAL A 471 -20.669 -75.508 -10.997 1.00 58.59 C +ATOM 6859 O VAL A 471 -21.511 -74.625 -11.189 1.00 72.37 O +ATOM 6860 CB VAL A 471 -18.560 -75.563 -12.411 1.00 53.03 C +ATOM 6861 CG1 VAL A 471 -19.270 -74.849 -13.532 1.00 57.12 C +ATOM 6862 CG2 VAL A 471 -17.068 -75.219 -12.410 1.00 44.27 C +ATOM 6863 H VAL A 471 -17.771 -76.570 -10.226 1.00 0.00 H +ATOM 6864 HA VAL A 471 -19.056 -74.121 -10.900 1.00 0.00 H +ATOM 6865 HB VAL A 471 -18.668 -76.637 -12.561 1.00 0.00 H +ATOM 6866 HG11 VAL A 471 -18.816 -75.124 -14.484 1.00 0.00 H +ATOM 6867 HG12 VAL A 471 -20.322 -75.134 -13.536 1.00 0.00 H +ATOM 6868 HG13 VAL A 471 -19.186 -73.772 -13.388 1.00 0.00 H +ATOM 6869 HG21 VAL A 471 -16.633 -75.482 -13.374 1.00 0.00 H +ATOM 6870 HG22 VAL A 471 -16.941 -74.151 -12.234 1.00 0.00 H +ATOM 6871 HG23 VAL A 471 -16.566 -75.779 -11.621 1.00 0.00 H +ATOM 6872 N GLY A 472 -21.015 -76.763 -10.695 1.00 58.16 N +ATOM 6873 CA GLY A 472 -22.420 -77.142 -10.602 1.00 64.71 C +ATOM 6874 C GLY A 472 -23.178 -76.399 -9.515 1.00 66.66 C +ATOM 6875 O GLY A 472 -24.333 -76.012 -9.708 1.00 65.76 O +ATOM 6876 H GLY A 472 -20.301 -77.458 -10.529 1.00 0.00 H +ATOM 6877 HA3 GLY A 472 -22.494 -78.215 -10.426 1.00 0.00 H +ATOM 6878 HA2 GLY A 472 -22.905 -76.971 -11.563 1.00 0.00 H +ATOM 6879 N ALA A 473 -22.546 -76.195 -8.354 1.00 61.34 N +ATOM 6880 CA ALA A 473 -23.213 -75.482 -7.266 1.00 64.96 C +ATOM 6881 C ALA A 473 -23.235 -73.972 -7.493 1.00 64.81 C +ATOM 6882 O ALA A 473 -24.249 -73.316 -7.223 1.00 69.66 O +ATOM 6883 CB ALA A 473 -22.536 -75.794 -5.930 1.00 59.35 C +ATOM 6884 H ALA A 473 -21.603 -76.534 -8.226 1.00 0.00 H +ATOM 6885 HA ALA A 473 -24.244 -75.832 -7.213 1.00 0.00 H +ATOM 6886 HB1 ALA A 473 -23.044 -75.256 -5.130 1.00 0.00 H +ATOM 6887 HB2 ALA A 473 -22.589 -76.865 -5.737 1.00 0.00 H +ATOM 6888 HB3 ALA A 473 -21.492 -75.484 -5.970 1.00 0.00 H +ATOM 6889 N THR A 474 -22.133 -73.398 -7.977 1.00 59.83 N +ATOM 6890 CA THR A 474 -22.045 -71.948 -8.061 1.00 59.23 C +ATOM 6891 C THR A 474 -22.836 -71.358 -9.223 1.00 49.48 C +ATOM 6892 O THR A 474 -23.145 -70.166 -9.203 1.00 50.74 O +ATOM 6893 CB THR A 474 -20.582 -71.497 -8.162 1.00 62.72 C +ATOM 6894 OG1 THR A 474 -19.724 -72.637 -8.296 1.00 63.98 O +ATOM 6895 CG2 THR A 474 -20.183 -70.706 -6.919 1.00 61.89 C +ATOM 6896 H THR A 474 -21.360 -73.970 -8.285 1.00 0.00 H +ATOM 6897 HA THR A 474 -22.455 -71.537 -7.139 1.00 0.00 H +ATOM 6898 HB THR A 474 -20.467 -70.861 -9.040 1.00 0.00 H +ATOM 6899 HG1 THR A 474 -18.811 -72.346 -8.359 1.00 0.00 H +ATOM 6900 HG21 THR A 474 -19.143 -70.393 -7.005 1.00 0.00 H +ATOM 6901 HG22 THR A 474 -20.820 -69.826 -6.827 1.00 0.00 H +ATOM 6902 HG23 THR A 474 -20.301 -71.333 -6.035 1.00 0.00 H +ATOM 6903 N ASN A 475 -23.185 -72.133 -10.242 1.00 59.82 N +ATOM 6904 CA ASN A 475 -23.864 -71.570 -11.405 1.00 54.92 C +ATOM 6905 C ASN A 475 -25.174 -72.306 -11.668 1.00 49.23 C +ATOM 6906 O ASN A 475 -25.299 -73.032 -12.662 1.00 61.99 O +ATOM 6907 CB ASN A 475 -22.942 -71.594 -12.621 1.00 51.18 C +ATOM 6908 CG ASN A 475 -21.604 -70.893 -12.348 1.00 56.51 C +ATOM 6909 OD1 ASN A 475 -21.471 -69.696 -12.567 1.00 55.09 O +ATOM 6910 ND2 ASN A 475 -20.616 -71.645 -11.867 1.00 51.34 N +ATOM 6911 H ASN A 475 -22.981 -73.122 -10.217 1.00 0.00 H +ATOM 6912 HA ASN A 475 -24.102 -70.529 -11.184 1.00 0.00 H +ATOM 6913 HB3 ASN A 475 -23.439 -71.111 -13.462 1.00 0.00 H +ATOM 6914 HB2 ASN A 475 -22.757 -72.627 -12.915 1.00 0.00 H +ATOM 6915 HD22 ASN A 475 -19.716 -71.231 -11.671 1.00 0.00 H +ATOM 6916 HD21 ASN A 475 -20.767 -72.629 -11.698 1.00 0.00 H +ATOM 6917 N PRO A 476 -26.182 -72.125 -10.806 1.00 52.71 N +ATOM 6918 CA PRO A 476 -27.524 -72.618 -11.150 1.00 56.02 C +ATOM 6919 C PRO A 476 -27.969 -72.018 -12.472 1.00 58.29 C +ATOM 6920 O PRO A 476 -27.644 -70.876 -12.804 1.00 65.15 O +ATOM 6921 CB PRO A 476 -28.405 -72.143 -9.983 1.00 57.59 C +ATOM 6922 CG PRO A 476 -27.643 -71.045 -9.320 1.00 50.31 C +ATOM 6923 CD PRO A 476 -26.180 -71.344 -9.551 1.00 49.00 C +ATOM 6924 HA PRO A 476 -27.525 -73.706 -11.208 1.00 0.00 H +ATOM 6925 HB3 PRO A 476 -28.545 -72.963 -9.278 1.00 0.00 H +ATOM 6926 HB2 PRO A 476 -29.342 -71.748 -10.375 1.00 0.00 H +ATOM 6927 HG3 PRO A 476 -27.850 -71.055 -8.250 1.00 0.00 H +ATOM 6928 HG2 PRO A 476 -27.897 -70.094 -9.788 1.00 0.00 H +ATOM 6929 HD2 PRO A 476 -25.642 -70.409 -9.709 1.00 0.00 H +ATOM 6930 HD3 PRO A 476 -25.808 -71.968 -8.739 1.00 0.00 H +ATOM 6931 N VAL A 477 -28.714 -72.808 -13.237 1.00 53.93 N +ATOM 6932 CA VAL A 477 -28.973 -72.530 -14.645 1.00 56.16 C +ATOM 6933 C VAL A 477 -30.466 -72.371 -14.870 1.00 55.52 C +ATOM 6934 O VAL A 477 -31.228 -73.303 -14.605 1.00 59.21 O +ATOM 6935 CB VAL A 477 -28.427 -73.645 -15.555 1.00 47.23 C +ATOM 6936 CG1 VAL A 477 -28.917 -73.368 -16.878 1.00 61.28 C +ATOM 6937 CG2 VAL A 477 -26.913 -73.681 -15.528 1.00 42.32 C +ATOM 6938 H VAL A 477 -29.129 -73.643 -12.848 1.00 0.00 H +ATOM 6939 HA VAL A 477 -28.481 -71.594 -14.910 1.00 0.00 H +ATOM 6940 HB VAL A 477 -28.816 -74.606 -15.220 1.00 0.00 H +ATOM 6941 HG11 VAL A 477 -28.557 -74.133 -17.567 1.00 0.00 H +ATOM 6942 HG12 VAL A 477 -30.007 -73.370 -16.870 1.00 0.00 H +ATOM 6943 HG13 VAL A 477 -28.559 -72.391 -17.202 1.00 0.00 H +ATOM 6944 HG21 VAL A 477 -26.556 -74.478 -16.180 1.00 0.00 H +ATOM 6945 HG22 VAL A 477 -26.520 -72.725 -15.875 1.00 0.00 H +ATOM 6946 HG23 VAL A 477 -26.572 -73.865 -14.509 1.00 0.00 H +ATOM 6947 N PRO A 478 -30.933 -71.250 -15.432 1.00 55.91 N +ATOM 6948 CA PRO A 478 -32.376 -71.093 -15.680 1.00 52.75 C +ATOM 6949 C PRO A 478 -32.915 -72.156 -16.633 1.00 49.23 C +ATOM 6950 O PRO A 478 -32.191 -72.686 -17.478 1.00 57.64 O +ATOM 6951 CB PRO A 478 -32.479 -69.692 -16.302 1.00 48.31 C +ATOM 6952 CG PRO A 478 -31.127 -69.444 -16.924 1.00 51.91 C +ATOM 6953 CD PRO A 478 -30.146 -70.133 -15.987 1.00 48.83 C +ATOM 6954 HA PRO A 478 -32.923 -71.124 -14.738 1.00 0.00 H +ATOM 6955 HB3 PRO A 478 -32.654 -68.959 -15.514 1.00 0.00 H +ATOM 6956 HB2 PRO A 478 -33.240 -69.698 -17.082 1.00 0.00 H +ATOM 6957 HG3 PRO A 478 -30.925 -68.373 -16.934 1.00 0.00 H +ATOM 6958 HG2 PRO A 478 -31.087 -69.921 -17.903 1.00 0.00 H +ATOM 6959 HD2 PRO A 478 -29.314 -70.532 -16.567 1.00 0.00 H +ATOM 6960 HD3 PRO A 478 -29.875 -69.449 -15.183 1.00 0.00 H +ATOM 6961 N GLN A 479 -34.214 -72.449 -16.501 1.00 50.14 N +ATOM 6962 CA GLN A 479 -34.861 -73.408 -17.400 1.00 53.83 C +ATOM 6963 C GLN A 479 -34.624 -73.062 -18.865 1.00 56.69 C +ATOM 6964 O GLN A 479 -34.386 -73.951 -19.695 1.00 57.34 O +ATOM 6965 CB GLN A 479 -36.370 -73.460 -17.149 1.00 56.90 C +ATOM 6966 CG GLN A 479 -37.081 -74.480 -18.068 1.00 51.16 C +ATOM 6967 CD GLN A 479 -36.692 -75.905 -17.717 1.00 49.46 C +ATOM 6968 OE1 GLN A 479 -36.623 -76.251 -16.541 1.00 52.71 O +ATOM 6969 NE2 GLN A 479 -36.449 -76.743 -18.732 1.00 48.50 N +ATOM 6970 H GLN A 479 -34.760 -72.007 -15.775 1.00 0.00 H +ATOM 6971 HA GLN A 479 -34.445 -74.397 -17.207 1.00 0.00 H +ATOM 6972 HB3 GLN A 479 -36.798 -72.470 -17.307 1.00 0.00 H +ATOM 6973 HB2 GLN A 479 -36.555 -73.720 -16.107 1.00 0.00 H +ATOM 6974 HG3 GLN A 479 -36.818 -74.278 -19.106 1.00 0.00 H +ATOM 6975 HG2 GLN A 479 -38.161 -74.364 -17.971 1.00 0.00 H +ATOM 6976 HE22 GLN A 479 -36.187 -77.700 -18.545 1.00 0.00 H +ATOM 6977 HE21 GLN A 479 -36.528 -76.418 -19.685 1.00 0.00 H +ATOM 6978 N ALA A 480 -34.714 -71.774 -19.201 1.00 43.39 N +ATOM 6979 CA ALA A 480 -34.569 -71.348 -20.585 1.00 44.58 C +ATOM 6980 C ALA A 480 -33.214 -71.744 -21.157 1.00 53.53 C +ATOM 6981 O ALA A 480 -33.122 -72.082 -22.341 1.00 57.12 O +ATOM 6982 CB ALA A 480 -34.774 -69.834 -20.682 1.00 45.77 C +ATOM 6983 H ALA A 480 -34.885 -71.077 -18.490 1.00 0.00 H +ATOM 6984 HA ALA A 480 -35.345 -71.836 -21.175 1.00 0.00 H +ATOM 6985 HB1 ALA A 480 -34.665 -69.518 -21.719 1.00 0.00 H +ATOM 6986 HB2 ALA A 480 -35.773 -69.579 -20.328 1.00 0.00 H +ATOM 6987 HB3 ALA A 480 -34.031 -69.326 -20.068 1.00 0.00 H +ATOM 6988 N TRP A 481 -32.157 -71.712 -20.337 1.00 55.07 N +ATOM 6989 CA TRP A 481 -30.829 -72.086 -20.818 1.00 57.39 C +ATOM 6990 C TRP A 481 -30.744 -73.574 -21.123 1.00 60.48 C +ATOM 6991 O TRP A 481 -30.078 -73.973 -22.083 1.00 57.34 O +ATOM 6992 CB TRP A 481 -29.767 -71.704 -19.786 1.00 53.40 C +ATOM 6993 CG TRP A 481 -28.327 -72.075 -20.153 1.00 56.93 C +ATOM 6994 CD1 TRP A 481 -27.380 -71.239 -20.681 1.00 55.56 C +ATOM 6995 NE1 TRP A 481 -26.197 -71.912 -20.867 1.00 44.80 N +ATOM 6996 CE2 TRP A 481 -26.350 -73.208 -20.447 1.00 50.42 C +ATOM 6997 CD2 TRP A 481 -27.679 -73.355 -19.991 1.00 53.88 C +ATOM 6998 CE3 TRP A 481 -28.095 -74.611 -19.523 1.00 50.16 C +ATOM 6999 CZ3 TRP A 481 -27.180 -75.648 -19.493 1.00 54.35 C +ATOM 7000 CH2 TRP A 481 -25.863 -75.471 -19.961 1.00 46.05 C +ATOM 7001 CZ2 TRP A 481 -25.431 -74.263 -20.430 1.00 47.97 C +ATOM 7002 H TRP A 481 -32.273 -71.427 -19.375 1.00 0.00 H +ATOM 7003 HA TRP A 481 -30.629 -71.535 -21.737 1.00 0.00 H +ATOM 7004 HB3 TRP A 481 -30.021 -72.152 -18.825 1.00 0.00 H +ATOM 7005 HB2 TRP A 481 -29.824 -70.633 -19.590 1.00 0.00 H +ATOM 7006 HD1 TRP A 481 -27.625 -70.208 -20.888 1.00 0.00 H +ATOM 7007 HE1 TRP A 481 -25.400 -71.432 -21.260 1.00 0.00 H +ATOM 7008 HE3 TRP A 481 -29.114 -74.755 -19.194 1.00 0.00 H +ATOM 7009 HZ3 TRP A 481 -27.471 -76.614 -19.106 1.00 0.00 H +ATOM 7010 HH2 TRP A 481 -25.171 -76.300 -19.954 1.00 0.00 H +ATOM 7011 HZ2 TRP A 481 -24.421 -74.105 -20.780 1.00 0.00 H +ATOM 7012 N SER A 482 -31.376 -74.410 -20.289 1.00 61.61 N +ATOM 7013 CA SER A 482 -31.366 -75.851 -20.527 1.00 57.77 C +ATOM 7014 C SER A 482 -32.068 -76.202 -21.832 1.00 62.13 C +ATOM 7015 O SER A 482 -31.708 -77.186 -22.488 1.00 69.89 O +ATOM 7016 CB SER A 482 -32.033 -76.583 -19.356 1.00 52.21 C +ATOM 7017 OG SER A 482 -31.499 -76.157 -18.108 1.00 56.39 O +ATOM 7018 H SER A 482 -31.867 -74.046 -19.485 1.00 0.00 H +ATOM 7019 HA SER A 482 -30.330 -76.182 -20.594 1.00 0.00 H +ATOM 7020 HB3 SER A 482 -31.883 -77.657 -19.467 1.00 0.00 H +ATOM 7021 HB2 SER A 482 -33.106 -76.395 -19.375 1.00 0.00 H +ATOM 7022 HG SER A 482 -31.934 -76.630 -17.395 1.00 0.00 H +ATOM 7023 N ASP A 483 -33.075 -75.413 -22.217 1.00 67.09 N +ATOM 7024 CA ASP A 483 -33.837 -75.636 -23.440 1.00 65.85 C +ATOM 7025 C ASP A 483 -33.064 -75.273 -24.694 1.00 66.68 C +ATOM 7026 O ASP A 483 -33.496 -75.649 -25.788 1.00 59.08 O +ATOM 7027 CB ASP A 483 -35.127 -74.811 -23.437 1.00 68.98 C +ATOM 7028 CG ASP A 483 -36.113 -75.245 -22.369 1.00 65.67 C +ATOM 7029 OD1 ASP A 483 -35.978 -76.359 -21.826 1.00 72.94 O +ATOM 7030 OD2 ASP A 483 -37.055 -74.471 -22.111 1.00 61.36 O1- +ATOM 7031 H ASP A 483 -33.339 -74.619 -21.651 1.00 0.00 H +ATOM 7032 HA ASP A 483 -34.103 -76.692 -23.493 1.00 0.00 H +ATOM 7033 HB3 ASP A 483 -35.601 -74.878 -24.416 1.00 0.00 H +ATOM 7034 HB2 ASP A 483 -34.883 -73.758 -23.298 1.00 0.00 H +ATOM 7035 N LEU A 484 -31.956 -74.535 -24.561 1.00 65.10 N +ATOM 7036 CA LEU A 484 -31.253 -74.024 -25.733 1.00 54.68 C +ATOM 7037 C LEU A 484 -30.770 -75.162 -26.630 1.00 58.01 C +ATOM 7038 O LEU A 484 -31.015 -75.150 -27.840 1.00 61.53 O +ATOM 7039 CB LEU A 484 -30.091 -73.115 -25.296 1.00 42.43 C +ATOM 7040 CG LEU A 484 -30.464 -71.674 -24.826 1.00 40.82 C +ATOM 7041 CD1 LEU A 484 -29.250 -70.861 -24.294 1.00 40.57 C +ATOM 7042 CD2 LEU A 484 -31.219 -70.853 -25.882 1.00 40.74 C +ATOM 7043 H LEU A 484 -31.596 -74.325 -23.641 1.00 0.00 H +ATOM 7044 HA LEU A 484 -31.954 -73.419 -26.307 1.00 0.00 H +ATOM 7045 HB3 LEU A 484 -29.362 -73.051 -26.104 1.00 0.00 H +ATOM 7046 HB2 LEU A 484 -29.522 -73.613 -24.510 1.00 0.00 H +ATOM 7047 HG LEU A 484 -31.146 -71.793 -23.984 1.00 0.00 H +ATOM 7048 HD11 LEU A 484 -29.583 -69.870 -23.985 1.00 0.00 H +ATOM 7049 HD12 LEU A 484 -28.811 -71.379 -23.441 1.00 0.00 H +ATOM 7050 HD13 LEU A 484 -28.504 -70.764 -25.082 1.00 0.00 H +ATOM 7051 HD21 LEU A 484 -31.443 -69.864 -25.482 1.00 0.00 H +ATOM 7052 HD22 LEU A 484 -30.601 -70.752 -26.774 1.00 0.00 H +ATOM 7053 HD23 LEU A 484 -32.149 -71.359 -26.140 1.00 0.00 H +ATOM 7054 N CYS A 485 -30.104 -76.175 -26.051 1.00 69.75 N +ATOM 7055 CA CYS A 485 -29.420 -77.165 -26.888 1.00 69.72 C +ATOM 7056 C CYS A 485 -30.373 -78.060 -27.673 1.00 76.38 C +ATOM 7057 O CYS A 485 -30.156 -78.228 -28.887 1.00 74.97 O +ATOM 7058 CB CYS A 485 -28.440 -77.986 -26.048 1.00 56.24 C +ATOM 7059 SG CYS A 485 -26.906 -77.095 -25.696 1.00 73.05 S +ATOM 7060 H CYS A 485 -30.077 -76.251 -25.044 1.00 0.00 H +ATOM 7061 HA CYS A 485 -28.829 -76.612 -27.618 1.00 0.00 H +ATOM 7062 HB3 CYS A 485 -28.208 -78.916 -26.568 1.00 0.00 H +ATOM 7063 HB2 CYS A 485 -28.917 -78.271 -25.110 1.00 0.00 H +ATOM 7064 N PRO A 486 -31.408 -78.679 -27.078 1.00 69.10 N +ATOM 7065 CA PRO A 486 -32.353 -79.448 -27.916 1.00 74.12 C +ATOM 7066 C PRO A 486 -32.916 -78.635 -29.074 1.00 67.07 C +ATOM 7067 O PRO A 486 -32.855 -79.088 -30.228 1.00 56.88 O +ATOM 7068 CB PRO A 486 -33.441 -79.880 -26.916 1.00 67.91 C +ATOM 7069 CG PRO A 486 -33.259 -78.975 -25.725 1.00 73.64 C +ATOM 7070 CD PRO A 486 -31.786 -78.740 -25.657 1.00 68.24 C +ATOM 7071 HA PRO A 486 -31.851 -80.333 -28.307 1.00 0.00 H +ATOM 7072 HB3 PRO A 486 -33.266 -80.913 -26.615 1.00 0.00 H +ATOM 7073 HB2 PRO A 486 -34.424 -79.707 -27.354 1.00 0.00 H +ATOM 7074 HG3 PRO A 486 -33.584 -79.495 -24.824 1.00 0.00 H +ATOM 7075 HG2 PRO A 486 -33.767 -78.029 -25.910 1.00 0.00 H +ATOM 7076 HD2 PRO A 486 -31.598 -77.771 -25.194 1.00 0.00 H +ATOM 7077 HD3 PRO A 486 -31.306 -79.602 -25.195 1.00 0.00 H +ATOM 7078 N THR A 487 -33.424 -77.426 -28.792 1.00 57.98 N +ATOM 7079 CA THR A 487 -33.921 -76.535 -29.840 1.00 55.72 C +ATOM 7080 C THR A 487 -32.906 -76.341 -30.959 1.00 56.08 C +ATOM 7081 O THR A 487 -33.230 -76.479 -32.143 1.00 73.02 O +ATOM 7082 CB THR A 487 -34.277 -75.172 -29.253 1.00 48.49 C +ATOM 7083 OG1 THR A 487 -35.222 -75.340 -28.190 1.00 50.60 O +ATOM 7084 CG2 THR A 487 -34.870 -74.292 -30.362 1.00 41.94 C +ATOM 7085 H THR A 487 -33.471 -77.109 -27.834 1.00 0.00 H +ATOM 7086 HA THR A 487 -34.824 -76.973 -30.266 1.00 0.00 H +ATOM 7087 HB THR A 487 -33.375 -74.701 -28.862 1.00 0.00 H +ATOM 7088 HG1 THR A 487 -34.753 -75.449 -27.359 1.00 0.00 H +ATOM 7089 HG21 THR A 487 -35.128 -73.315 -29.953 1.00 0.00 H +ATOM 7090 HG22 THR A 487 -34.137 -74.169 -31.160 1.00 0.00 H +ATOM 7091 HG23 THR A 487 -35.766 -74.766 -30.762 1.00 0.00 H +ATOM 7092 N TYR A 488 -31.675 -75.982 -30.598 1.00 51.71 N +ATOM 7093 CA TYR A 488 -30.633 -75.810 -31.605 1.00 59.36 C +ATOM 7094 C TYR A 488 -30.407 -77.089 -32.406 1.00 69.81 C +ATOM 7095 O TYR A 488 -30.255 -77.046 -33.636 1.00 59.49 O +ATOM 7096 CB TYR A 488 -29.331 -75.383 -30.940 1.00 50.28 C +ATOM 7097 CG TYR A 488 -28.267 -75.049 -31.943 1.00 52.50 C +ATOM 7098 CD1 TYR A 488 -28.298 -73.829 -32.620 1.00 49.07 C +ATOM 7099 CE1 TYR A 488 -27.340 -73.501 -33.560 1.00 46.74 C +ATOM 7100 CZ TYR A 488 -26.316 -74.391 -33.821 1.00 60.64 C +ATOM 7101 OH TYR A 488 -25.373 -74.025 -34.745 1.00 62.07 O +ATOM 7102 CE2 TYR A 488 -26.253 -75.622 -33.162 1.00 53.34 C +ATOM 7103 CD2 TYR A 488 -27.236 -75.944 -32.226 1.00 47.75 C +ATOM 7104 H TYR A 488 -31.459 -75.828 -29.623 1.00 0.00 H +ATOM 7105 HA TYR A 488 -30.944 -75.023 -32.292 1.00 0.00 H +ATOM 7106 HB3 TYR A 488 -28.977 -76.182 -30.289 1.00 0.00 H +ATOM 7107 HB2 TYR A 488 -29.515 -74.516 -30.305 1.00 0.00 H +ATOM 7108 HD1 TYR A 488 -29.083 -73.117 -32.414 1.00 0.00 H +ATOM 7109 HE1 TYR A 488 -27.397 -72.557 -34.082 1.00 0.00 H +ATOM 7110 HH TYR A 488 -25.583 -73.154 -35.089 1.00 0.00 H +ATOM 7111 HE2 TYR A 488 -25.450 -76.311 -33.380 1.00 0.00 H +ATOM 7112 HD2 TYR A 488 -27.193 -76.897 -31.719 1.00 0.00 H +ATOM 7113 N ASP A 489 -30.376 -78.239 -31.722 1.00 60.94 N +ATOM 7114 CA ASP A 489 -30.000 -79.479 -32.382 1.00 57.29 C +ATOM 7115 C ASP A 489 -31.104 -80.004 -33.286 1.00 62.67 C +ATOM 7116 O ASP A 489 -30.821 -80.777 -34.207 1.00 62.84 O +ATOM 7117 CB ASP A 489 -29.593 -80.520 -31.333 1.00 66.49 C +ATOM 7118 CG ASP A 489 -28.308 -80.131 -30.598 1.00 69.89 C +ATOM 7119 OD1 ASP A 489 -27.468 -79.446 -31.210 1.00 84.40 O +ATOM 7120 OD2 ASP A 489 -28.134 -80.494 -29.418 1.00 74.06 O1- +ATOM 7121 H ASP A 489 -30.615 -78.249 -30.741 1.00 0.00 H +ATOM 7122 HA ASP A 489 -29.129 -79.275 -33.004 1.00 0.00 H +ATOM 7123 HB3 ASP A 489 -29.455 -81.487 -31.817 1.00 0.00 H +ATOM 7124 HB2 ASP A 489 -30.401 -80.642 -30.611 1.00 0.00 H +ATOM 7125 N ALA A 490 -32.350 -79.575 -33.073 1.00 67.63 N +ATOM 7126 CA ALA A 490 -33.406 -79.928 -34.011 1.00 65.64 C +ATOM 7127 C ALA A 490 -33.262 -79.188 -35.367 1.00 66.91 C +ATOM 7128 O ALA A 490 -33.744 -79.697 -36.369 1.00 63.11 O +ATOM 7129 CB ALA A 490 -34.771 -79.661 -33.368 1.00 44.82 C +ATOM 7130 H ALA A 490 -32.557 -79.008 -32.263 1.00 0.00 H +ATOM 7131 HA ALA A 490 -33.333 -80.998 -34.208 1.00 0.00 H +ATOM 7132 HB1 ALA A 490 -35.562 -79.925 -34.070 1.00 0.00 H +ATOM 7133 HB2 ALA A 490 -34.872 -80.263 -32.465 1.00 0.00 H +ATOM 7134 HB3 ALA A 490 -34.852 -78.605 -33.111 1.00 0.00 H +ATOM 7135 N LEU A 491 -32.562 -78.044 -35.456 1.00 73.32 N +ATOM 7136 CA LEU A 491 -32.341 -77.347 -36.735 1.00 73.84 C +ATOM 7137 C LEU A 491 -31.329 -78.137 -37.585 1.00 72.68 C +ATOM 7138 O LEU A 491 -30.365 -78.675 -37.027 1.00 70.56 O +ATOM 7139 CB LEU A 491 -31.721 -75.950 -36.478 1.00 81.15 C +ATOM 7140 CG LEU A 491 -32.497 -75.015 -35.527 1.00 83.21 C +ATOM 7141 CD1 LEU A 491 -31.671 -73.751 -35.242 1.00 73.14 C +ATOM 7142 CD2 LEU A 491 -33.882 -74.643 -36.079 1.00 85.86 C +ATOM 7143 H LEU A 491 -31.961 -77.777 -34.692 1.00 0.00 H +ATOM 7144 HA LEU A 491 -33.280 -77.252 -37.285 1.00 0.00 H +ATOM 7145 HB3 LEU A 491 -31.584 -75.445 -37.437 1.00 0.00 H +ATOM 7146 HB2 LEU A 491 -30.713 -76.081 -36.083 1.00 0.00 H +ATOM 7147 HG LEU A 491 -32.636 -75.527 -34.575 1.00 0.00 H +ATOM 7148 HD11 LEU A 491 -32.183 -73.085 -34.547 1.00 0.00 H +ATOM 7149 HD12 LEU A 491 -30.702 -74.000 -34.806 1.00 0.00 H +ATOM 7150 HD13 LEU A 491 -31.481 -73.189 -36.159 1.00 0.00 H +ATOM 7151 HD21 LEU A 491 -34.402 -73.959 -35.409 1.00 0.00 H +ATOM 7152 HD22 LEU A 491 -33.795 -74.154 -37.052 1.00 0.00 H +ATOM 7153 HD23 LEU A 491 -34.511 -75.525 -36.205 1.00 0.00 H +ATOM 7154 N SER A 492 -31.489 -78.159 -38.916 1.00 75.71 N +ATOM 7155 CA SER A 492 -30.471 -78.699 -39.820 1.00 77.39 C +ATOM 7156 C SER A 492 -29.283 -77.712 -39.794 1.00 81.04 C +ATOM 7157 O SER A 492 -29.537 -76.511 -39.711 1.00 89.95 O +ATOM 7158 CB SER A 492 -31.012 -78.789 -41.268 1.00 76.27 C +ATOM 7159 OG SER A 492 -32.382 -79.152 -41.305 1.00 77.67 O +ATOM 7160 H SER A 492 -32.244 -77.651 -39.373 1.00 0.00 H +ATOM 7161 HA SER A 492 -30.206 -79.695 -39.472 1.00 0.00 H +ATOM 7162 HB3 SER A 492 -30.432 -79.515 -41.839 1.00 0.00 H +ATOM 7163 HB2 SER A 492 -30.904 -77.841 -41.801 1.00 0.00 H +ATOM 7164 HG SER A 492 -32.845 -78.295 -41.262 1.00 0.00 H +ATOM 7165 N PRO A 493 -28.007 -78.157 -39.839 1.00 37.02 N +ATOM 7166 CA PRO A 493 -26.822 -77.279 -39.908 1.00 35.42 C +ATOM 7167 C PRO A 493 -26.890 -76.130 -40.939 1.00 36.58 C +ATOM 7168 O PRO A 493 -26.334 -75.062 -40.705 1.00 39.32 O +ATOM 7169 CB PRO A 493 -25.657 -78.227 -40.219 1.00 38.15 C +ATOM 7170 CG PRO A 493 -26.088 -79.563 -39.636 1.00 40.60 C +ATOM 7171 CD PRO A 493 -27.612 -79.563 -39.759 1.00 39.46 C +ATOM 7172 HA PRO A 493 -26.688 -76.837 -38.920 1.00 0.00 H +ATOM 7173 HB3 PRO A 493 -24.713 -77.869 -39.812 1.00 0.00 H +ATOM 7174 HB2 PRO A 493 -25.532 -78.334 -41.299 1.00 0.00 H +ATOM 7175 HG3 PRO A 493 -25.814 -79.596 -38.581 1.00 0.00 H +ATOM 7176 HG2 PRO A 493 -25.625 -80.417 -40.130 1.00 0.00 H +ATOM 7177 HD2 PRO A 493 -27.927 -80.073 -40.670 1.00 0.00 H +ATOM 7178 HD3 PRO A 493 -28.069 -80.062 -38.904 1.00 0.00 H +ATOM 7179 N ASP A 494 -27.590 -76.361 -42.053 1.00 37.69 N +ATOM 7180 CA ASP A 494 -27.841 -75.447 -43.163 1.00 38.75 C +ATOM 7181 C ASP A 494 -28.973 -74.431 -42.867 1.00 32.88 C +ATOM 7182 O ASP A 494 -29.132 -73.481 -43.633 1.00 31.58 O +ATOM 7183 CB ASP A 494 -28.250 -76.277 -44.417 1.00 44.74 C +ATOM 7184 CG ASP A 494 -27.422 -77.542 -44.675 1.00 57.36 C +ATOM 7185 OD1 ASP A 494 -26.668 -77.559 -45.673 1.00 60.91 O +ATOM 7186 OD2 ASP A 494 -27.554 -78.482 -43.853 1.00 60.54 O1- +ATOM 7187 H ASP A 494 -27.822 -77.326 -42.281 1.00 0.00 H +ATOM 7188 HA ASP A 494 -26.922 -74.899 -43.379 1.00 0.00 H +ATOM 7189 HB3 ASP A 494 -28.213 -75.645 -45.304 1.00 0.00 H +ATOM 7190 HB2 ASP A 494 -29.288 -76.602 -44.327 1.00 0.00 H +ATOM 7191 N ASP A 495 -29.747 -74.614 -41.782 1.00 28.88 N +ATOM 7192 CA ASP A 495 -30.849 -73.746 -41.324 1.00 28.68 C +ATOM 7193 C ASP A 495 -30.407 -72.833 -40.147 1.00 26.22 C +ATOM 7194 O ASP A 495 -31.266 -72.202 -39.523 1.00 28.67 O +ATOM 7195 CB ASP A 495 -32.047 -74.573 -40.743 1.00 32.56 C +ATOM 7196 CG ASP A 495 -32.760 -75.599 -41.615 1.00 37.98 C +ATOM 7197 OD1 ASP A 495 -33.026 -75.310 -42.799 1.00 40.50 O +ATOM 7198 OD2 ASP A 495 -33.131 -76.651 -41.033 1.00 40.59 O1- +ATOM 7199 H ASP A 495 -29.518 -75.390 -41.170 1.00 0.00 H +ATOM 7200 HA ASP A 495 -31.206 -73.122 -42.144 1.00 0.00 H +ATOM 7201 HB3 ASP A 495 -32.843 -73.891 -40.441 1.00 0.00 H +ATOM 7202 HB2 ASP A 495 -31.733 -75.084 -39.835 1.00 0.00 H +ATOM 7203 N GLN A 496 -29.119 -72.809 -39.770 1.00 29.79 N +ATOM 7204 CA GLN A 496 -28.611 -72.129 -38.570 1.00 28.97 C +ATOM 7205 C GLN A 496 -27.961 -70.777 -38.913 1.00 28.96 C +ATOM 7206 O GLN A 496 -28.020 -69.883 -38.035 1.00 28.64 O +ATOM 7207 CB GLN A 496 -27.556 -73.028 -37.882 1.00 32.23 C +ATOM 7208 CG GLN A 496 -28.162 -74.341 -37.345 1.00 31.32 C +ATOM 7209 CD GLN A 496 -27.295 -75.094 -36.334 1.00 35.49 C +ATOM 7210 OE1 GLN A 496 -26.120 -74.812 -36.120 1.00 36.42 O +ATOM 7211 NE2 GLN A 496 -27.873 -76.081 -35.661 1.00 38.52 N +ATOM 7212 OXT GLN A 496 -27.366 -70.663 -40.008 1.00 29.56 O1- +ATOM 7213 H GLN A 496 -28.426 -73.168 -40.408 1.00 0.00 H +ATOM 7214 HA GLN A 496 -29.421 -71.931 -37.867 1.00 0.00 H +ATOM 7215 HB3 GLN A 496 -27.108 -72.469 -37.059 1.00 0.00 H +ATOM 7216 HB2 GLN A 496 -26.742 -73.249 -38.575 1.00 0.00 H +ATOM 7217 HG3 GLN A 496 -28.367 -75.002 -38.182 1.00 0.00 H +ATOM 7218 HG2 GLN A 496 -29.123 -74.126 -36.876 1.00 0.00 H +ATOM 7219 HE22 GLN A 496 -27.319 -76.596 -35.003 1.00 0.00 H +ATOM 7220 HE21 GLN A 496 -28.832 -76.339 -35.845 1.00 0.00 H +HETATM 7221 CU CU C 497 -14.918 -59.751 -26.747 1.00 57.22 Cu2+ +HETATM 7222 CU CU C 498 -14.198 -64.618 -26.122 1.00 59.09 Cu2+ +HETATM 7223 CU CU C 499 -14.716 -61.734 -23.139 1.00 81.36 Cu2+ +HETATM 7224 CU CU C 500 -4.680 -63.971 -33.688 1.00 64.05 Cu2+ +HETATM 7225 C1 ANL L 501 -5.465 -70.146 -44.042 1.00 0.00 C +HETATM 7226 C2 ANL L 501 -6.153 -68.921 -43.931 1.00 0.00 C +HETATM 7227 C3 ANL L 501 -7.552 -68.933 -43.768 1.00 0.00 C +HETATM 7228 C4 ANL L 501 -8.247 -70.159 -43.718 1.00 0.00 C +HETATM 7229 C5 ANL L 501 -7.548 -71.378 -43.830 1.00 0.00 C +HETATM 7230 C6 ANL L 501 -6.148 -71.377 -43.993 1.00 0.00 C +HETATM 7231 N1 ANL L 501 -3.979 -70.138 -44.219 1.00 0.00 N1+ +HETATM 7232 H1 ANL L 501 -5.635 -67.973 -43.969 1.00 0.00 H +HETATM 7233 H2 ANL L 501 -8.099 -68.003 -43.682 1.00 0.00 H +HETATM 7234 H3 ANL L 501 -9.323 -70.164 -43.595 1.00 0.00 H +HETATM 7235 H4 ANL L 501 -8.091 -72.313 -43.793 1.00 0.00 H +HETATM 7236 H5 ANL L 501 -5.627 -72.320 -44.080 1.00 0.00 H +HETATM 7237 H6 ANL L 501 -3.570 -69.337 -43.761 1.00 0.00 H +HETATM 7238 H7 ANL L 501 -3.569 -70.970 -43.820 1.00 0.00 H +HETATM 7239 HN1 ANL L 501 -3.741 -70.103 -45.200 1.00 0.00 H +ENDMDL diff --git a/peleffy/main.py b/peleffy/main.py index 6a1cb2df..978bae8b 100644 --- a/peleffy/main.py +++ b/peleffy/main.py @@ -165,17 +165,19 @@ def run_peleffy(pdb_file, from peleffy.forcefield import ForceFieldSelector from peleffy.topology import Topology from peleffy.utils import parse_charges_from_mae - from peleffy.utils.input import PDB + from peleffy.utils.input import PDBFile if not output: output = os.getcwd() # Initialize molecule if chain is not None: - PDBreader = PDB(pdb_file) - molecule = PDBreader.get_molecule_from_chain(selected_chain=chain, - rotamer_resolution=resolution, - exclude_terminal_rotamers=exclude_terminal_rotamers) + PDBreader = PDBFile(pdb_file) + molecule = \ + PDBreader.get_molecule_from_chain(selected_chain=chain, + rotamer_resolution=resolution, + exclude_terminal_rotamers= + exclude_terminal_rotamers) else: molecule = Molecule(pdb_file, rotamer_resolution=resolution, exclude_terminal_rotamers=exclude_terminal_rotamers) diff --git a/peleffy/tests/test_utils.py b/peleffy/tests/test_utils.py index b098b141..7dc2c793 100644 --- a/peleffy/tests/test_utils.py +++ b/peleffy/tests/test_utils.py @@ -620,9 +620,9 @@ def test_parse_charges_from_mae(self): _ = parse_charges_from_mae(PATH_PDB_BHP, parameters) -class TestPDB(object): +class TestPDBFile(object): """ - It contains all the tests to validate the PDB class. + It contains all the tests to validate the PDBFile class. """ def test_get_molecule_from_chain(self): """ @@ -657,7 +657,7 @@ def compare_molecules(mol1, mol2): else: return False - from peleffy.utils.input import PDB + from peleffy.utils.input import PDBFile from peleffy.utils import get_data_file_path from peleffy.topology import Molecule @@ -665,37 +665,41 @@ def compare_molecules(mol1, mol2): PATH_LIGAND_PDB = get_data_file_path('ligands/BNZ.pdb') # Test method get_molecule_from_chain - PDBreader = PDB(PATH_COMPLEX_PDB) + PDBreader = PDBFile(PATH_COMPLEX_PDB) molecule = PDBreader.get_molecule_from_chain(selected_chain='L') - assert compare_molecules(molecule, Molecule(PATH_LIGAND_PDB)) is True # Test allow_undefined_stereo flag - PDBreader = PDB(PATH_COMPLEX_PDB) + PDBreader = PDBFile(PATH_COMPLEX_PDB) molecule = \ PDBreader.get_molecule_from_chain(selected_chain='L', allow_undefined_stereo=True) - assert compare_molecules(molecule, Molecule(PATH_LIGAND_PDB, allow_undefined_stereo=True)) is True # Test exclude_terminal_rotamers flag - PDBreader = PDB(PATH_COMPLEX_PDB) + PDBreader = PDBFile(PATH_COMPLEX_PDB) molecule = \ PDBreader.get_molecule_from_chain(selected_chain='L', exclude_terminal_rotamers=False) - assert compare_molecules(molecule, Molecule( PATH_LIGAND_PDB, exclude_terminal_rotamers=False)) is True - # Test rotamer_resolution frag - PDBreader = PDB(PATH_COMPLEX_PDB) + # Test rotamer_resolution flag + PDBreader = PDBFile(PATH_COMPLEX_PDB) molecule = PDBreader.get_molecule_from_chain(selected_chain='L', rotamer_resolution=10) + assert compare_molecules(molecule, + Molecule(PATH_LIGAND_PDB, + rotamer_resolution=10)) is True + + # Test core_constraints flag + PDBreader = PDBFile(PATH_COMPLEX_PDB) + molecule = PDBreader.get_molecule_from_chain(selected_chain='L', + core_constraints=[1,2]) + assert molecule.core_constraints == [1,2] - assert compare_molecules(molecule, Molecule( - PATH_LIGAND_PDB, rotamer_resolution=10)) is True def test_get_hetero_molecules(self): """ @@ -730,7 +734,7 @@ def compare_molecules(mol1, mol2): else: return False - from peleffy.utils.input import PDB + from peleffy.utils.input import PDBFile from peleffy.utils import get_data_file_path from peleffy.topology import Molecule @@ -738,7 +742,8 @@ def compare_molecules(mol1, mol2): PATH_LIGAND1 = get_data_file_path('ligands/LIG1.pdb') PATH_LIGAND2 = get_data_file_path('ligands/LIG2.pdb') - PDBreader = PDB(PATH_COMPLEX_PDB) + # Test extract multiple molecules + PDBreader = PDBFile(PATH_COMPLEX_PDB) molecules = PDBreader.get_hetero_molecules() for molecule in molecules: @@ -746,21 +751,34 @@ def compare_molecules(mol1, mol2): if molecule._tag == molecule_ref.tag: assert compare_molecules(molecule, molecule_ref) + # Test set ligand core constraints + PATH_COMPLEX_PDB = get_data_file_path('complexes/complex_test.pdb') + molecules = \ + PDBreader.get_hetero_molecules(allow_undefined_stereo = True, + ligand_core_constraints = [1,2,3], + ligand_resname = 'ANL') + for molecule in molecules: + if molecule._tag == 'ANL': + assert molecule.core_constraints == [1,2,3] + else: + assert molecule.core_constraints == [] + + def test_raise_errors(self): """ It tests all the possible errors when geting a molecule from a chain. """ - from peleffy.utils.input import PDB + from peleffy.utils.input import PDBFile from peleffy.utils import get_data_file_path PATH_COMPLEX_PDB = get_data_file_path('complexes/LYS_BNZ.pdb') # The chain selected does not exist in the PDB file with pytest.raises(ValueError): - PDBreader = PDB(PATH_COMPLEX_PDB) + PDBreader = PDBFile(PATH_COMPLEX_PDB) _ = PDBreader.get_molecule_from_chain(selected_chain='F') # The chain selected is not an hetero molecule with pytest.raises(ValueError): - PDBreader = PDB(PATH_COMPLEX_PDB) + PDBreader = PDBFile(PATH_COMPLEX_PDB) _ = PDBreader.get_molecule_from_chain(selected_chain='A') diff --git a/peleffy/utils/input.py b/peleffy/utils/input.py index 6e65cb70..77455f71 100644 --- a/peleffy/utils/input.py +++ b/peleffy/utils/input.py @@ -5,7 +5,7 @@ from peleffy.utils import Logger -class PDB(object): +class PDBFile(object): """ It handles an input PDB file and allows the extraction of multiple molecules as peleffy.topology.Molecule objects. @@ -25,24 +25,25 @@ def __init__(self, path): Load all the hetero molecules from a PDB - >>> from peleffy.utils.input import PDB + >>> from peleffy.utils.input import PDBFile - >>> PDBreader = PDB('/path/to/pdb.pdb') + >>> PDBreader = PDBFile('/path/to/pdb.pdb') >>> molecules = PDBreader.get_hetero_molecules() Load from a PDB the hetero atom in the L chain. - >>> from peleffy.utils.input import PDB + >>> from peleffy.utils.input import PDBFile - >>> PDBreader = PDB('/path/to/pdb.pdb') + >>> PDBreader = PDBFile('/path/to/pdb.pdb') >>> molecule = PDBreader.get_molecule_from_chain(selected_chain = 'L') """ self.pdb_content = open(path, 'r').readlines() - def extract_molecule_from_chain(self, chain, rotamer_resolution, - exclude_terminal_rotamers, - allow_undefined_stereo): + def _extract_molecule_from_chain(self, chain, rotamer_resolution, + exclude_terminal_rotamers, + allow_undefined_stereo, + core_constraints): """ It extracts a peleffy.topology.Molecule object selected by the chain. @@ -60,18 +61,24 @@ def extract_molecule_from_chain(self, chain, rotamer_resolution, Whether to allow a molecule with undefined stereochemistry to be defined or try to assign the stereochemistry and raise a complaint if not possible. Default is False + core_constraints : list[int or str] + It defines the list of atoms to constrain in the core, thus, + the core will be forced to contain them. Atoms can be specified + through integers that match the atom index or strings that + match with the atom PDB name Returns ------- - molecule : a peleffy.topology.Molecule object - Selected molecule. + molecule : list[peleffy.topology.Molecule object] + Selected molecules. """ from peleffy.topology.molecule import Molecule # Check if there is more than one hetero molecule in the same chain residues_ids = set([line[22:26].strip() for line in self.pdb_content - if line.startswith('HETATM') and line[21:22] == chain - and not line[17:20].strip() == 'HOH']) + if line.startswith('HETATM') + and line[21:22] == chain + and not line[17:20].strip() == 'HOH']) molecules = [] for residue_id in residues_ids: @@ -82,39 +89,41 @@ def extract_molecule_from_chain(self, chain, rotamer_resolution, # Select which atoms compose this hetero molecule atom_ids = [line[6:11].strip() for line in self.pdb_content - if line.startswith('HETATM') - and line[21:22] == chain - and line[22:26].strip() == residue_id] + if line.startswith('HETATM') + and line[21:22] == chain + and line[22:26].strip() == residue_id] # Extract the PDB block of the molecule pdb_block = [line for line in self.pdb_content - if (line.startswith('HETATM') or - line.startswith('CONECT')) - and any(' {} '.format(a) in line for a in atom_ids)] + if (line.startswith('HETATM') or + line.startswith('CONECT')) + and any(' {} '.format(a) in line for a in atom_ids)] try: - molecules.append(Molecule(pdb_block=''.join(pdb_block), - rotamer_resolution=rotamer_resolution, - exclude_terminal_rotamers=exclude_terminal_rotamers, - allow_undefined_stereo=allow_undefined_stereo)) + molecules.append( + Molecule(pdb_block=''.join(pdb_block), + rotamer_resolution=rotamer_resolution, + exclude_terminal_rotamers=exclude_terminal_rotamers, + allow_undefined_stereo=allow_undefined_stereo, + core_constraints=core_constraints)) except Exception: log = Logger() log.warning(' - Skipping {} from chain {}.' - .format(list(res_name)[0],chain)) + .format(list(res_name)[0], chain)) return molecules def get_hetero_molecules(self, rotamer_resolution=30, exclude_terminal_rotamers=True, - allow_undefined_stereo=False): + allow_undefined_stereo=False, + ligand_core_constraints=[], + ligand_resname=None): """ It returns a list of peleffy.topology.Molecule objects with all the hetero molecules contained in the PDB. - Returns - ------- - molecules : list[peleffy.topology.Molecule] - List of the multiple molecules in the PDB file + Parameters + ---------- rotamer_resolution : float The resolution in degrees to discretize the rotamer's conformational space. Default is 30 @@ -125,22 +134,48 @@ def get_hetero_molecules(self, rotamer_resolution=30, Whether to allow a molecule with undefined stereochemistry to be defined or try to assign the stereochemistry and raise a complaint if not possible. Default is False + ligand_core_constraints : list[int or str] + It defines the list of atoms to constrain in the core of the ligand, + thus, the core will be forced to contain them. + Atoms can be specified through integers that match the atom index or + strings that match with the atom PDB name + ligand_resname : str + Residue name of the ligand. Default is None + + Returns + ------- + molecules : list[peleffy.topology.Molecule] + List of the multiple molecules in the PDB file """ chain_ids = set([line[21:22] for line in self.pdb_content if line.startswith('HETATM') and not line[17:20].strip() == 'HOH']) - molecules = [self.extract_molecule_from_chain( + # Assign core constraints to the ligand, if specified + d = {} + for chain in chain_ids: + resnames = \ + list(set([line[17:20].strip() for line in self.pdb_content + if line.startswith('HETATM') and line[21:22] == chain + and not line[17:20].strip() == 'HOH'])) + core_constraints = \ + ligand_core_constraints if ligand_resname in resnames else [] + d[chain] = {'Residues names': resnames, + 'Core constraints': core_constraints} + + molecules = [self._extract_molecule_from_chain( chain=chain_id, rotamer_resolution=rotamer_resolution, exclude_terminal_rotamers=exclude_terminal_rotamers, - allow_undefined_stereo=allow_undefined_stereo) + allow_undefined_stereo=allow_undefined_stereo, + core_constraints=d[chain_id]['Core constraints']) for chain_id in chain_ids] return sum(molecules, []) def get_molecule_from_chain(self, selected_chain, rotamer_resolution=30, exclude_terminal_rotamers=True, - allow_undefined_stereo=False): + allow_undefined_stereo=False, + core_constraints=[]): """ It selects a molecule from a chain. It handles the possibles error when selecting the chain for a PDB, and if any it returns the molecule as a @@ -181,10 +216,17 @@ def get_molecule_from_chain(self, selected_chain, rotamer_resolution=30, raise ValueError('The selected chain {}'.format(selected_chain) + ' is not a hetero molecule. Peleffy' + ' is only compatible with hetero atoms.') - molecules = self.extract_molecule_from_chain(chain=selected_chain, - rotamer_resolution=rotamer_resolution, - exclude_terminal_rotamers=exclude_terminal_rotamers, - allow_undefined_stereo=allow_undefined_stereo) - - return molecules[0] if len(molecules) == 1 else molecules - + molecules = self._extract_molecule_from_chain( + chain=selected_chain, + rotamer_resolution=rotamer_resolution, + exclude_terminal_rotamers=exclude_terminal_rotamers, + allow_undefined_stereo=allow_undefined_stereo, + core_constraints=core_constraints) + + if len(molecules) == 1: + return molecules[0] + else: + log = Logger() + log.warning(' - This chain contains more than one molecule.' + + ' A list of molecules is returned.') + return molecules From f4d050b470138032399553d51437a8b3193da7bf Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Mart=C3=AD=20Municoy?= Date: Tue, 20 Apr 2021 15:53:40 +0200 Subject: [PATCH 16/16] Return consistent molecules list and other minor issues --- peleffy/main.py | 14 +++---- peleffy/tests/test_utils.py | 41 ++++++++++---------- peleffy/utils/input.py | 76 +++++++++++++++++++------------------ 3 files changed, 69 insertions(+), 62 deletions(-) diff --git a/peleffy/main.py b/peleffy/main.py index 406b5e07..6a30e1aa 100644 --- a/peleffy/main.py +++ b/peleffy/main.py @@ -180,14 +180,14 @@ def run_peleffy(pdb_file, # Initialize molecule if chain is not None: PDBreader = PDBFile(pdb_file) - molecule = \ - PDBreader.get_molecule_from_chain(selected_chain=chain, - rotamer_resolution=resolution, - exclude_terminal_rotamers= - exclude_terminal_rotamers) + molecule = PDBreader.get_molecules_from_chain( + selected_chain=chain, + rotamer_resolution=resolution, + exclude_terminal_rotamers=exclude_terminal_rotamers) else: - molecule = Molecule(pdb_file, rotamer_resolution=resolution, - exclude_terminal_rotamers=exclude_terminal_rotamers) + molecule = Molecule( + pdb_file, rotamer_resolution=resolution, + exclude_terminal_rotamers=exclude_terminal_rotamers) # Initialize force field ff_selector = ForceFieldSelector() diff --git a/peleffy/tests/test_utils.py b/peleffy/tests/test_utils.py index d099af10..22142674 100644 --- a/peleffy/tests/test_utils.py +++ b/peleffy/tests/test_utils.py @@ -724,39 +724,43 @@ def compare_molecules(mol1, mol2): # Test method get_molecule_from_chain PDBreader = PDBFile(PATH_COMPLEX_PDB) - molecule = PDBreader.get_molecule_from_chain(selected_chain='L') - assert compare_molecules(molecule, Molecule(PATH_LIGAND_PDB)) is True + molecules = PDBreader.get_molecules_from_chain(selected_chain='L') + assert len(molecules) == 1, 'Unexpected number of molecules' + assert compare_molecules(molecules[0], Molecule(PATH_LIGAND_PDB)) is True # Test allow_undefined_stereo flag PDBreader = PDBFile(PATH_COMPLEX_PDB) - molecule = \ - PDBreader.get_molecule_from_chain(selected_chain='L', - allow_undefined_stereo=True) - assert compare_molecules(molecule, + molecules = \ + PDBreader.get_molecules_from_chain(selected_chain='L', + allow_undefined_stereo=True) + assert len(molecules) == 1, 'Unexpected number of molecules' + assert compare_molecules(molecules[0], Molecule(PATH_LIGAND_PDB, allow_undefined_stereo=True)) is True # Test exclude_terminal_rotamers flag PDBreader = PDBFile(PATH_COMPLEX_PDB) - molecule = \ - PDBreader.get_molecule_from_chain(selected_chain='L', - exclude_terminal_rotamers=False) - assert compare_molecules(molecule, Molecule( + molecules = \ + PDBreader.get_molecules_from_chain(selected_chain='L', + exclude_terminal_rotamers=False) + assert len(molecules) == 1, 'Unexpected number of molecules' + assert compare_molecules(molecules[0], Molecule( PATH_LIGAND_PDB, exclude_terminal_rotamers=False)) is True # Test rotamer_resolution flag PDBreader = PDBFile(PATH_COMPLEX_PDB) - molecule = PDBreader.get_molecule_from_chain(selected_chain='L', - rotamer_resolution=10) - assert compare_molecules(molecule, + molecules = PDBreader.get_molecules_from_chain(selected_chain='L', + rotamer_resolution=10) + assert compare_molecules(molecules[0], Molecule(PATH_LIGAND_PDB, rotamer_resolution=10)) is True # Test core_constraints flag PDBreader = PDBFile(PATH_COMPLEX_PDB) - molecule = PDBreader.get_molecule_from_chain(selected_chain='L', - core_constraints=[1,2]) - assert molecule.core_constraints == [1,2] + molecules = PDBreader.get_molecules_from_chain(selected_chain='L', + core_constraints=[1,2]) + assert len(molecules) == 1, 'Unexpected number of molecules' + assert molecules[0].core_constraints == [1,2] def test_get_hetero_molecules(self): @@ -834,10 +838,9 @@ def test_raise_errors(self): # The chain selected does not exist in the PDB file with pytest.raises(ValueError): PDBreader = PDBFile(PATH_COMPLEX_PDB) - _ = PDBreader.get_molecule_from_chain(selected_chain='F') + _ = PDBreader.get_molecules_from_chain(selected_chain='F') # The chain selected is not an hetero molecule with pytest.raises(ValueError): PDBreader = PDBFile(PATH_COMPLEX_PDB) - _ = PDBreader.get_molecule_from_chain(selected_chain='A') - + _ = PDBreader.get_molecules_from_chain(selected_chain='A') diff --git a/peleffy/utils/input.py b/peleffy/utils/input.py index 77455f71..c8404355 100644 --- a/peleffy/utils/input.py +++ b/peleffy/utils/input.py @@ -38,14 +38,16 @@ def __init__(self, path): >>> molecule = PDBreader.get_molecule_from_chain(selected_chain = 'L') """ - self.pdb_content = open(path, 'r').readlines() + with open(path, 'r') as pdb_file: + self.pdb_content = pdb_file.readlines() - def _extract_molecule_from_chain(self, chain, rotamer_resolution, + def _extract_molecules_from_chain(self, chain, rotamer_resolution, exclude_terminal_rotamers, allow_undefined_stereo, core_constraints): """ - It extracts a peleffy.topology.Molecule object selected by the chain. + It extracts all hetero molecules found in the selected the chain + of a PDB file. Parameters ---------- @@ -69,8 +71,8 @@ def _extract_molecule_from_chain(self, chain, rotamer_resolution, Returns ------- - molecule : list[peleffy.topology.Molecule object] - Selected molecules. + molecules : list[peleffy.topology.Molecule object] + Selected molecules """ from peleffy.topology.molecule import Molecule @@ -106,10 +108,12 @@ def _extract_molecule_from_chain(self, chain, rotamer_resolution, exclude_terminal_rotamers=exclude_terminal_rotamers, allow_undefined_stereo=allow_undefined_stereo, core_constraints=core_constraints)) - except Exception: + except Exception as e: log = Logger() - log.warning(' - Skipping {} from chain {}.' - .format(list(res_name)[0], chain)) + log.warning(' - Skipping {} '.format(list(res_name)[0]) + + 'from chain {}'.format(chain)) + log.warning(' - The following exception was raised: ' + + '{}'.format(e)) return molecules @@ -135,10 +139,10 @@ def get_hetero_molecules(self, rotamer_resolution=30, to be defined or try to assign the stereochemistry and raise a complaint if not possible. Default is False ligand_core_constraints : list[int or str] - It defines the list of atoms to constrain in the core of the ligand, - thus, the core will be forced to contain them. - Atoms can be specified through integers that match the atom index or - strings that match with the atom PDB name + It defines the list of atoms to constrain in the core of the + ligand, thus, the core will be forced to contain them. + Atoms can be specified through integers that match the atom index + or strings that match with the atom PDB name ligand_resname : str Residue name of the ligand. Default is None @@ -163,23 +167,24 @@ def get_hetero_molecules(self, rotamer_resolution=30, d[chain] = {'Residues names': resnames, 'Core constraints': core_constraints} - molecules = [self._extract_molecule_from_chain( + molecules = [self._extract_molecules_from_chain( chain=chain_id, rotamer_resolution=rotamer_resolution, exclude_terminal_rotamers=exclude_terminal_rotamers, allow_undefined_stereo=allow_undefined_stereo, core_constraints=d[chain_id]['Core constraints']) for chain_id in chain_ids] + return sum(molecules, []) - def get_molecule_from_chain(self, selected_chain, rotamer_resolution=30, - exclude_terminal_rotamers=True, - allow_undefined_stereo=False, - core_constraints=[]): + def get_molecules_from_chain(self, selected_chain, rotamer_resolution=30, + exclude_terminal_rotamers=True, + allow_undefined_stereo=False, + core_constraints=[]): """ - It selects a molecule from a chain. It handles the possibles error when - selecting the chain for a PDB, and if any it returns the molecule as a - peleffy.topology.Molecule object. + It returns all hetero molecule defined in a specific chain from the + PDB file. It handles the possible errors when selecting the chain + for a PDB. Parameters ---------- @@ -198,35 +203,34 @@ def get_molecule_from_chain(self, selected_chain, rotamer_resolution=30, Returns ------- - molecule : a peleffy.topology.Molecule - The peleffy's Molecule object corresponding to the selected chain. + molecule : list[peleffy.topology.Molecule] + The list of peleffy's Molecule object corresponding to the + selected chain """ chain_ids = set([line[21:22] for line in self.pdb_content if line.startswith('HETATM') and not line[17:20].strip() == 'HOH']) + all_chain_ids = set([line[21:22] for line in self.pdb_content if line.startswith('ATOM') or line.startswith('HETATM')]) + if not selected_chain in all_chain_ids: - raise ValueError('The selected chain {}'.format(selected_chain) + - ' is not a valid chain for this PDB. Available' + - ' chains to select are: {}'.format(chain_ids)) + raise ValueError('The selected chain {} '.format(selected_chain) + + 'is not a valid chain for this PDB. Available ' + + 'chains to select are: {}'.format(chain_ids)) + if not selected_chain in chain_ids and selected_chain in all_chain_ids: - raise ValueError('The selected chain {}'.format(selected_chain) + - ' is not a hetero molecule. Peleffy' + - ' is only compatible with hetero atoms.') - molecules = self._extract_molecule_from_chain( + raise ValueError('The selected chain {} '.format(selected_chain) + + 'is not an hetero molecule. Peleffy ' + + 'is only compatible with hetero atoms.') + + molecules = self._extract_molecules_from_chain( chain=selected_chain, rotamer_resolution=rotamer_resolution, exclude_terminal_rotamers=exclude_terminal_rotamers, allow_undefined_stereo=allow_undefined_stereo, core_constraints=core_constraints) - if len(molecules) == 1: - return molecules[0] - else: - log = Logger() - log.warning(' - This chain contains more than one molecule.' + - ' A list of molecules is returned.') - return molecules + return molecules